USER MOD reduce.3.24.130724 H: found=0, std=0, add=2944, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZH TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 113) 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 5PZH 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. 1.63 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) : 1.63 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.53 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.9 REMARK 3 NUMBER OF REFLECTIONS : 55095 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) : 0.176 REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : 0.206 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2897 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) : 1.63 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.67 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4038 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.34 REMARK 3 BIN R VALUE (WORKING SET) : 0.2860 REMARK 3 BIN FREE R VALUE SET COUNT : 210 REMARK 3 BIN FREE R VALUE : 0.2940 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) : 33.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.00000 REMARK 3 B22 (A**2) : 0.12000 REMARK 3 B33 (A**2) : 0.77000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.07000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.087 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.088 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.070 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.162 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.971 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.963 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.023 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.971 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.117 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.241 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.596 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.281 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;14.690 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.139 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.749 ; 3.049 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.749 ; 3.044 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.796 ; 4.548 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 5PZH 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_1001401307. 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 : 57992 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 REMARK 200 RESOLUTION RANGE LOW (A) : 28.530 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 3.500 REMARK 200 R MERGE (I) : 0.05200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.67 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.8 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.71600 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 (%): 55.52 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.77 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 63.94350 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.72550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.94350 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.72550 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B1053 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 700 REMARK 465 LYS A 879 REMARK 465 THR B 877 REMARK 465 SER B 878 REMARK 465 LYS B 879 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 737 CG CD CE NZ REMARK 470 GLU B 700 CG CD OE1 OE2 REMARK 470 GLU B 756 CG CD OE1 OE2 REMARK 470 SER B 757 OG REMARK 470 GLN B 758 CG CD OE1 NE2 REMARK 470 SER B 759 OG REMARK 470 ARG B 803 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 804 CG CD OE1 OE2 REMARK 470 SER B 806 OG REMARK 470 GLN B 807 CG CD OE1 NE2 REMARK 470 GLU B 876 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 803 O HOH A 1001 1.82 REMARK 500 NH1 ARG A 803 O HOH A 1002 2.03 REMARK 500 NH1 ARG A 829 O HOH A 1003 2.03 REMARK 500 O2 EDO B 903 O HOH B 1001 2.08 REMARK 500 O HOH A 1147 O HOH A 1230 2.10 REMARK 500 O HOH A 1175 O HOH A 1230 2.10 REMARK 500 O HOH A 1224 O HOH A 1260 2.10 REMARK 500 O HOH A 1227 O HOH A 1235 2.13 REMARK 500 O HOH A 1107 O HOH A 1210 2.13 REMARK 500 OH TYR B 801 O HOH B 1002 2.16 REMARK 500 O HOH B 1008 O HOH B 1012 2.18 REMARK 500 O HOH A 1010 O HOH A 1069 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 1228 O HOH B 1228 2555 0.61 REMARK 500 O HOH A 1102 O HOH A 1210 1565 2.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 CYS A 742 CB CYS A 742 SG -0.120 REMARK 500 GLU A 763 CD GLU A 763 OE1 -0.067 REMARK 500 GLU B 780 CD GLU B 780 OE2 0.093 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. = 7.5 DEGREES REMARK 500 ARG A 803 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG A 803 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -5.3 DEGREES REMARK 500 ASP A 851 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG B 829 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG B 855 NE - CZ - NH2 ANGL. DEV. = -3.2 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 -130.58 -112.39 REMARK 500 LYS A 737 87.92 69.09 REMARK 500 ASN A 802 87.42 -151.68 REMARK 500 ARG A 849 -114.34 54.40 REMARK 500 ASN B 738 108.81 -166.44 REMARK 500 CYS B 754 86.27 -155.36 REMARK 500 SER B 757 -168.61 -54.76 REMARK 500 GLN B 758 37.92 -67.19 REMARK 500 TYR B 801 -96.54 -112.05 REMARK 500 GLU B 804 -79.89 -135.99 REMARK 500 ARG B 849 -112.73 48.30 REMARK 500 GLN B 875 136.72 -37.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 PRO B 755 GLU B 756 148.21 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 A1312 DISTANCE = 6.20 ANGSTROMS REMARK 525 HOH A1313 DISTANCE = 6.27 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.02 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH B1266 DISTANCE = 6.78 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 112.7 REMARK 620 3 HIS A 725 ND1 100.8 97.3 REMARK 620 4 CYS A 728 SG 110.0 118.3 115.9 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 108.1 REMARK 620 3 CYS A 742 SG 111.6 106.2 REMARK 620 4 CYS A 745 SG 102.9 109.3 118.4 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 CYS A 754 SG 51.9 REMARK 620 3 GLU A 756 OE2 125.0 73.7 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 705 SG REMARK 620 2 CYS B 708 SG 114.2 REMARK 620 3 HIS B 725 ND1 100.0 96.6 REMARK 620 4 CYS B 728 SG 110.0 117.9 116.2 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 109.2 REMARK 620 3 CYS B 742 SG 112.9 107.4 REMARK 620 4 CYS B 745 SG 105.7 105.5 115.8 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 5PZH A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZH B 700 879 UNP P23497 SP100_HUMAN 700 879 SEQRES 1 A 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 A 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 A 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 A 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 A 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 A 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 A 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 A 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 A 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 A 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 A 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 A 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 A 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 A 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS SEQRES 1 B 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 B 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 B 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 B 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 B 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 B 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 B 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 B 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 B 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 B 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 B 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 B 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 B 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 B 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS HET ZN A 901 1 HET ZN A 902 1 HET ZN A 903 1 HET MES A 904 12 HET EDO A 905 4 HET ZN B 901 1 HET ZN B 902 1 HET EDO B 903 4 HETNAM ZN ZINC ION HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN 5(ZN 2+) FORMUL 6 MES C6 H13 N O4 S FORMUL 7 EDO 2(C2 H6 O2) FORMUL 11 HOH *579(H2 O) HELIX 1 AA1 CYS A 742 CYS A 754 1 13 HELIX 2 AA2 PRO A 755 SER A 759 5 5 HELIX 3 AA3 GLN A 762 ARG A 769 1 8 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 GLU B 752 1 11 HELIX 11 AB2 GLN B 762 MET B 768 1 7 HELIX 12 AB3 LEU B 772 ASP B 789 1 18 HELIX 13 AB4 SER B 792 SER B 797 1 6 HELIX 14 AB5 TRP B 814 GLU B 824 1 11 HELIX 15 AB6 ARG B 829 ARG B 849 1 21 HELIX 16 AB7 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 PHE A 715 CYS A 716 0 SHEET 2 AA1 2 SER A 723 PHE A 724 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 PHE B 715 CYS B 716 0 SHEET 2 AA2 2 SER B 723 PHE B 724 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.31 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.32 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.27 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.25 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.17 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.28 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.38 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.37 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.52 LINK SG BCYS A 754 ZN ZN A 903 1555 1555 2.86 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 1.96 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.30 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.30 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.21 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.33 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.15 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.30 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.36 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.36 CISPEP 1 ILE A 730 PRO A 731 0 -12.59 CISPEP 2 ASN A 738 PRO A 739 0 -6.82 CISPEP 3 ILE B 730 PRO B 731 0 -17.20 CISPEP 4 ASN B 738 PRO B 739 0 10.84 CISPEP 5 ARG B 803 GLU B 804 0 -10.30 SITE *** AC1 4 CYS A 705 CYS A 708 HIS A 725 CYS A 728 SITE *** AC2 4 CYS A 717 CYS A 720 CYS A 742 CYS A 745 SITE *** AC3 2 CYS A 754 GLU A 756 SITE *** AC4 13 ASN A 802 ARG A 803 TYR A 848 HOH A1045 SITE *** AC4 13 HOH A1061 HOH A1102 HOH A1167 HOH A1175 SITE *** AC4 13 HOH A1230 ARG B 753 PRO B 773 GLU B 774 SITE *** AC4 13 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1018 SITE *** AC5 6 HOH A1122 HOH A1235 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 ARG B 746 HOH B1001 HOH B1026 SITE *** AC8 6 HOH B1030 HOH B1138 CRYST1 127.887 45.451 83.709 90.00 102.21 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 0.007819 0.000000 0.001691 0.00000 SCALE2 0.000000 0.022002 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012222 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 NoAdj-H: A 904 MES HN4 : A 904 MES N4 : A 904 MES C3 :(H bumps) USER MOD Set 1.1: B 762 GLN : amide:sc= -0.0688 X(o=-0.069,f=-0.56) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.069,f=-0.21) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 169:sc= 0.541 (180deg=0) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.49 K(o=1,f=-3.7) USER MOD Set 3.1: B 842 HIS : no HD1:sc= -0.0311 X(o=2.1,f=2.1) USER MOD Set 3.2: B 843 ASN : amide:sc= 2.17 K(o=2.1,f=-0.022) USER MOD Set 4.1: B 813 MET CE :methyl 148:sc= -0.502 (180deg=-0.922) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -151:sc=-0.00156 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot 7:sc= 1.32 USER MOD Set 5.2: B 816 ASN : amide:sc= 1.32 X(o=2.6,f=2.2) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -167:sc= 0.719 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.51 K(o=2.2,f=-2.6) USER MOD Set 7.1: B 771 MET CE :methyl 179:sc= 0 (180deg=-0.000497) USER MOD Set 7.2: B 779 CYS SG : rot 139:sc= 0.173 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.671 K(o=1.5,f=-1.8) USER MOD Set 8.2: B 732 SER OG : rot -125:sc= 0.817 USER MOD Set 9.1: B 716 CYS SG A: rot -60:sc= 0.205 USER MOD Set 9.2: B 723 SER OG : rot 142:sc= 1.2 USER MOD Set10.1: B 719 THR OG1 : rot 83:sc= 2.26 USER MOD Set10.2: B 741 SER OG : rot -81:sc= 1.27 USER MOD Set11.1: A 791 LYS NZ :NH3+ -174:sc= 2.01 (180deg=1.25) USER MOD Set11.2: A 859 GLN : amide:sc= 0.541 K(o=2.5,f=-3.2!) USER MOD Set12.1: A 787 TYR OH : rot -5:sc= 1.28 USER MOD Set12.2: A 816 ASN : amide:sc= 1.62 X(o=2.9,f=2.5) USER MOD Set13.1: A 771 MET CE :methyl 172:sc= 0 (180deg=-0.0586) USER MOD Set13.2: A 779 CYS SG : rot -101:sc= 0.329 USER MOD Set14.1: A 727 HIS : no HD1:sc= 1.02 K(o=2.3,f=-4.3!) USER MOD Set14.2: A 732 SER OG : rot -118:sc= 1.27 USER MOD Set15.1: A 719 THR OG1 : rot 82:sc= 2.52 USER MOD Set15.2: A 741 SER OG : rot -47:sc= 1.18 USER MOD Set16.1: A 716 CYS SG : rot -45:sc= -0.286 USER MOD Set16.2: A 723 SER OG : rot 142:sc= 1.24 USER MOD Single : A 701 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.52) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 709 ASN : amide:sc= 0.346 X(o=0.35,f=0.025) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.85 K(o=1.8,f=-9!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 738 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.3!) USER MOD Single : A 748 LYS NZ :NH3+ -177:sc= -0.0147 (180deg=-0.0205) USER MOD Single : A 749 THR OG1 : rot 77:sc= 0.0605 USER MOD Single : A 751 GLN : amide:sc= 0.19 X(o=0.19,f=-0.11) USER MOD Single : A 754 CYS SG B: rot 43:sc= -0.179 USER MOD Single : A 757 SER OG : rot -84:sc= 1.04 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 759 SER OG : rot 177:sc= 1.16 USER MOD Single : A 761 HIS : no HE2:sc= -0.827 K(o=-0.83,f=-1.7) USER MOD Single : A 762 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 764 SER OG : rot -83:sc= 0.0802 USER MOD Single : A 768 MET CE :methyl 174:sc= -0.0304 (180deg=-0.104) USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 776 GLN : amide:sc= 2.42 K(o=2.4,f=-0.27) USER MOD Single : A 778 LYS NZ A:NH3+ 136:sc= -0.342 (180deg=-0.845) 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 64:sc= 0.0488 USER MOD Single : A 790 SER OG : rot -77:sc= 0 USER MOD Single : A 792 SER OG : rot -82:sc= 1.67 USER MOD Single : A 793 CYS SG : rot -85:sc=-0.00175 USER MOD Single : A 797 SER OG : rot 104:sc= 0.793 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 31:sc= 2.39 USER MOD Single : A 802 ASN : amide:sc= -0.0698 K(o=-0.07,f=-2.3!) USER MOD Single : A 806 SER OG : rot -153:sc= 1.84 USER MOD Single : A 807 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.91) USER MOD Single : A 810 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 811 LYS NZ :NH3+ -148:sc= 0.555 (180deg=0.224) USER MOD Single : A 813 MET CE :methyl 168:sc= 0 (180deg=-0.219) USER MOD Single : A 817 LYS NZ :NH3+ 141:sc= -0.0375 (180deg=-0.479) USER MOD Single : A 819 LYS NZ :NH3+ 179:sc= 0.385 (180deg=0.385) USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 821 SER OG : rot 76:sc= 1.25 USER MOD Single : A 823 ASN : amide:sc= 0.561 K(o=0.56,f=-2.1!) USER MOD Single : A 825 GLN : amide:sc= 0.82 X(o=0.82,f=0.61) USER MOD Single : A 826 MET CE A:methyl -160:sc= -0.178 (180deg=-0.596) USER MOD Single : A 826 MET CE B:methyl -141:sc= -4.58! (180deg=-4.94!) USER MOD Single : A 827 TYR OH : rot -15:sc= 1.28 USER MOD Single : A 828 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 GLN : amide:sc= 1.04 K(o=1,f=-0.45) USER MOD Single : A 837 MET CE :methyl -170:sc= 0 (180deg=-0.0854) USER MOD Single : A 842 HIS : no HE2:sc= 1.79 K(o=1.8,f=-5.8!) USER MOD Single : A 843 ASN : amide:sc= 2.86 K(o=2.9,f=0.94) USER MOD Single : A 844 HIS : no HD1:sc= 1.66 K(o=1.7,f=-4.9!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 TYR OH : rot 30:sc= 0.871 USER MOD Single : A 852 LYS NZ :NH3+ -168:sc= 0.867 (180deg=0.684) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -77:sc= 0.109 USER MOD Single : A 861 GLN : amide:sc= 0.212 K(o=0.21,f=-0.32) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.45 K(o=2.4,f=1.1) USER MOD Single : A 870 ASN : amide:sc= 1.05 K(o=1,f=0.19) USER MOD Single : A 875 GLN : amide:sc= 0.159 X(o=0.16,f=-0.054) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 905 EDO O1 : rot -62:sc= 1.12 USER MOD Single : A 905 EDO O2 : rot 86:sc= 1.41 USER MOD Single : B 701 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.6) USER MOD Single : B 702 SER OG : rot 180:sc= 0.0785 USER MOD Single : B 703 ASN : amide:sc= 0.364 K(o=0.36,f=-5!) USER MOD Single : B 709 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 12:sc= 0.372 USER MOD Single : B 729 HIS : no HE2:sc= 1.78 K(o=1.8,f=-7.5!) USER MOD Single : B 736 ASN : amide:sc= -0.141 K(o=-0.14,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 X(o=0,f=-0.096) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 85:sc= 0.198 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.201 K(o=0.2,f=-0.89) 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 -169:sc= -0.324 (180deg=-0.52) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 776 GLN : amide:sc= 2.15 K(o=2.1,f=-0.52) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 70:sc= 0.0841 USER MOD Single : B 790 SER OG : rot -108:sc= 0.00193 USER MOD Single : B 792 SER OG : rot -82:sc= 1.71 USER MOD Single : B 793 CYS SG : rot -81:sc= 0.0254 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.871 USER MOD Single : B 801 TYR OH : rot -25:sc= 1.83 USER MOD Single : B 802 ASN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : B 810 GLN : amide:sc= 0.676 K(o=0.68,f=-0.033) USER MOD Single : B 811 LYS NZ :NH3+ -174:sc= 0.0971 (180deg=0.0901) USER MOD Single : B 819 LYS NZ :NH3+ -167:sc= 0.415 (180deg=0.32) USER MOD Single : B 820 THR OG1 : rot 79:sc= 0.884 USER MOD Single : B 821 SER OG : rot 76:sc= 0.238 USER MOD Single : B 823 ASN : amide:sc= 2.23 X(o=2.2,f=1.9) USER MOD Single : B 825 GLN : amide:sc= 1.4 K(o=1.4,f=-2.8!) USER MOD Single : B 826 MET CE A:methyl -176:sc= 0 (180deg=-0.0181) USER MOD Single : B 826 MET CE B:methyl 173:sc= -0.126 (180deg=-0.203) USER MOD Single : B 827 TYR OH : rot 9:sc= 1.31 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 837 MET CE :methyl -175:sc= 0 (180deg=-0.0212) USER MOD Single : B 844 HIS : no HD1:sc= 1.22 K(o=1.2,f=-5!) USER MOD Single : B 845 LYS NZ :NH3+ 179:sc=-0.00114 (180deg=-0.00217) USER MOD Single : B 848 TYR OH : rot 30:sc= 1.07 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 -79:sc= 1.29 USER MOD Single : B 861 GLN : amide:sc= 0.746 K(o=0.75,f=-0.41) USER MOD Single : B 866 LYS NZ :NH3+ -173:sc= 1.08 (180deg=0.941) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 77:sc= 1.61 USER MOD Single : B 903 EDO O2 : rot -26:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.550 -4.970 -4.054 1.00 59.04 N ATOM 2 CA ASN A 701 15.100 -4.056 -2.996 1.00 62.66 C ATOM 3 C ASN A 701 14.049 -3.070 -2.475 1.00 60.55 C ATOM 4 O ASN A 701 13.118 -2.724 -3.187 1.00 52.90 O ATOM 5 CB ASN A 701 16.323 -3.280 -3.507 1.00 66.57 C ATOM 6 CG ASN A 701 17.563 -4.138 -3.582 1.00 76.02 C ATOM 7 OD1 ASN A 701 17.840 -4.714 -4.623 1.00 88.00 O ATOM 8 ND2 ASN A 701 18.320 -4.230 -2.479 1.00 72.99 N ATOM 0 HA ASN A 701 15.370 -4.627 -2.260 1.00 62.66 H new ATOM 0 HB2 ASN A 701 16.129 -2.920 -4.386 1.00 66.57 H new ATOM 0 HB3 ASN A 701 16.491 -2.525 -2.922 1.00 66.57 H new ATOM 0 HD21 ASN A 701 19.034 -4.710 -2.486 1.00 72.99 H new ATOM 0 HD22 ASN A 701 18.092 -3.809 -1.765 1.00 72.99 H new ATOM 9 N SER A 702 14.212 -2.618 -1.231 1.00 53.10 N ATOM 10 CA SER A 702 13.405 -1.535 -0.676 1.00 49.95 C ATOM 11 C SER A 702 13.629 -0.254 -1.506 1.00 45.48 C ATOM 12 O SER A 702 14.697 -0.065 -2.100 1.00 44.38 O ATOM 13 CB SER A 702 13.793 -1.304 0.810 1.00 48.17 C ATOM 14 OG SER A 702 12.962 -0.341 1.478 1.00 44.23 O ATOM 0 H SER A 702 14.797 -2.933 -0.685 1.00 53.10 H new ATOM 0 HA SER A 702 12.465 -1.771 -0.714 1.00 49.95 H new ATOM 0 HB2 SER A 702 13.742 -2.148 1.285 1.00 48.17 H new ATOM 0 HB3 SER A 702 14.716 -1.009 0.853 1.00 48.17 H new ATOM 0 HG SER A 702 13.215 -0.257 2.275 1.00 44.23 H new ATOM 15 N ASN A 703 12.611 0.620 -1.511 1.00 44.14 N ATOM 16 CA ASN A 703 12.611 1.915 -2.220 1.00 49.39 C ATOM 17 C ASN A 703 12.830 3.090 -1.292 1.00 42.12 C ATOM 18 O ASN A 703 12.764 4.229 -1.739 1.00 40.08 O ATOM 19 CB ASN A 703 11.241 2.179 -2.919 1.00 54.24 C ATOM 20 CG ASN A 703 10.749 0.992 -3.698 1.00 74.85 C ATOM 21 OD1 ASN A 703 11.545 0.239 -4.290 1.00 94.03 O ATOM 22 ND2 ASN A 703 9.433 0.797 -3.702 1.00 87.64 N ATOM 0 H ASN A 703 11.877 0.471 -1.088 1.00 44.14 H new ATOM 0 HA ASN A 703 13.337 1.847 -2.859 1.00 49.39 H new ATOM 0 HB2 ASN A 703 10.581 2.418 -2.249 1.00 54.24 H new ATOM 0 HB3 ASN A 703 11.328 2.939 -3.515 1.00 54.24 H new ATOM 0 HD21 ASN A 703 9.099 0.128 -4.126 1.00 87.64 H new ATOM 0 HD22 ASN A 703 8.917 1.340 -3.281 1.00 87.64 H new ATOM 23 N ILE A 704 13.140 2.825 0.001 1.00 36.42 N ATOM 24 CA ILE A 704 13.580 3.892 0.898 1.00 34.20 C ATOM 25 C ILE A 704 14.928 3.461 1.572 1.00 29.15 C ATOM 26 O ILE A 704 15.193 2.287 1.667 1.00 31.96 O ATOM 27 CB ILE A 704 12.472 4.286 1.916 1.00 35.41 C ATOM 28 CG1 ILE A 704 11.993 3.108 2.745 1.00 38.43 C ATOM 29 CG2 ILE A 704 11.233 4.836 1.158 1.00 39.97 C ATOM 30 CD1 ILE A 704 10.994 3.454 3.839 1.00 41.82 C ATOM 0 H ILE A 704 13.099 2.045 0.360 1.00 36.42 H new ATOM 0 HA ILE A 704 13.745 4.702 0.391 1.00 34.20 H new ATOM 0 HB ILE A 704 12.866 4.950 2.503 1.00 35.41 H new ATOM 0 HG12 ILE A 704 11.589 2.456 2.152 1.00 38.43 H new ATOM 0 HG13 ILE A 704 12.763 2.682 3.152 1.00 38.43 H new ATOM 0 HG21 ILE A 704 10.545 5.080 1.797 1.00 39.97 H new ATOM 0 HG22 ILE A 704 11.489 5.618 0.644 1.00 39.97 H new ATOM 0 HG23 ILE A 704 10.890 4.154 0.559 1.00 39.97 H new ATOM 0 HD11 ILE A 704 10.744 2.647 4.316 1.00 41.82 H new ATOM 0 HD12 ILE A 704 11.397 4.083 4.458 1.00 41.82 H new ATOM 0 HD13 ILE A 704 10.204 3.853 3.442 1.00 41.82 H new ATOM 31 N CYS A 705 15.731 4.445 1.916 1.00 28.07 N ATOM 32 CA CYS A 705 16.915 4.250 2.788 1.00 26.84 C ATOM 33 C CYS A 705 16.572 3.567 4.122 1.00 26.21 C ATOM 34 O CYS A 705 15.699 4.014 4.847 1.00 25.01 O ATOM 35 CB CYS A 705 17.597 5.571 2.998 1.00 26.50 C ATOM 36 SG CYS A 705 19.143 5.523 4.049 1.00 25.75 S ATOM 0 H CYS A 705 15.620 5.258 1.658 1.00 28.07 H new ATOM 0 HA CYS A 705 17.523 3.642 2.338 1.00 26.84 H new ATOM 0 HB2 CYS A 705 17.826 5.940 2.131 1.00 26.50 H new ATOM 0 HB3 CYS A 705 16.965 6.182 3.408 1.00 26.50 H new ATOM 37 N GLU A 706 17.365 2.532 4.492 1.00 25.09 N ATOM 38 CA GLU A 706 17.142 1.776 5.689 1.00 27.85 C ATOM 39 C GLU A 706 17.372 2.635 6.949 1.00 22.49 C ATOM 40 O GLU A 706 16.750 2.376 7.890 1.00 23.61 O ATOM 41 CB GLU A 706 18.126 0.588 5.745 1.00 30.31 C ATOM 42 CG GLU A 706 17.889 -0.356 6.869 1.00 35.27 C ATOM 43 CD GLU A 706 16.773 -1.331 6.601 1.00 39.69 C ATOM 44 OE1 GLU A 706 16.073 -1.246 5.566 1.00 50.80 O ATOM 45 OE2 GLU A 706 16.634 -2.230 7.408 1.00 41.25 O ATOM 0 H GLU A 706 18.044 2.269 4.035 1.00 25.09 H new ATOM 0 HA GLU A 706 16.222 1.469 5.671 1.00 27.85 H new ATOM 0 HB2 GLU A 706 18.072 0.098 4.909 1.00 30.31 H new ATOM 0 HB3 GLU A 706 19.030 0.934 5.813 1.00 30.31 H new ATOM 0 HG2 GLU A 706 18.705 -0.849 7.047 1.00 35.27 H new ATOM 0 HG3 GLU A 706 17.683 0.150 7.670 1.00 35.27 H new ATOM 46 N VAL A 707 18.229 3.612 6.854 1.00 22.97 N ATOM 47 CA VAL A 707 18.642 4.463 7.994 1.00 21.47 C ATOM 48 C VAL A 707 17.667 5.600 8.240 1.00 25.14 C ATOM 49 O VAL A 707 17.095 5.719 9.338 1.00 23.49 O ATOM 50 CB VAL A 707 20.063 5.044 7.837 1.00 20.57 C ATOM 51 CG1 VAL A 707 20.497 5.812 9.079 1.00 22.24 C ATOM 52 CG2 VAL A 707 21.077 3.890 7.610 1.00 23.78 C ATOM 0 H VAL A 707 18.612 3.825 6.114 1.00 22.97 H new ATOM 0 HA VAL A 707 18.642 3.868 8.760 1.00 21.47 H new ATOM 0 HB VAL A 707 20.046 5.649 7.079 1.00 20.57 H new ATOM 0 HG11 VAL A 707 21.392 6.163 8.947 1.00 22.24 H new ATOM 0 HG12 VAL A 707 19.883 6.546 9.237 1.00 22.24 H new ATOM 0 HG13 VAL A 707 20.493 5.217 9.845 1.00 22.24 H new ATOM 0 HG21 VAL A 707 21.969 4.258 7.512 1.00 23.78 H new ATOM 0 HG22 VAL A 707 21.058 3.288 8.370 1.00 23.78 H new ATOM 0 HG23 VAL A 707 20.838 3.403 6.806 1.00 23.78 H new ATOM 53 N CYS A 708 17.428 6.409 7.216 1.00 25.38 N ATOM 54 CA CYS A 708 16.652 7.676 7.383 1.00 25.93 C ATOM 55 C CYS A 708 15.202 7.580 6.835 1.00 30.82 C ATOM 56 O CYS A 708 14.452 8.538 6.988 1.00 29.99 O ATOM 57 CB CYS A 708 17.416 8.798 6.771 1.00 25.69 C ATOM 58 SG CYS A 708 17.317 8.799 4.943 1.00 26.93 S ATOM 0 H CYS A 708 17.697 6.260 6.413 1.00 25.38 H new ATOM 0 HA CYS A 708 16.545 7.845 8.332 1.00 25.93 H new ATOM 0 HB2 CYS A 708 17.076 9.640 7.111 1.00 25.69 H new ATOM 0 HB3 CYS A 708 18.346 8.738 7.042 1.00 25.69 H new ATOM 59 N ASN A 709 14.858 6.473 6.181 1.00 27.32 N ATOM 60 CA ASN A 709 13.513 6.175 5.739 1.00 31.21 C ATOM 61 C ASN A 709 12.975 7.116 4.680 1.00 32.85 C ATOM 62 O ASN A 709 11.740 7.183 4.570 1.00 32.24 O ATOM 63 CB ASN A 709 12.555 6.159 6.927 1.00 32.21 C ATOM 64 CG ASN A 709 12.934 5.069 7.905 1.00 39.97 C ATOM 65 OD1 ASN A 709 13.446 5.321 8.996 1.00 43.56 O ATOM 66 ND2 ASN A 709 12.800 3.865 7.465 1.00 38.20 N ATOM 0 H ASN A 709 15.425 5.859 5.979 1.00 27.32 H new ATOM 0 HA ASN A 709 13.570 5.299 5.326 1.00 31.21 H new ATOM 0 HB2 ASN A 709 12.571 7.020 7.373 1.00 32.21 H new ATOM 0 HB3 ASN A 709 11.647 6.018 6.615 1.00 32.21 H new ATOM 0 HD21 ASN A 709 13.073 3.201 7.939 1.00 38.20 H new ATOM 0 HD22 ASN A 709 12.437 3.725 6.698 1.00 38.20 H new ATOM 67 N LYS A 710 13.877 7.799 3.955 1.00 30.62 N ATOM 68 CA LYS A 710 13.539 8.671 2.807 1.00 32.64 C ATOM 69 C LYS A 710 13.975 7.993 1.482 1.00 37.77 C ATOM 70 O LYS A 710 14.875 7.131 1.432 1.00 31.51 O ATOM 71 CB LYS A 710 14.259 9.980 2.932 1.00 29.64 C ATOM 72 CG LYS A 710 13.893 10.783 4.171 1.00 37.31 C ATOM 73 CD LYS A 710 12.482 11.304 4.115 1.00 43.62 C ATOM 74 CE LYS A 710 12.235 12.303 5.245 1.00 50.38 C ATOM 75 NZ LYS A 710 11.927 11.593 6.527 1.00 60.25 N ATOM 0 H LYS A 710 14.721 7.769 4.119 1.00 30.62 H new ATOM 0 HA LYS A 710 12.580 8.819 2.803 1.00 32.64 H new ATOM 0 HB2 LYS A 710 15.214 9.812 2.940 1.00 29.64 H new ATOM 0 HB3 LYS A 710 14.072 10.516 2.146 1.00 29.64 H new ATOM 0 HG2 LYS A 710 13.999 10.226 4.958 1.00 37.31 H new ATOM 0 HG3 LYS A 710 14.507 11.528 4.265 1.00 37.31 H new ATOM 0 HD2 LYS A 710 12.323 11.730 3.258 1.00 43.62 H new ATOM 0 HD3 LYS A 710 11.856 10.566 4.185 1.00 43.62 H new ATOM 0 HE2 LYS A 710 13.017 12.865 5.362 1.00 50.38 H new ATOM 0 HE3 LYS A 710 11.498 12.888 5.010 1.00 50.38 H new ATOM 0 HZ1 LYS A 710 11.787 12.191 7.171 1.00 60.25 H new ATOM 0 HZ2 LYS A 710 11.198 11.093 6.422 1.00 60.25 H new ATOM 0 HZ3 LYS A 710 12.613 11.072 6.750 1.00 60.25 H new ATOM 76 N TRP A 711 13.312 8.363 0.379 1.00 33.21 N ATOM 77 CA TRP A 711 13.749 7.986 -0.934 1.00 30.67 C ATOM 78 C TRP A 711 14.847 8.957 -1.338 1.00 28.42 C ATOM 79 O TRP A 711 15.250 9.854 -0.562 1.00 34.79 O ATOM 80 CB TRP A 711 12.519 7.919 -1.892 1.00 32.56 C ATOM 81 CG TRP A 711 12.796 7.647 -3.278 1.00 32.87 C ATOM 82 CD1 TRP A 711 13.099 6.454 -3.807 1.00 33.68 C ATOM 83 CD2 TRP A 711 12.789 8.584 -4.363 1.00 32.19 C ATOM 84 NE1 TRP A 711 13.330 6.573 -5.154 1.00 38.12 N ATOM 85 CE2 TRP A 711 13.123 7.869 -5.516 1.00 30.50 C ATOM 86 CE3 TRP A 711 12.528 9.955 -4.470 1.00 30.21 C ATOM 87 CZ2 TRP A 711 13.202 8.472 -6.777 1.00 36.75 C ATOM 88 CZ3 TRP A 711 12.601 10.534 -5.722 1.00 32.33 C ATOM 89 CH2 TRP A 711 12.916 9.791 -6.847 1.00 27.64 C ATOM 0 H TRP A 711 12.597 8.840 0.389 1.00 33.21 H new ATOM 0 HA TRP A 711 14.133 7.096 -0.971 1.00 30.67 H new ATOM 0 HB2 TRP A 711 11.916 7.234 -1.563 1.00 32.56 H new ATOM 0 HB3 TRP A 711 12.046 8.764 -1.837 1.00 32.56 H new ATOM 0 HD1 TRP A 711 13.146 5.658 -3.329 1.00 33.68 H new ATOM 0 HE1 TRP A 711 13.566 5.936 -5.681 1.00 38.12 H new ATOM 0 HE3 TRP A 711 12.312 10.461 -3.720 1.00 30.21 H new ATOM 0 HZ2 TRP A 711 13.441 7.986 -7.533 1.00 36.75 H new ATOM 0 HZ3 TRP A 711 12.435 11.445 -5.811 1.00 32.33 H new ATOM 0 HH2 TRP A 711 12.931 10.212 -7.676 1.00 27.64 H new ATOM 90 N GLY A 712 15.432 8.716 -2.514 1.00 30.47 N ATOM 91 CA GLY A 712 16.442 9.561 -3.058 1.00 28.53 C ATOM 92 C GLY A 712 17.348 8.685 -3.952 1.00 27.58 C ATOM 93 O GLY A 712 16.915 7.672 -4.512 1.00 31.44 O ATOM 0 H GLY A 712 15.237 8.042 -3.011 1.00 30.47 H new ATOM 0 HA2 GLY A 712 16.044 10.279 -3.575 1.00 28.53 H new ATOM 0 HA3 GLY A 712 16.959 9.975 -2.349 1.00 28.53 H new ATOM 94 N ARG A 713 18.570 9.123 -4.099 1.00 28.19 N ATOM 95 CA ARG A 713 19.669 8.333 -4.726 1.00 33.69 C ATOM 96 C ARG A 713 20.099 7.177 -3.797 1.00 33.79 C ATOM 97 O ARG A 713 20.753 7.394 -2.828 1.00 34.65 O ATOM 98 CB ARG A 713 20.827 9.259 -5.046 1.00 33.22 C ATOM 99 CG ARG A 713 22.035 8.642 -5.777 1.00 44.38 C ATOM 100 CD ARG A 713 21.653 7.971 -7.102 1.00 55.46 C ATOM 101 NE ARG A 713 22.660 7.040 -7.612 1.00 63.00 N ATOM 102 CZ ARG A 713 22.533 5.715 -7.743 1.00 62.71 C ATOM 103 NH1 ARG A 713 23.555 5.026 -8.226 1.00 67.72 N ATOM 104 NH2 ARG A 713 21.423 5.062 -7.408 1.00 66.65 N ATOM 0 H ARG A 713 18.818 9.904 -3.839 1.00 28.19 H new ATOM 0 HA ARG A 713 19.358 7.934 -5.553 1.00 33.69 H new ATOM 0 HB2 ARG A 713 20.488 9.989 -5.587 1.00 33.22 H new ATOM 0 HB3 ARG A 713 21.143 9.645 -4.214 1.00 33.22 H new ATOM 0 HG2 ARG A 713 22.692 9.335 -5.948 1.00 44.38 H new ATOM 0 HG3 ARG A 713 22.457 7.988 -5.199 1.00 44.38 H new ATOM 0 HD2 ARG A 713 20.817 7.494 -6.983 1.00 55.46 H new ATOM 0 HD3 ARG A 713 21.495 8.658 -7.768 1.00 55.46 H new ATOM 0 HE ARG A 713 23.412 7.380 -7.853 1.00 63.00 H new ATOM 0 HH11 ARG A 713 24.280 5.431 -8.448 1.00 67.72 H new ATOM 0 HH12 ARG A 713 23.494 4.173 -8.318 1.00 67.72 H new ATOM 0 HH21 ARG A 713 20.749 5.493 -7.093 1.00 66.65 H new ATOM 0 HH22 ARG A 713 21.380 4.209 -7.507 1.00 66.65 H new ATOM 105 N LEU A 714 19.685 5.972 -4.088 1.00 33.50 N ATOM 106 CA LEU A 714 19.874 4.843 -3.206 1.00 32.06 C ATOM 107 C LEU A 714 20.801 3.831 -3.900 1.00 42.28 C ATOM 108 O LEU A 714 20.741 3.629 -5.126 1.00 36.07 O ATOM 109 CB LEU A 714 18.579 4.131 -2.927 1.00 30.67 C ATOM 110 CG LEU A 714 17.452 4.922 -2.315 1.00 27.70 C ATOM 111 CD1 LEU A 714 16.188 4.132 -2.323 1.00 31.75 C ATOM 112 CD2 LEU A 714 17.825 5.380 -0.896 1.00 32.73 C ATOM 0 H LEU A 714 19.276 5.777 -4.819 1.00 33.50 H new ATOM 0 HA LEU A 714 20.244 5.176 -2.373 1.00 32.06 H new ATOM 0 HB2 LEU A 714 18.260 3.758 -3.763 1.00 30.67 H new ATOM 0 HB3 LEU A 714 18.772 3.385 -2.338 1.00 30.67 H new ATOM 0 HG LEU A 714 17.302 5.716 -2.852 1.00 27.70 H new ATOM 0 HD11 LEU A 714 15.476 4.657 -1.926 1.00 31.75 H new ATOM 0 HD12 LEU A 714 15.953 3.907 -3.237 1.00 31.75 H new ATOM 0 HD13 LEU A 714 16.312 3.317 -1.812 1.00 31.75 H new ATOM 0 HD21 LEU A 714 17.091 5.887 -0.516 1.00 32.73 H new ATOM 0 HD22 LEU A 714 18.003 4.604 -0.342 1.00 32.73 H new ATOM 0 HD23 LEU A 714 18.617 5.938 -0.934 1.00 32.73 H new ATOM 113 N PHE A 715 21.627 3.178 -3.087 1.00 37.93 N ATOM 114 CA PHE A 715 22.466 2.055 -3.482 1.00 35.86 C ATOM 115 C PHE A 715 21.907 0.795 -2.870 1.00 35.20 C ATOM 116 O PHE A 715 21.624 0.734 -1.673 1.00 39.95 O ATOM 117 CB PHE A 715 23.840 2.349 -3.020 1.00 35.85 C ATOM 118 CG PHE A 715 24.391 3.597 -3.592 1.00 40.94 C ATOM 119 CD1 PHE A 715 25.109 3.568 -4.806 1.00 43.18 C ATOM 120 CD2 PHE A 715 24.192 4.807 -2.972 1.00 46.14 C ATOM 121 CE1 PHE A 715 25.639 4.717 -5.332 1.00 48.69 C ATOM 122 CE2 PHE A 715 24.734 5.973 -3.499 1.00 48.39 C ATOM 123 CZ PHE A 715 25.460 5.927 -4.687 1.00 52.92 C ATOM 0 H PHE A 715 21.716 3.387 -2.258 1.00 37.93 H new ATOM 0 HA PHE A 715 22.483 1.924 -4.443 1.00 35.86 H new ATOM 0 HB2 PHE A 715 23.843 2.415 -2.052 1.00 35.85 H new ATOM 0 HB3 PHE A 715 24.420 1.608 -3.256 1.00 35.85 H new ATOM 0 HD1 PHE A 715 25.224 2.761 -5.254 1.00 43.18 H new ATOM 0 HD2 PHE A 715 23.689 4.846 -2.191 1.00 46.14 H new ATOM 0 HE1 PHE A 715 26.121 4.683 -6.126 1.00 48.69 H new ATOM 0 HE2 PHE A 715 24.612 6.783 -3.059 1.00 48.39 H new ATOM 0 HZ PHE A 715 25.822 6.706 -5.044 1.00 52.92 H new ATOM 124 N CYS A 716 21.719 -0.241 -3.666 1.00 34.36 N ATOM 125 CA CYS A 716 21.058 -1.422 -3.235 1.00 34.93 C ATOM 126 C CYS A 716 22.033 -2.521 -2.790 1.00 36.39 C ATOM 127 O CYS A 716 23.097 -2.665 -3.373 1.00 48.93 O ATOM 128 CB CYS A 716 20.148 -1.987 -4.330 1.00 47.21 C ATOM 129 SG CYS A 716 18.607 -1.060 -4.599 1.00 48.48 S ATOM 0 H CYS A 716 21.982 -0.265 -4.485 1.00 34.36 H new ATOM 0 HA CYS A 716 20.526 -1.156 -2.469 1.00 34.93 H new ATOM 0 HB2 CYS A 716 20.644 -2.013 -5.163 1.00 47.21 H new ATOM 0 HB3 CYS A 716 19.924 -2.903 -4.105 1.00 47.21 H new ATOM 0 HG CYS A 716 18.102 -0.806 -3.540 1.00 48.48 H new ATOM 130 N CYS A 717 21.659 -3.255 -1.749 1.00 37.76 N ATOM 131 CA CYS A 717 22.485 -4.381 -1.325 1.00 41.80 C ATOM 132 C CYS A 717 22.269 -5.505 -2.334 1.00 43.01 C ATOM 133 O CYS A 717 21.116 -5.759 -2.722 1.00 44.21 O ATOM 134 CB CYS A 717 22.069 -4.885 0.043 1.00 37.05 C ATOM 135 SG CYS A 717 23.193 -6.151 0.693 1.00 39.18 S ATOM 0 H CYS A 717 20.948 -3.124 -1.283 1.00 37.76 H new ATOM 0 HA CYS A 717 23.412 -4.100 -1.278 1.00 41.80 H new ATOM 0 HB2 CYS A 717 22.035 -4.139 0.662 1.00 37.05 H new ATOM 0 HB3 CYS A 717 21.172 -5.250 -0.010 1.00 37.05 H new ATOM 136 N ASP A 718 23.335 -6.221 -2.676 1.00 47.34 N ATOM 137 CA ASP A 718 23.192 -7.417 -3.531 1.00 44.73 C ATOM 138 C ASP A 718 22.766 -8.674 -2.792 1.00 49.89 C ATOM 139 O ASP A 718 22.244 -9.593 -3.400 1.00 54.67 O ATOM 140 CB ASP A 718 24.443 -7.594 -4.363 1.00 46.51 C ATOM 141 CG ASP A 718 24.503 -6.594 -5.465 1.00 44.29 C ATOM 142 OD1 ASP A 718 23.508 -6.564 -6.197 1.00 59.29 O ATOM 143 OD2 ASP A 718 25.472 -5.800 -5.619 1.00 51.06 O ATOM 0 H ASP A 718 24.140 -6.043 -2.433 1.00 47.34 H new ATOM 0 HA ASP A 718 22.445 -7.260 -4.129 1.00 44.73 H new ATOM 0 HB2 ASP A 718 25.226 -7.503 -3.798 1.00 46.51 H new ATOM 0 HB3 ASP A 718 24.463 -8.490 -4.734 1.00 46.51 H new ATOM 144 N THR A 719 22.909 -8.722 -1.479 1.00 42.84 N ATOM 145 CA THR A 719 22.621 -9.929 -0.757 1.00 41.10 C ATOM 146 C THR A 719 21.475 -9.836 0.153 1.00 42.38 C ATOM 147 O THR A 719 21.189 -10.778 0.847 1.00 44.03 O ATOM 148 CB THR A 719 23.899 -10.410 -0.031 1.00 48.84 C ATOM 149 OG1 THR A 719 24.574 -9.307 0.610 1.00 42.93 O ATOM 150 CG2 THR A 719 24.840 -10.963 -1.062 1.00 51.42 C ATOM 0 H THR A 719 23.172 -8.063 -0.993 1.00 42.84 H new ATOM 0 HA THR A 719 22.347 -10.590 -1.412 1.00 41.10 H new ATOM 0 HB THR A 719 23.649 -11.070 0.634 1.00 48.84 H new ATOM 0 HG1 THR A 719 24.212 -9.149 1.351 1.00 42.93 H new ATOM 0 HG21 THR A 719 25.651 -11.272 -0.628 1.00 51.42 H new ATOM 0 HG22 THR A 719 24.417 -11.705 -1.521 1.00 51.42 H new ATOM 0 HG23 THR A 719 25.061 -10.270 -1.704 1.00 51.42 H new ATOM 151 N CYS A 720 20.808 -8.689 0.188 1.00 41.88 N ATOM 152 CA CYS A 720 19.569 -8.547 0.979 1.00 39.88 C ATOM 153 C CYS A 720 18.775 -7.411 0.322 1.00 29.74 C ATOM 154 O CYS A 720 19.328 -6.707 -0.459 1.00 37.95 O ATOM 155 CB CYS A 720 19.810 -8.238 2.477 1.00 39.63 C ATOM 156 SG CYS A 720 20.266 -6.496 2.871 1.00 38.77 S ATOM 0 H CYS A 720 21.047 -7.979 -0.234 1.00 41.88 H new ATOM 0 HA CYS A 720 19.092 -9.391 0.976 1.00 39.88 H new ATOM 0 HB2 CYS A 720 19.006 -8.464 2.970 1.00 39.63 H new ATOM 0 HB3 CYS A 720 20.515 -8.821 2.801 1.00 39.63 H new ATOM 157 N PRO A 721 17.505 -7.240 0.713 1.00 39.45 N ATOM 158 CA PRO A 721 16.661 -6.209 0.128 1.00 39.68 C ATOM 159 C PRO A 721 16.801 -4.787 0.669 1.00 46.06 C ATOM 160 O PRO A 721 16.022 -3.926 0.269 1.00 43.43 O ATOM 161 CB PRO A 721 15.250 -6.719 0.392 1.00 40.33 C ATOM 162 CG PRO A 721 15.347 -7.641 1.537 1.00 45.05 C ATOM 163 CD PRO A 721 16.791 -7.983 1.764 1.00 39.61 C ATOM 0 HA PRO A 721 16.916 -6.096 -0.801 1.00 39.68 H new ATOM 0 HB2 PRO A 721 14.649 -5.984 0.590 1.00 40.33 H new ATOM 0 HB3 PRO A 721 14.895 -7.173 -0.388 1.00 40.33 H new ATOM 0 HG2 PRO A 721 14.971 -7.231 2.331 1.00 45.05 H new ATOM 0 HG3 PRO A 721 14.835 -8.446 1.364 1.00 45.05 H new ATOM 0 HD2 PRO A 721 17.084 -7.715 2.649 1.00 39.61 H new ATOM 0 HD3 PRO A 721 16.945 -8.938 1.691 1.00 39.61 H new ATOM 164 N ARG A 722 17.780 -4.511 1.520 1.00 35.23 N ATOM 165 CA ARG A 722 17.987 -3.110 1.974 1.00 37.25 C ATOM 166 C ARG A 722 18.610 -2.190 0.984 1.00 31.58 C ATOM 167 O ARG A 722 19.409 -2.572 0.140 1.00 37.00 O ATOM 168 CB ARG A 722 18.822 -3.047 3.284 1.00 32.17 C ATOM 169 CG ARG A 722 18.269 -3.923 4.360 1.00 33.91 C ATOM 170 CD ARG A 722 19.192 -3.945 5.576 1.00 29.86 C ATOM 171 NE ARG A 722 18.565 -4.578 6.690 1.00 32.81 N ATOM 172 CZ ARG A 722 18.677 -5.870 7.019 1.00 30.86 C ATOM 173 NH1 ARG A 722 19.339 -6.707 6.259 1.00 33.60 N ATOM 174 NH2 ARG A 722 18.069 -6.309 8.064 1.00 34.64 N ATOM 0 H ARG A 722 18.327 -5.089 1.846 1.00 35.23 H new ATOM 0 HA ARG A 722 17.080 -2.795 2.116 1.00 37.25 H new ATOM 0 HB2 ARG A 722 19.736 -3.311 3.094 1.00 32.17 H new ATOM 0 HB3 ARG A 722 18.852 -2.131 3.601 1.00 32.17 H new ATOM 0 HG2 ARG A 722 17.391 -3.604 4.622 1.00 33.91 H new ATOM 0 HG3 ARG A 722 18.154 -4.824 4.021 1.00 33.91 H new ATOM 0 HD2 ARG A 722 20.012 -4.414 5.354 1.00 29.86 H new ATOM 0 HD3 ARG A 722 19.439 -3.038 5.814 1.00 29.86 H new ATOM 0 HE ARG A 722 18.072 -4.086 7.194 1.00 32.81 H new ATOM 0 HH11 ARG A 722 19.711 -6.429 5.535 1.00 33.60 H new ATOM 0 HH12 ARG A 722 19.402 -7.535 6.484 1.00 33.60 H new ATOM 0 HH21 ARG A 722 17.596 -5.774 8.543 1.00 34.64 H new ATOM 0 HH22 ARG A 722 18.135 -7.138 8.283 1.00 34.64 H new ATOM 175 N SER A 723 18.293 -0.903 1.116 1.00 28.43 N ATOM 176 CA SER A 723 18.944 0.162 0.330 1.00 27.38 C ATOM 177 C SER A 723 19.403 1.320 1.174 1.00 27.90 C ATOM 178 O SER A 723 18.806 1.501 2.248 1.00 29.15 O ATOM 179 CB SER A 723 17.992 0.694 -0.844 1.00 34.84 C ATOM 180 OG SER A 723 17.259 -0.463 -1.399 1.00 37.55 O ATOM 0 H SER A 723 17.694 -0.616 1.663 1.00 28.43 H new ATOM 0 HA SER A 723 19.732 -0.248 -0.060 1.00 27.38 H new ATOM 0 HB2 SER A 723 17.371 1.357 -0.503 1.00 34.84 H new ATOM 0 HB3 SER A 723 18.516 1.127 -1.536 1.00 34.84 H new ATOM 0 HG SER A 723 16.472 -0.234 -1.583 1.00 37.55 H new ATOM 181 N PHE A 724 20.339 2.122 0.659 1.00 27.49 N ATOM 182 CA PHE A 724 21.015 3.189 1.403 1.00 29.30 C ATOM 183 C PHE A 724 21.334 4.401 0.634 1.00 28.99 C ATOM 184 O PHE A 724 21.887 4.364 -0.465 1.00 30.42 O ATOM 185 CB PHE A 724 22.355 2.716 2.074 1.00 28.86 C ATOM 186 CG PHE A 724 22.181 1.519 2.968 1.00 29.86 C ATOM 187 CD1 PHE A 724 22.111 0.230 2.453 1.00 27.23 C ATOM 188 CD2 PHE A 724 22.057 1.674 4.370 1.00 26.16 C ATOM 189 CE1 PHE A 724 21.853 -0.894 3.270 1.00 27.79 C ATOM 190 CE2 PHE A 724 21.800 0.564 5.162 1.00 25.75 C ATOM 191 CZ PHE A 724 21.770 -0.745 4.636 1.00 25.94 C ATOM 0 H PHE A 724 20.605 2.058 -0.156 1.00 27.49 H new ATOM 0 HA PHE A 724 20.345 3.414 2.067 1.00 29.30 H new ATOM 0 HB2 PHE A 724 22.999 2.503 1.381 1.00 28.86 H new ATOM 0 HB3 PHE A 724 22.726 3.448 2.592 1.00 28.86 H new ATOM 0 HD1 PHE A 724 22.238 0.103 1.541 1.00 27.23 H new ATOM 0 HD2 PHE A 724 22.147 2.515 4.758 1.00 26.16 H new ATOM 0 HE1 PHE A 724 21.739 -1.733 2.885 1.00 27.79 H new ATOM 0 HE2 PHE A 724 21.642 0.687 6.070 1.00 25.75 H new ATOM 0 HZ PHE A 724 21.696 -1.485 5.195 1.00 25.94 H new ATOM 192 N HIS A 725 21.141 5.550 1.271 1.00 28.16 N ATOM 193 CA HIS A 725 21.871 6.695 0.805 1.00 25.92 C ATOM 194 C HIS A 725 23.349 6.446 0.988 1.00 33.28 C ATOM 195 O HIS A 725 23.783 5.761 1.952 1.00 27.89 O ATOM 196 CB HIS A 725 21.519 8.048 1.432 1.00 30.52 C ATOM 197 CG HIS A 725 20.108 8.467 1.172 1.00 30.70 C ATOM 198 ND1 HIS A 725 19.109 8.387 2.114 1.00 26.93 N ATOM 199 CD2 HIS A 725 19.517 8.998 0.060 1.00 33.68 C ATOM 200 CE1 HIS A 725 17.960 8.784 1.613 1.00 31.24 C ATOM 201 NE2 HIS A 725 18.183 9.177 0.359 1.00 30.54 N ATOM 0 H HIS A 725 20.617 5.677 1.941 1.00 28.16 H new ATOM 0 HA HIS A 725 21.609 6.781 -0.125 1.00 25.92 H new ATOM 0 HB2 HIS A 725 21.666 8.002 2.390 1.00 30.52 H new ATOM 0 HB3 HIS A 725 22.121 8.725 1.085 1.00 30.52 H new ATOM 0 HD2 HIS A 725 19.935 9.200 -0.746 1.00 33.68 H new ATOM 0 HE1 HIS A 725 17.141 8.790 2.053 1.00 31.24 H new ATOM 0 HE2 HIS A 725 17.590 9.492 -0.178 1.00 30.54 H new ATOM 202 N GLU A 726 24.133 7.040 0.089 1.00 27.71 N ATOM 203 CA GLU A 726 25.614 6.988 0.148 1.00 32.63 C ATOM 204 C GLU A 726 26.250 7.232 1.532 1.00 34.50 C ATOM 205 O GLU A 726 26.995 6.361 1.964 1.00 35.22 O ATOM 206 CB GLU A 726 26.233 7.989 -0.827 1.00 39.24 C ATOM 207 CG GLU A 726 27.767 8.018 -0.824 1.00 46.03 C ATOM 208 CD GLU A 726 28.389 8.820 -1.958 1.00 54.66 C ATOM 209 OE1 GLU A 726 27.664 9.578 -2.644 1.00 52.77 O ATOM 210 OE2 GLU A 726 29.626 8.682 -2.155 1.00 52.83 O ATOM 0 H GLU A 726 23.829 7.489 -0.579 1.00 27.71 H new ATOM 0 HA GLU A 726 25.811 6.068 -0.090 1.00 32.63 H new ATOM 0 HB2 GLU A 726 25.927 7.781 -1.724 1.00 39.24 H new ATOM 0 HB3 GLU A 726 25.904 8.876 -0.614 1.00 39.24 H new ATOM 0 HG2 GLU A 726 28.070 8.386 0.021 1.00 46.03 H new ATOM 0 HG3 GLU A 726 28.096 7.107 -0.870 1.00 46.03 H new ATOM 211 N HIS A 727 25.954 8.373 2.154 1.00 30.01 N ATOM 212 CA HIS A 727 26.479 8.742 3.475 1.00 33.13 C ATOM 213 C HIS A 727 25.581 8.364 4.675 1.00 23.61 C ATOM 214 O HIS A 727 25.917 8.658 5.803 1.00 28.03 O ATOM 215 CB HIS A 727 26.752 10.214 3.480 1.00 36.10 C ATOM 216 CG HIS A 727 27.778 10.613 2.471 1.00 43.67 C ATOM 217 ND1 HIS A 727 28.968 9.930 2.324 1.00 50.04 N ATOM 218 CD2 HIS A 727 27.808 11.619 1.576 1.00 51.89 C ATOM 219 CE1 HIS A 727 29.689 10.496 1.377 1.00 55.15 C ATOM 220 NE2 HIS A 727 29.009 11.526 0.907 1.00 61.09 N ATOM 0 H HIS A 727 25.433 8.967 1.815 1.00 30.01 H new ATOM 0 HA HIS A 727 27.287 8.221 3.603 1.00 33.13 H new ATOM 0 HB2 HIS A 727 25.927 10.693 3.304 1.00 36.10 H new ATOM 0 HB3 HIS A 727 27.052 10.481 4.363 1.00 36.10 H new ATOM 0 HD2 HIS A 727 27.144 12.255 1.436 1.00 51.89 H new ATOM 0 HE1 HIS A 727 30.529 10.219 1.090 1.00 55.15 H new ATOM 0 HE2 HIS A 727 29.274 12.055 0.283 1.00 61.09 H new ATOM 221 N CYS A 728 24.500 7.669 4.411 1.00 22.78 N ATOM 222 CA CYS A 728 23.689 7.040 5.451 1.00 22.21 C ATOM 223 C CYS A 728 24.343 5.692 5.856 1.00 23.16 C ATOM 224 O CYS A 728 24.375 5.307 7.045 1.00 23.22 O ATOM 225 CB CYS A 728 22.242 6.834 5.049 1.00 25.04 C ATOM 226 SG CYS A 728 21.239 8.415 5.234 1.00 27.50 S ATOM 0 H CYS A 728 24.203 7.541 3.614 1.00 22.78 H new ATOM 0 HA CYS A 728 23.666 7.647 6.208 1.00 22.21 H new ATOM 0 HB2 CYS A 728 22.201 6.530 4.129 1.00 25.04 H new ATOM 0 HB3 CYS A 728 21.850 6.135 5.596 1.00 25.04 H new ATOM 227 N HIS A 729 24.831 4.953 4.891 1.00 22.99 N ATOM 228 CA HIS A 729 25.559 3.682 5.168 1.00 23.04 C ATOM 229 C HIS A 729 26.828 4.048 5.891 1.00 20.14 C ATOM 230 O HIS A 729 27.431 5.100 5.654 1.00 21.00 O ATOM 231 CB HIS A 729 25.860 2.895 3.853 1.00 22.19 C ATOM 232 CG HIS A 729 26.208 1.459 4.096 1.00 19.53 C ATOM 233 ND1 HIS A 729 27.512 1.096 4.297 1.00 24.34 N ATOM 234 CD2 HIS A 729 25.465 0.352 4.269 1.00 24.16 C ATOM 235 CE1 HIS A 729 27.576 -0.196 4.475 1.00 21.88 C ATOM 236 NE2 HIS A 729 26.356 -0.667 4.529 1.00 23.02 N ATOM 0 H HIS A 729 24.764 5.149 4.056 1.00 22.99 H new ATOM 0 HA HIS A 729 25.014 3.093 5.713 1.00 23.04 H new ATOM 0 HB2 HIS A 729 25.086 2.941 3.270 1.00 22.19 H new ATOM 0 HB3 HIS A 729 26.593 3.325 3.385 1.00 22.19 H new ATOM 0 HD1 HIS A 729 28.183 1.634 4.305 1.00 24.34 H new ATOM 0 HD2 HIS A 729 24.538 0.287 4.223 1.00 24.16 H new ATOM 0 HE1 HIS A 729 28.356 -0.697 4.551 1.00 21.88 H new ATOM 237 N ILE A 730 27.286 3.149 6.809 1.00 18.82 N ATOM 238 CA ILE A 730 28.556 3.363 7.425 1.00 19.62 C ATOM 239 C ILE A 730 29.307 1.966 7.288 1.00 22.78 C ATOM 240 O ILE A 730 28.719 0.950 7.649 1.00 24.85 O ATOM 241 CB ILE A 730 28.437 3.638 8.924 1.00 21.25 C ATOM 242 CG1 ILE A 730 27.501 4.819 9.155 1.00 21.28 C ATOM 243 CG2 ILE A 730 29.809 3.899 9.522 1.00 21.43 C ATOM 244 CD1 ILE A 730 27.291 5.171 10.632 1.00 22.28 C ATOM 0 H ILE A 730 26.867 2.441 7.060 1.00 18.82 H new ATOM 0 HA ILE A 730 28.999 4.120 7.011 1.00 19.62 H new ATOM 0 HB ILE A 730 28.064 2.859 9.366 1.00 21.25 H new ATOM 0 HG12 ILE A 730 27.856 5.596 8.695 1.00 21.28 H new ATOM 0 HG13 ILE A 730 26.640 4.620 8.754 1.00 21.28 H new ATOM 0 HG21 ILE A 730 29.720 4.072 10.472 1.00 21.43 H new ATOM 0 HG22 ILE A 730 30.374 3.123 9.386 1.00 21.43 H new ATOM 0 HG23 ILE A 730 30.209 4.669 9.090 1.00 21.43 H new ATOM 0 HD11 ILE A 730 26.688 5.927 10.702 1.00 22.28 H new ATOM 0 HD12 ILE A 730 26.909 4.409 11.095 1.00 22.28 H new ATOM 0 HD13 ILE A 730 28.143 5.399 11.035 1.00 22.28 H new ATOM 245 N PRO A 731 30.494 1.996 6.762 1.00 25.63 N ATOM 246 CA PRO A 731 31.125 3.091 6.059 1.00 24.61 C ATOM 247 C PRO A 731 30.336 3.614 4.812 1.00 24.36 C ATOM 248 O PRO A 731 29.504 2.900 4.335 1.00 26.64 O ATOM 249 CB PRO A 731 32.439 2.454 5.524 1.00 30.99 C ATOM 250 CG PRO A 731 32.583 1.235 6.273 1.00 27.28 C ATOM 251 CD PRO A 731 31.238 0.733 6.619 1.00 30.60 C ATOM 0 HA PRO A 731 31.212 3.851 6.656 1.00 24.61 H new ATOM 0 HB2 PRO A 731 32.383 2.278 4.572 1.00 30.99 H new ATOM 0 HB3 PRO A 731 33.197 3.043 5.660 1.00 30.99 H new ATOM 0 HG2 PRO A 731 33.065 0.574 5.751 1.00 27.28 H new ATOM 0 HG3 PRO A 731 33.101 1.394 7.078 1.00 27.28 H new ATOM 0 HD2 PRO A 731 30.868 0.166 5.924 1.00 30.60 H new ATOM 0 HD3 PRO A 731 31.240 0.213 7.438 1.00 30.60 H new ATOM 252 N SER A 732 30.594 4.835 4.350 1.00 29.15 N ATOM 253 CA SER A 732 29.942 5.359 3.075 1.00 32.78 C ATOM 254 C SER A 732 30.034 4.344 1.927 1.00 38.17 C ATOM 255 O SER A 732 31.057 3.626 1.852 1.00 37.78 O ATOM 256 CB SER A 732 30.662 6.594 2.599 1.00 38.30 C ATOM 257 OG SER A 732 30.285 7.673 3.399 1.00 42.97 O ATOM 0 H SER A 732 31.130 5.390 4.730 1.00 29.15 H new ATOM 0 HA SER A 732 29.014 5.537 3.294 1.00 32.78 H new ATOM 0 HB2 SER A 732 31.622 6.461 2.645 1.00 38.30 H new ATOM 0 HB3 SER A 732 30.444 6.772 1.671 1.00 38.30 H new ATOM 0 HG SER A 732 29.909 8.255 2.925 1.00 42.97 H new ATOM 258 N VAL A 733 28.964 4.207 1.140 1.00 35.46 N ATOM 259 CA VAL A 733 28.817 3.095 0.165 1.00 37.30 C ATOM 260 C VAL A 733 29.987 3.151 -0.806 1.00 46.11 C ATOM 261 O VAL A 733 30.368 4.214 -1.259 1.00 45.86 O ATOM 262 CB VAL A 733 27.505 3.106 -0.610 1.00 38.19 C ATOM 263 CG1 VAL A 733 27.521 2.037 -1.734 1.00 37.53 C ATOM 264 CG2 VAL A 733 26.278 2.840 0.314 1.00 37.08 C ATOM 0 H VAL A 733 28.298 4.751 1.149 1.00 35.46 H new ATOM 0 HA VAL A 733 28.810 2.270 0.676 1.00 37.30 H new ATOM 0 HB VAL A 733 27.419 3.992 -0.995 1.00 38.19 H new ATOM 0 HG11 VAL A 733 26.679 2.060 -2.215 1.00 37.53 H new ATOM 0 HG12 VAL A 733 28.248 2.224 -2.348 1.00 37.53 H new ATOM 0 HG13 VAL A 733 27.646 1.158 -1.343 1.00 37.53 H new ATOM 0 HG21 VAL A 733 25.465 2.855 -0.215 1.00 37.08 H new ATOM 0 HG22 VAL A 733 26.373 1.972 0.736 1.00 37.08 H new ATOM 0 HG23 VAL A 733 26.232 3.528 0.997 1.00 37.08 H new ATOM 265 N GLU A 734 30.583 1.980 -1.050 1.00 56.85 N ATOM 266 CA GLU A 734 31.873 1.870 -1.750 1.00 65.30 C ATOM 267 C GLU A 734 31.649 2.101 -3.275 1.00 67.50 C ATOM 268 O GLU A 734 30.589 1.728 -3.817 1.00 59.42 O ATOM 269 CB GLU A 734 32.538 0.511 -1.418 1.00 66.00 C ATOM 270 CG GLU A 734 32.903 0.288 0.073 1.00 67.85 C ATOM 271 CD GLU A 734 31.729 0.030 1.064 1.00 73.62 C ATOM 272 OE1 GLU A 734 30.616 -0.310 0.654 1.00 72.09 O ATOM 273 OE2 GLU A 734 31.887 0.151 2.297 1.00 74.58 O ATOM 0 H GLU A 734 30.251 1.223 -0.814 1.00 56.85 H new ATOM 0 HA GLU A 734 32.491 2.554 -1.448 1.00 65.30 H new ATOM 0 HB2 GLU A 734 31.940 -0.200 -1.697 1.00 66.00 H new ATOM 0 HB3 GLU A 734 33.346 0.427 -1.948 1.00 66.00 H new ATOM 0 HG2 GLU A 734 33.510 -0.467 0.124 1.00 67.85 H new ATOM 0 HG3 GLU A 734 33.392 1.067 0.382 1.00 67.85 H new ATOM 274 N ALA A 735 32.625 2.755 -3.928 1.00 83.41 N ATOM 275 CA ALA A 735 32.526 3.227 -5.346 1.00 89.29 C ATOM 276 C ALA A 735 32.295 2.110 -6.382 1.00 96.34 C ATOM 277 O ALA A 735 31.461 2.243 -7.295 1.00 99.18 O ATOM 278 CB ALA A 735 33.765 4.036 -5.739 1.00 83.02 C ATOM 0 H ALA A 735 33.380 2.945 -3.562 1.00 83.41 H new ATOM 0 HA ALA A 735 31.733 3.786 -5.365 1.00 89.29 H new ATOM 0 HB1 ALA A 735 33.680 4.331 -6.659 1.00 83.02 H new ATOM 0 HB2 ALA A 735 33.845 4.809 -5.158 1.00 83.02 H new ATOM 0 HB3 ALA A 735 34.556 3.481 -5.649 1.00 83.02 H new ATOM 279 N ASN A 736 33.032 1.015 -6.244 1.00 90.88 N ATOM 280 CA ASN A 736 32.872 -0.106 -7.147 1.00 97.98 C ATOM 281 C ASN A 736 32.276 -1.302 -6.365 1.00 96.63 C ATOM 282 O ASN A 736 31.273 -1.101 -5.672 1.00106.87 O ATOM 283 CB ASN A 736 34.203 -0.345 -7.878 1.00105.71 C ATOM 284 CG ASN A 736 34.004 -0.896 -9.273 1.00103.43 C ATOM 285 OD1 ASN A 736 33.700 -2.076 -9.427 1.00118.02 O ATOM 286 ND2 ASN A 736 34.146 -0.040 -10.297 1.00 90.01 N ATOM 0 H ASN A 736 33.628 0.905 -5.634 1.00 90.88 H new ATOM 0 HA ASN A 736 32.231 0.061 -7.855 1.00 97.98 H new ATOM 0 HB2 ASN A 736 34.695 0.489 -7.930 1.00105.71 H new ATOM 0 HB3 ASN A 736 34.745 -0.963 -7.363 1.00105.71 H new ATOM 0 HD21 ASN A 736 34.023 -0.311 -11.104 1.00 90.01 H new ATOM 0 HD22 ASN A 736 34.360 0.779 -10.146 1.00 90.01 H new ATOM 287 N LYS A 737 32.847 -2.510 -6.461 1.00 95.12 N ATOM 288 CA LYS A 737 32.373 -3.695 -5.721 1.00 96.62 C ATOM 289 C LYS A 737 31.008 -4.167 -6.241 1.00 95.70 C ATOM 290 O LYS A 737 29.957 -3.746 -5.763 1.00 93.76 O ATOM 291 CB LYS A 737 32.344 -3.466 -4.189 1.00 90.31 C ATOM 0 H LYS A 737 33.528 -2.668 -6.962 1.00 95.12 H new ATOM 0 HA LYS A 737 33.017 -4.402 -5.884 1.00 96.62 H new ATOM 292 N ASN A 738 31.043 -5.024 -7.255 1.00 88.55 N ATOM 293 CA ASN A 738 29.852 -5.723 -7.732 1.00 83.38 C ATOM 294 C ASN A 738 30.162 -7.202 -7.552 1.00 81.27 C ATOM 295 O ASN A 738 31.196 -7.631 -8.034 1.00 95.07 O ATOM 296 CB ASN A 738 29.597 -5.385 -9.198 1.00 87.14 C ATOM 297 CG ASN A 738 29.950 -3.930 -9.533 1.00 87.10 C ATOM 298 OD1 ASN A 738 31.059 -3.459 -9.250 1.00 80.41 O ATOM 299 ND2 ASN A 738 29.008 -3.216 -10.136 1.00 86.21 N ATOM 0 H ASN A 738 31.760 -5.218 -7.688 1.00 88.55 H new ATOM 0 HA ASN A 738 29.052 -5.467 -7.247 1.00 83.38 H new ATOM 0 HB2 ASN A 738 30.119 -5.979 -9.760 1.00 87.14 H new ATOM 0 HB3 ASN A 738 28.663 -5.545 -9.406 1.00 87.14 H new ATOM 0 HD21 ASN A 738 29.158 -2.395 -10.344 1.00 86.21 H new ATOM 0 HD22 ASN A 738 28.248 -3.574 -10.319 1.00 86.21 H new ATOM 300 N PRO A 739 29.375 -7.975 -6.803 1.00 76.47 N ATOM 301 CA PRO A 739 28.275 -7.496 -5.996 1.00 76.47 C ATOM 302 C PRO A 739 28.737 -6.710 -4.736 1.00 70.72 C ATOM 303 O PRO A 739 29.879 -6.861 -4.280 1.00 67.60 O ATOM 304 CB PRO A 739 27.592 -8.805 -5.582 1.00 78.99 C ATOM 305 CG PRO A 739 28.735 -9.768 -5.425 1.00 78.26 C ATOM 306 CD PRO A 739 29.856 -9.283 -6.310 1.00 75.74 C ATOM 0 HA PRO A 739 27.711 -6.870 -6.477 1.00 76.47 H new ATOM 0 HB2 PRO A 739 27.096 -8.702 -4.755 1.00 78.99 H new ATOM 0 HB3 PRO A 739 26.962 -9.107 -6.255 1.00 78.99 H new ATOM 0 HG2 PRO A 739 29.023 -9.809 -4.500 1.00 78.26 H new ATOM 0 HG3 PRO A 739 28.464 -10.665 -5.677 1.00 78.26 H new ATOM 0 HD2 PRO A 739 30.686 -9.194 -5.816 1.00 75.74 H new ATOM 0 HD3 PRO A 739 30.025 -9.899 -7.040 1.00 75.74 H new ATOM 307 N TRP A 740 27.835 -5.888 -4.197 1.00 57.47 N ATOM 308 CA TRP A 740 28.064 -5.149 -2.932 1.00 54.58 C ATOM 309 C TRP A 740 27.173 -5.674 -1.814 1.00 44.23 C ATOM 310 O TRP A 740 25.972 -5.985 -1.993 1.00 44.28 O ATOM 311 CB TRP A 740 27.851 -3.659 -3.137 1.00 53.43 C ATOM 312 CG TRP A 740 27.997 -2.818 -1.871 1.00 49.96 C ATOM 313 CD1 TRP A 740 29.142 -2.444 -1.253 1.00 48.55 C ATOM 314 CD2 TRP A 740 26.920 -2.235 -1.132 1.00 41.37 C ATOM 315 NE1 TRP A 740 28.853 -1.644 -0.165 1.00 45.62 N ATOM 316 CE2 TRP A 740 27.493 -1.520 -0.055 1.00 42.53 C ATOM 317 CE3 TRP A 740 25.532 -2.251 -1.284 1.00 39.59 C ATOM 318 CZ2 TRP A 740 26.728 -0.845 0.881 1.00 37.95 C ATOM 319 CZ3 TRP A 740 24.749 -1.554 -0.353 1.00 38.73 C ATOM 320 CH2 TRP A 740 25.370 -0.839 0.704 1.00 39.09 C ATOM 0 H TRP A 740 27.066 -5.737 -4.551 1.00 57.47 H new ATOM 0 HA TRP A 740 28.986 -5.293 -2.666 1.00 54.58 H new ATOM 0 HB2 TRP A 740 28.486 -3.341 -3.798 1.00 53.43 H new ATOM 0 HB3 TRP A 740 26.964 -3.518 -3.505 1.00 53.43 H new ATOM 0 HD1 TRP A 740 29.998 -2.690 -1.522 1.00 48.55 H new ATOM 0 HE1 TRP A 740 29.432 -1.283 0.358 1.00 45.62 H new ATOM 0 HE3 TRP A 740 25.136 -2.714 -1.987 1.00 39.59 H new ATOM 0 HZ2 TRP A 740 27.122 -0.412 1.603 1.00 37.95 H new ATOM 0 HZ3 TRP A 740 23.822 -1.560 -0.428 1.00 38.73 H new ATOM 0 HH2 TRP A 740 24.840 -0.353 1.293 1.00 39.09 H new ATOM 321 N SER A 741 27.767 -5.819 -0.633 1.00 40.41 N ATOM 322 CA SER A 741 27.048 -6.362 0.497 1.00 33.79 C ATOM 323 C SER A 741 27.095 -5.220 1.594 1.00 27.02 C ATOM 324 O SER A 741 28.150 -4.651 1.814 1.00 27.42 O ATOM 325 CB SER A 741 27.697 -7.667 0.958 1.00 42.12 C ATOM 326 OG SER A 741 27.062 -8.854 0.410 1.00 42.29 O ATOM 0 H SER A 741 28.585 -5.607 -0.472 1.00 40.41 H new ATOM 0 HA SER A 741 26.129 -6.596 0.292 1.00 33.79 H new ATOM 0 HB2 SER A 741 28.633 -7.662 0.703 1.00 42.12 H new ATOM 0 HB3 SER A 741 27.667 -7.711 1.927 1.00 42.12 H new ATOM 0 HG SER A 741 26.228 -8.787 0.488 1.00 42.29 H new ATOM 327 N CYS A 742 25.903 -4.876 2.077 1.00 30.54 N ATOM 328 CA CYS A 742 25.720 -3.862 3.136 1.00 28.43 C ATOM 329 C CYS A 742 26.315 -4.402 4.463 1.00 26.89 C ATOM 330 O CYS A 742 26.447 -5.622 4.729 1.00 24.86 O ATOM 331 CB CYS A 742 24.151 -3.564 3.334 1.00 21.77 C ATOM 332 SG CYS A 742 23.154 -4.604 4.221 1.00 25.64 S ATOM 0 H CYS A 742 25.166 -5.224 1.801 1.00 30.54 H new ATOM 0 HA CYS A 742 26.172 -3.042 2.883 1.00 28.43 H new ATOM 0 HB2 CYS A 742 24.081 -2.688 3.746 1.00 21.77 H new ATOM 0 HB3 CYS A 742 23.764 -3.492 2.447 1.00 21.77 H new ATOM 333 N ILE A 743 26.408 -3.474 5.417 1.00 27.80 N ATOM 334 CA ILE A 743 26.876 -3.759 6.768 1.00 23.97 C ATOM 335 C ILE A 743 26.070 -4.793 7.514 1.00 25.21 C ATOM 336 O ILE A 743 26.601 -5.600 8.264 1.00 24.45 O ATOM 337 CB ILE A 743 27.102 -2.429 7.527 1.00 24.70 C ATOM 338 CG1 ILE A 743 27.904 -2.762 8.830 1.00 24.95 C ATOM 339 CG2 ILE A 743 25.781 -1.771 7.723 1.00 23.24 C ATOM 340 CD1 ILE A 743 28.530 -1.606 9.452 1.00 30.55 C ATOM 0 H ILE A 743 26.197 -2.650 5.292 1.00 27.80 H new ATOM 0 HA ILE A 743 27.734 -4.206 6.698 1.00 23.97 H new ATOM 0 HB ILE A 743 27.637 -1.782 7.041 1.00 24.70 H new ATOM 0 HG12 ILE A 743 27.305 -3.177 9.470 1.00 24.95 H new ATOM 0 HG13 ILE A 743 28.590 -3.415 8.619 1.00 24.95 H new ATOM 0 HG21 ILE A 743 25.903 -0.934 8.198 1.00 23.24 H new ATOM 0 HG22 ILE A 743 25.375 -1.596 6.860 1.00 23.24 H new ATOM 0 HG23 ILE A 743 25.202 -2.354 8.239 1.00 23.24 H new ATOM 0 HD11 ILE A 743 29.007 -1.886 10.249 1.00 30.55 H new ATOM 0 HD12 ILE A 743 29.153 -1.201 8.829 1.00 30.55 H new ATOM 0 HD13 ILE A 743 27.848 -0.959 9.693 1.00 30.55 H new ATOM 341 N PHE A 744 24.744 -4.822 7.338 1.00 25.44 N ATOM 342 CA PHE A 744 23.932 -5.827 7.923 1.00 25.33 C ATOM 343 C PHE A 744 24.360 -7.255 7.489 1.00 25.54 C ATOM 344 O PHE A 744 24.420 -8.214 8.323 1.00 25.60 O ATOM 345 CB PHE A 744 22.405 -5.629 7.646 1.00 27.97 C ATOM 346 CG PHE A 744 21.810 -4.415 8.287 1.00 23.36 C ATOM 347 CD1 PHE A 744 21.950 -3.192 7.712 1.00 23.78 C ATOM 348 CD2 PHE A 744 21.029 -4.574 9.367 1.00 23.22 C ATOM 349 CE1 PHE A 744 21.321 -2.066 8.311 1.00 23.27 C ATOM 350 CE2 PHE A 744 20.364 -3.515 9.965 1.00 24.91 C ATOM 351 CZ PHE A 744 20.562 -2.250 9.456 1.00 22.10 C ATOM 0 H PHE A 744 24.311 -4.246 6.869 1.00 25.44 H new ATOM 0 HA PHE A 744 24.073 -5.734 8.878 1.00 25.33 H new ATOM 0 HB2 PHE A 744 22.266 -5.576 6.687 1.00 27.97 H new ATOM 0 HB3 PHE A 744 21.927 -6.413 7.959 1.00 27.97 H new ATOM 0 HD1 PHE A 744 22.452 -3.092 6.935 1.00 23.78 H new ATOM 0 HD2 PHE A 744 20.930 -5.426 9.727 1.00 23.22 H new ATOM 0 HE1 PHE A 744 21.418 -1.219 7.940 1.00 23.27 H new ATOM 0 HE2 PHE A 744 19.799 -3.655 10.691 1.00 24.91 H new ATOM 0 HZ PHE A 744 20.184 -1.515 9.883 1.00 22.10 H new ATOM 352 N CYS A 745 24.611 -7.355 6.206 1.00 30.13 N ATOM 353 CA CYS A 745 25.013 -8.641 5.581 1.00 30.14 C ATOM 354 C CYS A 745 26.428 -9.042 6.085 1.00 29.50 C ATOM 355 O CYS A 745 26.663 -10.212 6.405 1.00 30.64 O ATOM 356 CB CYS A 745 25.042 -8.530 4.047 1.00 29.58 C ATOM 357 SG CYS A 745 23.357 -8.590 3.377 1.00 34.98 S ATOM 0 H CYS A 745 24.560 -6.696 5.656 1.00 30.13 H new ATOM 0 HA CYS A 745 24.361 -9.314 5.831 1.00 30.14 H new ATOM 0 HB2 CYS A 745 25.471 -7.701 3.785 1.00 29.58 H new ATOM 0 HB3 CYS A 745 25.571 -9.253 3.674 1.00 29.58 H new ATOM 358 N ARG A 746 27.327 -8.075 6.123 1.00 26.71 N ATOM 359 CA ARG A 746 28.705 -8.303 6.600 1.00 27.92 C ATOM 360 C ARG A 746 28.732 -8.730 8.061 1.00 29.56 C ATOM 361 O ARG A 746 29.474 -9.650 8.421 1.00 27.37 O ATOM 362 CB ARG A 746 29.577 -7.112 6.362 1.00 28.14 C ATOM 363 CG ARG A 746 29.713 -6.834 4.894 1.00 31.28 C ATOM 364 CD ARG A 746 30.322 -5.512 4.660 1.00 35.12 C ATOM 365 NE ARG A 746 31.693 -5.538 5.069 1.00 41.06 N ATOM 366 CZ ARG A 746 32.485 -4.468 5.139 1.00 49.57 C ATOM 367 NH1 ARG A 746 32.023 -3.246 4.775 1.00 55.20 N ATOM 368 NH2 ARG A 746 33.743 -4.623 5.561 1.00 45.35 N ATOM 0 H ARG A 746 27.169 -7.266 5.877 1.00 26.71 H new ATOM 0 HA ARG A 746 29.068 -9.036 6.078 1.00 27.92 H new ATOM 0 HB2 ARG A 746 29.202 -6.337 6.808 1.00 28.14 H new ATOM 0 HB3 ARG A 746 30.453 -7.265 6.749 1.00 28.14 H new ATOM 0 HG2 ARG A 746 30.257 -7.522 4.480 1.00 31.28 H new ATOM 0 HG3 ARG A 746 28.840 -6.871 4.472 1.00 31.28 H new ATOM 0 HD2 ARG A 746 30.259 -5.278 3.721 1.00 35.12 H new ATOM 0 HD3 ARG A 746 29.840 -4.831 5.155 1.00 35.12 H new ATOM 0 HE ARG A 746 32.030 -6.299 5.285 1.00 41.06 H new ATOM 0 HH11 ARG A 746 31.214 -3.158 4.497 1.00 55.20 H new ATOM 0 HH12 ARG A 746 32.539 -2.560 4.822 1.00 55.20 H new ATOM 0 HH21 ARG A 746 34.029 -5.403 5.782 1.00 45.35 H new ATOM 0 HH22 ARG A 746 34.266 -3.943 5.612 1.00 45.35 H new ATOM 369 N ILE A 747 27.880 -8.143 8.899 1.00 23.43 N ATOM 370 CA ILE A 747 27.734 -8.567 10.303 1.00 25.18 C ATOM 371 C ILE A 747 27.179 -9.991 10.412 1.00 25.40 C ATOM 372 O ILE A 747 27.624 -10.814 11.217 1.00 28.76 O ATOM 373 CB ILE A 747 26.853 -7.596 11.108 1.00 26.59 C ATOM 374 CG1 ILE A 747 27.574 -6.283 11.269 1.00 25.24 C ATOM 375 CG2 ILE A 747 26.499 -8.199 12.440 1.00 31.37 C ATOM 376 CD1 ILE A 747 28.740 -6.184 12.229 1.00 24.31 C ATOM 0 H ILE A 747 27.369 -7.489 8.676 1.00 23.43 H new ATOM 0 HA ILE A 747 28.626 -8.556 10.685 1.00 25.18 H new ATOM 0 HB ILE A 747 26.024 -7.433 10.631 1.00 26.59 H new ATOM 0 HG12 ILE A 747 27.896 -6.019 10.393 1.00 25.24 H new ATOM 0 HG13 ILE A 747 26.917 -5.623 11.541 1.00 25.24 H new ATOM 0 HG21 ILE A 747 25.944 -7.579 12.939 1.00 31.37 H new ATOM 0 HG22 ILE A 747 26.014 -9.027 12.302 1.00 31.37 H new ATOM 0 HG23 ILE A 747 27.311 -8.380 12.940 1.00 31.37 H new ATOM 0 HD11 ILE A 747 29.093 -5.281 12.218 1.00 24.31 H new ATOM 0 HD12 ILE A 747 28.441 -6.403 13.125 1.00 24.31 H new ATOM 0 HD13 ILE A 747 29.435 -6.805 11.960 1.00 24.31 H new ATOM 377 N LYS A 748 26.166 -10.261 9.620 1.00 29.10 N ATOM 378 CA LYS A 748 25.549 -11.623 9.625 1.00 33.40 C ATOM 379 C LYS A 748 26.603 -12.673 9.233 1.00 30.22 C ATOM 380 O LYS A 748 26.697 -13.682 9.883 1.00 33.09 O ATOM 381 CB LYS A 748 24.330 -11.689 8.704 1.00 37.75 C ATOM 382 CG LYS A 748 23.596 -13.022 8.805 1.00 46.11 C ATOM 383 CD LYS A 748 22.762 -13.370 7.570 1.00 60.62 C ATOM 384 CE LYS A 748 21.699 -12.322 7.258 1.00 69.26 C ATOM 385 NZ LYS A 748 20.829 -11.920 8.409 1.00 77.99 N ATOM 0 H LYS A 748 25.809 -9.701 9.074 1.00 29.10 H new ATOM 0 HA LYS A 748 25.236 -11.816 10.522 1.00 33.40 H new ATOM 0 HB2 LYS A 748 23.720 -10.969 8.927 1.00 37.75 H new ATOM 0 HB3 LYS A 748 24.613 -11.547 7.787 1.00 37.75 H new ATOM 0 HG2 LYS A 748 24.245 -13.727 8.955 1.00 46.11 H new ATOM 0 HG3 LYS A 748 23.015 -13.002 9.581 1.00 46.11 H new ATOM 0 HD2 LYS A 748 23.350 -13.465 6.805 1.00 60.62 H new ATOM 0 HD3 LYS A 748 22.333 -14.229 7.707 1.00 60.62 H new ATOM 0 HE2 LYS A 748 22.140 -11.529 6.915 1.00 69.26 H new ATOM 0 HE3 LYS A 748 21.132 -12.661 6.548 1.00 69.26 H new ATOM 0 HZ1 LYS A 748 20.214 -11.342 8.128 1.00 77.99 H new ATOM 0 HZ2 LYS A 748 20.428 -12.640 8.744 1.00 77.99 H new ATOM 0 HZ3 LYS A 748 21.328 -11.539 9.040 1.00 77.99 H new ATOM 386 N THR A 749 27.435 -12.374 8.251 1.00 30.60 N ATOM 387 CA THR A 749 28.529 -13.300 7.880 1.00 30.96 C ATOM 388 C THR A 749 29.497 -13.659 9.003 1.00 39.35 C ATOM 389 O THR A 749 29.907 -14.844 9.134 1.00 36.67 O ATOM 390 CB THR A 749 29.261 -12.739 6.660 1.00 34.01 C ATOM 391 OG1 THR A 749 28.323 -12.748 5.590 1.00 38.86 O ATOM 392 CG2 THR A 749 30.485 -13.594 6.276 1.00 36.39 C ATOM 0 H THR A 749 27.397 -11.653 7.784 1.00 30.60 H new ATOM 0 HA THR A 749 28.109 -14.149 7.668 1.00 30.96 H new ATOM 0 HB THR A 749 29.591 -11.848 6.855 1.00 34.01 H new ATOM 0 HG1 THR A 749 27.792 -12.103 5.677 1.00 38.86 H new ATOM 0 HG21 THR A 749 30.920 -13.206 5.501 1.00 36.39 H new ATOM 0 HG22 THR A 749 31.109 -13.618 7.018 1.00 36.39 H new ATOM 0 HG23 THR A 749 30.197 -14.496 6.067 1.00 36.39 H new ATOM 393 N ILE A 750 29.876 -12.661 9.817 1.00 38.51 N ATOM 394 CA ILE A 750 30.759 -12.855 10.978 1.00 40.35 C ATOM 395 C ILE A 750 30.144 -13.841 11.913 1.00 40.86 C ATOM 396 O ILE A 750 30.847 -14.750 12.335 1.00 45.09 O ATOM 397 CB ILE A 750 31.062 -11.580 11.831 1.00 43.95 C ATOM 398 CG1 ILE A 750 31.613 -10.413 11.033 1.00 45.67 C ATOM 399 CG2 ILE A 750 32.030 -11.886 12.971 1.00 48.29 C ATOM 400 CD1 ILE A 750 32.619 -10.789 10.003 1.00 48.47 C ATOM 0 H ILE A 750 29.625 -11.846 9.708 1.00 38.51 H new ATOM 0 HA ILE A 750 31.596 -13.148 10.586 1.00 40.35 H new ATOM 0 HB ILE A 750 30.197 -11.314 12.180 1.00 43.95 H new ATOM 0 HG12 ILE A 750 30.876 -9.957 10.597 1.00 45.67 H new ATOM 0 HG13 ILE A 750 32.016 -9.779 11.646 1.00 45.67 H new ATOM 0 HG21 ILE A 750 32.197 -11.077 13.480 1.00 48.29 H new ATOM 0 HG22 ILE A 750 31.643 -12.559 13.553 1.00 48.29 H new ATOM 0 HG23 ILE A 750 32.866 -12.216 12.606 1.00 48.29 H new ATOM 0 HD11 ILE A 750 32.921 -9.992 9.539 1.00 48.47 H new ATOM 0 HD12 ILE A 750 33.376 -11.219 10.431 1.00 48.47 H new ATOM 0 HD13 ILE A 750 32.217 -11.401 9.366 1.00 48.47 H new ATOM 401 N GLN A 751 28.865 -13.677 12.239 1.00 37.96 N ATOM 402 CA GLN A 751 28.161 -14.616 13.109 1.00 43.77 C ATOM 403 C GLN A 751 28.060 -16.008 12.512 1.00 47.20 C ATOM 404 O GLN A 751 28.128 -16.994 13.245 1.00 57.39 O ATOM 405 CB GLN A 751 26.759 -14.152 13.445 1.00 47.91 C ATOM 406 CG GLN A 751 26.706 -12.877 14.246 1.00 57.57 C ATOM 407 CD GLN A 751 25.306 -12.292 14.295 1.00 62.86 C ATOM 408 OE1 GLN A 751 24.328 -12.942 13.898 1.00 68.48 O ATOM 409 NE2 GLN A 751 25.203 -11.062 14.767 1.00 65.87 N ATOM 0 H GLN A 751 28.382 -13.021 11.964 1.00 37.96 H new ATOM 0 HA GLN A 751 28.698 -14.650 13.916 1.00 43.77 H new ATOM 0 HB2 GLN A 751 26.265 -14.025 12.620 1.00 47.91 H new ATOM 0 HB3 GLN A 751 26.307 -14.853 13.941 1.00 47.91 H new ATOM 0 HG2 GLN A 751 27.015 -13.051 15.149 1.00 57.57 H new ATOM 0 HG3 GLN A 751 27.313 -12.227 13.859 1.00 57.57 H new ATOM 0 HE21 GLN A 751 25.905 -10.643 15.033 1.00 65.87 H new ATOM 0 HE22 GLN A 751 24.433 -10.680 14.808 1.00 65.87 H new ATOM 410 N GLU A 752 27.877 -16.093 11.196 1.00 45.04 N ATOM 411 CA GLU A 752 27.738 -17.380 10.510 1.00 46.37 C ATOM 412 C GLU A 752 29.067 -18.141 10.443 1.00 45.37 C ATOM 413 O GLU A 752 29.124 -19.357 10.683 1.00 55.75 O ATOM 414 CB GLU A 752 27.168 -17.180 9.125 1.00 45.25 C ATOM 415 CG GLU A 752 25.692 -16.859 9.172 1.00 48.87 C ATOM 416 CD GLU A 752 25.117 -16.603 7.787 1.00 57.68 C ATOM 417 OE1 GLU A 752 25.920 -16.470 6.824 1.00 54.13 O ATOM 418 OE2 GLU A 752 23.858 -16.539 7.682 1.00 62.11 O ATOM 0 H GLU A 752 27.830 -15.410 10.676 1.00 45.04 H new ATOM 0 HA GLU A 752 27.122 -17.922 11.028 1.00 46.37 H new ATOM 0 HB2 GLU A 752 27.642 -16.460 8.680 1.00 45.25 H new ATOM 0 HB3 GLU A 752 27.309 -17.982 8.597 1.00 45.25 H new ATOM 0 HG2 GLU A 752 25.215 -17.595 9.588 1.00 48.87 H new ATOM 0 HG3 GLU A 752 25.550 -16.078 9.729 1.00 48.87 H new ATOM 419 N ARG A 753 30.140 -17.432 10.171 1.00 40.22 N ATOM 420 CA ARG A 753 31.478 -18.018 10.216 1.00 44.46 C ATOM 421 C ARG A 753 31.921 -18.464 11.598 1.00 50.84 C ATOM 422 O ARG A 753 32.694 -19.418 11.655 1.00 65.88 O ATOM 423 CB ARG A 753 32.534 -17.107 9.604 1.00 46.47 C ATOM 424 CG ARG A 753 32.371 -17.000 8.087 1.00 54.78 C ATOM 425 CD ARG A 753 33.332 -16.003 7.412 1.00 58.34 C ATOM 426 NE ARG A 753 33.442 -16.283 5.978 1.00 57.51 N ATOM 427 CZ ARG A 753 33.815 -15.410 5.048 1.00 68.48 C ATOM 428 NH1 ARG A 753 34.141 -14.143 5.352 1.00 66.34 N ATOM 429 NH2 ARG A 753 33.862 -15.816 3.782 1.00 73.14 N ATOM 0 H ARG A 753 30.124 -16.600 9.955 1.00 40.22 H new ATOM 0 HA ARG A 753 31.399 -18.819 9.674 1.00 44.46 H new ATOM 0 HB2 ARG A 753 32.470 -16.224 10.000 1.00 46.47 H new ATOM 0 HB3 ARG A 753 33.418 -17.448 9.812 1.00 46.47 H new ATOM 0 HG2 ARG A 753 32.505 -17.877 7.696 1.00 54.78 H new ATOM 0 HG3 ARG A 753 31.458 -16.738 7.889 1.00 54.78 H new ATOM 0 HD2 ARG A 753 33.013 -15.097 7.546 1.00 58.34 H new ATOM 0 HD3 ARG A 753 34.208 -16.059 7.826 1.00 58.34 H new ATOM 0 HE ARG A 753 33.249 -17.079 5.716 1.00 57.51 H new ATOM 0 HH11 ARG A 753 34.112 -13.876 6.169 1.00 66.34 H new ATOM 0 HH12 ARG A 753 34.379 -13.599 4.730 1.00 66.34 H new ATOM 0 HH21 ARG A 753 33.654 -16.626 3.582 1.00 73.14 H new ATOM 0 HH22 ARG A 753 34.101 -15.268 3.163 1.00 73.14 H new ATOM 430 N CYS A 754 31.436 -17.832 12.684 1.00 39.48 N ATOM 431 CA ACYS A 754 31.825 -18.184 14.046 0.55 41.76 C ATOM 432 CA BCYS A 754 31.874 -18.130 14.066 0.45 39.66 C ATOM 433 C CYS A 754 30.641 -18.132 14.981 1.00 39.89 C ATOM 434 O CYS A 754 30.418 -17.158 15.705 1.00 36.34 O ATOM 435 CB ACYS A 754 32.966 -17.310 14.516 0.55 43.89 C ATOM 436 CB BCYS A 754 32.930 -17.083 14.530 0.45 39.05 C ATOM 437 SG ACYS A 754 34.479 -17.962 13.799 0.55 49.52 S ATOM 438 SG BCYS A 754 33.937 -17.386 16.036 0.45 38.28 S ATOM 0 H ACYS A 754 30.870 -17.186 12.641 0.55 39.48 H new ATOM 0 H BCYS A 754 30.840 -17.214 12.639 0.45 39.48 H new ATOM 0 HA ACYS A 754 32.143 -19.100 14.049 0.55 39.66 H new ATOM 0 HA BCYS A 754 32.295 -19.003 14.106 0.45 39.66 H new ATOM 0 HB2ACYS A 754 32.827 -16.390 14.241 0.55 39.05 H new ATOM 0 HB2BCYS A 754 33.547 -16.952 13.793 0.45 39.05 H new ATOM 0 HB3ACYS A 754 33.020 -17.311 15.485 0.55 39.05 H new ATOM 0 HB3BCYS A 754 32.463 -16.243 14.661 0.45 39.05 H new ATOM 0 HG BCYS A 754 34.314 -18.525 16.043 0.45 38.28 H new ATOM 439 N PRO A 755 29.830 -19.217 14.965 1.00 35.85 N ATOM 440 CA PRO A 755 28.574 -19.182 15.737 1.00 34.96 C ATOM 441 C PRO A 755 28.774 -18.977 17.246 1.00 34.10 C ATOM 442 O PRO A 755 27.893 -18.373 17.903 1.00 34.85 O ATOM 443 CB PRO A 755 27.911 -20.557 15.447 1.00 39.82 C ATOM 444 CG PRO A 755 28.589 -21.043 14.159 1.00 40.49 C ATOM 445 CD PRO A 755 29.968 -20.474 14.150 1.00 39.72 C ATOM 0 HA PRO A 755 28.031 -18.424 15.471 1.00 34.96 H new ATOM 0 HB2 PRO A 755 28.053 -21.179 16.178 1.00 39.82 H new ATOM 0 HB3 PRO A 755 26.952 -20.470 15.331 1.00 39.82 H new ATOM 0 HG2 PRO A 755 28.618 -22.012 14.131 1.00 40.49 H new ATOM 0 HG3 PRO A 755 28.092 -20.751 13.379 1.00 40.49 H new ATOM 0 HD2 PRO A 755 30.610 -21.086 14.542 1.00 39.72 H new ATOM 0 HD3 PRO A 755 30.271 -20.284 13.248 1.00 39.72 H new ATOM 446 N GLU A 756 29.949 -19.382 17.737 1.00 31.80 N ATOM 447 CA GLU A 756 30.324 -19.206 19.143 1.00 33.20 C ATOM 448 C GLU A 756 30.553 -17.766 19.549 1.00 35.28 C ATOM 449 O GLU A 756 30.545 -17.463 20.743 1.00 30.68 O ATOM 450 CB GLU A 756 31.517 -20.101 19.543 1.00 36.47 C ATOM 451 CG GLU A 756 32.867 -19.697 19.006 1.00 45.81 C ATOM 452 CD GLU A 756 33.111 -20.095 17.534 1.00 52.65 C ATOM 453 OE1 GLU A 756 32.156 -20.362 16.740 1.00 53.39 O ATOM 454 OE2 GLU A 756 34.298 -20.131 17.137 1.00 60.38 O ATOM 0 H GLU A 756 30.553 -19.768 17.261 1.00 31.80 H new ATOM 0 HA GLU A 756 29.547 -19.499 19.645 1.00 33.20 H new ATOM 0 HB2 GLU A 756 31.569 -20.123 20.511 1.00 36.47 H new ATOM 0 HB3 GLU A 756 31.331 -21.006 19.248 1.00 36.47 H new ATOM 0 HG2 GLU A 756 32.962 -18.735 19.090 1.00 45.81 H new ATOM 0 HG3 GLU A 756 33.556 -20.099 19.557 1.00 45.81 H new ATOM 455 N SER A 757 30.722 -16.883 18.538 1.00 32.42 N ATOM 456 CA SER A 757 30.845 -15.433 18.750 1.00 30.03 C ATOM 457 C SER A 757 29.582 -14.864 19.403 1.00 32.69 C ATOM 458 O SER A 757 29.643 -13.804 19.958 1.00 31.56 O ATOM 459 CB SER A 757 31.144 -14.725 17.378 1.00 32.42 C ATOM 460 OG SER A 757 29.937 -14.682 16.574 1.00 35.49 O ATOM 0 H SER A 757 30.768 -17.117 17.712 1.00 32.42 H new ATOM 0 HA SER A 757 31.583 -15.264 19.356 1.00 30.03 H new ATOM 0 HB2 SER A 757 31.471 -13.825 17.533 1.00 32.42 H new ATOM 0 HB3 SER A 757 31.842 -15.203 16.903 1.00 32.42 H new ATOM 0 HG SER A 757 29.849 -15.408 16.161 1.00 35.49 H new ATOM 461 N GLN A 758 28.459 -15.582 19.389 1.00 28.52 N ATOM 462 CA GLN A 758 27.241 -15.177 20.058 1.00 31.60 C ATOM 463 C GLN A 758 27.061 -15.662 21.475 1.00 25.97 C ATOM 464 O GLN A 758 26.072 -15.263 22.094 1.00 25.90 O ATOM 465 CB GLN A 758 25.993 -15.607 19.259 1.00 35.29 C ATOM 466 CG GLN A 758 25.938 -15.063 17.828 1.00 45.11 C ATOM 467 CD GLN A 758 25.013 -15.951 17.008 1.00 61.15 C ATOM 468 OE1 GLN A 758 25.420 -17.043 16.516 1.00 71.05 O ATOM 469 NE2 GLN A 758 23.743 -15.553 16.936 1.00 60.10 N ATOM 0 H GLN A 758 28.390 -16.335 18.979 1.00 28.52 H new ATOM 0 HA GLN A 758 27.336 -14.213 20.103 1.00 31.60 H new ATOM 0 HB2 GLN A 758 25.962 -16.576 19.226 1.00 35.29 H new ATOM 0 HB3 GLN A 758 25.201 -15.314 19.735 1.00 35.29 H new ATOM 0 HG2 GLN A 758 25.615 -14.148 17.827 1.00 45.11 H new ATOM 0 HG3 GLN A 758 26.826 -15.050 17.438 1.00 45.11 H new ATOM 0 HE21 GLN A 758 23.507 -14.803 17.284 1.00 60.10 H new ATOM 0 HE22 GLN A 758 23.159 -16.047 16.542 1.00 60.10 H new ATOM 470 N SER A 759 27.983 -16.479 21.992 1.00 25.24 N ATOM 471 CA SER A 759 27.927 -16.829 23.401 1.00 23.51 C ATOM 472 C SER A 759 28.220 -15.543 24.211 1.00 28.80 C ATOM 473 O SER A 759 28.902 -14.618 23.711 1.00 26.18 O ATOM 474 CB SER A 759 28.952 -17.935 23.765 1.00 25.65 C ATOM 475 OG SER A 759 28.617 -19.128 23.059 1.00 23.87 O ATOM 0 H SER A 759 28.632 -16.831 21.551 1.00 25.24 H new ATOM 0 HA SER A 759 27.049 -17.184 23.610 1.00 23.51 H new ATOM 0 HB2 SER A 759 29.850 -17.649 23.533 1.00 25.65 H new ATOM 0 HB3 SER A 759 28.944 -18.098 24.721 1.00 25.65 H new ATOM 0 HG SER A 759 29.191 -19.720 23.221 1.00 23.87 H new ATOM 476 N GLY A 760 27.769 -15.514 25.450 1.00 24.26 N ATOM 477 CA GLY A 760 27.827 -14.276 26.235 1.00 27.05 C ATOM 478 C GLY A 760 29.233 -13.867 26.580 1.00 27.07 C ATOM 479 O GLY A 760 30.126 -14.733 26.843 1.00 26.59 O ATOM 0 H GLY A 760 27.427 -16.188 25.860 1.00 24.26 H new ATOM 0 HA2 GLY A 760 27.401 -13.562 25.736 1.00 27.05 H new ATOM 0 HA3 GLY A 760 27.319 -14.393 27.053 1.00 27.05 H new ATOM 480 N HIS A 761 29.467 -12.539 26.590 1.00 23.18 N ATOM 481 CA HIS A 761 30.700 -11.959 26.946 1.00 23.11 C ATOM 482 C HIS A 761 30.529 -10.948 28.058 1.00 22.72 C ATOM 483 O HIS A 761 29.465 -10.428 28.286 1.00 21.90 O ATOM 484 CB HIS A 761 31.302 -11.184 25.757 1.00 23.66 C ATOM 485 CG HIS A 761 31.573 -12.013 24.557 1.00 26.84 C ATOM 486 ND1 HIS A 761 30.586 -12.352 23.659 1.00 28.13 N ATOM 487 CD2 HIS A 761 32.717 -12.566 24.099 1.00 32.76 C ATOM 488 CE1 HIS A 761 31.118 -13.068 22.689 1.00 30.21 C ATOM 489 NE2 HIS A 761 32.403 -13.221 22.935 1.00 33.01 N ATOM 0 H HIS A 761 28.868 -11.960 26.376 1.00 23.18 H new ATOM 0 HA HIS A 761 31.275 -12.689 27.224 1.00 23.11 H new ATOM 0 HB2 HIS A 761 30.695 -10.468 25.511 1.00 23.66 H new ATOM 0 HB3 HIS A 761 32.130 -10.768 26.043 1.00 23.66 H new ATOM 0 HD1 HIS A 761 29.757 -12.132 23.721 1.00 28.13 H new ATOM 0 HD2 HIS A 761 33.556 -12.513 24.496 1.00 32.76 H new ATOM 0 HE1 HIS A 761 30.662 -13.409 21.953 1.00 30.21 H new ATOM 490 N GLN A 762 31.637 -10.652 28.756 1.00 25.69 N ATOM 491 CA GLN A 762 31.673 -9.652 29.791 1.00 24.92 C ATOM 492 C GLN A 762 31.984 -8.294 29.112 1.00 22.11 C ATOM 493 O GLN A 762 32.872 -8.217 28.309 1.00 21.92 O ATOM 494 CB GLN A 762 32.794 -9.912 30.785 1.00 28.95 C ATOM 495 CG GLN A 762 32.551 -11.190 31.635 1.00 33.87 C ATOM 496 CD GLN A 762 31.251 -11.121 32.424 1.00 41.63 C ATOM 497 OE1 GLN A 762 30.244 -11.812 32.106 1.00 46.42 O ATOM 498 NE2 GLN A 762 31.233 -10.282 33.426 1.00 47.38 N ATOM 0 H GLN A 762 32.392 -11.042 28.627 1.00 25.69 H new ATOM 0 HA GLN A 762 30.824 -9.662 30.259 1.00 24.92 H new ATOM 0 HB2 GLN A 762 33.633 -10.000 30.306 1.00 28.95 H new ATOM 0 HB3 GLN A 762 32.883 -9.147 31.375 1.00 28.95 H new ATOM 0 HG2 GLN A 762 32.532 -11.965 31.052 1.00 33.87 H new ATOM 0 HG3 GLN A 762 33.293 -11.314 32.248 1.00 33.87 H new ATOM 0 HE21 GLN A 762 31.936 -9.825 33.617 1.00 47.38 H new ATOM 0 HE22 GLN A 762 30.518 -10.186 33.894 1.00 47.38 H new ATOM 499 N GLU A 763 31.273 -7.270 29.523 1.00 22.82 N ATOM 500 CA GLU A 763 31.498 -5.922 28.932 1.00 24.95 C ATOM 501 C GLU A 763 32.921 -5.463 29.091 1.00 22.42 C ATOM 502 O GLU A 763 33.551 -4.916 28.159 1.00 21.44 O ATOM 503 CB GLU A 763 30.538 -4.899 29.553 1.00 25.79 C ATOM 504 CG GLU A 763 30.844 -3.473 29.023 1.00 25.77 C ATOM 505 CD GLU A 763 29.920 -2.346 29.443 1.00 30.19 C ATOM 506 OE1 GLU A 763 28.739 -2.437 29.423 1.00 30.78 O ATOM 507 OE2 GLU A 763 30.431 -1.324 29.854 1.00 32.54 O ATOM 0 H GLU A 763 30.663 -7.307 30.128 1.00 22.82 H new ATOM 0 HA GLU A 763 31.320 -5.992 27.981 1.00 24.95 H new ATOM 0 HB2 GLU A 763 29.622 -5.138 29.343 1.00 25.79 H new ATOM 0 HB3 GLU A 763 30.621 -4.915 30.519 1.00 25.79 H new ATOM 0 HG2 GLU A 763 31.744 -3.239 29.300 1.00 25.77 H new ATOM 0 HG3 GLU A 763 30.847 -3.510 28.054 1.00 25.77 H new ATOM 508 N SER A 764 33.520 -5.782 30.265 1.00 23.26 N ATOM 509 CA SER A 764 34.899 -5.338 30.500 1.00 24.38 C ATOM 510 C SER A 764 35.903 -5.941 29.518 1.00 23.03 C ATOM 511 O SER A 764 36.797 -5.215 29.040 1.00 26.25 O ATOM 512 CB SER A 764 35.238 -5.604 31.989 1.00 29.64 C ATOM 513 OG SER A 764 35.115 -6.994 32.290 1.00 32.55 O ATOM 0 H SER A 764 33.159 -6.232 30.902 1.00 23.26 H new ATOM 0 HA SER A 764 34.969 -4.386 30.327 1.00 24.38 H new ATOM 0 HB2 SER A 764 36.141 -5.305 32.179 1.00 29.64 H new ATOM 0 HB3 SER A 764 34.644 -5.091 32.558 1.00 29.64 H new ATOM 0 HG SER A 764 34.311 -7.176 32.449 1.00 32.55 H new ATOM 514 N GLU A 765 35.725 -7.212 29.100 1.00 21.96 N ATOM 515 CA GLU A 765 36.552 -7.817 28.094 1.00 25.02 C ATOM 516 C GLU A 765 36.297 -7.206 26.711 1.00 21.40 C ATOM 517 O GLU A 765 37.253 -6.921 25.981 1.00 23.76 O ATOM 518 CB GLU A 765 36.321 -9.364 28.037 1.00 26.79 C ATOM 519 CG GLU A 765 37.099 -10.087 26.902 1.00 29.83 C ATOM 520 CD GLU A 765 36.359 -10.227 25.544 1.00 32.98 C ATOM 521 OE1 GLU A 765 35.115 -10.431 25.528 1.00 33.42 O ATOM 522 OE2 GLU A 765 37.042 -10.178 24.478 1.00 34.49 O ATOM 0 H GLU A 765 35.112 -7.731 29.407 1.00 21.96 H new ATOM 0 HA GLU A 765 37.474 -7.642 28.340 1.00 25.02 H new ATOM 0 HB2 GLU A 765 36.579 -9.750 28.888 1.00 26.79 H new ATOM 0 HB3 GLU A 765 35.373 -9.535 27.924 1.00 26.79 H new ATOM 0 HG2 GLU A 765 37.929 -9.609 26.749 1.00 29.83 H new ATOM 0 HG3 GLU A 765 37.336 -10.975 27.213 1.00 29.83 H new ATOM 523 N VAL A 766 35.022 -6.966 26.391 1.00 19.56 N ATOM 524 CA VAL A 766 34.712 -6.372 25.082 1.00 19.59 C ATOM 525 C VAL A 766 35.408 -5.028 24.944 1.00 17.37 C ATOM 526 O VAL A 766 35.945 -4.726 23.902 1.00 19.82 O ATOM 527 CB VAL A 766 33.187 -6.280 24.923 1.00 21.24 C ATOM 528 CG1 VAL A 766 32.810 -5.415 23.701 1.00 21.31 C ATOM 529 CG2 VAL A 766 32.643 -7.712 24.829 1.00 23.84 C ATOM 0 H VAL A 766 34.344 -7.131 26.894 1.00 19.56 H new ATOM 0 HA VAL A 766 35.047 -6.930 24.363 1.00 19.59 H new ATOM 0 HB VAL A 766 32.785 -5.839 25.687 1.00 21.24 H new ATOM 0 HG11 VAL A 766 31.844 -5.371 23.621 1.00 21.31 H new ATOM 0 HG12 VAL A 766 33.165 -4.520 23.816 1.00 21.31 H new ATOM 0 HG13 VAL A 766 33.183 -5.810 22.897 1.00 21.31 H new ATOM 0 HG21 VAL A 766 31.679 -7.686 24.728 1.00 23.84 H new ATOM 0 HG22 VAL A 766 33.036 -8.158 24.063 1.00 23.84 H new ATOM 0 HG23 VAL A 766 32.870 -8.198 25.637 1.00 23.84 H new ATOM 530 N LEU A 767 35.335 -4.204 25.972 1.00 18.72 N ATOM 531 CA LEU A 767 35.850 -2.811 25.870 1.00 19.49 C ATOM 532 C LEU A 767 37.356 -2.780 25.643 1.00 21.98 C ATOM 533 O LEU A 767 37.898 -1.943 24.921 1.00 21.86 O ATOM 534 CB LEU A 767 35.435 -1.948 27.042 1.00 20.24 C ATOM 535 CG LEU A 767 33.959 -1.730 27.262 1.00 25.10 C ATOM 536 CD1 LEU A 767 33.809 -0.839 28.483 1.00 29.13 C ATOM 537 CD2 LEU A 767 33.277 -1.083 26.085 1.00 23.26 C ATOM 0 H LEU A 767 34.999 -4.410 26.736 1.00 18.72 H new ATOM 0 HA LEU A 767 35.433 -2.421 25.086 1.00 19.49 H new ATOM 0 HB2 LEU A 767 35.802 -2.343 27.848 1.00 20.24 H new ATOM 0 HB3 LEU A 767 35.853 -1.079 26.936 1.00 20.24 H new ATOM 0 HG LEU A 767 33.535 -2.594 27.384 1.00 25.10 H new ATOM 0 HD11 LEU A 767 32.868 -0.678 28.653 1.00 29.13 H new ATOM 0 HD12 LEU A 767 34.206 -1.275 29.253 1.00 29.13 H new ATOM 0 HD13 LEU A 767 34.257 0.006 28.324 1.00 29.13 H new ATOM 0 HD21 LEU A 767 32.334 -0.967 26.281 1.00 23.26 H new ATOM 0 HD22 LEU A 767 33.680 -0.217 25.913 1.00 23.26 H new ATOM 0 HD23 LEU A 767 33.378 -1.647 25.302 1.00 23.26 H new ATOM 538 N MET A 768 38.092 -3.783 26.228 1.00 21.58 N ATOM 539 CA MET A 768 39.528 -3.827 25.975 1.00 22.48 C ATOM 540 C MET A 768 39.978 -4.384 24.656 1.00 23.25 C ATOM 541 O MET A 768 41.189 -4.296 24.323 1.00 22.86 O ATOM 542 CB MET A 768 40.207 -4.640 27.090 1.00 26.07 C ATOM 543 CG MET A 768 40.103 -3.917 28.376 1.00 31.69 C ATOM 544 SD MET A 768 40.657 -2.171 28.438 1.00 55.59 S ATOM 545 CE MET A 768 42.316 -2.235 27.768 1.00 45.23 C ATOM 0 H MET A 768 37.781 -4.400 26.740 1.00 21.58 H new ATOM 0 HA MET A 768 39.789 -2.893 25.954 1.00 22.48 H new ATOM 0 HB2 MET A 768 39.789 -5.512 27.166 1.00 26.07 H new ATOM 0 HB3 MET A 768 41.139 -4.791 26.869 1.00 26.07 H new ATOM 0 HG2 MET A 768 39.175 -3.943 28.656 1.00 31.69 H new ATOM 0 HG3 MET A 768 40.612 -4.413 29.036 1.00 31.69 H new ATOM 0 HE1 MET A 768 42.662 -1.334 27.672 1.00 45.23 H new ATOM 0 HE2 MET A 768 42.888 -2.738 28.368 1.00 45.23 H new ATOM 0 HE3 MET A 768 42.298 -2.668 26.900 1.00 45.23 H new ATOM 546 N ARG A 769 39.054 -4.838 23.815 1.00 19.53 N ATOM 547 CA ARG A 769 39.452 -5.348 22.526 1.00 21.48 C ATOM 548 C ARG A 769 40.074 -4.296 21.658 1.00 24.35 C ATOM 549 O ARG A 769 39.504 -3.236 21.519 1.00 20.19 O ATOM 550 CB ARG A 769 38.339 -6.007 21.776 1.00 22.37 C ATOM 551 CG ARG A 769 37.788 -7.224 22.452 1.00 23.84 C ATOM 552 CD ARG A 769 36.674 -7.766 21.633 1.00 26.44 C ATOM 553 NE ARG A 769 35.962 -8.767 22.371 1.00 28.66 N ATOM 554 CZ ARG A 769 34.782 -9.252 22.014 1.00 29.31 C ATOM 555 NH1 ARG A 769 34.142 -8.789 20.945 1.00 30.85 N ATOM 556 NH2 ARG A 769 34.221 -10.160 22.756 1.00 30.40 N ATOM 0 H ARG A 769 38.209 -4.857 23.974 1.00 19.53 H new ATOM 0 HA ARG A 769 40.117 -6.023 22.731 1.00 21.48 H new ATOM 0 HB2 ARG A 769 37.622 -5.366 21.649 1.00 22.37 H new ATOM 0 HB3 ARG A 769 38.657 -6.254 20.894 1.00 22.37 H new ATOM 0 HG2 ARG A 769 38.483 -7.893 22.558 1.00 23.84 H new ATOM 0 HG3 ARG A 769 37.472 -7.000 23.341 1.00 23.84 H new ATOM 0 HD2 ARG A 769 36.071 -7.050 21.381 1.00 26.44 H new ATOM 0 HD3 ARG A 769 37.022 -8.146 20.811 1.00 26.44 H new ATOM 0 HE ARG A 769 36.323 -9.072 23.090 1.00 28.66 H new ATOM 0 HH11 ARG A 769 34.493 -8.163 20.471 1.00 30.85 H new ATOM 0 HH12 ARG A 769 33.377 -9.115 20.727 1.00 30.85 H new ATOM 0 HH21 ARG A 769 34.616 -10.438 23.468 1.00 30.40 H new ATOM 0 HH22 ARG A 769 33.455 -10.483 22.535 1.00 30.40 H new ATOM 557 N GLN A 770 41.154 -4.655 20.989 1.00 21.35 N ATOM 558 CA GLN A 770 41.726 -3.820 19.982 1.00 23.27 C ATOM 559 C GLN A 770 40.796 -3.695 18.776 1.00 20.19 C ATOM 560 O GLN A 770 40.080 -4.657 18.395 1.00 22.76 O ATOM 561 CB GLN A 770 43.096 -4.392 19.500 1.00 25.09 C ATOM 562 CG GLN A 770 44.056 -4.243 20.652 1.00 29.16 C ATOM 563 CD GLN A 770 45.429 -4.825 20.372 1.00 34.91 C ATOM 564 OE1 GLN A 770 45.837 -4.975 19.229 1.00 44.24 O ATOM 565 NE2 GLN A 770 46.113 -5.196 21.428 1.00 42.96 N ATOM 0 H GLN A 770 41.571 -5.396 21.114 1.00 21.35 H new ATOM 0 HA GLN A 770 41.858 -2.944 20.378 1.00 23.27 H new ATOM 0 HB2 GLN A 770 43.009 -5.323 19.242 1.00 25.09 H new ATOM 0 HB3 GLN A 770 43.415 -3.911 18.721 1.00 25.09 H new ATOM 0 HG2 GLN A 770 44.149 -3.302 20.867 1.00 29.16 H new ATOM 0 HG3 GLN A 770 43.682 -4.677 21.434 1.00 29.16 H new ATOM 0 HE21 GLN A 770 45.789 -5.072 22.215 1.00 42.96 H new ATOM 0 HE22 GLN A 770 46.885 -5.563 21.333 1.00 42.96 H new ATOM 566 N MET A 771 40.839 -2.526 18.156 1.00 19.49 N ATOM 567 CA MET A 771 40.055 -2.301 16.965 1.00 21.22 C ATOM 568 C MET A 771 40.585 -2.931 15.647 1.00 21.22 C ATOM 569 O MET A 771 40.868 -2.235 14.698 1.00 21.98 O ATOM 570 CB MET A 771 39.793 -0.803 16.808 1.00 21.79 C ATOM 571 CG MET A 771 38.919 -0.252 17.845 1.00 27.14 C ATOM 572 SD MET A 771 37.121 -0.612 17.504 1.00 25.01 S ATOM 573 CE MET A 771 36.750 1.050 16.944 1.00 27.22 C ATOM 0 H MET A 771 41.314 -1.856 18.410 1.00 19.49 H new ATOM 0 HA MET A 771 39.228 -2.787 17.111 1.00 21.22 H new ATOM 0 HB2 MET A 771 40.640 -0.330 16.824 1.00 21.79 H new ATOM 0 HB3 MET A 771 39.394 -0.641 15.939 1.00 21.79 H new ATOM 0 HG2 MET A 771 39.165 -0.624 18.706 1.00 27.14 H new ATOM 0 HG3 MET A 771 39.051 0.707 17.902 1.00 27.14 H new ATOM 0 HE1 MET A 771 35.851 1.076 16.580 1.00 27.22 H new ATOM 0 HE2 MET A 771 36.813 1.665 17.691 1.00 27.22 H new ATOM 0 HE3 MET A 771 37.384 1.310 16.258 1.00 27.22 H new ATOM 574 N LEU A 772 40.652 -4.288 15.633 1.00 21.95 N ATOM 575 CA LEU A 772 40.938 -5.018 14.449 1.00 24.30 C ATOM 576 C LEU A 772 39.712 -4.887 13.513 1.00 23.01 C ATOM 577 O LEU A 772 38.624 -4.425 13.999 1.00 22.71 O ATOM 578 CB LEU A 772 41.130 -6.494 14.801 1.00 28.07 C ATOM 579 CG LEU A 772 42.402 -6.749 15.623 1.00 34.13 C ATOM 580 CD1 LEU A 772 42.454 -8.267 15.915 1.00 37.13 C ATOM 581 CD2 LEU A 772 43.605 -6.335 14.821 1.00 33.50 C ATOM 0 H LEU A 772 40.528 -4.779 16.328 1.00 21.95 H new ATOM 0 HA LEU A 772 41.741 -4.679 14.024 1.00 24.30 H new ATOM 0 HB2 LEU A 772 40.359 -6.806 15.300 1.00 28.07 H new ATOM 0 HB3 LEU A 772 41.168 -7.015 13.984 1.00 28.07 H new ATOM 0 HG LEU A 772 42.397 -6.241 16.450 1.00 34.13 H new ATOM 0 HD11 LEU A 772 43.247 -8.470 16.435 1.00 37.13 H new ATOM 0 HD12 LEU A 772 41.665 -8.528 16.415 1.00 37.13 H new ATOM 0 HD13 LEU A 772 42.483 -8.757 15.078 1.00 37.13 H new ATOM 0 HD21 LEU A 772 44.410 -6.495 15.338 1.00 33.50 H new ATOM 0 HD22 LEU A 772 43.640 -6.851 14.001 1.00 33.50 H new ATOM 0 HD23 LEU A 772 43.542 -5.391 14.606 1.00 33.50 H new ATOM 582 N PRO A 773 39.823 -5.328 12.245 1.00 25.46 N ATOM 583 CA PRO A 773 38.762 -5.165 11.289 1.00 24.33 C ATOM 584 C PRO A 773 37.356 -5.601 11.720 1.00 26.57 C ATOM 585 O PRO A 773 36.370 -4.856 11.433 1.00 24.75 O ATOM 586 CB PRO A 773 39.265 -6.019 10.088 1.00 24.30 C ATOM 587 CG PRO A 773 40.687 -5.763 10.095 1.00 25.86 C ATOM 588 CD PRO A 773 41.050 -5.804 11.555 1.00 26.14 C ATOM 0 HA PRO A 773 38.618 -4.222 11.115 1.00 24.33 H new ATOM 0 HB2 PRO A 773 39.067 -6.961 10.207 1.00 24.30 H new ATOM 0 HB3 PRO A 773 38.853 -5.746 9.253 1.00 24.30 H new ATOM 0 HG2 PRO A 773 41.172 -6.433 9.588 1.00 25.86 H new ATOM 0 HG3 PRO A 773 40.896 -4.902 9.700 1.00 25.86 H new ATOM 0 HD2 PRO A 773 41.290 -6.701 11.836 1.00 26.14 H new ATOM 0 HD3 PRO A 773 41.810 -5.233 11.748 1.00 26.14 H new ATOM 589 N GLU A 774 37.225 -6.736 12.407 1.00 25.23 N ATOM 590 CA AGLU A 774 35.942 -7.229 12.916 0.49 26.87 C ATOM 591 CA BGLU A 774 35.901 -7.167 12.841 0.51 26.54 C ATOM 592 C GLU A 774 35.302 -6.271 13.942 1.00 23.60 C ATOM 593 O GLU A 774 34.096 -5.948 13.888 1.00 21.30 O ATOM 594 CB AGLU A 774 36.116 -8.612 13.552 0.49 28.73 C ATOM 595 CB BGLU A 774 35.861 -8.663 13.164 0.51 27.16 C ATOM 596 CG AGLU A 774 34.812 -9.290 13.920 0.49 30.20 C ATOM 597 CG BGLU A 774 36.018 -9.448 11.883 0.51 27.15 C ATOM 598 CD AGLU A 774 35.009 -10.661 14.517 0.49 34.72 C ATOM 599 CD BGLU A 774 35.694 -10.909 12.010 0.51 31.58 C ATOM 600 OE1AGLU A 774 35.823 -11.423 13.975 0.49 36.85 O ATOM 601 OE1BGLU A 774 35.480 -11.400 13.122 0.51 36.36 O ATOM 602 OE2AGLU A 774 34.347 -10.955 15.532 0.49 36.57 O ATOM 603 OE2BGLU A 774 35.594 -11.522 10.943 0.51 34.40 O ATOM 0 H AGLU A 774 37.889 -7.250 12.594 0.49 25.23 H new ATOM 0 H BGLU A 774 37.873 -7.257 12.626 0.51 25.23 H new ATOM 0 HA AGLU A 774 35.345 -7.286 12.154 0.49 26.54 H new ATOM 0 HA BGLU A 774 35.307 -7.046 12.084 0.51 26.54 H new ATOM 0 HB2AGLU A 774 36.604 -9.182 12.937 0.49 27.16 H new ATOM 0 HB2BGLU A 774 36.570 -8.891 13.785 0.51 27.16 H new ATOM 0 HB3AGLU A 774 36.661 -8.525 14.350 0.49 27.16 H new ATOM 0 HB3BGLU A 774 35.022 -8.890 13.595 0.51 27.16 H new ATOM 0 HG2AGLU A 774 34.331 -8.733 14.552 0.49 27.15 H new ATOM 0 HG2BGLU A 774 35.445 -9.058 11.205 0.51 27.15 H new ATOM 0 HG3AGLU A 774 34.257 -9.364 13.128 0.49 27.15 H new ATOM 0 HG3BGLU A 774 36.931 -9.356 11.569 0.51 27.15 H new ATOM 604 N GLU A 775 36.110 -5.807 14.883 1.00 20.93 N ATOM 605 CA AGLU A 775 35.617 -4.875 15.886 0.55 23.01 C ATOM 606 CA BGLU A 775 35.657 -4.853 15.898 0.45 21.42 C ATOM 607 C GLU A 775 35.312 -3.479 15.310 1.00 20.50 C ATOM 608 O GLU A 775 34.302 -2.857 15.740 1.00 20.71 O ATOM 609 CB AGLU A 775 36.568 -4.752 17.048 0.55 26.75 C ATOM 610 CB BGLU A 775 36.692 -4.668 16.991 0.45 22.71 C ATOM 611 CG AGLU A 775 36.989 -6.055 17.721 0.55 30.93 C ATOM 612 CG BGLU A 775 36.649 -5.725 18.093 0.45 22.94 C ATOM 613 CD AGLU A 775 35.841 -6.942 18.173 0.55 32.75 C ATOM 614 CD BGLU A 775 37.223 -7.082 17.608 0.45 26.45 C ATOM 615 OE1AGLU A 775 35.021 -6.440 18.903 0.55 34.58 O ATOM 616 OE1BGLU A 775 38.060 -7.091 16.664 0.45 29.81 O ATOM 617 OE2AGLU A 775 35.788 -8.142 17.834 0.55 38.75 O ATOM 618 OE2BGLU A 775 36.781 -8.127 18.144 0.45 26.18 O ATOM 0 H AGLU A 775 36.941 -6.016 14.959 0.55 20.93 H new ATOM 0 H BGLU A 775 36.937 -6.033 14.956 0.45 20.93 H new ATOM 0 HA AGLU A 775 34.781 -5.251 16.202 0.55 21.42 H new ATOM 0 HA BGLU A 775 34.850 -5.239 16.272 0.45 21.42 H new ATOM 0 HB2AGLU A 775 37.367 -4.297 16.740 0.55 22.71 H new ATOM 0 HB2BGLU A 775 37.575 -4.673 16.589 0.45 22.71 H new ATOM 0 HB3AGLU A 775 36.158 -4.183 17.718 0.55 22.71 H new ATOM 0 HB3BGLU A 775 36.568 -3.794 17.393 0.45 22.71 H new ATOM 0 HG2AGLU A 775 37.545 -6.557 17.105 0.55 22.94 H new ATOM 0 HG2BGLU A 775 37.156 -5.414 18.860 0.45 22.94 H new ATOM 0 HG3AGLU A 775 37.539 -5.843 18.491 0.55 22.94 H new ATOM 0 HG3BGLU A 775 35.733 -5.848 18.389 0.45 22.94 H new ATOM 619 N GLN A 776 36.129 -3.019 14.395 1.00 20.57 N ATOM 620 CA GLN A 776 35.867 -1.771 13.629 1.00 21.18 C ATOM 621 C GLN A 776 34.484 -1.896 13.013 1.00 18.69 C ATOM 622 O GLN A 776 33.663 -0.934 13.079 1.00 18.90 O ATOM 623 CB GLN A 776 36.979 -1.529 12.602 1.00 22.10 C ATOM 624 CG GLN A 776 36.814 -0.357 11.680 1.00 23.31 C ATOM 625 CD GLN A 776 37.161 0.981 12.255 1.00 22.49 C ATOM 626 OE1 GLN A 776 37.985 1.108 13.200 1.00 22.28 O ATOM 627 NE2 GLN A 776 36.548 2.027 11.703 1.00 24.30 N ATOM 0 H GLN A 776 36.865 -3.409 14.181 1.00 20.57 H new ATOM 0 HA GLN A 776 35.876 -0.989 14.203 1.00 21.18 H new ATOM 0 HB2 GLN A 776 37.814 -1.419 13.083 1.00 22.10 H new ATOM 0 HB3 GLN A 776 37.067 -2.328 12.060 1.00 22.10 H new ATOM 0 HG2 GLN A 776 37.364 -0.505 10.895 1.00 23.31 H new ATOM 0 HG3 GLN A 776 35.892 -0.331 11.379 1.00 23.31 H new ATOM 0 HE21 GLN A 776 35.990 1.908 11.059 1.00 24.30 H new ATOM 0 HE22 GLN A 776 36.710 2.821 11.990 1.00 24.30 H new ATOM 628 N LEU A 777 34.227 -2.998 12.269 1.00 18.97 N ATOM 629 CA LEU A 777 32.913 -3.192 11.659 1.00 20.68 C ATOM 630 C LEU A 777 31.760 -3.171 12.633 1.00 18.17 C ATOM 631 O LEU A 777 30.689 -2.524 12.371 1.00 18.73 O ATOM 632 CB LEU A 777 32.857 -4.541 10.925 1.00 24.56 C ATOM 633 CG LEU A 777 31.694 -4.654 9.947 1.00 30.20 C ATOM 634 CD1 LEU A 777 31.891 -3.659 8.822 1.00 33.31 C ATOM 635 CD2 LEU A 777 31.592 -6.136 9.548 1.00 34.50 C ATOM 0 H LEU A 777 34.795 -3.625 12.115 1.00 18.97 H new ATOM 0 HA LEU A 777 32.811 -2.439 11.056 1.00 20.68 H new ATOM 0 HB2 LEU A 777 33.689 -4.674 10.444 1.00 24.56 H new ATOM 0 HB3 LEU A 777 32.791 -5.254 11.579 1.00 24.56 H new ATOM 0 HG LEU A 777 30.833 -4.412 10.322 1.00 30.20 H new ATOM 0 HD11 LEU A 777 31.153 -3.727 8.196 1.00 33.31 H new ATOM 0 HD12 LEU A 777 31.924 -2.761 9.186 1.00 33.31 H new ATOM 0 HD13 LEU A 777 32.723 -3.851 8.362 1.00 33.31 H new ATOM 0 HD21 LEU A 777 30.860 -6.253 8.923 1.00 34.50 H new ATOM 0 HD22 LEU A 777 32.421 -6.417 9.131 1.00 34.50 H new ATOM 0 HD23 LEU A 777 31.430 -6.674 10.339 1.00 34.50 H new ATOM 636 N LYS A 778 31.915 -3.886 13.769 1.00 18.06 N ATOM 637 CA ALYS A 778 30.880 -3.903 14.787 0.17 18.17 C ATOM 638 CA BLYS A 778 30.888 -3.906 14.786 0.83 20.18 C ATOM 639 C LYS A 778 30.576 -2.502 15.303 1.00 16.17 C ATOM 640 O LYS A 778 29.382 -2.190 15.584 1.00 18.06 O ATOM 641 CB ALYS A 778 31.248 -4.836 15.940 0.17 18.65 C ATOM 642 CB BLYS A 778 31.201 -4.912 15.885 0.83 21.51 C ATOM 643 CG ALYS A 778 31.104 -6.311 15.595 0.17 19.51 C ATOM 644 CG BLYS A 778 31.025 -6.391 15.431 0.83 24.99 C ATOM 645 CD ALYS A 778 31.358 -7.196 16.807 0.17 20.22 C ATOM 646 CD BLYS A 778 31.428 -7.384 16.541 0.83 30.80 C ATOM 647 CE ALYS A 778 30.910 -8.602 16.492 0.17 21.34 C ATOM 648 CE BLYS A 778 31.117 -8.829 16.121 0.83 40.95 C ATOM 649 NZ ALYS A 778 31.574 -9.098 15.249 0.17 21.00 N ATOM 650 NZ BLYS A 778 30.861 -9.757 17.290 0.83 44.30 N ATOM 0 H ALYS A 778 32.610 -4.358 13.954 0.17 18.06 H new ATOM 0 H BLYS A 778 32.610 -4.358 13.952 0.83 18.06 H new ATOM 0 HA ALYS A 778 30.075 -4.245 14.368 0.17 20.18 H new ATOM 0 HA BLYS A 778 30.067 -4.219 14.375 0.83 20.18 H new ATOM 0 HB2ALYS A 778 32.164 -4.662 16.208 0.17 21.51 H new ATOM 0 HB2BLYS A 778 32.113 -4.779 16.187 0.83 21.51 H new ATOM 0 HB3ALYS A 778 30.685 -4.633 16.703 0.17 21.51 H new ATOM 0 HB3BLYS A 778 30.623 -4.742 16.645 0.83 21.51 H new ATOM 0 HG2ALYS A 778 30.212 -6.478 15.252 0.17 24.99 H new ATOM 0 HG2BLYS A 778 30.101 -6.544 15.180 0.83 24.99 H new ATOM 0 HG3ALYS A 778 31.727 -6.541 14.889 0.17 24.99 H new ATOM 0 HG3BLYS A 778 31.564 -6.553 14.641 0.83 24.99 H new ATOM 0 HD2ALYS A 778 32.301 -7.188 17.036 0.17 30.80 H new ATOM 0 HD2BLYS A 778 32.375 -7.295 16.732 0.83 30.80 H new ATOM 0 HD3ALYS A 778 30.876 -6.856 17.577 0.17 30.80 H new ATOM 0 HD3BLYS A 778 30.952 -7.171 17.359 0.83 30.80 H new ATOM 0 HE2ALYS A 778 31.122 -9.189 17.235 0.17 40.95 H new ATOM 0 HE2BLYS A 778 30.339 -8.829 15.541 0.83 40.95 H new ATOM 0 HE3ALYS A 778 29.947 -8.623 16.381 0.17 40.95 H new ATOM 0 HE3BLYS A 778 31.859 -9.174 15.600 0.83 40.95 H new ATOM 0 HZ1ALYS A 778 31.853 -9.934 15.375 0.17 44.30 H new ATOM 0 HZ1BLYS A 778 30.687 -10.576 16.987 0.83 44.30 H new ATOM 0 HZ2ALYS A 778 30.994 -9.078 14.574 0.17 44.30 H new ATOM 0 HZ2BLYS A 778 31.581 -9.781 17.813 0.83 44.30 H new ATOM 0 HZ3ALYS A 778 32.271 -8.578 15.057 0.17 44.30 H new ATOM 0 HZ3BLYS A 778 30.164 -9.460 17.758 0.83 44.30 H new ATOM 651 N CYS A 779 31.630 -1.713 15.535 1.00 16.27 N ATOM 652 CA CYS A 779 31.362 -0.333 16.080 1.00 16.14 C ATOM 653 C CYS A 779 30.688 0.498 14.983 1.00 16.22 C ATOM 654 O CYS A 779 29.797 1.288 15.299 1.00 15.85 O ATOM 655 CB CYS A 779 32.606 0.384 16.483 1.00 16.19 C ATOM 656 SG CYS A 779 33.386 -0.374 17.966 1.00 19.26 S ATOM 0 H CYS A 779 32.455 -1.918 15.402 1.00 16.27 H new ATOM 0 HA CYS A 779 30.804 -0.438 16.867 1.00 16.14 H new ATOM 0 HB2 CYS A 779 33.237 0.375 15.746 1.00 16.19 H new ATOM 0 HB3 CYS A 779 32.398 1.313 16.667 1.00 16.19 H new ATOM 0 HG CYS A 779 33.115 0.276 18.938 1.00 19.26 H new ATOM 657 N GLU A 780 31.106 0.355 13.726 1.00 17.70 N ATOM 658 CA GLU A 780 30.368 1.043 12.596 1.00 18.15 C ATOM 659 C GLU A 780 28.909 0.689 12.558 1.00 17.10 C ATOM 660 O GLU A 780 28.032 1.575 12.402 1.00 18.14 O ATOM 661 CB GLU A 780 31.091 0.737 11.253 1.00 18.31 C ATOM 662 CG GLU A 780 32.440 1.356 11.129 1.00 19.91 C ATOM 663 CD GLU A 780 33.373 0.779 10.020 1.00 23.51 C ATOM 664 OE1 GLU A 780 33.004 -0.323 9.478 1.00 26.66 O ATOM 665 OE2 GLU A 780 34.412 1.466 9.722 1.00 26.51 O ATOM 0 H GLU A 780 31.787 -0.113 13.486 1.00 17.70 H new ATOM 0 HA GLU A 780 30.389 2.000 12.750 1.00 18.15 H new ATOM 0 HB2 GLU A 780 31.178 -0.224 11.156 1.00 18.31 H new ATOM 0 HB3 GLU A 780 30.536 1.047 10.521 1.00 18.31 H new ATOM 0 HG2 GLU A 780 32.324 2.305 10.965 1.00 19.91 H new ATOM 0 HG3 GLU A 780 32.893 1.269 11.982 1.00 19.91 H new ATOM 666 N PHE A 781 28.547 -0.573 12.740 1.00 16.41 N ATOM 667 CA PHE A 781 27.195 -1.034 12.733 1.00 17.50 C ATOM 668 C PHE A 781 26.420 -0.510 13.949 1.00 16.79 C ATOM 669 O PHE A 781 25.292 -0.072 13.814 1.00 18.22 O ATOM 670 CB PHE A 781 27.169 -2.561 12.777 1.00 18.78 C ATOM 671 CG PHE A 781 25.819 -3.194 12.592 1.00 20.59 C ATOM 672 CD1 PHE A 781 25.011 -2.839 11.526 1.00 21.98 C ATOM 673 CD2 PHE A 781 25.380 -4.173 13.403 1.00 19.25 C ATOM 674 CE1 PHE A 781 23.816 -3.467 11.330 1.00 20.51 C ATOM 675 CE2 PHE A 781 24.222 -4.837 13.215 1.00 23.22 C ATOM 676 CZ PHE A 781 23.391 -4.440 12.203 1.00 22.57 C ATOM 0 H PHE A 781 29.117 -1.202 12.876 1.00 16.41 H new ATOM 0 HA PHE A 781 26.778 -0.705 11.921 1.00 17.50 H new ATOM 0 HB2 PHE A 781 27.763 -2.898 12.089 1.00 18.78 H new ATOM 0 HB3 PHE A 781 27.530 -2.850 13.630 1.00 18.78 H new ATOM 0 HD1 PHE A 781 25.284 -2.170 10.941 1.00 21.98 H new ATOM 0 HD2 PHE A 781 25.905 -4.405 14.135 1.00 19.25 H new ATOM 0 HE1 PHE A 781 23.286 -3.236 10.602 1.00 20.51 H new ATOM 0 HE2 PHE A 781 23.992 -5.552 13.763 1.00 23.22 H new ATOM 0 HZ PHE A 781 22.549 -4.824 12.107 1.00 22.57 H new ATOM 677 N LEU A 782 27.049 -0.499 15.125 1.00 16.88 N ATOM 678 CA LEU A 782 26.407 0.016 16.326 1.00 14.69 C ATOM 679 C LEU A 782 26.115 1.533 16.114 1.00 15.06 C ATOM 680 O LEU A 782 24.990 2.001 16.431 1.00 15.41 O ATOM 681 CB LEU A 782 27.334 -0.198 17.522 1.00 17.39 C ATOM 682 CG LEU A 782 26.872 0.363 18.853 1.00 16.58 C ATOM 683 CD1 LEU A 782 25.474 0.052 19.199 1.00 19.43 C ATOM 684 CD2 LEU A 782 27.753 -0.279 19.944 1.00 17.43 C ATOM 0 H LEU A 782 27.850 -0.787 15.245 1.00 16.88 H new ATOM 0 HA LEU A 782 25.573 -0.448 16.499 1.00 14.69 H new ATOM 0 HB2 LEU A 782 27.475 -1.152 17.628 1.00 17.39 H new ATOM 0 HB3 LEU A 782 28.196 0.195 17.311 1.00 17.39 H new ATOM 0 HG LEU A 782 26.943 1.328 18.791 1.00 16.58 H new ATOM 0 HD11 LEU A 782 25.258 0.444 20.060 1.00 19.43 H new ATOM 0 HD12 LEU A 782 24.884 0.416 18.521 1.00 19.43 H new ATOM 0 HD13 LEU A 782 25.358 -0.910 19.245 1.00 19.43 H new ATOM 0 HD21 LEU A 782 27.487 0.057 20.814 1.00 17.43 H new ATOM 0 HD22 LEU A 782 27.644 -1.243 19.922 1.00 17.43 H new ATOM 0 HD23 LEU A 782 28.683 -0.055 19.782 1.00 17.43 H new ATOM 685 N LEU A 783 27.086 2.254 15.551 1.00 15.85 N ATOM 686 CA LEU A 783 26.832 3.698 15.234 1.00 15.29 C ATOM 687 C LEU A 783 25.667 3.850 14.256 1.00 16.70 C ATOM 688 O LEU A 783 24.749 4.696 14.432 1.00 15.79 O ATOM 689 CB LEU A 783 28.055 4.328 14.729 1.00 16.40 C ATOM 690 CG LEU A 783 27.985 5.801 14.367 1.00 15.88 C ATOM 691 CD1 LEU A 783 27.571 6.547 15.608 1.00 16.21 C ATOM 692 CD2 LEU A 783 29.311 6.331 13.869 1.00 16.58 C ATOM 0 H LEU A 783 27.868 1.960 15.346 1.00 15.85 H new ATOM 0 HA LEU A 783 26.577 4.156 16.050 1.00 15.29 H new ATOM 0 HB2 LEU A 783 28.748 4.217 15.399 1.00 16.40 H new ATOM 0 HB3 LEU A 783 28.341 3.839 13.941 1.00 16.40 H new ATOM 0 HG LEU A 783 27.348 5.923 13.646 1.00 15.88 H new ATOM 0 HD11 LEU A 783 27.516 7.495 15.412 1.00 16.21 H new ATOM 0 HD12 LEU A 783 26.704 6.227 15.904 1.00 16.21 H new ATOM 0 HD13 LEU A 783 28.226 6.399 16.308 1.00 16.21 H new ATOM 0 HD21 LEU A 783 29.222 7.272 13.650 1.00 16.58 H new ATOM 0 HD22 LEU A 783 29.983 6.223 14.560 1.00 16.58 H new ATOM 0 HD23 LEU A 783 29.580 5.839 13.077 1.00 16.58 H new ATOM 693 N LEU A 784 25.634 2.992 13.222 1.00 16.19 N ATOM 694 CA LEU A 784 24.557 3.010 12.275 1.00 16.15 C ATOM 695 C LEU A 784 23.208 2.737 12.877 1.00 17.25 C ATOM 696 O LEU A 784 22.206 3.454 12.588 1.00 19.56 O ATOM 697 CB LEU A 784 24.805 2.063 11.060 1.00 18.10 C ATOM 698 CG LEU A 784 23.670 1.984 10.012 1.00 19.37 C ATOM 699 CD1 LEU A 784 24.219 2.043 8.599 1.00 21.76 C ATOM 700 CD2 LEU A 784 22.825 0.766 10.197 1.00 21.76 C ATOM 0 H LEU A 784 26.236 2.398 13.068 1.00 16.19 H new ATOM 0 HA LEU A 784 24.543 3.925 11.953 1.00 16.15 H new ATOM 0 HB2 LEU A 784 25.615 2.350 10.611 1.00 18.10 H new ATOM 0 HB3 LEU A 784 24.970 1.169 11.399 1.00 18.10 H new ATOM 0 HG LEU A 784 23.104 2.759 10.151 1.00 19.37 H new ATOM 0 HD11 LEU A 784 23.487 1.992 7.965 1.00 21.76 H new ATOM 0 HD12 LEU A 784 24.698 2.877 8.472 1.00 21.76 H new ATOM 0 HD13 LEU A 784 24.824 1.298 8.455 1.00 21.76 H new ATOM 0 HD21 LEU A 784 22.127 0.751 9.524 1.00 21.76 H new ATOM 0 HD22 LEU A 784 23.376 -0.027 10.108 1.00 21.76 H new ATOM 0 HD23 LEU A 784 22.423 0.782 11.079 1.00 21.76 H new ATOM 701 N LYS A 785 23.116 1.819 13.827 1.00 15.94 N ATOM 702 CA LYS A 785 21.892 1.527 14.535 1.00 16.14 C ATOM 703 C LYS A 785 21.378 2.738 15.329 1.00 16.30 C ATOM 704 O LYS A 785 20.169 2.961 15.372 1.00 18.31 O ATOM 705 CB LYS A 785 22.010 0.333 15.454 1.00 19.74 C ATOM 706 CG LYS A 785 22.069 -0.993 14.713 1.00 21.48 C ATOM 707 CD LYS A 785 20.693 -1.360 14.135 1.00 27.43 C ATOM 708 CE LYS A 785 20.782 -2.757 13.603 1.00 38.89 C ATOM 709 NZ LYS A 785 19.405 -3.310 13.579 1.00 40.72 N ATOM 0 H LYS A 785 23.783 1.339 14.081 1.00 15.94 H new ATOM 0 HA LYS A 785 21.248 1.309 13.844 1.00 16.14 H new ATOM 0 HB2 LYS A 785 22.808 0.429 15.997 1.00 19.74 H new ATOM 0 HB3 LYS A 785 21.253 0.324 16.061 1.00 19.74 H new ATOM 0 HG2 LYS A 785 22.721 -0.939 13.997 1.00 21.48 H new ATOM 0 HG3 LYS A 785 22.368 -1.692 15.316 1.00 21.48 H new ATOM 0 HD2 LYS A 785 20.009 -1.299 14.820 1.00 27.43 H new ATOM 0 HD3 LYS A 785 20.444 -0.742 13.430 1.00 27.43 H new ATOM 0 HE2 LYS A 785 21.167 -2.760 12.713 1.00 38.89 H new ATOM 0 HE3 LYS A 785 21.359 -3.300 14.163 1.00 38.89 H new ATOM 0 HZ1 LYS A 785 19.425 -4.143 13.266 1.00 40.72 H new ATOM 0 HZ2 LYS A 785 19.071 -3.311 14.404 1.00 40.72 H new ATOM 0 HZ3 LYS A 785 18.892 -2.808 13.052 1.00 40.72 H new ATOM 710 N VAL A 786 22.265 3.546 15.861 1.00 15.98 N ATOM 711 CA VAL A 786 21.819 4.784 16.514 1.00 15.18 C ATOM 712 C VAL A 786 21.232 5.760 15.484 1.00 15.12 C ATOM 713 O VAL A 786 20.188 6.411 15.770 1.00 16.69 O ATOM 714 CB VAL A 786 22.936 5.424 17.373 1.00 17.59 C ATOM 715 CG1 VAL A 786 22.546 6.803 17.927 1.00 17.15 C ATOM 716 CG2 VAL A 786 23.365 4.400 18.467 1.00 15.87 C ATOM 0 H VAL A 786 23.115 3.413 15.863 1.00 15.98 H new ATOM 0 HA VAL A 786 21.108 4.556 17.133 1.00 15.18 H new ATOM 0 HB VAL A 786 23.706 5.614 16.815 1.00 17.59 H new ATOM 0 HG11 VAL A 786 23.278 7.158 18.456 1.00 17.15 H new ATOM 0 HG12 VAL A 786 22.357 7.406 17.191 1.00 17.15 H new ATOM 0 HG13 VAL A 786 21.757 6.717 18.485 1.00 17.15 H new ATOM 0 HG21 VAL A 786 24.066 4.786 19.015 1.00 15.87 H new ATOM 0 HG22 VAL A 786 22.602 4.183 19.025 1.00 15.87 H new ATOM 0 HG23 VAL A 786 23.695 3.592 18.043 1.00 15.87 H new ATOM 717 N TYR A 787 21.928 6.005 14.394 1.00 16.50 N ATOM 718 CA TYR A 787 21.417 6.890 13.314 1.00 16.87 C ATOM 719 C TYR A 787 20.086 6.400 12.773 1.00 19.27 C ATOM 720 O TYR A 787 19.305 7.240 12.293 1.00 19.76 O ATOM 721 CB TYR A 787 22.438 7.081 12.187 1.00 16.74 C ATOM 722 CG TYR A 787 23.549 7.999 12.377 1.00 17.28 C ATOM 723 CD1 TYR A 787 23.420 9.375 12.139 1.00 19.60 C ATOM 724 CD2 TYR A 787 24.793 7.608 12.712 1.00 16.18 C ATOM 725 CE1 TYR A 787 24.510 10.217 12.240 1.00 18.35 C ATOM 726 CE2 TYR A 787 25.844 8.426 12.808 1.00 16.11 C ATOM 727 CZ TYR A 787 25.764 9.773 12.568 1.00 17.26 C ATOM 728 OH TYR A 787 26.807 10.697 12.636 1.00 18.60 O ATOM 0 H TYR A 787 22.707 5.675 14.241 1.00 16.50 H new ATOM 0 HA TYR A 787 21.271 7.761 13.715 1.00 16.87 H new ATOM 0 HB2 TYR A 787 22.812 6.210 11.983 1.00 16.74 H new ATOM 0 HB3 TYR A 787 21.951 7.372 11.400 1.00 16.74 H new ATOM 0 HD1 TYR A 787 22.589 9.725 11.910 1.00 19.60 H new ATOM 0 HD2 TYR A 787 24.930 6.705 12.889 1.00 16.18 H new ATOM 0 HE1 TYR A 787 24.388 11.125 12.078 1.00 18.35 H new ATOM 0 HE2 TYR A 787 26.667 8.066 13.048 1.00 16.11 H new ATOM 0 HH TYR A 787 26.530 11.451 12.389 1.00 18.60 H new ATOM 729 N CYS A 788 19.774 5.125 12.848 1.00 16.99 N ATOM 730 CA CYS A 788 18.519 4.572 12.387 1.00 19.16 C ATOM 731 C CYS A 788 17.307 5.127 13.180 1.00 23.07 C ATOM 732 O CYS A 788 16.214 5.114 12.675 1.00 22.81 O ATOM 733 CB CYS A 788 18.422 3.071 12.376 1.00 19.81 C ATOM 734 SG CYS A 788 19.423 2.262 11.107 1.00 22.75 S ATOM 0 H CYS A 788 20.304 4.535 13.180 1.00 16.99 H new ATOM 0 HA CYS A 788 18.495 4.862 11.462 1.00 19.16 H new ATOM 0 HB2 CYS A 788 18.690 2.735 13.246 1.00 19.81 H new ATOM 0 HB3 CYS A 788 17.494 2.819 12.248 1.00 19.81 H new ATOM 0 HG CYS A 788 20.585 2.480 11.314 1.00 22.75 H new ATOM 735 N ASP A 789 17.534 5.575 14.387 1.00 21.02 N ATOM 736 CA ASP A 789 16.443 6.142 15.208 1.00 21.93 C ATOM 737 C ASP A 789 16.281 7.585 14.827 1.00 20.25 C ATOM 738 O ASP A 789 17.235 8.351 14.857 1.00 19.10 O ATOM 739 CB ASP A 789 16.789 6.096 16.692 1.00 23.62 C ATOM 740 CG ASP A 789 15.517 6.313 17.547 1.00 30.32 C ATOM 741 OD1 ASP A 789 15.041 7.497 17.667 1.00 27.58 O ATOM 742 OD2 ASP A 789 14.887 5.268 17.910 1.00 31.83 O ATOM 0 H ASP A 789 18.305 5.569 14.768 1.00 21.02 H new ATOM 0 HA ASP A 789 15.636 5.626 15.053 1.00 21.93 H new ATOM 0 HB2 ASP A 789 17.191 5.241 16.910 1.00 23.62 H new ATOM 0 HB3 ASP A 789 17.446 6.779 16.899 1.00 23.62 H new ATOM 743 N SER A 790 15.024 8.033 14.574 1.00 23.28 N ATOM 744 CA SER A 790 14.903 9.430 14.160 1.00 22.92 C ATOM 745 C SER A 790 15.337 10.473 15.225 1.00 20.27 C ATOM 746 O SER A 790 15.756 11.600 14.846 1.00 22.02 O ATOM 747 CB SER A 790 13.462 9.716 13.712 1.00 25.45 C ATOM 748 OG SER A 790 12.640 9.536 14.844 1.00 31.81 O ATOM 0 H SER A 790 14.296 7.580 14.633 1.00 23.28 H new ATOM 0 HA SER A 790 15.528 9.536 13.425 1.00 22.92 H new ATOM 0 HB2 SER A 790 13.381 10.620 13.369 1.00 25.45 H new ATOM 0 HB3 SER A 790 13.199 9.116 12.997 1.00 25.45 H new ATOM 0 HG SER A 790 12.530 8.715 14.983 1.00 31.81 H new ATOM 749 N LYS A 791 15.362 10.107 16.521 1.00 17.82 N ATOM 750 CA LYS A 791 15.736 11.019 17.555 1.00 20.49 C ATOM 751 C LYS A 791 17.246 11.252 17.573 1.00 19.37 C ATOM 752 O LYS A 791 17.770 12.142 18.268 1.00 18.82 O ATOM 753 CB LYS A 791 15.244 10.518 18.910 1.00 21.70 C ATOM 754 CG LYS A 791 13.751 10.530 19.126 1.00 25.16 C ATOM 755 CD LYS A 791 13.382 9.634 20.304 1.00 28.21 C ATOM 756 CE LYS A 791 11.890 9.518 20.563 1.00 30.17 C ATOM 757 NZ LYS A 791 11.400 10.688 21.299 1.00 33.21 N ATOM 0 H LYS A 791 15.159 9.319 16.800 1.00 17.82 H new ATOM 0 HA LYS A 791 15.313 11.872 17.371 1.00 20.49 H new ATOM 0 HB2 LYS A 791 15.562 9.610 19.032 1.00 21.70 H new ATOM 0 HB3 LYS A 791 15.656 11.058 19.602 1.00 21.70 H new ATOM 0 HG2 LYS A 791 13.449 11.436 19.293 1.00 25.16 H new ATOM 0 HG3 LYS A 791 13.299 10.224 18.324 1.00 25.16 H new ATOM 0 HD2 LYS A 791 13.741 8.747 20.146 1.00 28.21 H new ATOM 0 HD3 LYS A 791 13.812 9.976 21.103 1.00 28.21 H new ATOM 0 HE2 LYS A 791 11.416 9.438 19.721 1.00 30.17 H new ATOM 0 HE3 LYS A 791 11.707 8.711 21.069 1.00 30.17 H new ATOM 0 HZ1 LYS A 791 10.546 10.565 21.518 1.00 33.21 H new ATOM 0 HZ2 LYS A 791 11.883 10.797 22.039 1.00 33.21 H new ATOM 0 HZ3 LYS A 791 11.473 11.413 20.788 1.00 33.21 H new ATOM 758 N SER A 792 18.011 10.458 16.780 1.00 18.97 N ATOM 759 CA SER A 792 19.416 10.759 16.625 1.00 18.88 C ATOM 760 C SER A 792 19.757 12.123 15.995 1.00 19.99 C ATOM 761 O SER A 792 20.831 12.655 16.224 1.00 19.53 O ATOM 762 CB SER A 792 20.077 9.643 15.776 1.00 18.41 C ATOM 763 OG SER A 792 19.658 9.733 14.426 1.00 19.61 O ATOM 0 H SER A 792 17.729 9.770 16.347 1.00 18.97 H new ATOM 0 HA SER A 792 19.762 10.805 17.530 1.00 18.88 H new ATOM 0 HB2 SER A 792 21.043 9.720 15.826 1.00 18.41 H new ATOM 0 HB3 SER A 792 19.842 8.773 16.136 1.00 18.41 H new ATOM 0 HG SER A 792 18.912 9.357 14.338 1.00 19.61 H new ATOM 764 N CYS A 793 18.771 12.748 15.305 1.00 21.69 N ATOM 765 CA CYS A 793 18.950 14.127 14.809 1.00 21.35 C ATOM 766 C CYS A 793 19.414 15.106 15.830 1.00 20.55 C ATOM 767 O CYS A 793 20.286 15.982 15.561 1.00 22.40 O ATOM 768 CB CYS A 793 17.644 14.613 14.123 1.00 26.58 C ATOM 769 SG CYS A 793 16.261 14.868 15.248 1.00 27.20 S ATOM 0 H CYS A 793 18.009 12.395 15.120 1.00 21.69 H new ATOM 0 HA CYS A 793 19.673 14.086 14.164 1.00 21.35 H new ATOM 0 HB2 CYS A 793 17.826 15.445 13.659 1.00 26.58 H new ATOM 0 HB3 CYS A 793 17.384 13.964 13.451 1.00 26.58 H new ATOM 0 HG CYS A 793 15.695 13.826 15.429 1.00 27.20 H new ATOM 770 N PHE A 794 18.966 14.922 17.072 1.00 19.38 N ATOM 771 CA PHE A 794 19.360 15.831 18.135 1.00 17.96 C ATOM 772 C PHE A 794 20.828 15.811 18.557 1.00 20.98 C ATOM 773 O PHE A 794 21.355 16.780 19.116 1.00 20.61 O ATOM 774 CB PHE A 794 18.529 15.649 19.387 1.00 19.75 C ATOM 775 CG PHE A 794 17.072 15.997 19.211 1.00 18.26 C ATOM 776 CD1 PHE A 794 16.699 17.324 19.081 1.00 20.11 C ATOM 777 CD2 PHE A 794 16.101 14.990 19.221 1.00 21.85 C ATOM 778 CE1 PHE A 794 15.359 17.632 18.920 1.00 20.65 C ATOM 779 CE2 PHE A 794 14.726 15.291 19.061 1.00 22.43 C ATOM 780 CZ PHE A 794 14.378 16.657 18.910 1.00 20.52 C ATOM 0 H PHE A 794 18.441 14.285 17.313 1.00 19.38 H new ATOM 0 HA PHE A 794 19.201 16.690 17.714 1.00 17.96 H new ATOM 0 HB2 PHE A 794 18.599 14.727 19.679 1.00 19.75 H new ATOM 0 HB3 PHE A 794 18.901 16.200 20.094 1.00 19.75 H new ATOM 0 HD1 PHE A 794 17.339 17.998 19.102 1.00 20.11 H new ATOM 0 HD2 PHE A 794 16.363 14.105 19.335 1.00 21.85 H new ATOM 0 HE1 PHE A 794 15.111 18.522 18.815 1.00 20.65 H new ATOM 0 HE2 PHE A 794 14.080 14.622 19.055 1.00 22.43 H new ATOM 0 HZ PHE A 794 13.486 16.899 18.804 1.00 20.52 H new ATOM 781 N PHE A 795 21.470 14.675 18.255 1.00 18.34 N ATOM 782 CA PHE A 795 22.831 14.374 18.675 1.00 17.70 C ATOM 783 C PHE A 795 23.813 14.263 17.491 1.00 18.13 C ATOM 784 O PHE A 795 24.975 13.968 17.724 1.00 19.87 O ATOM 785 CB PHE A 795 22.769 13.009 19.427 1.00 17.16 C ATOM 786 CG PHE A 795 21.856 13.082 20.638 1.00 16.39 C ATOM 787 CD1 PHE A 795 22.227 13.801 21.753 1.00 17.30 C ATOM 788 CD2 PHE A 795 20.631 12.448 20.620 1.00 17.03 C ATOM 789 CE1 PHE A 795 21.362 13.898 22.856 1.00 18.07 C ATOM 790 CE2 PHE A 795 19.756 12.541 21.697 1.00 19.36 C ATOM 791 CZ PHE A 795 20.159 13.237 22.825 1.00 18.54 C ATOM 0 H PHE A 795 21.111 14.048 17.789 1.00 18.34 H new ATOM 0 HA PHE A 795 23.160 15.095 19.234 1.00 17.70 H new ATOM 0 HB2 PHE A 795 22.452 12.319 18.823 1.00 17.16 H new ATOM 0 HB3 PHE A 795 23.661 12.752 19.708 1.00 17.16 H new ATOM 0 HD1 PHE A 795 23.055 14.225 21.776 1.00 17.30 H new ATOM 0 HD2 PHE A 795 20.386 11.949 19.874 1.00 17.03 H new ATOM 0 HE1 PHE A 795 21.602 14.404 23.599 1.00 18.07 H new ATOM 0 HE2 PHE A 795 18.916 12.143 21.661 1.00 19.36 H new ATOM 0 HZ PHE A 795 19.606 13.257 23.573 1.00 18.54 H new ATOM 792 N ALA A 796 23.377 14.479 16.265 1.00 17.89 N ATOM 793 CA ALA A 796 24.210 14.306 15.108 1.00 19.06 C ATOM 794 C ALA A 796 25.253 15.326 14.876 1.00 19.13 C ATOM 795 O ALA A 796 26.426 15.022 14.586 1.00 19.16 O ATOM 796 CB ALA A 796 23.416 14.132 13.878 1.00 20.60 C ATOM 0 H ALA A 796 22.576 14.734 16.084 1.00 17.89 H new ATOM 0 HA ALA A 796 24.694 13.494 15.326 1.00 19.06 H new ATOM 0 HB1 ALA A 796 24.012 14.019 13.121 1.00 20.60 H new ATOM 0 HB2 ALA A 796 22.852 13.348 13.965 1.00 20.60 H new ATOM 0 HB3 ALA A 796 22.861 14.915 13.737 1.00 20.60 H new ATOM 797 N SER A 797 24.861 16.597 14.984 1.00 20.21 N ATOM 798 CA SER A 797 25.800 17.669 14.665 1.00 20.98 C ATOM 799 C SER A 797 26.276 18.402 15.871 1.00 20.15 C ATOM 800 O SER A 797 25.853 18.141 16.999 1.00 21.69 O ATOM 801 CB SER A 797 25.125 18.604 13.620 1.00 26.56 C ATOM 802 OG SER A 797 24.198 19.338 14.332 1.00 31.67 O ATOM 0 H SER A 797 24.079 16.853 15.233 1.00 20.21 H new ATOM 0 HA SER A 797 26.606 17.287 14.285 1.00 20.98 H new ATOM 0 HB2 SER A 797 25.777 19.182 13.195 1.00 26.56 H new ATOM 0 HB3 SER A 797 24.699 18.091 12.915 1.00 26.56 H new ATOM 0 HG SER A 797 24.491 20.115 14.456 1.00 31.67 H new ATOM 803 N GLU A 798 27.223 19.323 15.680 1.00 20.31 N ATOM 804 CA GLU A 798 27.892 19.978 16.799 1.00 19.68 C ATOM 805 C GLU A 798 26.988 20.845 17.606 1.00 23.17 C ATOM 806 O GLU A 798 26.336 21.719 17.006 1.00 25.06 O ATOM 807 CB GLU A 798 29.135 20.778 16.358 1.00 21.80 C ATOM 808 CG GLU A 798 29.990 21.373 17.442 1.00 26.03 C ATOM 809 CD GLU A 798 31.288 22.033 16.911 1.00 27.61 C ATOM 810 OE1 GLU A 798 31.560 22.105 15.653 1.00 33.93 O ATOM 811 OE2 GLU A 798 32.093 22.394 17.780 1.00 32.85 O ATOM 0 H GLU A 798 27.492 19.582 14.905 1.00 20.31 H new ATOM 0 HA GLU A 798 28.182 19.250 17.370 1.00 19.68 H new ATOM 0 HB2 GLU A 798 29.693 20.194 15.821 1.00 21.80 H new ATOM 0 HB3 GLU A 798 28.839 21.498 15.779 1.00 21.80 H new ATOM 0 HG2 GLU A 798 29.473 22.036 17.925 1.00 26.03 H new ATOM 0 HG3 GLU A 798 30.225 20.678 18.077 1.00 26.03 H new ATOM 812 N PRO A 799 26.855 20.578 18.883 1.00 21.91 N ATOM 813 CA PRO A 799 25.949 21.283 19.764 1.00 24.89 C ATOM 814 C PRO A 799 26.556 22.636 20.204 1.00 25.33 C ATOM 815 O PRO A 799 27.770 22.886 20.063 1.00 23.29 O ATOM 816 CB PRO A 799 25.836 20.319 20.960 1.00 24.04 C ATOM 817 CG PRO A 799 27.166 19.734 21.013 1.00 25.00 C ATOM 818 CD PRO A 799 27.620 19.548 19.630 1.00 24.56 C ATOM 0 HA PRO A 799 25.096 21.498 19.356 1.00 24.89 H new ATOM 0 HB2 PRO A 799 25.613 20.785 21.781 1.00 24.04 H new ATOM 0 HB3 PRO A 799 25.150 19.647 20.820 1.00 24.04 H new ATOM 0 HG2 PRO A 799 27.775 20.314 21.497 1.00 25.00 H new ATOM 0 HG3 PRO A 799 27.147 18.886 21.483 1.00 25.00 H new ATOM 0 HD2 PRO A 799 28.577 19.681 19.546 1.00 24.56 H new ATOM 0 HD3 PRO A 799 27.428 18.654 19.307 1.00 24.56 H new ATOM 819 N TYR A 800 25.675 23.507 20.703 1.00 25.61 N ATOM 820 CA TYR A 800 26.106 24.687 21.427 1.00 25.55 C ATOM 821 C TYR A 800 25.222 24.903 22.656 1.00 23.45 C ATOM 822 O TYR A 800 24.098 24.408 22.762 1.00 25.74 O ATOM 823 CB TYR A 800 26.139 25.913 20.509 1.00 28.06 C ATOM 824 CG TYR A 800 24.786 26.333 20.055 1.00 36.48 C ATOM 825 CD1 TYR A 800 24.294 25.909 18.822 1.00 42.74 C ATOM 826 CD2 TYR A 800 24.017 27.213 20.842 1.00 44.86 C ATOM 827 CE1 TYR A 800 23.044 26.351 18.362 1.00 50.86 C ATOM 828 CE2 TYR A 800 22.762 27.652 20.402 1.00 56.85 C ATOM 829 CZ TYR A 800 22.287 27.222 19.160 1.00 58.72 C ATOM 830 OH TYR A 800 21.057 27.660 18.718 1.00 71.27 O ATOM 0 H TYR A 800 24.822 23.426 20.629 1.00 25.61 H new ATOM 0 HA TYR A 800 27.014 24.551 21.741 1.00 25.55 H new ATOM 0 HB2 TYR A 800 26.561 26.650 20.977 1.00 28.06 H new ATOM 0 HB3 TYR A 800 26.689 25.716 19.734 1.00 28.06 H new ATOM 0 HD1 TYR A 800 24.798 25.328 18.299 1.00 42.74 H new ATOM 0 HD2 TYR A 800 24.346 27.505 21.661 1.00 44.86 H new ATOM 0 HE1 TYR A 800 22.721 26.069 17.537 1.00 50.86 H new ATOM 0 HE2 TYR A 800 22.251 28.222 20.930 1.00 56.85 H new ATOM 0 HH TYR A 800 20.718 28.171 19.292 1.00 71.27 H new ATOM 831 N TYR A 801 25.796 25.576 23.629 1.00 21.97 N ATOM 832 CA TYR A 801 25.302 25.548 24.966 1.00 21.79 C ATOM 833 C TYR A 801 25.184 27.008 25.547 1.00 22.99 C ATOM 834 O TYR A 801 26.181 27.595 26.048 1.00 20.76 O ATOM 835 CB TYR A 801 26.292 24.777 25.814 1.00 22.42 C ATOM 836 CG TYR A 801 26.368 23.325 25.397 1.00 21.63 C ATOM 837 CD1 TYR A 801 25.381 22.434 25.793 1.00 23.12 C ATOM 838 CD2 TYR A 801 27.420 22.864 24.588 1.00 24.30 C ATOM 839 CE1 TYR A 801 25.472 21.068 25.423 1.00 23.82 C ATOM 840 CE2 TYR A 801 27.490 21.540 24.204 1.00 24.36 C ATOM 841 CZ TYR A 801 26.480 20.665 24.634 1.00 23.12 C ATOM 842 OH TYR A 801 26.529 19.299 24.297 1.00 20.90 O ATOM 0 H TYR A 801 26.494 26.067 23.522 1.00 21.97 H new ATOM 0 HA TYR A 801 24.425 25.134 24.975 1.00 21.79 H new ATOM 0 HB2 TYR A 801 27.170 25.183 25.738 1.00 22.42 H new ATOM 0 HB3 TYR A 801 26.033 24.834 26.747 1.00 22.42 H new ATOM 0 HD1 TYR A 801 24.661 22.732 26.300 1.00 23.12 H new ATOM 0 HD2 TYR A 801 28.078 23.459 24.308 1.00 24.30 H new ATOM 0 HE1 TYR A 801 24.839 20.457 25.724 1.00 23.82 H new ATOM 0 HE2 TYR A 801 28.190 21.235 23.673 1.00 24.36 H new ATOM 0 HH TYR A 801 25.749 18.990 24.266 1.00 20.90 H new ATOM 843 N ASN A 802 23.934 27.470 25.605 1.00 23.28 N ATOM 844 CA ASN A 802 23.650 28.800 26.186 1.00 23.17 C ATOM 845 C ASN A 802 22.245 28.799 26.766 1.00 22.72 C ATOM 846 O ASN A 802 21.306 29.143 26.094 1.00 26.92 O ATOM 847 CB ASN A 802 23.869 29.940 25.163 1.00 21.18 C ATOM 848 CG ASN A 802 23.904 31.318 25.882 1.00 24.38 C ATOM 849 OD1 ASN A 802 23.796 31.355 27.081 1.00 24.39 O ATOM 850 ND2 ASN A 802 24.172 32.418 25.136 1.00 25.14 N ATOM 0 H ASN A 802 23.243 27.044 25.321 1.00 23.28 H new ATOM 0 HA ASN A 802 24.280 28.974 26.903 1.00 23.17 H new ATOM 0 HB2 ASN A 802 24.701 29.797 24.685 1.00 21.18 H new ATOM 0 HB3 ASN A 802 23.158 29.931 24.504 1.00 21.18 H new ATOM 0 HD21 ASN A 802 24.272 33.182 25.517 1.00 25.14 H new ATOM 0 HD22 ASN A 802 24.242 32.351 24.281 1.00 25.14 H new ATOM 851 N ARG A 803 22.160 28.380 28.016 1.00 24.80 N ATOM 852 CA AARG A 803 20.914 28.161 28.736 0.43 27.15 C ATOM 853 CA BARG A 803 20.920 28.148 28.733 0.57 25.78 C ATOM 854 C ARG A 803 21.112 28.721 30.113 1.00 25.75 C ATOM 855 O ARG A 803 22.131 28.490 30.770 1.00 27.44 O ATOM 856 CB AARG A 803 20.563 26.673 28.834 0.43 29.17 C ATOM 857 CB BARG A 803 20.621 26.649 28.828 0.57 25.93 C ATOM 858 CG AARG A 803 19.686 26.262 30.020 0.43 30.63 C ATOM 859 CG BARG A 803 19.327 26.254 29.537 0.57 24.98 C ATOM 860 CD AARG A 803 19.269 24.801 29.921 0.43 34.24 C ATOM 861 CD BARG A 803 19.268 24.768 29.909 0.57 29.03 C ATOM 862 NE AARG A 803 18.107 24.648 29.076 0.43 36.79 N ATOM 863 NE BARG A 803 17.914 24.501 30.346 0.57 28.96 N ATOM 864 CZ AARG A 803 16.871 24.491 29.533 0.43 34.94 C ATOM 865 CZ BARG A 803 17.464 24.121 31.532 0.57 38.32 C ATOM 866 NH1AARG A 803 16.621 24.466 30.830 0.43 39.12 N ATOM 867 NH1BARG A 803 18.251 23.793 32.535 0.57 41.42 N ATOM 868 NH2AARG A 803 15.902 24.376 28.677 0.43 28.76 N ATOM 869 NH2BARG A 803 16.142 23.988 31.670 0.57 41.80 N ATOM 0 H AARG A 803 22.856 28.207 28.491 0.43 24.80 H new ATOM 0 H BARG A 803 22.857 28.215 28.493 0.57 24.80 H new ATOM 0 HA AARG A 803 20.183 28.592 28.266 0.43 25.78 H new ATOM 0 HA BARG A 803 20.174 28.564 28.274 0.57 25.78 H new ATOM 0 HB2AARG A 803 20.112 26.412 28.016 0.43 25.93 H new ATOM 0 HB2BARG A 803 20.597 26.287 27.928 0.57 25.93 H new ATOM 0 HB3AARG A 803 21.389 26.167 28.876 0.43 25.93 H new ATOM 0 HB3BARG A 803 21.361 26.221 29.286 0.57 25.93 H new ATOM 0 HG2AARG A 803 20.170 26.407 30.848 0.43 24.98 H new ATOM 0 HG2BARG A 803 19.231 26.786 30.342 0.57 24.98 H new ATOM 0 HG3AARG A 803 18.896 26.824 30.051 0.43 24.98 H new ATOM 0 HG3BARG A 803 18.574 26.468 28.964 0.57 24.98 H new ATOM 0 HD2AARG A 803 20.003 24.276 29.565 0.43 29.03 H new ATOM 0 HD2BARG A 803 19.500 24.213 29.148 0.57 29.03 H new ATOM 0 HD3AARG A 803 19.076 24.456 30.807 0.43 29.03 H new ATOM 0 HD3BARG A 803 19.903 24.564 30.613 0.57 29.03 H new ATOM 0 HE AARG A 803 18.224 24.659 28.224 0.43 28.96 H new ATOM 0 HE BARG A 803 17.309 24.605 29.743 0.57 28.96 H new ATOM 0 HH11AARG A 803 17.265 24.552 31.394 0.43 41.42 H new ATOM 0 HH11BARG A 803 19.105 23.819 32.438 0.57 41.42 H new ATOM 0 HH12AARG A 803 15.815 24.363 31.111 0.43 41.42 H new ATOM 0 HH12BARG A 803 17.911 23.552 33.287 0.57 41.42 H new ATOM 0 HH21AARG A 803 16.068 24.402 27.834 0.43 41.80 H new ATOM 0 HH21BARG A 803 15.622 24.147 31.004 0.57 41.80 H new ATOM 0 HH22AARG A 803 15.094 24.274 28.953 0.43 41.80 H new ATOM 0 HH22BARG A 803 15.811 23.743 32.425 0.57 41.80 H new ATOM 870 N GLU A 804 20.155 29.521 30.565 1.00 29.64 N ATOM 871 CA GLU A 804 20.291 30.097 31.929 1.00 31.39 C ATOM 872 C GLU A 804 20.341 28.978 32.958 1.00 31.80 C ATOM 873 O GLU A 804 19.588 28.016 32.864 1.00 32.10 O ATOM 874 CB GLU A 804 19.108 31.054 32.201 1.00 40.01 C ATOM 875 CG GLU A 804 19.134 31.692 33.589 1.00 54.02 C ATOM 876 CD GLU A 804 17.856 32.506 33.872 1.00 69.76 C ATOM 877 OE1 GLU A 804 17.144 32.928 32.902 1.00 66.34 O ATOM 878 OE2 GLU A 804 17.564 32.710 35.080 1.00 74.02 O ATOM 0 H GLU A 804 19.445 29.744 30.133 1.00 29.64 H new ATOM 0 HA GLU A 804 21.117 30.602 31.994 1.00 31.39 H new ATOM 0 HB2 GLU A 804 19.111 31.756 31.532 1.00 40.01 H new ATOM 0 HB3 GLU A 804 18.277 30.565 32.095 1.00 40.01 H new ATOM 0 HG2 GLU A 804 19.231 30.999 34.261 1.00 54.02 H new ATOM 0 HG3 GLU A 804 19.909 32.271 33.664 1.00 54.02 H new ATOM 879 N GLY A 805 21.283 29.071 33.885 1.00 32.71 N ATOM 880 CA GLY A 805 21.436 28.090 34.956 1.00 34.84 C ATOM 881 C GLY A 805 22.250 26.846 34.638 1.00 34.46 C ATOM 882 O GLY A 805 22.450 26.021 35.523 1.00 38.75 O ATOM 0 H GLY A 805 21.858 29.710 33.913 1.00 32.71 H new ATOM 0 HA2 GLY A 805 21.846 28.533 35.715 1.00 34.84 H new ATOM 0 HA3 GLY A 805 20.551 27.808 35.236 1.00 34.84 H new ATOM 883 N SER A 806 22.788 26.730 33.417 1.00 29.62 N ATOM 884 CA SER A 806 23.601 25.590 33.034 1.00 28.17 C ATOM 885 C SER A 806 24.887 26.064 32.403 1.00 32.08 C ATOM 886 O SER A 806 24.956 27.163 31.820 1.00 32.01 O ATOM 887 CB SER A 806 22.826 24.697 32.013 1.00 33.05 C ATOM 888 OG SER A 806 21.821 24.032 32.685 1.00 36.75 O ATOM 0 H SER A 806 22.687 27.314 32.794 1.00 29.62 H new ATOM 0 HA SER A 806 23.801 25.071 33.829 1.00 28.17 H new ATOM 0 HB2 SER A 806 22.453 25.243 31.304 1.00 33.05 H new ATOM 0 HB3 SER A 806 23.429 24.062 31.595 1.00 33.05 H new ATOM 0 HG SER A 806 21.642 23.315 32.285 1.00 36.75 H new ATOM 889 N GLN A 807 25.900 25.226 32.540 1.00 28.88 N ATOM 890 CA GLN A 807 27.154 25.470 31.899 1.00 33.12 C ATOM 891 C GLN A 807 27.379 24.301 30.887 1.00 29.38 C ATOM 892 O GLN A 807 27.086 23.153 31.208 1.00 29.59 O ATOM 893 CB GLN A 807 28.259 25.497 32.946 1.00 43.10 C ATOM 894 CG GLN A 807 28.584 26.882 33.488 1.00 58.95 C ATOM 895 CD GLN A 807 29.247 27.765 32.435 1.00 71.89 C ATOM 896 OE1 GLN A 807 29.900 27.258 31.513 1.00 70.29 O ATOM 897 NE2 GLN A 807 29.049 29.095 32.541 1.00 85.28 N ATOM 0 H GLN A 807 25.871 24.505 33.008 1.00 28.88 H new ATOM 0 HA GLN A 807 27.161 26.323 31.437 1.00 33.12 H new ATOM 0 HB2 GLN A 807 28.001 24.925 33.686 1.00 43.10 H new ATOM 0 HB3 GLN A 807 29.064 25.116 32.560 1.00 43.10 H new ATOM 0 HG2 GLN A 807 27.769 27.307 33.799 1.00 58.95 H new ATOM 0 HG3 GLN A 807 29.171 26.799 34.256 1.00 58.95 H new ATOM 0 HE21 GLN A 807 28.589 29.410 33.196 1.00 85.28 H new ATOM 0 HE22 GLN A 807 29.382 29.628 31.954 1.00 85.28 H new ATOM 898 N GLY A 808 27.908 24.618 29.720 1.00 27.46 N ATOM 899 CA GLY A 808 28.221 23.587 28.708 1.00 29.25 C ATOM 900 C GLY A 808 29.243 22.544 29.218 1.00 28.19 C ATOM 901 O GLY A 808 29.982 22.786 30.139 1.00 28.67 O ATOM 0 H GLY A 808 28.099 25.422 29.481 1.00 27.46 H new ATOM 0 HA2 GLY A 808 27.403 23.134 28.449 1.00 29.25 H new ATOM 0 HA3 GLY A 808 28.572 24.016 27.912 1.00 29.25 H new ATOM 902 N PRO A 809 29.249 21.358 28.581 1.00 23.78 N ATOM 903 CA PRO A 809 30.198 20.336 28.995 1.00 23.88 C ATOM 904 C PRO A 809 31.626 20.718 28.676 1.00 24.07 C ATOM 905 O PRO A 809 31.910 21.359 27.656 1.00 24.18 O ATOM 906 CB PRO A 809 29.737 19.111 28.165 1.00 24.83 C ATOM 907 CG PRO A 809 29.073 19.660 26.978 1.00 25.90 C ATOM 908 CD PRO A 809 28.348 20.918 27.534 1.00 23.42 C ATOM 0 HA PRO A 809 30.203 20.183 29.953 1.00 23.88 H new ATOM 0 HB2 PRO A 809 30.492 18.555 27.916 1.00 24.83 H new ATOM 0 HB3 PRO A 809 29.130 18.553 28.676 1.00 24.83 H new ATOM 0 HG2 PRO A 809 29.710 19.890 26.284 1.00 25.90 H new ATOM 0 HG3 PRO A 809 28.448 19.027 26.591 1.00 25.90 H new ATOM 0 HD2 PRO A 809 28.227 21.597 26.852 1.00 23.42 H new ATOM 0 HD3 PRO A 809 27.468 20.704 27.881 1.00 23.42 H new ATOM 909 N GLN A 810 32.539 20.139 29.465 1.00 29.72 N ATOM 910 CA GLN A 810 33.948 20.275 29.235 1.00 31.43 C ATOM 911 C GLN A 810 34.398 19.638 27.954 1.00 31.12 C ATOM 912 O GLN A 810 35.370 20.140 27.340 1.00 30.91 O ATOM 913 CB GLN A 810 34.746 19.654 30.377 1.00 37.78 C ATOM 914 CG GLN A 810 34.372 20.166 31.764 1.00 48.51 C ATOM 915 CD GLN A 810 34.764 21.603 31.952 1.00 57.60 C ATOM 916 OE1 GLN A 810 35.880 22.007 31.631 1.00 67.12 O ATOM 917 NE2 GLN A 810 33.837 22.394 32.464 1.00 68.89 N ATOM 0 H GLN A 810 32.340 19.657 30.149 1.00 29.72 H new ATOM 0 HA GLN A 810 34.112 21.229 29.178 1.00 31.43 H new ATOM 0 HB2 GLN A 810 34.623 18.692 30.356 1.00 37.78 H new ATOM 0 HB3 GLN A 810 35.689 19.823 30.226 1.00 37.78 H new ATOM 0 HG2 GLN A 810 33.416 20.072 31.897 1.00 48.51 H new ATOM 0 HG3 GLN A 810 34.807 19.621 32.438 1.00 48.51 H new ATOM 0 HE21 GLN A 810 33.068 22.074 32.676 1.00 68.89 H new ATOM 0 HE22 GLN A 810 34.003 23.229 32.585 1.00 68.89 H new ATOM 918 N LYS A 811 33.738 18.537 27.543 1.00 26.78 N ATOM 919 CA LYS A 811 34.142 17.837 26.328 1.00 23.97 C ATOM 920 C LYS A 811 32.957 17.524 25.470 1.00 21.00 C ATOM 921 O LYS A 811 32.330 16.457 25.610 1.00 21.99 O ATOM 922 CB LYS A 811 34.925 16.572 26.664 1.00 26.48 C ATOM 923 CG LYS A 811 35.490 15.868 25.418 1.00 31.30 C ATOM 924 CD LYS A 811 36.252 14.574 25.763 1.00 35.78 C ATOM 925 CE LYS A 811 36.606 13.732 24.552 1.00 38.99 C ATOM 926 NZ LYS A 811 37.199 12.486 25.121 1.00 44.21 N ATOM 0 H LYS A 811 33.066 18.192 27.953 1.00 26.78 H new ATOM 0 HA LYS A 811 34.726 18.425 25.824 1.00 23.97 H new ATOM 0 HB2 LYS A 811 35.655 16.798 27.261 1.00 26.48 H new ATOM 0 HB3 LYS A 811 34.347 15.957 27.143 1.00 26.48 H new ATOM 0 HG2 LYS A 811 34.763 15.659 24.811 1.00 31.30 H new ATOM 0 HG3 LYS A 811 36.085 16.475 24.950 1.00 31.30 H new ATOM 0 HD2 LYS A 811 37.067 14.805 26.236 1.00 35.78 H new ATOM 0 HD3 LYS A 811 35.713 14.043 26.370 1.00 35.78 H new ATOM 0 HE2 LYS A 811 35.821 13.537 24.016 1.00 38.99 H new ATOM 0 HE3 LYS A 811 37.236 14.191 23.975 1.00 38.99 H new ATOM 0 HZ1 LYS A 811 37.818 12.171 24.565 1.00 44.21 H new ATOM 0 HZ2 LYS A 811 37.572 12.667 25.908 1.00 44.21 H new ATOM 0 HZ3 LYS A 811 36.560 11.876 25.229 1.00 44.21 H new ATOM 927 N PRO A 812 32.567 18.458 24.593 1.00 20.18 N ATOM 928 CA PRO A 812 31.389 18.200 23.764 1.00 20.82 C ATOM 929 C PRO A 812 31.649 17.017 22.830 1.00 21.84 C ATOM 930 O PRO A 812 32.837 16.753 22.480 1.00 21.75 O ATOM 931 CB PRO A 812 31.267 19.513 22.939 1.00 23.50 C ATOM 932 CG PRO A 812 31.951 20.556 23.849 1.00 22.21 C ATOM 933 CD PRO A 812 33.121 19.832 24.396 1.00 23.45 C ATOM 0 HA PRO A 812 30.593 17.981 24.274 1.00 20.82 H new ATOM 0 HB2 PRO A 812 31.710 19.440 22.079 1.00 23.50 H new ATOM 0 HB3 PRO A 812 30.341 19.742 22.762 1.00 23.50 H new ATOM 0 HG2 PRO A 812 32.220 21.343 23.349 1.00 22.21 H new ATOM 0 HG3 PRO A 812 31.357 20.858 24.554 1.00 22.21 H new ATOM 0 HD2 PRO A 812 33.872 19.837 23.782 1.00 23.45 H new ATOM 0 HD3 PRO A 812 33.433 20.221 25.228 1.00 23.45 H new ATOM 934 N MET A 813 30.576 16.344 22.408 1.00 19.16 N ATOM 935 CA MET A 813 30.644 15.164 21.592 1.00 17.43 C ATOM 936 C MET A 813 29.361 15.038 20.809 1.00 16.60 C ATOM 937 O MET A 813 28.278 15.402 21.318 1.00 18.06 O ATOM 938 CB MET A 813 30.923 13.890 22.466 1.00 18.70 C ATOM 939 CG MET A 813 31.370 12.621 21.700 1.00 20.75 C ATOM 940 SD MET A 813 32.663 12.809 20.469 1.00 21.73 S ATOM 941 CE MET A 813 33.922 13.346 21.544 1.00 24.94 C ATOM 0 H MET A 813 29.772 16.579 22.602 1.00 19.16 H new ATOM 0 HA MET A 813 31.384 15.239 20.970 1.00 17.43 H new ATOM 0 HB2 MET A 813 31.608 14.111 23.117 1.00 18.70 H new ATOM 0 HB3 MET A 813 30.117 13.678 22.963 1.00 18.70 H new ATOM 0 HG2 MET A 813 31.670 11.968 22.352 1.00 20.75 H new ATOM 0 HG3 MET A 813 30.591 12.246 21.261 1.00 20.75 H new ATOM 0 HE1 MET A 813 34.774 13.324 21.081 1.00 24.94 H new ATOM 0 HE2 MET A 813 33.735 14.253 21.834 1.00 24.94 H new ATOM 0 HE3 MET A 813 33.959 12.761 22.317 1.00 24.94 H new ATOM 942 N TRP A 814 29.432 14.532 19.620 1.00 16.87 N ATOM 943 CA TRP A 814 28.313 14.335 18.775 1.00 15.82 C ATOM 944 C TRP A 814 28.525 13.243 17.786 1.00 15.80 C ATOM 945 O TRP A 814 29.710 12.808 17.553 1.00 15.63 O ATOM 946 CB TRP A 814 27.934 15.719 18.070 1.00 15.25 C ATOM 947 CG TRP A 814 29.017 16.355 17.199 1.00 16.64 C ATOM 948 CD1 TRP A 814 29.112 16.259 15.902 1.00 17.52 C ATOM 949 CD2 TRP A 814 30.104 17.144 17.631 1.00 16.70 C ATOM 950 NE1 TRP A 814 30.182 16.969 15.449 1.00 19.37 N ATOM 951 CE2 TRP A 814 30.793 17.530 16.497 1.00 18.49 C ATOM 952 CE3 TRP A 814 30.529 17.587 18.883 1.00 19.98 C ATOM 953 CZ2 TRP A 814 31.929 18.332 16.553 1.00 19.74 C ATOM 954 CZ3 TRP A 814 31.669 18.367 18.974 1.00 24.05 C ATOM 955 CH2 TRP A 814 32.388 18.688 17.797 1.00 24.81 C ATOM 0 H TRP A 814 30.174 14.281 19.265 1.00 16.87 H new ATOM 0 HA TRP A 814 27.566 14.044 19.321 1.00 15.82 H new ATOM 0 HB2 TRP A 814 27.147 15.575 17.521 1.00 15.25 H new ATOM 0 HB3 TRP A 814 27.686 16.354 18.760 1.00 15.25 H new ATOM 0 HD1 TRP A 814 28.531 15.774 15.362 1.00 17.52 H new ATOM 0 HE1 TRP A 814 30.424 17.044 14.627 1.00 19.37 H new ATOM 0 HE3 TRP A 814 30.052 17.361 19.649 1.00 19.98 H new ATOM 0 HZ2 TRP A 814 32.360 18.615 15.779 1.00 19.74 H new ATOM 0 HZ3 TRP A 814 31.960 18.677 19.801 1.00 24.05 H new ATOM 0 HH2 TRP A 814 33.191 19.151 17.868 1.00 24.81 H new ATOM 956 N LEU A 815 27.438 12.736 17.201 1.00 14.72 N ATOM 957 CA LEU A 815 27.503 11.504 16.332 1.00 15.92 C ATOM 958 C LEU A 815 28.418 11.673 15.123 1.00 15.99 C ATOM 959 O LEU A 815 29.235 10.810 14.809 1.00 15.94 O ATOM 960 CB LEU A 815 26.191 10.980 15.928 1.00 16.65 C ATOM 961 CG LEU A 815 25.238 10.594 17.053 1.00 15.26 C ATOM 962 CD1 LEU A 815 23.845 10.289 16.526 1.00 16.48 C ATOM 963 CD2 LEU A 815 25.704 9.306 17.799 1.00 17.09 C ATOM 0 H LEU A 815 26.650 13.072 17.281 1.00 14.72 H new ATOM 0 HA LEU A 815 27.898 10.833 16.910 1.00 15.92 H new ATOM 0 HB2 LEU A 815 25.754 11.647 15.376 1.00 16.65 H new ATOM 0 HB3 LEU A 815 26.334 10.200 15.370 1.00 16.65 H new ATOM 0 HG LEU A 815 25.230 11.357 17.652 1.00 15.26 H new ATOM 0 HD11 LEU A 815 23.265 10.048 17.265 1.00 16.48 H new ATOM 0 HD12 LEU A 815 23.489 11.073 16.079 1.00 16.48 H new ATOM 0 HD13 LEU A 815 23.891 9.552 15.897 1.00 16.48 H new ATOM 0 HD21 LEU A 815 25.073 9.095 18.505 1.00 17.09 H new ATOM 0 HD22 LEU A 815 25.747 8.567 17.173 1.00 17.09 H new ATOM 0 HD23 LEU A 815 26.582 9.455 18.184 1.00 17.09 H new ATOM 964 N ASN A 816 28.312 12.801 14.435 1.00 16.49 N ATOM 965 CA ASN A 816 29.152 12.993 13.244 1.00 19.14 C ATOM 966 C ASN A 816 30.623 13.045 13.600 1.00 16.77 C ATOM 967 O ASN A 816 31.426 12.713 12.789 1.00 19.69 O ATOM 968 CB ASN A 816 28.748 14.250 12.505 1.00 19.41 C ATOM 969 CG ASN A 816 27.339 14.182 11.878 1.00 24.14 C ATOM 970 OD1 ASN A 816 26.707 13.155 11.732 1.00 23.22 O ATOM 971 ND2 ASN A 816 26.832 15.380 11.434 1.00 24.54 N ATOM 0 H ASN A 816 27.782 13.451 14.625 1.00 16.49 H new ATOM 0 HA ASN A 816 29.014 12.228 12.664 1.00 19.14 H new ATOM 0 HB2 ASN A 816 28.783 15.001 13.118 1.00 19.41 H new ATOM 0 HB3 ASN A 816 29.396 14.425 11.805 1.00 19.41 H new ATOM 0 HD21 ASN A 816 26.063 15.406 11.050 1.00 24.54 H new ATOM 0 HD22 ASN A 816 27.284 16.104 11.540 1.00 24.54 H new ATOM 972 N LYS A 817 31.002 13.482 14.779 1.00 16.85 N ATOM 973 CA LYS A 817 32.364 13.499 15.252 1.00 19.21 C ATOM 974 C LYS A 817 32.850 12.066 15.469 1.00 19.14 C ATOM 975 O LYS A 817 33.955 11.710 15.032 1.00 18.10 O ATOM 976 CB LYS A 817 32.559 14.319 16.495 1.00 18.59 C ATOM 977 CG LYS A 817 33.982 14.498 16.936 1.00 24.11 C ATOM 978 CD LYS A 817 33.989 15.426 18.117 1.00 29.50 C ATOM 979 CE LYS A 817 35.351 15.571 18.749 1.00 40.75 C ATOM 980 NZ LYS A 817 36.253 16.089 17.715 1.00 51.93 N ATOM 0 H LYS A 817 30.444 13.793 15.355 1.00 16.85 H new ATOM 0 HA LYS A 817 32.896 13.931 14.565 1.00 19.21 H new ATOM 0 HB2 LYS A 817 32.169 15.195 16.350 1.00 18.59 H new ATOM 0 HB3 LYS A 817 32.063 13.904 17.218 1.00 18.59 H new ATOM 0 HG2 LYS A 817 34.373 13.643 17.174 1.00 24.11 H new ATOM 0 HG3 LYS A 817 34.517 14.864 16.214 1.00 24.11 H new ATOM 0 HD2 LYS A 817 33.674 16.300 17.837 1.00 29.50 H new ATOM 0 HD3 LYS A 817 33.363 15.099 18.782 1.00 29.50 H new ATOM 0 HE2 LYS A 817 35.315 16.176 19.507 1.00 40.75 H new ATOM 0 HE3 LYS A 817 35.667 14.717 19.083 1.00 40.75 H new ATOM 0 HZ1 LYS A 817 36.809 16.683 18.076 1.00 51.93 H new ATOM 0 HZ2 LYS A 817 36.722 15.418 17.366 1.00 51.93 H new ATOM 0 HZ3 LYS A 817 35.776 16.482 17.074 1.00 51.93 H new ATOM 981 N VAL A 818 32.000 11.276 16.066 1.00 16.59 N ATOM 982 CA VAL A 818 32.294 9.821 16.265 1.00 16.79 C ATOM 983 C VAL A 818 32.441 9.149 14.932 1.00 17.93 C ATOM 984 O VAL A 818 33.384 8.317 14.694 1.00 17.44 O ATOM 985 CB VAL A 818 31.254 9.117 17.178 1.00 15.78 C ATOM 986 CG1 VAL A 818 31.639 7.633 17.279 1.00 17.45 C ATOM 987 CG2 VAL A 818 31.257 9.740 18.573 1.00 16.43 C ATOM 0 H VAL A 818 31.239 11.532 16.374 1.00 16.59 H new ATOM 0 HA VAL A 818 33.136 9.744 16.740 1.00 16.79 H new ATOM 0 HB VAL A 818 30.366 9.218 16.802 1.00 15.78 H new ATOM 0 HG11 VAL A 818 31.002 7.171 17.846 1.00 17.45 H new ATOM 0 HG12 VAL A 818 31.631 7.236 16.394 1.00 17.45 H new ATOM 0 HG13 VAL A 818 32.527 7.554 17.661 1.00 17.45 H new ATOM 0 HG21 VAL A 818 30.603 9.290 19.130 1.00 16.43 H new ATOM 0 HG22 VAL A 818 32.138 9.645 18.968 1.00 16.43 H new ATOM 0 HG23 VAL A 818 31.032 10.681 18.508 1.00 16.43 H new ATOM 988 N LYS A 819 31.536 9.439 13.984 1.00 16.68 N ATOM 989 CA LYS A 819 31.641 8.958 12.648 1.00 18.10 C ATOM 990 C LYS A 819 32.993 9.279 11.945 1.00 17.09 C ATOM 991 O LYS A 819 33.648 8.394 11.373 1.00 20.48 O ATOM 992 CB LYS A 819 30.454 9.432 11.804 1.00 17.89 C ATOM 993 CG LYS A 819 30.412 8.855 10.438 1.00 22.47 C ATOM 994 CD LYS A 819 29.257 9.327 9.576 1.00 27.65 C ATOM 995 CE LYS A 819 28.010 8.583 9.831 1.00 31.42 C ATOM 996 NZ LYS A 819 27.070 8.743 8.685 1.00 36.43 N ATOM 0 H LYS A 819 30.843 9.929 14.125 1.00 16.68 H new ATOM 0 HA LYS A 819 31.619 7.991 12.721 1.00 18.10 H new ATOM 0 HB2 LYS A 819 29.631 9.206 12.265 1.00 17.89 H new ATOM 0 HB3 LYS A 819 30.484 10.399 11.735 1.00 17.89 H new ATOM 0 HG2 LYS A 819 31.243 9.069 9.986 1.00 22.47 H new ATOM 0 HG3 LYS A 819 30.369 7.889 10.511 1.00 22.47 H new ATOM 0 HD2 LYS A 819 29.104 10.271 9.737 1.00 27.65 H new ATOM 0 HD3 LYS A 819 29.498 9.234 8.641 1.00 27.65 H new ATOM 0 HE2 LYS A 819 28.208 7.643 9.966 1.00 31.42 H new ATOM 0 HE3 LYS A 819 27.594 8.905 10.646 1.00 31.42 H new ATOM 0 HZ1 LYS A 819 26.327 8.279 8.843 1.00 36.43 H new ATOM 0 HZ2 LYS A 819 26.866 9.604 8.586 1.00 36.43 H new ATOM 0 HZ3 LYS A 819 27.455 8.442 7.941 1.00 36.43 H new ATOM 997 N THR A 820 33.393 10.513 12.031 1.00 18.76 N ATOM 998 CA THR A 820 34.697 10.930 11.479 1.00 19.81 C ATOM 999 C THR A 820 35.839 10.181 12.151 1.00 20.13 C ATOM 1000 O THR A 820 36.810 9.739 11.506 1.00 21.97 O ATOM 1001 CB THR A 820 34.811 12.414 11.560 1.00 23.63 C ATOM 1002 OG1 THR A 820 33.830 12.908 10.625 1.00 26.24 O ATOM 1003 CG2 THR A 820 36.229 12.796 11.154 1.00 29.55 C ATOM 0 H THR A 820 32.941 11.144 12.401 1.00 18.76 H new ATOM 0 HA THR A 820 34.758 10.692 10.541 1.00 19.81 H new ATOM 0 HB THR A 820 34.652 12.781 12.444 1.00 23.63 H new ATOM 0 HG1 THR A 820 33.842 13.748 10.623 1.00 26.24 H new ATOM 0 HG21 THR A 820 36.330 13.760 11.198 1.00 29.55 H new ATOM 0 HG22 THR A 820 36.863 12.377 11.757 1.00 29.55 H new ATOM 0 HG23 THR A 820 36.398 12.495 10.248 1.00 29.55 H new ATOM 1004 N SER A 821 35.743 10.085 13.459 1.00 19.16 N ATOM 1005 CA SER A 821 36.800 9.418 14.256 1.00 21.10 C ATOM 1006 C SER A 821 36.937 7.950 13.890 1.00 20.88 C ATOM 1007 O SER A 821 38.079 7.444 13.753 1.00 20.68 O ATOM 1008 CB SER A 821 36.545 9.542 15.737 1.00 22.16 C ATOM 1009 OG SER A 821 36.612 10.924 16.212 1.00 22.68 O ATOM 0 H SER A 821 35.085 10.392 13.920 1.00 19.16 H new ATOM 0 HA SER A 821 37.630 9.873 14.043 1.00 21.10 H new ATOM 0 HB2 SER A 821 35.670 9.176 15.942 1.00 22.16 H new ATOM 0 HB3 SER A 821 37.196 9.007 16.219 1.00 22.16 H new ATOM 0 HG SER A 821 35.916 11.334 15.982 1.00 22.68 H new ATOM 1010 N LEU A 822 35.831 7.275 13.663 1.00 19.52 N ATOM 1011 CA LEU A 822 35.875 5.883 13.164 1.00 20.63 C ATOM 1012 C LEU A 822 36.454 5.776 11.789 1.00 24.48 C ATOM 1013 O LEU A 822 37.272 4.884 11.453 1.00 25.32 O ATOM 1014 CB LEU A 822 34.470 5.305 13.146 1.00 23.47 C ATOM 1015 CG LEU A 822 33.966 4.629 14.303 1.00 23.64 C ATOM 1016 CD1 LEU A 822 32.536 4.171 14.037 1.00 22.53 C ATOM 1017 CD2 LEU A 822 34.810 3.348 14.652 1.00 21.94 C ATOM 0 H LEU A 822 35.039 7.588 13.786 1.00 19.52 H new ATOM 0 HA LEU A 822 36.451 5.387 13.767 1.00 20.63 H new ATOM 0 HB2 LEU A 822 33.860 6.032 12.947 1.00 23.47 H new ATOM 0 HB3 LEU A 822 34.422 4.683 12.403 1.00 23.47 H new ATOM 0 HG LEU A 822 34.014 5.254 15.043 1.00 23.64 H new ATOM 0 HD11 LEU A 822 32.192 3.713 14.820 1.00 22.53 H new ATOM 0 HD12 LEU A 822 31.980 4.942 13.844 1.00 22.53 H new ATOM 0 HD13 LEU A 822 32.525 3.567 13.278 1.00 22.53 H new ATOM 0 HD21 LEU A 822 34.438 2.920 15.439 1.00 21.94 H new ATOM 0 HD22 LEU A 822 34.784 2.730 13.905 1.00 21.94 H new ATOM 0 HD23 LEU A 822 35.729 3.604 14.828 1.00 21.94 H new ATOM 1018 N ASN A 823 36.053 6.671 10.914 1.00 24.26 N ATOM 1019 CA ASN A 823 36.532 6.689 9.506 1.00 25.70 C ATOM 1020 C ASN A 823 38.039 6.919 9.452 1.00 25.40 C ATOM 1021 O ASN A 823 38.719 6.328 8.596 1.00 31.03 O ATOM 1022 CB ASN A 823 35.770 7.736 8.684 1.00 29.22 C ATOM 1023 CG ASN A 823 36.291 7.884 7.225 1.00 34.20 C ATOM 1024 OD1 ASN A 823 36.781 8.943 6.824 1.00 43.92 O ATOM 1025 ND2 ASN A 823 36.161 6.858 6.468 1.00 33.78 N ATOM 0 H ASN A 823 35.493 7.297 11.100 1.00 24.26 H new ATOM 0 HA ASN A 823 36.353 5.822 9.110 1.00 25.70 H new ATOM 0 HB2 ASN A 823 34.830 7.497 8.661 1.00 29.22 H new ATOM 0 HB3 ASN A 823 35.833 8.595 9.130 1.00 29.22 H new ATOM 0 HD21 ASN A 823 36.420 6.893 5.649 1.00 33.78 H new ATOM 0 HD22 ASN A 823 35.815 6.135 6.779 1.00 33.78 H new ATOM 1026 N GLU A 824 38.566 7.736 10.337 1.00 23.53 N ATOM 1027 CA GLU A 824 39.946 8.141 10.363 1.00 25.79 C ATOM 1028 C GLU A 824 40.774 7.120 11.213 1.00 27.29 C ATOM 1029 O GLU A 824 41.937 7.338 11.433 1.00 28.07 O ATOM 1030 CB GLU A 824 40.090 9.585 10.855 1.00 30.02 C ATOM 1031 CG GLU A 824 39.599 10.552 9.751 1.00 37.16 C ATOM 1032 CD GLU A 824 39.579 12.078 10.065 1.00 60.23 C ATOM 1033 OE1 GLU A 824 40.101 12.538 11.117 1.00 67.28 O ATOM 1034 OE2 GLU A 824 39.022 12.864 9.217 1.00 72.70 O ATOM 0 H GLU A 824 38.103 8.087 10.971 1.00 23.53 H new ATOM 0 HA GLU A 824 40.304 8.132 9.462 1.00 25.79 H new ATOM 0 HB2 GLU A 824 39.574 9.714 11.666 1.00 30.02 H new ATOM 0 HB3 GLU A 824 41.016 9.772 11.075 1.00 30.02 H new ATOM 0 HG2 GLU A 824 40.158 10.418 8.969 1.00 37.16 H new ATOM 0 HG3 GLU A 824 38.699 10.288 9.505 1.00 37.16 H new ATOM 1035 N GLN A 825 40.164 6.041 11.668 1.00 21.94 N ATOM 1036 CA GLN A 825 40.821 5.025 12.548 1.00 24.59 C ATOM 1037 C GLN A 825 41.491 5.654 13.752 1.00 26.63 C ATOM 1038 O GLN A 825 42.579 5.276 14.122 1.00 26.91 O ATOM 1039 CB GLN A 825 41.804 4.185 11.713 1.00 25.66 C ATOM 1040 CG GLN A 825 41.198 3.451 10.548 1.00 27.99 C ATOM 1041 CD GLN A 825 42.160 2.999 9.451 1.00 29.49 C ATOM 1042 OE1 GLN A 825 42.905 3.797 8.895 1.00 33.16 O ATOM 1043 NE2 GLN A 825 42.022 1.770 9.059 1.00 30.05 N ATOM 0 H GLN A 825 39.345 5.855 11.484 1.00 21.94 H new ATOM 0 HA GLN A 825 40.136 4.439 12.906 1.00 24.59 H new ATOM 0 HB2 GLN A 825 42.503 4.769 11.379 1.00 25.66 H new ATOM 0 HB3 GLN A 825 42.230 3.538 12.297 1.00 25.66 H new ATOM 0 HG2 GLN A 825 40.737 2.668 10.889 1.00 27.99 H new ATOM 0 HG3 GLN A 825 40.526 4.023 10.145 1.00 27.99 H new ATOM 0 HE21 GLN A 825 41.488 1.242 9.478 1.00 30.05 H new ATOM 0 HE22 GLN A 825 42.465 1.483 8.380 1.00 30.05 H new ATOM 1044 N MET A 826 40.795 6.504 14.492 1.00 21.71 N ATOM 1045 CA AMET A 826 41.338 7.180 15.666 0.53 23.00 C ATOM 1046 CA BMET A 826 41.348 7.190 15.654 0.47 23.24 C ATOM 1047 C MET A 826 41.130 6.368 16.921 1.00 22.80 C ATOM 1048 O MET A 826 41.715 6.654 17.943 1.00 28.31 O ATOM 1049 CB AMET A 826 40.674 8.557 15.897 0.53 27.77 C ATOM 1050 CB BMET A 826 40.729 8.604 15.852 0.47 28.34 C ATOM 1051 CG AMET A 826 40.877 9.483 14.720 0.53 30.20 C ATOM 1052 CG BMET A 826 41.051 9.594 14.728 0.47 31.31 C ATOM 1053 SD AMET A 826 42.564 9.978 14.407 0.53 37.96 S ATOM 1054 SD BMET A 826 40.379 11.237 15.132 0.47 41.56 S ATOM 1055 CE AMET A 826 43.005 10.719 15.967 0.53 35.62 C ATOM 1056 CE BMET A 826 39.731 11.900 13.619 0.47 38.62 C ATOM 0 H AMET A 826 39.977 6.710 14.325 0.53 21.71 H new ATOM 0 H BMET A 826 39.974 6.703 14.332 0.47 21.71 H new ATOM 0 HA AMET A 826 42.285 7.291 15.488 0.53 23.24 H new ATOM 0 HA BMET A 826 42.298 7.294 15.488 0.47 23.24 H new ATOM 0 HB2AMET A 826 39.724 8.436 16.053 0.53 28.34 H new ATOM 0 HB2BMET A 826 39.766 8.517 15.926 0.47 28.34 H new ATOM 0 HB3AMET A 826 41.043 8.964 16.696 0.53 28.34 H new ATOM 0 HB3BMET A 826 41.046 8.970 16.692 0.47 28.34 H new ATOM 0 HG2AMET A 826 40.532 9.049 13.924 0.53 31.31 H new ATOM 0 HG2BMET A 826 42.011 9.651 14.603 0.47 31.31 H new ATOM 0 HG3AMET A 826 40.344 10.281 14.862 0.53 31.31 H new ATOM 0 HG3BMET A 826 40.674 9.279 13.892 0.47 31.31 H new ATOM 0 HE1AMET A 826 43.770 11.303 15.843 0.53 38.62 H new ATOM 0 HE1BMET A 826 39.927 12.849 13.571 0.47 38.62 H new ATOM 0 HE2AMET A 826 42.256 11.235 16.304 0.53 38.62 H new ATOM 0 HE2BMET A 826 40.140 11.447 12.865 0.47 38.62 H new ATOM 0 HE3AMET A 826 43.230 10.023 16.604 0.53 38.62 H new ATOM 0 HE3BMET A 826 38.770 11.767 13.592 0.47 38.62 H new ATOM 1057 N TYR A 827 40.284 5.361 16.894 1.00 20.70 N ATOM 1058 CA TYR A 827 40.080 4.543 18.095 1.00 20.80 C ATOM 1059 C TYR A 827 40.901 3.269 17.986 1.00 21.74 C ATOM 1060 O TYR A 827 40.853 2.592 16.973 1.00 24.08 O ATOM 1061 CB TYR A 827 38.655 4.116 18.313 1.00 20.99 C ATOM 1062 CG TYR A 827 37.628 5.250 18.413 1.00 18.24 C ATOM 1063 CD1 TYR A 827 37.699 6.123 19.439 1.00 19.95 C ATOM 1064 CD2 TYR A 827 36.687 5.450 17.401 1.00 18.73 C ATOM 1065 CE1 TYR A 827 36.824 7.212 19.546 1.00 19.55 C ATOM 1066 CE2 TYR A 827 35.760 6.478 17.507 1.00 19.84 C ATOM 1067 CZ TYR A 827 35.809 7.339 18.570 1.00 18.67 C ATOM 1068 OH TYR A 827 34.887 8.405 18.694 1.00 20.46 O ATOM 0 H TYR A 827 39.820 5.128 16.209 1.00 20.70 H new ATOM 0 HA TYR A 827 40.348 5.106 18.838 1.00 20.80 H new ATOM 0 HB2 TYR A 827 38.395 3.530 17.585 1.00 20.99 H new ATOM 0 HB3 TYR A 827 38.613 3.591 19.128 1.00 20.99 H new ATOM 0 HD1 TYR A 827 38.347 5.998 20.094 1.00 19.95 H new ATOM 0 HD2 TYR A 827 36.681 4.894 16.655 1.00 18.73 H new ATOM 0 HE1 TYR A 827 36.908 7.830 20.236 1.00 19.55 H new ATOM 0 HE2 TYR A 827 35.105 6.582 16.855 1.00 19.84 H new ATOM 0 HH TYR A 827 34.936 8.729 19.467 1.00 20.46 H new ATOM 1069 N THR A 828 41.728 3.028 19.000 1.00 20.42 N ATOM 1070 CA THR A 828 42.537 1.818 19.035 1.00 20.95 C ATOM 1071 C THR A 828 41.890 0.636 19.751 1.00 19.57 C ATOM 1072 O THR A 828 42.283 -0.501 19.485 1.00 20.83 O ATOM 1073 CB THR A 828 43.910 2.080 19.669 1.00 24.55 C ATOM 1074 OG1 THR A 828 43.743 2.505 21.011 1.00 26.17 O ATOM 1075 CG2 THR A 828 44.742 3.113 18.874 1.00 27.11 C ATOM 0 H THR A 828 41.834 3.551 19.674 1.00 20.42 H new ATOM 0 HA THR A 828 42.630 1.571 18.102 1.00 20.95 H new ATOM 0 HB THR A 828 44.406 1.247 19.649 1.00 24.55 H new ATOM 0 HG1 THR A 828 44.496 2.646 21.356 1.00 26.17 H new ATOM 0 HG21 THR A 828 45.598 3.245 19.311 1.00 27.11 H new ATOM 0 HG22 THR A 828 44.887 2.787 17.972 1.00 27.11 H new ATOM 0 HG23 THR A 828 44.264 3.956 18.839 1.00 27.11 H new ATOM 1076 N ARG A 829 40.901 0.895 20.644 1.00 18.60 N ATOM 1077 CA AARG A 829 40.160 -0.128 21.338 0.23 19.71 C ATOM 1078 CA BARG A 829 40.175 -0.111 21.343 0.77 19.56 C ATOM 1079 C ARG A 829 38.669 0.215 21.327 1.00 19.46 C ATOM 1080 O ARG A 829 38.289 1.378 21.230 1.00 19.09 O ATOM 1081 CB AARG A 829 40.651 -0.292 22.777 0.23 21.45 C ATOM 1082 CB BARG A 829 40.593 -0.243 22.790 0.77 23.33 C ATOM 1083 CG AARG A 829 42.074 -0.869 22.836 0.23 21.70 C ATOM 1084 CG BARG A 829 42.013 -0.884 22.889 0.77 22.97 C ATOM 1085 CD AARG A 829 42.570 -1.195 24.218 0.23 23.21 C ATOM 1086 CD BARG A 829 42.486 -0.948 24.264 0.77 26.35 C ATOM 1087 NE AARG A 829 43.695 -2.139 24.132 0.23 23.42 N ATOM 1088 NE BARG A 829 43.959 -1.155 24.286 0.77 26.32 N ATOM 1089 CZ AARG A 829 44.964 -1.808 23.916 0.23 25.61 C ATOM 1090 CZ BARG A 829 44.602 -2.320 24.341 0.77 32.66 C ATOM 1091 NH1AARG A 829 45.321 -0.546 23.847 0.23 24.07 N ATOM 1092 NH1BARG A 829 43.983 -3.549 24.370 0.77 30.55 N ATOM 1093 NH2AARG A 829 45.885 -2.758 23.808 0.23 25.43 N ATOM 1094 NH2BARG A 829 45.951 -2.229 24.327 0.77 32.70 N ATOM 0 H AARG A 829 40.656 1.693 20.850 0.23 18.60 H new ATOM 0 H BARG A 829 40.652 1.694 20.843 0.77 18.60 H new ATOM 0 HA AARG A 829 40.302 -0.970 20.877 0.23 19.56 H new ATOM 0 HA BARG A 829 40.367 -0.945 20.886 0.77 19.56 H new ATOM 0 HB2AARG A 829 40.633 0.568 23.224 0.23 23.33 H new ATOM 0 HB2BARG A 829 40.595 0.630 23.213 0.77 23.33 H new ATOM 0 HB3AARG A 829 40.046 -0.876 23.260 0.23 23.33 H new ATOM 0 HB3BARG A 829 39.951 -0.789 23.270 0.77 23.33 H new ATOM 0 HG2AARG A 829 42.104 -1.675 22.297 0.23 22.97 H new ATOM 0 HG2BARG A 829 41.991 -1.778 22.513 0.77 22.97 H new ATOM 0 HG3AARG A 829 42.684 -0.233 22.430 0.23 22.97 H new ATOM 0 HG3BARG A 829 42.638 -0.368 22.356 0.77 22.97 H new ATOM 0 HD2AARG A 829 42.851 -0.384 24.670 0.23 26.35 H new ATOM 0 HD2BARG A 829 42.260 -0.128 24.730 0.77 26.35 H new ATOM 0 HD3AARG A 829 41.853 -1.580 24.746 0.23 26.35 H new ATOM 0 HD3BARG A 829 42.043 -1.672 24.733 0.77 26.35 H new ATOM 0 HE AARG A 829 43.517 -2.975 24.230 0.23 26.32 H new ATOM 0 HE BARG A 829 44.447 -0.447 24.260 0.77 26.32 H new ATOM 0 HH11AARG A 829 44.732 0.073 23.942 0.23 30.55 H new ATOM 0 HH11BARG A 829 43.125 -3.599 24.353 0.77 30.55 H new ATOM 0 HH12AARG A 829 46.144 -0.339 23.707 0.23 30.55 H new ATOM 0 HH12BARG A 829 44.455 -4.267 24.406 0.77 30.55 H new ATOM 0 HH21AARG A 829 45.660 -3.585 23.878 0.23 32.70 H new ATOM 0 HH21BARG A 829 46.330 -1.458 24.285 0.77 32.70 H new ATOM 0 HH22AARG A 829 46.707 -2.546 23.668 0.23 32.70 H new ATOM 0 HH22BARG A 829 46.430 -2.942 24.360 0.77 32.70 H new ATOM 1095 N VAL A 830 37.866 -0.805 21.458 1.00 18.03 N ATOM 1096 CA VAL A 830 36.438 -0.598 21.526 1.00 18.26 C ATOM 1097 C VAL A 830 36.072 0.441 22.594 1.00 17.71 C ATOM 1098 O VAL A 830 35.070 1.238 22.401 1.00 17.33 O ATOM 1099 CB VAL A 830 35.696 -1.898 21.764 1.00 15.67 C ATOM 1100 CG1 VAL A 830 34.220 -1.680 22.078 1.00 18.99 C ATOM 1101 CG2 VAL A 830 35.803 -2.756 20.536 1.00 17.75 C ATOM 0 H VAL A 830 38.119 -1.625 21.510 1.00 18.03 H new ATOM 0 HA VAL A 830 36.159 -0.252 20.664 1.00 18.26 H new ATOM 0 HB VAL A 830 36.103 -2.327 22.533 1.00 15.67 H new ATOM 0 HG11 VAL A 830 33.790 -2.537 22.222 1.00 18.99 H new ATOM 0 HG12 VAL A 830 34.136 -1.138 22.878 1.00 18.99 H new ATOM 0 HG13 VAL A 830 33.794 -1.226 21.334 1.00 18.99 H new ATOM 0 HG21 VAL A 830 35.330 -3.590 20.682 1.00 17.75 H new ATOM 0 HG22 VAL A 830 35.411 -2.290 19.781 1.00 17.75 H new ATOM 0 HG23 VAL A 830 36.737 -2.942 20.352 1.00 17.75 H new ATOM 1102 N GLU A 831 36.756 0.414 23.740 1.00 17.84 N ATOM 1103 CA GLU A 831 36.514 1.322 24.847 1.00 19.50 C ATOM 1104 C GLU A 831 36.464 2.840 24.384 1.00 17.31 C ATOM 1105 O GLU A 831 35.660 3.633 24.892 1.00 18.41 O ATOM 1106 CB GLU A 831 37.652 1.166 25.827 1.00 25.22 C ATOM 1107 CG GLU A 831 37.587 1.987 27.040 1.00 35.10 C ATOM 1108 CD GLU A 831 38.759 1.593 27.972 1.00 45.03 C ATOM 1109 OE1 GLU A 831 39.921 1.483 27.443 1.00 48.87 O ATOM 1110 OE2 GLU A 831 38.457 1.311 29.170 1.00 55.50 O ATOM 0 H GLU A 831 37.388 -0.149 23.893 1.00 17.84 H new ATOM 0 HA GLU A 831 35.654 1.102 25.239 1.00 19.50 H new ATOM 0 HB2 GLU A 831 37.698 0.234 26.093 1.00 25.22 H new ATOM 0 HB3 GLU A 831 38.480 1.371 25.366 1.00 25.22 H new ATOM 0 HG2 GLU A 831 37.641 2.928 26.812 1.00 35.10 H new ATOM 0 HG3 GLU A 831 36.739 1.853 27.491 1.00 35.10 H new ATOM 1111 N GLY A 832 37.330 3.203 23.453 1.00 19.01 N ATOM 1112 CA GLY A 832 37.417 4.572 22.908 1.00 18.94 C ATOM 1113 C GLY A 832 36.121 4.984 22.289 1.00 18.95 C ATOM 1114 O GLY A 832 35.594 6.132 22.564 1.00 18.29 O ATOM 0 H GLY A 832 37.899 2.659 23.106 1.00 19.01 H new ATOM 0 HA2 GLY A 832 37.653 5.192 23.616 1.00 18.94 H new ATOM 0 HA3 GLY A 832 38.124 4.616 22.246 1.00 18.94 H new ATOM 1115 N PHE A 833 35.565 4.119 21.463 1.00 16.81 N ATOM 1116 CA PHE A 833 34.348 4.397 20.738 1.00 17.13 C ATOM 1117 C PHE A 833 33.166 4.454 21.739 1.00 16.48 C ATOM 1118 O PHE A 833 32.336 5.368 21.738 1.00 16.65 O ATOM 1119 CB PHE A 833 34.118 3.314 19.703 1.00 17.70 C ATOM 1120 CG PHE A 833 32.753 3.280 19.124 1.00 16.38 C ATOM 1121 CD1 PHE A 833 32.379 4.195 18.141 1.00 18.70 C ATOM 1122 CD2 PHE A 833 31.812 2.332 19.541 1.00 16.80 C ATOM 1123 CE1 PHE A 833 31.094 4.170 17.622 1.00 17.27 C ATOM 1124 CE2 PHE A 833 30.461 2.334 19.055 1.00 18.17 C ATOM 1125 CZ PHE A 833 30.126 3.253 18.066 1.00 19.12 C ATOM 0 H PHE A 833 35.892 3.339 21.306 1.00 16.81 H new ATOM 0 HA PHE A 833 34.418 5.250 20.282 1.00 17.13 H new ATOM 0 HB2 PHE A 833 34.757 3.432 18.983 1.00 17.70 H new ATOM 0 HB3 PHE A 833 34.304 2.453 20.109 1.00 17.70 H new ATOM 0 HD1 PHE A 833 32.992 4.823 17.833 1.00 18.70 H new ATOM 0 HD2 PHE A 833 32.070 1.680 20.152 1.00 16.80 H new ATOM 0 HE1 PHE A 833 30.865 4.780 16.958 1.00 17.27 H new ATOM 0 HE2 PHE A 833 29.830 1.739 19.391 1.00 18.17 H new ATOM 0 HZ PHE A 833 29.270 3.261 17.702 1.00 19.12 H new ATOM 1126 N VAL A 834 33.089 3.461 22.636 1.00 15.80 N ATOM 1127 CA VAL A 834 31.985 3.391 23.578 1.00 16.86 C ATOM 1128 C VAL A 834 32.020 4.565 24.533 1.00 15.49 C ATOM 1129 O VAL A 834 30.956 5.120 24.831 1.00 16.53 O ATOM 1130 CB VAL A 834 31.954 2.028 24.338 1.00 16.63 C ATOM 1131 CG1 VAL A 834 30.941 2.049 25.461 1.00 17.00 C ATOM 1132 CG2 VAL A 834 31.714 0.900 23.351 1.00 16.54 C ATOM 0 H VAL A 834 33.665 2.827 22.708 1.00 15.80 H new ATOM 0 HA VAL A 834 31.160 3.445 23.071 1.00 16.86 H new ATOM 0 HB VAL A 834 32.815 1.875 24.758 1.00 16.63 H new ATOM 0 HG11 VAL A 834 30.943 1.192 25.915 1.00 17.00 H new ATOM 0 HG12 VAL A 834 31.171 2.749 26.092 1.00 17.00 H new ATOM 0 HG13 VAL A 834 30.058 2.220 25.097 1.00 17.00 H new ATOM 0 HG21 VAL A 834 31.695 0.054 23.825 1.00 16.54 H new ATOM 0 HG22 VAL A 834 30.865 1.038 22.902 1.00 16.54 H new ATOM 0 HG23 VAL A 834 32.428 0.887 22.695 1.00 16.54 H new ATOM 1133 N GLN A 835 33.191 4.979 24.972 1.00 17.48 N ATOM 1134 CA GLN A 835 33.313 6.144 25.866 1.00 19.04 C ATOM 1135 C GLN A 835 32.755 7.405 25.181 1.00 18.51 C ATOM 1136 O GLN A 835 32.040 8.171 25.846 1.00 18.63 O ATOM 1137 CB GLN A 835 34.727 6.431 26.344 1.00 20.82 C ATOM 1138 CG GLN A 835 35.087 5.422 27.430 1.00 23.76 C ATOM 1139 CD GLN A 835 36.567 5.452 27.831 1.00 31.13 C ATOM 1140 OE1 GLN A 835 37.436 5.991 27.122 1.00 32.91 O ATOM 1141 NE2 GLN A 835 36.860 4.745 28.947 1.00 36.53 N ATOM 0 H GLN A 835 33.939 4.606 24.770 1.00 17.48 H new ATOM 0 HA GLN A 835 32.795 5.912 26.653 1.00 19.04 H new ATOM 0 HB2 GLN A 835 35.352 6.367 25.605 1.00 20.82 H new ATOM 0 HB3 GLN A 835 34.788 7.335 26.690 1.00 20.82 H new ATOM 0 HG2 GLN A 835 34.544 5.595 28.215 1.00 23.76 H new ATOM 0 HG3 GLN A 835 34.862 4.531 27.120 1.00 23.76 H new ATOM 0 HE21 GLN A 835 36.228 4.389 29.409 1.00 36.53 H new ATOM 0 HE22 GLN A 835 37.678 4.652 29.195 1.00 36.53 H new ATOM 1142 N ASP A 836 33.148 7.647 23.959 1.00 17.50 N ATOM 1143 CA ASP A 836 32.641 8.855 23.239 1.00 16.67 C ATOM 1144 C ASP A 836 31.142 8.754 23.034 1.00 16.69 C ATOM 1145 O ASP A 836 30.442 9.756 23.189 1.00 16.33 O ATOM 1146 CB ASP A 836 33.274 9.042 21.881 1.00 17.25 C ATOM 1147 CG ASP A 836 34.668 9.718 21.958 1.00 19.50 C ATOM 1148 OD1 ASP A 836 35.075 10.180 23.063 1.00 23.36 O ATOM 1149 OD2 ASP A 836 35.330 9.781 20.899 1.00 21.77 O ATOM 0 H ASP A 836 33.694 7.156 23.512 1.00 17.50 H new ATOM 0 HA ASP A 836 32.873 9.613 23.797 1.00 16.67 H new ATOM 0 HB2 ASP A 836 33.361 8.179 21.447 1.00 17.25 H new ATOM 0 HB3 ASP A 836 32.688 9.580 21.326 1.00 17.25 H new ATOM 1150 N MET A 837 30.600 7.584 22.673 1.00 15.80 N ATOM 1151 CA MET A 837 29.152 7.430 22.534 1.00 15.52 C ATOM 1152 C MET A 837 28.434 7.715 23.844 1.00 17.50 C ATOM 1153 O MET A 837 27.459 8.512 23.859 1.00 16.93 O ATOM 1154 CB MET A 837 28.777 6.036 22.014 1.00 15.14 C ATOM 1155 CG MET A 837 29.281 5.781 20.605 1.00 16.49 C ATOM 1156 SD MET A 837 28.364 6.850 19.346 1.00 17.73 S ATOM 1157 CE MET A 837 26.792 6.049 19.291 1.00 17.70 C ATOM 0 H MET A 837 31.054 6.873 22.506 1.00 15.80 H new ATOM 0 HA MET A 837 28.862 8.084 21.879 1.00 15.52 H new ATOM 0 HB2 MET A 837 29.142 5.364 22.610 1.00 15.14 H new ATOM 0 HB3 MET A 837 27.812 5.937 22.031 1.00 15.14 H new ATOM 0 HG2 MET A 837 30.232 5.968 20.560 1.00 16.49 H new ATOM 0 HG3 MET A 837 29.166 4.844 20.382 1.00 16.49 H new ATOM 0 HE1 MET A 837 26.270 6.410 18.557 1.00 17.70 H new ATOM 0 HE2 MET A 837 26.918 5.096 19.160 1.00 17.70 H new ATOM 0 HE3 MET A 837 26.322 6.200 20.126 1.00 17.70 H new ATOM 1158 N ARG A 838 28.926 7.179 24.969 1.00 15.00 N ATOM 1159 CA ARG A 838 28.204 7.395 26.213 1.00 16.63 C ATOM 1160 C ARG A 838 28.305 8.866 26.680 1.00 16.58 C ATOM 1161 O ARG A 838 27.375 9.350 27.363 1.00 18.15 O ATOM 1162 CB ARG A 838 28.758 6.414 27.312 1.00 17.12 C ATOM 1163 CG ARG A 838 28.318 4.963 27.047 1.00 18.40 C ATOM 1164 CD ARG A 838 28.979 3.943 27.995 1.00 18.23 C ATOM 1165 NE ARG A 838 28.237 2.652 27.854 1.00 19.85 N ATOM 1166 CZ ARG A 838 28.689 1.478 28.353 1.00 24.25 C ATOM 1167 NH1 ARG A 838 29.912 1.439 28.896 1.00 22.49 N ATOM 1168 NH2 ARG A 838 27.942 0.398 28.252 1.00 22.35 N ATOM 0 H ARG A 838 29.644 6.709 25.027 1.00 15.00 H new ATOM 0 HA ARG A 838 27.263 7.210 26.064 1.00 16.63 H new ATOM 0 HB2 ARG A 838 29.727 6.461 27.331 1.00 17.12 H new ATOM 0 HB3 ARG A 838 28.443 6.694 28.186 1.00 17.12 H new ATOM 0 HG2 ARG A 838 27.354 4.902 27.138 1.00 18.40 H new ATOM 0 HG3 ARG A 838 28.532 4.729 26.130 1.00 18.40 H new ATOM 0 HD2 ARG A 838 29.915 3.825 27.770 1.00 18.23 H new ATOM 0 HD3 ARG A 838 28.945 4.258 28.912 1.00 18.23 H new ATOM 0 HE ARG A 838 27.486 2.656 27.435 1.00 19.85 H new ATOM 0 HH11 ARG A 838 30.394 2.151 28.923 1.00 22.49 H new ATOM 0 HH12 ARG A 838 30.216 0.702 29.218 1.00 22.49 H new ATOM 0 HH21 ARG A 838 27.172 0.442 27.871 1.00 22.35 H new ATOM 0 HH22 ARG A 838 28.224 -0.351 28.567 1.00 22.35 H new ATOM 1169 N LEU A 839 29.369 9.530 26.275 1.00 17.09 N ATOM 1170 CA LEU A 839 29.638 10.913 26.650 1.00 17.59 C ATOM 1171 C LEU A 839 28.591 11.827 25.988 1.00 17.58 C ATOM 1172 O LEU A 839 28.121 12.802 26.638 1.00 18.85 O ATOM 1173 CB LEU A 839 31.046 11.330 26.232 1.00 20.15 C ATOM 1174 CG LEU A 839 31.502 12.766 26.587 1.00 21.01 C ATOM 1175 CD1 LEU A 839 31.498 12.940 28.085 1.00 23.91 C ATOM 1176 CD2 LEU A 839 32.831 13.073 25.977 1.00 22.68 C ATOM 0 H LEU A 839 29.970 9.188 25.764 1.00 17.09 H new ATOM 0 HA LEU A 839 29.580 10.995 27.615 1.00 17.59 H new ATOM 0 HB2 LEU A 839 31.674 10.709 26.634 1.00 20.15 H new ATOM 0 HB3 LEU A 839 31.117 11.223 25.271 1.00 20.15 H new ATOM 0 HG LEU A 839 30.877 13.406 26.212 1.00 21.01 H new ATOM 0 HD11 LEU A 839 31.784 13.840 28.307 1.00 23.91 H new ATOM 0 HD12 LEU A 839 30.602 12.792 28.426 1.00 23.91 H new ATOM 0 HD13 LEU A 839 32.106 12.300 28.487 1.00 23.91 H new ATOM 0 HD21 LEU A 839 33.095 13.976 26.213 1.00 22.68 H new ATOM 0 HD22 LEU A 839 33.492 12.446 26.309 1.00 22.68 H new ATOM 0 HD23 LEU A 839 32.770 12.996 25.012 1.00 22.68 H new ATOM 1177 N ILE A 840 28.193 11.475 24.777 1.00 16.15 N ATOM 1178 CA ILE A 840 27.089 12.228 24.103 1.00 15.84 C ATOM 1179 C ILE A 840 25.901 12.318 25.061 1.00 17.94 C ATOM 1180 O ILE A 840 25.305 13.390 25.250 1.00 18.30 O ATOM 1181 CB ILE A 840 26.699 11.641 22.731 1.00 16.44 C ATOM 1182 CG1 ILE A 840 27.885 11.653 21.746 1.00 18.14 C ATOM 1183 CG2 ILE A 840 25.397 12.219 22.163 1.00 16.44 C ATOM 1184 CD1 ILE A 840 27.613 10.892 20.464 1.00 20.40 C ATOM 0 H ILE A 840 28.524 10.825 24.321 1.00 16.15 H new ATOM 0 HA ILE A 840 27.406 13.122 23.900 1.00 15.84 H new ATOM 0 HB ILE A 840 26.487 10.706 22.877 1.00 16.44 H new ATOM 0 HG12 ILE A 840 28.106 12.572 21.528 1.00 18.14 H new ATOM 0 HG13 ILE A 840 28.662 11.271 22.182 1.00 18.14 H new ATOM 0 HG21 ILE A 840 25.209 11.811 21.303 1.00 16.44 H new ATOM 0 HG22 ILE A 840 24.667 12.035 22.775 1.00 16.44 H new ATOM 0 HG23 ILE A 840 25.490 13.178 22.051 1.00 16.44 H new ATOM 0 HD11 ILE A 840 28.393 10.937 19.889 1.00 20.40 H new ATOM 0 HD12 ILE A 840 27.418 9.965 20.673 1.00 20.40 H new ATOM 0 HD13 ILE A 840 26.853 11.287 20.008 1.00 20.40 H new ATOM 1185 N PHE A 841 25.459 11.202 25.579 1.00 17.27 N ATOM 1186 CA PHE A 841 24.232 11.211 26.365 1.00 17.32 C ATOM 1187 C PHE A 841 24.430 11.748 27.741 1.00 18.97 C ATOM 1188 O PHE A 841 23.518 12.367 28.293 1.00 20.92 O ATOM 1189 CB PHE A 841 23.590 9.809 26.301 1.00 19.64 C ATOM 1190 CG PHE A 841 23.526 9.271 24.920 1.00 18.88 C ATOM 1191 CD1 PHE A 841 22.779 9.867 23.935 1.00 19.27 C ATOM 1192 CD2 PHE A 841 24.277 8.145 24.603 1.00 18.08 C ATOM 1193 CE1 PHE A 841 22.747 9.328 22.637 1.00 22.79 C ATOM 1194 CE2 PHE A 841 24.229 7.590 23.278 1.00 19.23 C ATOM 1195 CZ PHE A 841 23.519 8.206 22.329 1.00 20.94 C ATOM 0 H PHE A 841 25.839 10.435 25.496 1.00 17.27 H new ATOM 0 HA PHE A 841 23.600 11.837 25.978 1.00 17.32 H new ATOM 0 HB2 PHE A 841 24.098 9.199 26.858 1.00 19.64 H new ATOM 0 HB3 PHE A 841 22.694 9.851 26.670 1.00 19.64 H new ATOM 0 HD1 PHE A 841 22.290 10.634 24.128 1.00 19.27 H new ATOM 0 HD2 PHE A 841 24.813 7.749 25.251 1.00 18.08 H new ATOM 0 HE1 PHE A 841 22.212 9.718 21.984 1.00 22.79 H new ATOM 0 HE2 PHE A 841 24.690 6.806 23.082 1.00 19.23 H new ATOM 0 HZ PHE A 841 23.539 7.885 21.456 1.00 20.94 H new ATOM 1196 N HIS A 842 25.585 11.518 28.334 1.00 17.98 N ATOM 1197 CA HIS A 842 25.916 12.033 29.658 1.00 21.26 C ATOM 1198 C HIS A 842 25.956 13.594 29.642 1.00 21.49 C ATOM 1199 O HIS A 842 25.352 14.234 30.527 1.00 20.87 O ATOM 1200 CB HIS A 842 27.240 11.521 30.165 1.00 24.04 C ATOM 1201 CG HIS A 842 27.420 11.763 31.617 1.00 30.19 C ATOM 1202 ND1 HIS A 842 28.211 12.773 32.103 1.00 38.09 N ATOM 1203 CD2 HIS A 842 26.878 11.153 32.699 1.00 41.24 C ATOM 1204 CE1 HIS A 842 28.188 12.755 33.423 1.00 32.81 C ATOM 1205 NE2 HIS A 842 27.370 11.794 33.813 1.00 39.35 N ATOM 0 H HIS A 842 26.213 11.051 27.977 1.00 17.98 H new ATOM 0 HA HIS A 842 25.220 11.718 30.256 1.00 21.26 H new ATOM 0 HB2 HIS A 842 27.306 10.570 29.987 1.00 24.04 H new ATOM 0 HB3 HIS A 842 27.959 11.951 29.676 1.00 24.04 H new ATOM 0 HD1 HIS A 842 28.654 13.332 31.622 1.00 38.09 H new ATOM 0 HD2 HIS A 842 26.285 10.436 32.690 1.00 41.24 H new ATOM 0 HE1 HIS A 842 28.667 13.323 33.983 1.00 32.81 H new ATOM 1206 N ASN A 843 26.537 14.153 28.595 1.00 18.28 N ATOM 1207 CA ASN A 843 26.628 15.640 28.444 1.00 18.94 C ATOM 1208 C ASN A 843 25.231 16.200 28.342 1.00 19.68 C ATOM 1209 O ASN A 843 24.917 17.195 29.004 1.00 22.48 O ATOM 1210 CB ASN A 843 27.407 16.016 27.213 1.00 18.45 C ATOM 1211 CG ASN A 843 28.905 15.879 27.370 1.00 17.09 C ATOM 1212 OD1 ASN A 843 29.450 15.661 28.474 1.00 20.16 O ATOM 1213 ND2 ASN A 843 29.586 16.041 26.271 1.00 18.41 N ATOM 0 H ASN A 843 26.891 13.709 27.949 1.00 18.28 H new ATOM 0 HA ASN A 843 27.089 16.005 29.215 1.00 18.94 H new ATOM 0 HB2 ASN A 843 27.116 15.459 26.474 1.00 18.45 H new ATOM 0 HB3 ASN A 843 27.198 16.933 26.976 1.00 18.45 H new ATOM 0 HD21 ASN A 843 30.445 16.000 26.287 1.00 18.41 H new ATOM 0 HD22 ASN A 843 29.177 16.189 25.529 1.00 18.41 H new ATOM 1214 N HIS A 844 24.362 15.550 27.595 1.00 17.82 N ATOM 1215 CA HIS A 844 22.976 15.991 27.408 1.00 20.63 C ATOM 1216 C HIS A 844 22.190 15.966 28.732 1.00 20.67 C ATOM 1217 O HIS A 844 21.574 16.959 29.117 1.00 20.75 O ATOM 1218 CB HIS A 844 22.288 15.118 26.373 1.00 19.51 C ATOM 1219 CG HIS A 844 20.846 15.444 26.116 1.00 19.40 C ATOM 1220 ND1 HIS A 844 20.468 16.302 25.104 1.00 21.91 N ATOM 1221 CD2 HIS A 844 19.716 15.040 26.705 1.00 18.70 C ATOM 1222 CE1 HIS A 844 19.142 16.325 25.036 1.00 20.49 C ATOM 1223 NE2 HIS A 844 18.671 15.655 26.062 1.00 18.66 N ATOM 0 H HIS A 844 24.554 14.827 27.171 1.00 17.82 H new ATOM 0 HA HIS A 844 22.995 16.908 27.093 1.00 20.63 H new ATOM 0 HB2 HIS A 844 22.774 15.189 25.537 1.00 19.51 H new ATOM 0 HB3 HIS A 844 22.349 14.193 26.659 1.00 19.51 H new ATOM 0 HD2 HIS A 844 19.650 14.450 27.420 1.00 18.70 H new ATOM 0 HE1 HIS A 844 18.636 16.743 24.377 1.00 20.49 H new ATOM 0 HE2 HIS A 844 17.844 15.609 26.293 1.00 18.66 H new ATOM 1224 N LYS A 845 22.336 14.905 29.502 1.00 21.16 N ATOM 1225 CA ALYS A 845 21.648 14.799 30.816 0.50 23.49 C ATOM 1226 CA BLYS A 845 21.618 14.810 30.774 0.50 23.90 C ATOM 1227 C LYS A 845 22.089 15.846 31.772 1.00 24.96 C ATOM 1228 O LYS A 845 21.275 16.477 32.452 1.00 28.45 O ATOM 1229 CB ALYS A 845 21.941 13.449 31.451 0.50 25.94 C ATOM 1230 CB BLYS A 845 21.780 13.411 31.337 0.50 25.90 C ATOM 1231 CG ALYS A 845 21.246 12.356 30.731 0.50 30.93 C ATOM 1232 CG BLYS A 845 21.080 13.251 32.661 0.50 31.42 C ATOM 1233 CD ALYS A 845 21.827 10.980 31.059 0.50 35.91 C ATOM 1234 CD BLYS A 845 22.096 13.082 33.713 0.50 33.99 C ATOM 1235 CE ALYS A 845 21.007 10.315 32.129 0.50 36.87 C ATOM 1236 CE BLYS A 845 22.184 11.615 34.025 0.50 35.31 C ATOM 1237 NZ ALYS A 845 21.146 8.830 32.012 0.50 39.61 N ATOM 1238 NZ BLYS A 845 21.228 11.284 35.121 0.50 36.76 N ATOM 0 H ALYS A 845 22.824 14.227 29.299 0.50 21.16 H new ATOM 0 H BLYS A 845 22.838 14.232 29.316 0.50 21.16 H new ATOM 0 HA ALYS A 845 20.701 14.910 30.639 0.50 23.90 H new ATOM 0 HA BLYS A 845 20.679 14.989 30.607 0.50 23.90 H new ATOM 0 HB2ALYS A 845 22.897 13.287 31.445 0.50 25.90 H new ATOM 0 HB2BLYS A 845 21.426 12.766 30.705 0.50 25.90 H new ATOM 0 HB3ALYS A 845 21.660 13.458 32.379 0.50 25.90 H new ATOM 0 HB3BLYS A 845 22.724 13.214 31.445 0.50 25.90 H new ATOM 0 HG2ALYS A 845 20.304 12.369 30.960 0.50 31.42 H new ATOM 0 HG2BLYS A 845 20.529 14.028 32.847 0.50 31.42 H new ATOM 0 HG3ALYS A 845 21.308 12.511 29.775 0.50 31.42 H new ATOM 0 HG3BLYS A 845 20.488 12.483 32.638 0.50 31.42 H new ATOM 0 HD2ALYS A 845 21.840 10.428 30.261 0.50 33.99 H new ATOM 0 HD2BLYS A 845 22.955 13.419 33.415 0.50 33.99 H new ATOM 0 HD3ALYS A 845 22.746 11.071 31.356 0.50 33.99 H new ATOM 0 HD3BLYS A 845 21.853 13.585 34.506 0.50 33.99 H new ATOM 0 HE2ALYS A 845 21.301 10.609 33.005 0.50 35.31 H new ATOM 0 HE2BLYS A 845 21.978 11.093 33.234 0.50 35.31 H new ATOM 0 HE3ALYS A 845 20.075 10.570 32.042 0.50 35.31 H new ATOM 0 HE3BLYS A 845 23.088 11.384 34.290 0.50 35.31 H new ATOM 0 HZ1ALYS A 845 20.661 8.435 32.645 0.50 36.76 H new ATOM 0 HZ1BLYS A 845 21.279 10.415 35.307 0.50 36.76 H new ATOM 0 HZ2ALYS A 845 20.859 8.567 31.212 0.50 36.76 H new ATOM 0 HZ2BLYS A 845 21.434 11.755 35.847 0.50 36.76 H new ATOM 0 HZ3ALYS A 845 22.001 8.603 32.109 0.50 36.76 H new ATOM 0 HZ3BLYS A 845 20.400 11.484 34.863 0.50 36.76 H new ATOM 1239 N GLU A 846 23.375 16.048 31.840 1.00 23.56 N ATOM 1240 CA GLU A 846 23.892 17.076 32.734 1.00 28.17 C ATOM 1241 C GLU A 846 23.470 18.495 32.346 1.00 24.95 C ATOM 1242 O GLU A 846 23.191 19.331 33.208 1.00 30.49 O ATOM 1243 CB GLU A 846 25.385 16.962 32.843 1.00 30.32 C ATOM 1244 CG GLU A 846 25.817 15.631 33.502 1.00 35.04 C ATOM 1245 CD GLU A 846 25.289 15.507 34.948 1.00 47.78 C ATOM 1246 OE1 GLU A 846 25.802 16.274 35.804 1.00 53.02 O ATOM 1247 OE2 GLU A 846 24.349 14.698 35.185 1.00 46.86 O ATOM 0 H GLU A 846 23.968 15.616 31.391 1.00 23.56 H new ATOM 0 HA GLU A 846 23.494 16.916 33.604 1.00 28.17 H new ATOM 0 HB2 GLU A 846 25.779 17.027 31.959 1.00 30.32 H new ATOM 0 HB3 GLU A 846 25.728 17.706 33.362 1.00 30.32 H new ATOM 0 HG2 GLU A 846 25.489 14.887 32.973 1.00 35.04 H new ATOM 0 HG3 GLU A 846 26.785 15.571 33.505 1.00 35.04 H new ATOM 1248 N PHE A 847 23.407 18.778 31.063 1.00 21.89 N ATOM 1249 CA PHE A 847 23.161 20.196 30.625 1.00 24.20 C ATOM 1250 C PHE A 847 21.667 20.556 30.819 1.00 25.27 C ATOM 1251 O PHE A 847 21.326 21.665 31.252 1.00 25.85 O ATOM 1252 CB PHE A 847 23.574 20.379 29.197 1.00 22.75 C ATOM 1253 CG PHE A 847 23.361 21.791 28.703 1.00 21.88 C ATOM 1254 CD1 PHE A 847 24.174 22.785 29.174 1.00 24.41 C ATOM 1255 CD2 PHE A 847 22.365 22.080 27.830 1.00 21.51 C ATOM 1256 CE1 PHE A 847 24.030 24.117 28.713 1.00 22.50 C ATOM 1257 CE2 PHE A 847 22.160 23.415 27.389 1.00 23.57 C ATOM 1258 CZ PHE A 847 23.018 24.415 27.830 1.00 23.25 C ATOM 0 H PHE A 847 23.497 18.206 30.427 1.00 21.89 H new ATOM 0 HA PHE A 847 23.695 20.794 31.171 1.00 24.20 H new ATOM 0 HB2 PHE A 847 24.511 20.146 29.103 1.00 22.75 H new ATOM 0 HB3 PHE A 847 23.071 19.766 28.638 1.00 22.75 H new ATOM 0 HD1 PHE A 847 24.828 22.584 29.804 1.00 24.41 H new ATOM 0 HD2 PHE A 847 21.812 21.400 27.518 1.00 21.51 H new ATOM 0 HE1 PHE A 847 24.612 24.781 29.004 1.00 22.50 H new ATOM 0 HE2 PHE A 847 21.459 23.617 26.812 1.00 23.57 H new ATOM 0 HZ PHE A 847 22.908 25.288 27.528 1.00 23.25 H new ATOM 1259 N TYR A 848 20.777 19.640 30.434 1.00 20.80 N ATOM 1260 CA TYR A 848 19.361 19.892 30.427 1.00 23.23 C ATOM 1261 C TYR A 848 18.724 19.670 31.777 1.00 29.84 C ATOM 1262 O TYR A 848 17.610 20.167 31.965 1.00 41.77 O ATOM 1263 CB TYR A 848 18.614 19.231 29.268 1.00 22.83 C ATOM 1264 CG TYR A 848 18.958 19.872 27.942 1.00 22.99 C ATOM 1265 CD1 TYR A 848 18.438 21.101 27.547 1.00 23.30 C ATOM 1266 CD2 TYR A 848 19.844 19.291 27.064 1.00 19.88 C ATOM 1267 CE1 TYR A 848 18.817 21.678 26.378 1.00 21.97 C ATOM 1268 CE2 TYR A 848 20.151 19.834 25.856 1.00 22.22 C ATOM 1269 CZ TYR A 848 19.655 21.054 25.529 1.00 25.26 C ATOM 1270 OH TYR A 848 20.011 21.623 24.313 1.00 27.47 O ATOM 0 H TYR A 848 20.993 18.851 30.169 1.00 20.80 H new ATOM 0 HA TYR A 848 19.268 20.841 30.249 1.00 23.23 H new ATOM 0 HB2 TYR A 848 18.834 18.287 29.238 1.00 22.83 H new ATOM 0 HB3 TYR A 848 17.658 19.295 29.420 1.00 22.83 H new ATOM 0 HD1 TYR A 848 17.821 21.534 28.092 1.00 23.30 H new ATOM 0 HD2 TYR A 848 20.251 18.491 27.308 1.00 19.88 H new ATOM 0 HE1 TYR A 848 18.491 22.521 26.159 1.00 21.97 H new ATOM 0 HE2 TYR A 848 20.696 19.374 25.259 1.00 22.22 H new ATOM 0 HH TYR A 848 19.997 22.460 24.380 1.00 27.47 H new ATOM 1271 N ARG A 849 19.413 19.078 32.743 1.00 30.45 N ATOM 1272 CA ARG A 849 19.006 19.147 34.183 1.00 43.46 C ATOM 1273 C ARG A 849 17.562 18.667 34.307 1.00 41.43 C ATOM 1274 O ARG A 849 17.298 17.533 34.003 1.00 45.22 O ATOM 1275 CB ARG A 849 19.094 20.564 34.787 1.00 50.68 C ATOM 1276 CG ARG A 849 20.407 21.265 34.731 1.00 63.96 C ATOM 1277 CD ARG A 849 21.391 20.723 35.723 1.00 71.83 C ATOM 1278 NE ARG A 849 22.481 21.701 35.830 1.00 77.08 N ATOM 1279 CZ ARG A 849 22.693 22.526 36.849 1.00 74.07 C ATOM 1280 NH1 ARG A 849 21.918 22.511 37.925 1.00 76.07 N ATOM 1281 NH2 ARG A 849 23.723 23.365 36.797 1.00 77.99 N ATOM 0 H ARG A 849 20.129 18.622 32.604 1.00 30.45 H new ATOM 0 HA ARG A 849 19.626 18.586 34.674 1.00 43.46 H new ATOM 0 HB2 ARG A 849 18.440 21.121 34.336 1.00 50.68 H new ATOM 0 HB3 ARG A 849 18.826 20.508 35.718 1.00 50.68 H new ATOM 0 HG2 ARG A 849 20.775 21.184 33.837 1.00 63.96 H new ATOM 0 HG3 ARG A 849 20.272 22.211 34.898 1.00 63.96 H new ATOM 0 HD2 ARG A 849 20.968 20.586 36.585 1.00 71.83 H new ATOM 0 HD3 ARG A 849 21.731 19.862 35.433 1.00 71.83 H new ATOM 0 HE ARG A 849 23.033 21.744 35.172 1.00 77.08 H new ATOM 0 HH11 ARG A 849 21.261 21.958 37.974 1.00 76.07 H new ATOM 0 HH12 ARG A 849 22.073 23.054 38.574 1.00 76.07 H new ATOM 0 HH21 ARG A 849 24.241 23.368 36.110 1.00 77.99 H new ATOM 0 HH22 ARG A 849 23.872 23.904 37.450 1.00 77.99 H new ATOM 1282 N GLU A 850 16.626 19.534 34.689 1.00 42.34 N ATOM 1283 CA GLU A 850 15.303 19.045 34.978 1.00 45.29 C ATOM 1284 C GLU A 850 14.367 19.308 33.819 1.00 35.20 C ATOM 1285 O GLU A 850 13.211 18.931 33.931 1.00 40.80 O ATOM 1286 CB GLU A 850 14.724 19.635 36.298 1.00 52.70 C ATOM 1287 CG GLU A 850 15.574 19.475 37.569 1.00 61.81 C ATOM 1288 CD GLU A 850 15.900 18.034 37.915 1.00 69.59 C ATOM 1289 OE1 GLU A 850 14.960 17.325 38.327 1.00 88.35 O ATOM 1290 OE2 GLU A 850 17.085 17.607 37.790 1.00 75.56 O ATOM 0 H GLU A 850 16.740 20.381 34.782 1.00 42.34 H new ATOM 0 HA GLU A 850 15.380 18.087 35.106 1.00 45.29 H new ATOM 0 HB2 GLU A 850 14.564 20.582 36.160 1.00 52.70 H new ATOM 0 HB3 GLU A 850 13.861 19.222 36.459 1.00 52.70 H new ATOM 0 HG2 GLU A 850 16.403 19.967 37.457 1.00 61.81 H new ATOM 0 HG3 GLU A 850 15.103 19.879 38.315 1.00 61.81 H new ATOM 1291 N ASP A 851 14.820 19.921 32.713 1.00 30.72 N ATOM 1292 CA ASP A 851 13.970 20.095 31.573 1.00 27.62 C ATOM 1293 C ASP A 851 13.581 18.713 31.071 1.00 28.32 C ATOM 1294 O ASP A 851 14.440 17.790 31.030 1.00 26.67 O ATOM 1295 CB ASP A 851 14.647 20.858 30.419 1.00 32.52 C ATOM 1296 CG ASP A 851 13.675 21.368 29.351 1.00 33.85 C ATOM 1297 OD1 ASP A 851 13.040 20.603 28.531 1.00 27.86 O ATOM 1298 OD2 ASP A 851 13.722 22.629 29.179 1.00 36.18 O ATOM 0 H ASP A 851 15.615 20.235 32.622 1.00 30.72 H new ATOM 0 HA ASP A 851 13.205 20.622 31.852 1.00 27.62 H new ATOM 0 HB2 ASP A 851 15.135 21.612 30.785 1.00 32.52 H new ATOM 0 HB3 ASP A 851 15.299 20.276 29.998 1.00 32.52 H new ATOM 1299 N LYS A 852 12.353 18.604 30.583 1.00 22.69 N ATOM 1300 CA LYS A 852 11.880 17.332 30.116 1.00 23.87 C ATOM 1301 C LYS A 852 12.665 16.883 28.851 1.00 21.28 C ATOM 1302 O LYS A 852 12.631 15.686 28.524 1.00 21.92 O ATOM 1303 CB LYS A 852 10.396 17.305 29.848 1.00 28.22 C ATOM 1304 CG LYS A 852 9.995 18.253 28.778 1.00 30.08 C ATOM 1305 CD LYS A 852 8.492 18.475 28.744 1.00 36.43 C ATOM 1306 CE LYS A 852 8.183 19.574 27.717 1.00 36.85 C ATOM 1307 NZ LYS A 852 6.751 19.637 27.352 1.00 32.84 N ATOM 0 H LYS A 852 11.791 19.251 30.518 1.00 22.69 H new ATOM 0 HA LYS A 852 12.042 16.704 30.837 1.00 23.87 H new ATOM 0 HB2 LYS A 852 10.132 16.406 29.596 1.00 28.22 H new ATOM 0 HB3 LYS A 852 9.919 17.522 30.664 1.00 28.22 H new ATOM 0 HG2 LYS A 852 10.443 19.102 28.916 1.00 30.08 H new ATOM 0 HG3 LYS A 852 10.290 17.913 27.919 1.00 30.08 H new ATOM 0 HD2 LYS A 852 8.035 17.653 28.505 1.00 36.43 H new ATOM 0 HD3 LYS A 852 8.170 18.734 29.622 1.00 36.43 H new ATOM 0 HE2 LYS A 852 8.458 20.432 28.076 1.00 36.85 H new ATOM 0 HE3 LYS A 852 8.709 19.419 26.917 1.00 36.85 H new ATOM 0 HZ1 LYS A 852 6.649 20.159 26.639 1.00 32.84 H new ATOM 0 HZ2 LYS A 852 6.456 18.819 27.164 1.00 32.84 H new ATOM 0 HZ3 LYS A 852 6.285 19.971 28.033 1.00 32.84 H new ATOM 1308 N PHE A 853 13.376 17.801 28.206 1.00 21.09 N ATOM 1309 CA PHE A 853 14.164 17.480 27.033 1.00 20.96 C ATOM 1310 C PHE A 853 15.291 16.482 27.429 1.00 20.24 C ATOM 1311 O PHE A 853 15.819 15.768 26.532 1.00 19.51 O ATOM 1312 CB PHE A 853 14.711 18.741 26.394 1.00 22.29 C ATOM 1313 CG PHE A 853 15.384 18.575 25.039 1.00 21.04 C ATOM 1314 CD1 PHE A 853 14.673 18.096 23.964 1.00 22.30 C ATOM 1315 CD2 PHE A 853 16.700 18.969 24.824 1.00 20.91 C ATOM 1316 CE1 PHE A 853 15.242 17.995 22.711 1.00 23.20 C ATOM 1317 CE2 PHE A 853 17.273 18.927 23.551 1.00 23.89 C ATOM 1318 CZ PHE A 853 16.550 18.422 22.516 1.00 22.60 C ATOM 0 H PHE A 853 13.412 18.628 28.440 1.00 21.09 H new ATOM 0 HA PHE A 853 13.603 17.053 26.367 1.00 20.96 H new ATOM 0 HB2 PHE A 853 13.982 19.373 26.296 1.00 22.29 H new ATOM 0 HB3 PHE A 853 15.351 19.139 27.005 1.00 22.29 H new ATOM 0 HD1 PHE A 853 13.789 17.834 24.084 1.00 22.30 H new ATOM 0 HD2 PHE A 853 17.209 19.267 25.543 1.00 20.91 H new ATOM 0 HE1 PHE A 853 14.754 17.644 22.002 1.00 23.20 H new ATOM 0 HE2 PHE A 853 18.138 19.240 23.413 1.00 23.89 H new ATOM 0 HZ PHE A 853 16.934 18.362 21.671 1.00 22.60 H new ATOM 1319 N THR A 854 15.651 16.411 28.685 1.00 20.10 N ATOM 1320 CA ATHR A 854 16.628 15.405 29.158 0.37 21.76 C ATOM 1321 CA BTHR A 854 16.632 15.391 29.098 0.63 20.88 C ATOM 1322 C THR A 854 16.215 14.000 28.685 1.00 21.57 C ATOM 1323 O THR A 854 17.104 13.118 28.420 1.00 20.59 O ATOM 1324 CB ATHR A 854 16.789 15.448 30.723 0.37 23.34 C ATOM 1325 CB BTHR A 854 16.810 15.294 30.627 0.63 21.96 C ATOM 1326 OG1ATHR A 854 17.935 14.682 31.158 0.37 26.89 O ATOM 1327 OG1BTHR A 854 15.586 14.954 31.297 0.63 26.18 O ATOM 1328 CG2ATHR A 854 15.571 14.873 31.447 0.37 24.15 C ATOM 1329 CG2BTHR A 854 17.388 16.495 31.182 0.63 20.41 C ATOM 0 H ATHR A 854 15.351 16.931 29.301 0.37 20.10 H new ATOM 0 H BTHR A 854 15.359 16.921 29.313 0.63 20.10 H new ATOM 0 HA ATHR A 854 17.492 15.620 28.774 0.37 20.88 H new ATOM 0 HA BTHR A 854 17.450 15.680 28.665 0.63 20.88 H new ATOM 0 HB ATHR A 854 16.896 16.386 30.944 0.37 21.96 H new ATOM 0 HB BTHR A 854 17.435 14.569 30.782 0.63 21.96 H new ATOM 0 HG1ATHR A 854 17.998 14.723 31.995 0.37 26.18 H new ATOM 0 HG1BTHR A 854 15.091 15.632 31.338 0.63 26.18 H new ATOM 0 HG21ATHR A 854 15.713 14.919 32.406 0.37 20.41 H new ATOM 0 HG21BTHR A 854 17.483 16.395 32.142 0.63 20.41 H new ATOM 0 HG22ATHR A 854 14.782 15.387 31.212 0.37 20.41 H new ATOM 0 HG22BTHR A 854 18.260 16.648 30.785 0.63 20.41 H new ATOM 0 HG23ATHR A 854 15.444 13.948 31.183 0.37 20.41 H new ATOM 0 HG23BTHR A 854 16.810 17.250 30.992 0.63 20.41 H new ATOM 1330 N ARG A 855 14.918 13.726 28.598 1.00 21.59 N ATOM 1331 CA ARG A 855 14.462 12.419 28.180 1.00 22.73 C ATOM 1332 C ARG A 855 14.909 11.917 26.793 1.00 20.90 C ATOM 1333 O ARG A 855 15.105 10.673 26.585 1.00 20.18 O ATOM 1334 CB ARG A 855 12.923 12.347 28.292 1.00 28.65 C ATOM 1335 CG ARG A 855 12.227 11.077 27.843 1.00 39.04 C ATOM 1336 CD ARG A 855 10.835 10.945 28.493 1.00 48.06 C ATOM 1337 NE ARG A 855 10.091 9.728 28.086 1.00 51.33 N ATOM 1338 CZ ARG A 855 9.200 9.653 27.088 1.00 56.95 C ATOM 1339 NH1 ARG A 855 8.905 10.718 26.317 1.00 52.66 N ATOM 1340 NH2 ARG A 855 8.600 8.483 26.827 1.00 57.55 N ATOM 0 H ARG A 855 14.291 14.286 28.778 1.00 21.59 H new ATOM 0 HA ARG A 855 14.907 11.814 28.793 1.00 22.73 H new ATOM 0 HB2 ARG A 855 12.687 12.501 29.220 1.00 28.65 H new ATOM 0 HB3 ARG A 855 12.554 13.083 27.779 1.00 28.65 H new ATOM 0 HG2 ARG A 855 12.137 11.079 26.877 1.00 39.04 H new ATOM 0 HG3 ARG A 855 12.770 10.308 28.076 1.00 39.04 H new ATOM 0 HD2 ARG A 855 10.938 10.942 29.458 1.00 48.06 H new ATOM 0 HD3 ARG A 855 10.307 11.726 28.266 1.00 48.06 H new ATOM 0 HE ARG A 855 10.245 9.007 28.529 1.00 51.33 H new ATOM 0 HH11 ARG A 855 9.293 11.472 26.459 1.00 52.66 H new ATOM 0 HH12 ARG A 855 8.329 10.643 25.683 1.00 52.66 H new ATOM 0 HH21 ARG A 855 8.788 7.789 27.298 1.00 57.55 H new ATOM 0 HH22 ARG A 855 8.027 8.427 26.188 1.00 57.55 H new ATOM 1341 N LEU A 856 15.190 12.827 25.899 1.00 20.07 N ATOM 1342 CA LEU A 856 15.646 12.413 24.589 1.00 20.00 C ATOM 1343 C LEU A 856 17.012 11.691 24.721 1.00 18.42 C ATOM 1344 O LEU A 856 17.264 10.765 23.976 1.00 19.87 O ATOM 1345 CB LEU A 856 15.807 13.571 23.608 1.00 21.44 C ATOM 1346 CG LEU A 856 14.593 14.050 22.802 1.00 24.82 C ATOM 1347 CD1 LEU A 856 14.117 13.048 21.782 1.00 30.88 C ATOM 1348 CD2 LEU A 856 13.417 14.367 23.702 1.00 27.00 C ATOM 0 H LEU A 856 15.128 13.676 26.019 1.00 20.07 H new ATOM 0 HA LEU A 856 14.962 11.823 24.235 1.00 20.00 H new ATOM 0 HB2 LEU A 856 16.143 14.331 24.108 1.00 21.44 H new ATOM 0 HB3 LEU A 856 16.497 13.321 22.974 1.00 21.44 H new ATOM 0 HG LEU A 856 14.905 14.846 22.343 1.00 24.82 H new ATOM 0 HD11 LEU A 856 13.351 13.408 21.308 1.00 30.88 H new ATOM 0 HD12 LEU A 856 14.831 12.864 21.151 1.00 30.88 H new ATOM 0 HD13 LEU A 856 13.862 12.226 22.230 1.00 30.88 H new ATOM 0 HD21 LEU A 856 12.668 14.666 23.163 1.00 27.00 H new ATOM 0 HD22 LEU A 856 13.163 13.571 24.195 1.00 27.00 H new ATOM 0 HD23 LEU A 856 13.666 15.067 24.326 1.00 27.00 H new ATOM 1349 N GLY A 857 17.877 12.132 25.617 1.00 19.41 N ATOM 1350 CA GLY A 857 19.166 11.487 25.906 1.00 19.00 C ATOM 1351 C GLY A 857 18.981 10.110 26.477 1.00 20.68 C ATOM 1352 O GLY A 857 19.705 9.180 26.086 1.00 20.95 O ATOM 0 H GLY A 857 17.735 12.834 26.093 1.00 19.41 H new ATOM 0 HA2 GLY A 857 19.691 11.432 25.092 1.00 19.00 H new ATOM 0 HA3 GLY A 857 19.668 12.032 26.531 1.00 19.00 H new ATOM 1353 N ILE A 858 18.011 9.979 27.369 1.00 20.18 N ATOM 1354 CA ILE A 858 17.688 8.645 27.935 1.00 21.31 C ATOM 1355 C ILE A 858 17.208 7.688 26.845 1.00 22.67 C ATOM 1356 O ILE A 858 17.655 6.519 26.782 1.00 21.48 O ATOM 1357 CB ILE A 858 16.634 8.747 29.057 1.00 23.22 C ATOM 1358 CG1 ILE A 858 17.304 9.497 30.224 1.00 27.30 C ATOM 1359 CG2 ILE A 858 16.159 7.329 29.422 1.00 26.39 C ATOM 1360 CD1 ILE A 858 16.338 9.955 31.316 1.00 32.01 C ATOM 0 H ILE A 858 17.528 10.626 27.665 1.00 20.18 H new ATOM 0 HA ILE A 858 18.505 8.291 28.320 1.00 21.31 H new ATOM 0 HB ILE A 858 15.840 9.238 28.795 1.00 23.22 H new ATOM 0 HG12 ILE A 858 17.975 8.921 30.622 1.00 27.30 H new ATOM 0 HG13 ILE A 858 17.768 10.272 29.872 1.00 27.30 H new ATOM 0 HG21 ILE A 858 15.495 7.381 30.127 1.00 26.39 H new ATOM 0 HG22 ILE A 858 15.768 6.908 28.641 1.00 26.39 H new ATOM 0 HG23 ILE A 858 16.915 6.803 29.728 1.00 26.39 H new ATOM 0 HD11 ILE A 858 16.831 10.417 32.012 1.00 32.01 H new ATOM 0 HD12 ILE A 858 15.679 10.556 30.934 1.00 32.01 H new ATOM 0 HD13 ILE A 858 15.889 9.183 31.696 1.00 32.01 H new ATOM 1361 N GLN A 859 16.350 8.188 25.979 1.00 19.47 N ATOM 1362 CA GLN A 859 15.795 7.394 24.916 1.00 21.09 C ATOM 1363 C GLN A 859 16.839 6.918 23.901 1.00 18.67 C ATOM 1364 O GLN A 859 16.845 5.695 23.534 1.00 19.24 O ATOM 1365 CB GLN A 859 14.674 8.126 24.204 1.00 22.96 C ATOM 1366 CG GLN A 859 13.489 8.335 25.128 1.00 25.03 C ATOM 1367 CD GLN A 859 12.444 9.189 24.505 1.00 29.26 C ATOM 1368 OE1 GLN A 859 12.728 10.197 23.808 1.00 27.75 O ATOM 1369 NE2 GLN A 859 11.211 8.750 24.685 1.00 38.39 N ATOM 0 H GLN A 859 16.074 9.002 25.994 1.00 19.47 H new ATOM 0 HA GLN A 859 15.436 6.602 25.346 1.00 21.09 H new ATOM 0 HB2 GLN A 859 14.995 8.984 23.885 1.00 22.96 H new ATOM 0 HB3 GLN A 859 14.396 7.619 23.425 1.00 22.96 H new ATOM 0 HG2 GLN A 859 13.106 7.475 25.362 1.00 25.03 H new ATOM 0 HG3 GLN A 859 13.791 8.745 25.953 1.00 25.03 H new ATOM 0 HE21 GLN A 859 11.069 8.055 25.171 1.00 38.39 H new ATOM 0 HE22 GLN A 859 10.551 9.159 24.316 1.00 38.39 H new ATOM 1370 N VAL A 860 17.716 7.810 23.446 1.00 17.45 N ATOM 1371 CA VAL A 860 18.677 7.422 22.428 1.00 17.50 C ATOM 1372 C VAL A 860 19.796 6.574 23.090 1.00 17.12 C ATOM 1373 O VAL A 860 20.229 5.630 22.498 1.00 17.90 O ATOM 1374 CB VAL A 860 19.218 8.581 21.701 1.00 18.50 C ATOM 1375 CG1 VAL A 860 20.184 8.099 20.645 1.00 18.60 C ATOM 1376 CG2 VAL A 860 18.043 9.339 21.078 1.00 18.28 C ATOM 0 H VAL A 860 17.769 8.627 23.709 1.00 17.45 H new ATOM 0 HA VAL A 860 18.225 6.884 21.759 1.00 17.50 H new ATOM 0 HB VAL A 860 19.700 9.176 22.296 1.00 18.50 H new ATOM 0 HG11 VAL A 860 20.543 8.860 20.163 1.00 18.60 H new ATOM 0 HG12 VAL A 860 20.909 7.613 21.067 1.00 18.60 H new ATOM 0 HG13 VAL A 860 19.721 7.514 20.025 1.00 18.60 H new ATOM 0 HG21 VAL A 860 18.376 10.110 20.592 1.00 18.28 H new ATOM 0 HG22 VAL A 860 17.567 8.754 20.468 1.00 18.28 H new ATOM 0 HG23 VAL A 860 17.441 9.635 21.778 1.00 18.28 H new ATOM 1377 N GLN A 861 20.103 6.843 24.340 1.00 16.83 N ATOM 1378 CA GLN A 861 21.077 6.005 25.068 1.00 17.51 C ATOM 1379 C GLN A 861 20.562 4.581 25.189 1.00 16.84 C ATOM 1380 O GLN A 861 21.346 3.611 24.988 1.00 18.38 O ATOM 1381 CB GLN A 861 21.447 6.534 26.465 1.00 20.63 C ATOM 1382 CG GLN A 861 22.499 5.554 27.081 1.00 26.19 C ATOM 1383 CD GLN A 861 23.456 6.114 28.059 1.00 32.94 C ATOM 1384 OE1 GLN A 861 23.181 7.158 28.662 1.00 32.75 O ATOM 1385 NE2 GLN A 861 24.578 5.378 28.300 1.00 31.53 N ATOM 0 H GLN A 861 19.772 7.494 24.795 1.00 16.83 H new ATOM 0 HA GLN A 861 21.889 6.033 24.538 1.00 17.51 H new ATOM 0 HB2 GLN A 861 21.812 7.431 26.404 1.00 20.63 H new ATOM 0 HB3 GLN A 861 20.659 6.586 27.029 1.00 20.63 H new ATOM 0 HG2 GLN A 861 22.018 4.830 27.512 1.00 26.19 H new ATOM 0 HG3 GLN A 861 23.008 5.163 26.353 1.00 26.19 H new ATOM 0 HE21 GLN A 861 24.724 4.658 27.853 1.00 31.53 H new ATOM 0 HE22 GLN A 861 25.140 5.634 28.899 1.00 31.53 H new ATOM 1386 N ASP A 862 19.280 4.432 25.455 1.00 18.96 N ATOM 1387 CA AASP A 862 18.688 3.086 25.519 0.49 20.73 C ATOM 1388 CA BASP A 862 18.704 3.093 25.525 0.51 21.12 C ATOM 1389 C ASP A 862 18.841 2.318 24.209 1.00 22.04 C ATOM 1390 O ASP A 862 19.115 1.093 24.235 1.00 19.17 O ATOM 1391 CB AASP A 862 17.213 3.142 25.926 0.49 21.84 C ATOM 1392 CB BASP A 862 17.244 3.159 25.971 0.51 22.19 C ATOM 1393 CG AASP A 862 17.026 3.402 27.402 0.49 26.81 C ATOM 1394 CG BASP A 862 16.710 1.810 26.385 0.51 28.65 C ATOM 1395 OD1AASP A 862 18.007 3.379 28.175 0.49 26.57 O ATOM 1396 OD1BASP A 862 17.412 1.097 27.130 0.51 29.36 O ATOM 1397 OD2AASP A 862 15.856 3.678 27.802 0.49 35.44 O ATOM 1398 OD2BASP A 862 15.584 1.473 25.967 0.51 29.43 O ATOM 0 H AASP A 862 18.732 5.079 25.601 0.49 18.96 H new ATOM 0 H BASP A 862 18.729 5.077 25.597 0.51 18.96 H new ATOM 0 HA AASP A 862 19.182 2.606 26.201 0.49 21.12 H new ATOM 0 HA BASP A 862 19.213 2.601 26.188 0.51 21.12 H new ATOM 0 HB2AASP A 862 16.768 3.839 25.419 0.49 22.19 H new ATOM 0 HB2BASP A 862 17.162 3.778 26.713 0.51 22.19 H new ATOM 0 HB3AASP A 862 16.785 2.304 25.692 0.49 22.19 H new ATOM 0 HB3BASP A 862 16.702 3.511 25.247 0.51 22.19 H new ATOM 1399 N ILE A 863 18.660 2.971 23.050 1.00 17.95 N ATOM 1400 CA ILE A 863 18.879 2.361 21.740 1.00 19.04 C ATOM 1401 C ILE A 863 20.316 1.970 21.580 1.00 17.22 C ATOM 1402 O ILE A 863 20.660 0.817 21.181 1.00 18.30 O ATOM 1403 CB ILE A 863 18.508 3.355 20.543 1.00 21.13 C ATOM 1404 CG1 ILE A 863 17.023 3.709 20.620 1.00 23.79 C ATOM 1405 CG2 ILE A 863 18.907 2.790 19.208 1.00 23.41 C ATOM 1406 CD1 ILE A 863 16.108 2.555 20.523 1.00 30.45 C ATOM 0 H ILE A 863 18.403 3.791 23.009 1.00 17.95 H new ATOM 0 HA ILE A 863 18.301 1.583 21.699 1.00 19.04 H new ATOM 0 HB ILE A 863 19.016 4.176 20.639 1.00 21.13 H new ATOM 0 HG12 ILE A 863 16.856 4.169 21.457 1.00 23.79 H new ATOM 0 HG13 ILE A 863 16.814 4.333 19.907 1.00 23.79 H new ATOM 0 HG21 ILE A 863 18.668 3.416 18.507 1.00 23.41 H new ATOM 0 HG22 ILE A 863 19.865 2.639 19.194 1.00 23.41 H new ATOM 0 HG23 ILE A 863 18.445 1.950 19.061 1.00 23.41 H new ATOM 0 HD11 ILE A 863 15.190 2.864 20.580 1.00 30.45 H new ATOM 0 HD12 ILE A 863 16.245 2.104 19.675 1.00 30.45 H new ATOM 0 HD13 ILE A 863 16.287 1.938 21.250 1.00 30.45 H new ATOM 1407 N PHE A 864 21.238 2.846 21.953 1.00 16.64 N ATOM 1408 CA PHE A 864 22.687 2.499 21.899 1.00 16.18 C ATOM 1409 C PHE A 864 22.950 1.239 22.765 1.00 17.09 C ATOM 1410 O PHE A 864 23.621 0.360 22.311 1.00 16.74 O ATOM 1411 CB PHE A 864 23.562 3.690 22.409 1.00 17.88 C ATOM 1412 CG PHE A 864 25.002 3.386 22.556 1.00 16.17 C ATOM 1413 CD1 PHE A 864 25.788 3.163 21.469 1.00 17.56 C ATOM 1414 CD2 PHE A 864 25.509 3.132 23.821 1.00 17.36 C ATOM 1415 CE1 PHE A 864 27.099 2.857 21.630 1.00 18.45 C ATOM 1416 CE2 PHE A 864 26.847 2.775 24.008 1.00 17.89 C ATOM 1417 CZ PHE A 864 27.639 2.658 22.896 1.00 16.97 C ATOM 0 H PHE A 864 21.067 3.639 22.239 1.00 16.64 H new ATOM 0 HA PHE A 864 22.930 2.317 20.978 1.00 16.18 H new ATOM 0 HB2 PHE A 864 23.463 4.434 21.794 1.00 17.88 H new ATOM 0 HB3 PHE A 864 23.217 3.983 23.267 1.00 17.88 H new ATOM 0 HD1 PHE A 864 25.426 3.220 20.614 1.00 17.56 H new ATOM 0 HD2 PHE A 864 24.948 3.201 24.559 1.00 17.36 H new ATOM 0 HE1 PHE A 864 27.646 2.779 20.882 1.00 18.45 H new ATOM 0 HE2 PHE A 864 27.189 2.622 24.859 1.00 17.89 H new ATOM 0 HZ PHE A 864 28.540 2.445 22.988 1.00 16.97 H new ATOM 1418 N GLU A 865 22.514 1.270 24.003 1.00 16.86 N ATOM 1419 CA GLU A 865 22.873 0.185 24.942 1.00 18.96 C ATOM 1420 C GLU A 865 22.300 -1.183 24.547 1.00 18.18 C ATOM 1421 O GLU A 865 23.013 -2.213 24.640 1.00 18.57 O ATOM 1422 CB GLU A 865 22.511 0.530 26.342 1.00 20.21 C ATOM 1423 CG GLU A 865 23.256 1.711 26.933 1.00 22.17 C ATOM 1424 CD GLU A 865 24.739 1.581 27.134 1.00 25.53 C ATOM 1425 OE1 GLU A 865 25.317 0.438 27.138 1.00 24.27 O ATOM 1426 OE2 GLU A 865 25.419 2.622 27.383 1.00 23.02 O ATOM 0 H GLU A 865 22.017 1.890 24.333 1.00 16.86 H new ATOM 0 HA GLU A 865 23.838 0.102 24.886 1.00 18.96 H new ATOM 0 HB2 GLU A 865 21.560 0.716 26.378 1.00 20.21 H new ATOM 0 HB3 GLU A 865 22.669 -0.246 26.902 1.00 20.21 H new ATOM 0 HG2 GLU A 865 23.100 2.478 26.360 1.00 22.17 H new ATOM 0 HG3 GLU A 865 22.856 1.914 27.793 1.00 22.17 H new ATOM 1427 N LYS A 866 21.067 -1.204 24.113 1.00 18.11 N ATOM 1428 CA LYS A 866 20.407 -2.458 23.623 1.00 18.93 C ATOM 1429 C LYS A 866 21.177 -2.990 22.459 1.00 20.71 C ATOM 1430 O LYS A 866 21.440 -4.200 22.389 1.00 19.17 O ATOM 1431 CB LYS A 866 18.958 -2.211 23.198 1.00 21.47 C ATOM 1432 CG LYS A 866 17.995 -2.094 24.355 1.00 29.72 C ATOM 1433 CD LYS A 866 16.559 -1.908 23.823 1.00 33.51 C ATOM 1434 CE LYS A 866 15.602 -1.465 24.945 1.00 43.51 C ATOM 1435 NZ LYS A 866 15.000 -2.643 25.603 1.00 46.45 N ATOM 0 H LYS A 866 20.563 -0.508 24.082 1.00 18.11 H new ATOM 0 HA LYS A 866 20.398 -3.098 24.352 1.00 18.93 H new ATOM 0 HB2 LYS A 866 18.918 -1.397 22.672 1.00 21.47 H new ATOM 0 HB3 LYS A 866 18.671 -2.936 22.621 1.00 21.47 H new ATOM 0 HG2 LYS A 866 18.043 -2.889 24.909 1.00 29.72 H new ATOM 0 HG3 LYS A 866 18.241 -1.342 24.916 1.00 29.72 H new ATOM 0 HD2 LYS A 866 16.557 -1.247 23.113 1.00 33.51 H new ATOM 0 HD3 LYS A 866 16.245 -2.740 23.436 1.00 33.51 H new ATOM 0 HE2 LYS A 866 16.084 -0.933 25.598 1.00 43.51 H new ATOM 0 HE3 LYS A 866 14.904 -0.900 24.578 1.00 43.51 H new ATOM 0 HZ1 LYS A 866 14.450 -2.374 26.249 1.00 46.45 H new ATOM 0 HZ2 LYS A 866 14.544 -3.117 25.004 1.00 46.45 H new ATOM 0 HZ3 LYS A 866 15.643 -3.148 25.954 1.00 46.45 H new ATOM 1436 N ASN A 867 21.557 -2.135 21.493 1.00 17.98 N ATOM 1437 CA ASN A 867 22.299 -2.584 20.345 1.00 18.49 C ATOM 1438 C ASN A 867 23.731 -3.033 20.671 1.00 18.60 C ATOM 1439 O ASN A 867 24.265 -3.949 20.012 1.00 18.88 O ATOM 1440 CB ASN A 867 22.269 -1.559 19.173 1.00 19.28 C ATOM 1441 CG ASN A 867 20.933 -1.600 18.422 1.00 20.91 C ATOM 1442 OD1 ASN A 867 20.702 -2.471 17.587 1.00 23.69 O ATOM 1443 ND2 ASN A 867 20.003 -0.681 18.745 1.00 21.93 N ATOM 0 H ASN A 867 21.386 -1.292 21.500 1.00 17.98 H new ATOM 0 HA ASN A 867 21.833 -3.379 20.043 1.00 18.49 H new ATOM 0 HB2 ASN A 867 22.419 -0.666 19.520 1.00 19.28 H new ATOM 0 HB3 ASN A 867 22.993 -1.750 18.557 1.00 19.28 H new ATOM 0 HD21 ASN A 867 19.232 -0.698 18.365 1.00 21.93 H new ATOM 0 HD22 ASN A 867 20.180 -0.078 19.332 1.00 21.93 H new ATOM 1444 N PHE A 868 24.348 -2.324 21.629 1.00 17.44 N ATOM 1445 CA PHE A 868 25.701 -2.704 22.122 1.00 16.75 C ATOM 1446 C PHE A 868 25.627 -4.116 22.678 1.00 17.49 C ATOM 1447 O PHE A 868 26.444 -4.962 22.262 1.00 16.91 O ATOM 1448 CB PHE A 868 26.189 -1.711 23.165 1.00 17.44 C ATOM 1449 CG PHE A 868 27.508 -2.110 23.806 1.00 18.96 C ATOM 1450 CD1 PHE A 868 28.670 -2.130 23.096 1.00 17.75 C ATOM 1451 CD2 PHE A 868 27.473 -2.660 25.087 1.00 24.77 C ATOM 1452 CE1 PHE A 868 29.907 -2.504 23.703 1.00 18.75 C ATOM 1453 CE2 PHE A 868 28.644 -3.107 25.691 1.00 22.85 C ATOM 1454 CZ PHE A 868 29.864 -2.968 25.011 1.00 21.24 C ATOM 0 H PHE A 868 24.012 -1.628 22.006 1.00 17.44 H new ATOM 0 HA PHE A 868 26.343 -2.683 21.395 1.00 16.75 H new ATOM 0 HB2 PHE A 868 26.289 -0.840 22.751 1.00 17.44 H new ATOM 0 HB3 PHE A 868 25.515 -1.621 23.857 1.00 17.44 H new ATOM 0 HD1 PHE A 868 28.657 -1.895 22.196 1.00 17.75 H new ATOM 0 HD2 PHE A 868 26.663 -2.728 25.540 1.00 24.77 H new ATOM 0 HE1 PHE A 868 30.711 -2.439 23.240 1.00 18.75 H new ATOM 0 HE2 PHE A 868 28.619 -3.494 26.536 1.00 22.85 H new ATOM 0 HZ PHE A 868 30.657 -3.190 25.444 1.00 21.24 H new ATOM 1455 N ARG A 869 24.629 -4.404 23.509 1.00 17.39 N ATOM 1456 CA ARG A 869 24.509 -5.759 24.124 1.00 20.24 C ATOM 1457 C ARG A 869 24.266 -6.825 23.041 1.00 21.92 C ATOM 1458 O ARG A 869 24.850 -7.909 23.105 1.00 21.47 O ATOM 1459 CB ARG A 869 23.461 -5.770 25.176 1.00 20.03 C ATOM 1460 CG ARG A 869 23.847 -4.988 26.376 1.00 21.52 C ATOM 1461 CD ARG A 869 22.913 -5.122 27.554 1.00 21.09 C ATOM 1462 NE ARG A 869 21.541 -4.826 27.311 1.00 22.22 N ATOM 1463 CZ ARG A 869 20.980 -3.632 27.490 1.00 27.41 C ATOM 1464 NH1 ARG A 869 21.695 -2.573 27.908 1.00 27.28 N ATOM 1465 NH2 ARG A 869 19.701 -3.492 27.245 1.00 31.75 N ATOM 0 H ARG A 869 24.012 -3.849 23.737 1.00 17.39 H new ATOM 0 HA ARG A 869 25.347 -5.981 24.560 1.00 20.24 H new ATOM 0 HB2 ARG A 869 22.638 -5.410 24.811 1.00 20.03 H new ATOM 0 HB3 ARG A 869 23.279 -6.686 25.436 1.00 20.03 H new ATOM 0 HG2 ARG A 869 24.735 -5.263 26.652 1.00 21.52 H new ATOM 0 HG3 ARG A 869 23.903 -4.051 26.130 1.00 21.52 H new ATOM 0 HD2 ARG A 869 22.973 -6.031 27.888 1.00 21.09 H new ATOM 0 HD3 ARG A 869 23.229 -4.538 28.261 1.00 21.09 H new ATOM 0 HE ARG A 869 21.039 -5.464 27.028 1.00 22.22 H new ATOM 0 HH11 ARG A 869 22.536 -2.658 28.067 1.00 27.28 H new ATOM 0 HH12 ARG A 869 21.311 -1.811 28.017 1.00 27.28 H new ATOM 0 HH21 ARG A 869 19.239 -4.165 26.974 1.00 31.75 H new ATOM 0 HH22 ARG A 869 19.323 -2.727 27.356 1.00 31.75 H new ATOM 1466 N ASN A 870 23.464 -6.488 22.015 1.00 18.56 N ATOM 1467 CA ASN A 870 23.197 -7.438 20.922 1.00 21.84 C ATOM 1468 C ASN A 870 24.434 -7.663 20.043 1.00 23.10 C ATOM 1469 O ASN A 870 24.874 -8.807 19.798 1.00 22.27 O ATOM 1470 CB ASN A 870 21.990 -6.938 20.105 1.00 23.74 C ATOM 1471 CG ASN A 870 21.680 -7.856 18.920 1.00 31.33 C ATOM 1472 OD1 ASN A 870 22.030 -7.583 17.782 1.00 37.91 O ATOM 1473 ND2 ASN A 870 21.161 -9.008 19.224 1.00 32.21 N ATOM 0 H ASN A 870 23.072 -5.727 21.935 1.00 18.56 H new ATOM 0 HA ASN A 870 22.982 -8.304 21.302 1.00 21.84 H new ATOM 0 HB2 ASN A 870 21.212 -6.881 20.681 1.00 23.74 H new ATOM 0 HB3 ASN A 870 22.169 -6.042 19.781 1.00 23.74 H new ATOM 0 HD21 ASN A 870 21.055 -9.606 18.615 1.00 32.21 H new ATOM 0 HD22 ASN A 870 20.924 -9.172 20.034 1.00 32.21 H new ATOM 1474 N ILE A 871 25.039 -6.599 19.535 1.00 19.34 N ATOM 1475 CA ILE A 871 26.076 -6.722 18.544 1.00 19.45 C ATOM 1476 C ILE A 871 27.336 -7.384 19.144 1.00 20.94 C ATOM 1477 O ILE A 871 28.025 -8.209 18.457 1.00 22.16 O ATOM 1478 CB ILE A 871 26.391 -5.315 17.950 1.00 19.59 C ATOM 1479 CG1 ILE A 871 25.191 -4.892 17.099 1.00 21.13 C ATOM 1480 CG2 ILE A 871 27.650 -5.344 17.138 1.00 19.86 C ATOM 1481 CD1 ILE A 871 25.231 -3.398 16.760 1.00 23.76 C ATOM 0 H ILE A 871 24.855 -5.789 19.759 1.00 19.34 H new ATOM 0 HA ILE A 871 25.769 -7.298 17.827 1.00 19.45 H new ATOM 0 HB ILE A 871 26.536 -4.673 18.663 1.00 19.59 H new ATOM 0 HG12 ILE A 871 25.178 -5.409 16.279 1.00 21.13 H new ATOM 0 HG13 ILE A 871 24.370 -5.094 17.575 1.00 21.13 H new ATOM 0 HG21 ILE A 871 27.825 -4.460 16.780 1.00 19.86 H new ATOM 0 HG22 ILE A 871 28.392 -5.617 17.700 1.00 19.86 H new ATOM 0 HG23 ILE A 871 27.550 -5.974 16.407 1.00 19.86 H new ATOM 0 HD11 ILE A 871 24.458 -3.167 16.222 1.00 23.76 H new ATOM 0 HD12 ILE A 871 25.220 -2.880 17.580 1.00 23.76 H new ATOM 0 HD13 ILE A 871 26.041 -3.200 16.264 1.00 23.76 H new ATOM 1482 N PHE A 872 27.613 -7.058 20.399 1.00 18.82 N ATOM 1483 CA PHE A 872 28.851 -7.585 21.003 1.00 19.79 C ATOM 1484 C PHE A 872 28.502 -8.801 21.899 1.00 20.64 C ATOM 1485 O PHE A 872 29.378 -9.242 22.631 1.00 22.48 O ATOM 1486 CB PHE A 872 29.608 -6.527 21.771 1.00 20.94 C ATOM 1487 CG PHE A 872 30.277 -5.558 20.892 1.00 20.60 C ATOM 1488 CD1 PHE A 872 31.532 -5.790 20.407 1.00 22.62 C ATOM 1489 CD2 PHE A 872 29.637 -4.405 20.530 1.00 20.23 C ATOM 1490 CE1 PHE A 872 32.202 -4.877 19.597 1.00 22.37 C ATOM 1491 CE2 PHE A 872 30.304 -3.498 19.715 1.00 24.30 C ATOM 1492 CZ PHE A 872 31.536 -3.713 19.247 1.00 22.63 C ATOM 0 H PHE A 872 27.130 -6.558 20.905 1.00 18.82 H new ATOM 0 HA PHE A 872 29.444 -7.872 20.291 1.00 19.79 H new ATOM 0 HB2 PHE A 872 28.994 -6.057 22.357 1.00 20.94 H new ATOM 0 HB3 PHE A 872 30.269 -6.955 22.337 1.00 20.94 H new ATOM 0 HD1 PHE A 872 31.956 -6.588 20.626 1.00 22.62 H new ATOM 0 HD2 PHE A 872 28.772 -4.231 20.824 1.00 20.23 H new ATOM 0 HE1 PHE A 872 33.068 -5.043 19.301 1.00 22.37 H new ATOM 0 HE2 PHE A 872 29.873 -2.706 19.485 1.00 24.30 H new ATOM 0 HZ PHE A 872 31.943 -3.088 18.692 1.00 22.63 H new ATOM 1493 N ALA A 873 27.266 -9.289 21.821 1.00 19.83 N ATOM 1494 CA ALA A 873 26.863 -10.531 22.531 1.00 20.44 C ATOM 1495 C ALA A 873 27.239 -10.497 24.033 1.00 20.19 C ATOM 1496 O ALA A 873 27.895 -11.365 24.608 1.00 22.74 O ATOM 1497 CB ALA A 873 27.494 -11.678 21.774 1.00 22.27 C ATOM 0 H ALA A 873 26.636 -8.923 21.364 1.00 19.83 H new ATOM 0 HA ALA A 873 25.898 -10.634 22.540 1.00 20.44 H new ATOM 0 HB1 ALA A 873 27.259 -12.516 22.201 1.00 22.27 H new ATOM 0 HB2 ALA A 873 27.170 -11.680 20.860 1.00 22.27 H new ATOM 0 HB3 ALA A 873 28.458 -11.575 21.775 1.00 22.27 H new ATOM 1498 N ILE A 874 26.833 -9.422 24.693 1.00 19.42 N ATOM 1499 CA ILE A 874 27.081 -9.248 26.077 1.00 20.39 C ATOM 1500 C ILE A 874 26.179 -10.268 26.820 1.00 23.47 C ATOM 1501 O ILE A 874 25.001 -10.465 26.504 1.00 23.66 O ATOM 1502 CB ILE A 874 26.763 -7.822 26.545 1.00 21.98 C ATOM 1503 CG1 ILE A 874 27.667 -6.880 25.837 1.00 23.80 C ATOM 1504 CG2 ILE A 874 26.895 -7.720 28.056 1.00 26.06 C ATOM 1505 CD1 ILE A 874 29.111 -7.020 26.134 1.00 25.87 C ATOM 0 H ILE A 874 26.401 -8.774 24.329 1.00 19.42 H new ATOM 0 HA ILE A 874 28.021 -9.393 26.265 1.00 20.39 H new ATOM 0 HB ILE A 874 25.846 -7.590 26.329 1.00 21.98 H new ATOM 0 HG12 ILE A 874 27.539 -6.993 24.882 1.00 23.80 H new ATOM 0 HG13 ILE A 874 27.396 -5.974 26.055 1.00 23.80 H new ATOM 0 HG21 ILE A 874 26.692 -6.815 28.338 1.00 26.06 H new ATOM 0 HG22 ILE A 874 26.276 -8.337 28.477 1.00 26.06 H new ATOM 0 HG23 ILE A 874 27.802 -7.944 28.318 1.00 26.06 H new ATOM 0 HD11 ILE A 874 29.611 -6.363 25.625 1.00 25.87 H new ATOM 0 HD12 ILE A 874 29.262 -6.877 27.081 1.00 25.87 H new ATOM 0 HD13 ILE A 874 29.407 -7.911 25.891 1.00 25.87 H new ATOM 1506 N GLN A 875 26.741 -10.921 27.829 1.00 22.74 N ATOM 1507 CA GLN A 875 26.018 -11.932 28.652 1.00 25.04 C ATOM 1508 C GLN A 875 24.772 -11.357 29.267 1.00 24.50 C ATOM 1509 O GLN A 875 24.818 -10.348 29.946 1.00 25.39 O ATOM 1510 CB GLN A 875 26.946 -12.504 29.750 1.00 26.11 C ATOM 1511 CG GLN A 875 26.273 -13.497 30.786 1.00 28.42 C ATOM 1512 CD GLN A 875 25.649 -14.722 30.129 1.00 29.11 C ATOM 1513 OE1 GLN A 875 26.282 -15.405 29.328 1.00 27.87 O ATOM 1514 NE2 GLN A 875 24.400 -14.971 30.420 1.00 27.84 N ATOM 0 H GLN A 875 27.558 -10.801 28.070 1.00 22.74 H new ATOM 0 HA GLN A 875 25.751 -12.653 28.061 1.00 25.04 H new ATOM 0 HB2 GLN A 875 27.681 -12.966 29.318 1.00 26.11 H new ATOM 0 HB3 GLN A 875 27.329 -11.762 30.243 1.00 26.11 H new ATOM 0 HG2 GLN A 875 26.941 -13.787 31.427 1.00 28.42 H new ATOM 0 HG3 GLN A 875 25.590 -13.021 31.283 1.00 28.42 H new ATOM 0 HE21 GLN A 875 23.983 -14.475 30.985 1.00 27.84 H new ATOM 0 HE22 GLN A 875 23.995 -15.631 30.046 1.00 27.84 H new ATOM 1515 N GLU A 876 23.649 -12.002 29.047 1.00 24.96 N ATOM 1516 CA GLU A 876 22.412 -11.541 29.653 1.00 28.30 C ATOM 1517 C GLU A 876 22.417 -11.654 31.166 1.00 30.66 C ATOM 1518 O GLU A 876 22.938 -12.649 31.739 1.00 28.81 O ATOM 1519 CB GLU A 876 21.235 -12.305 29.082 1.00 34.36 C ATOM 1520 CG GLU A 876 20.915 -11.867 27.638 1.00 38.91 C ATOM 1521 CD GLU A 876 20.018 -10.608 27.568 1.00 44.48 C ATOM 1522 OE1 GLU A 876 18.876 -10.634 28.073 1.00 48.32 O ATOM 1523 OE2 GLU A 876 20.439 -9.595 26.980 1.00 48.42 O ATOM 0 H GLU A 876 23.575 -12.704 28.555 1.00 24.96 H new ATOM 0 HA GLU A 876 22.330 -10.598 29.439 1.00 28.30 H new ATOM 0 HB2 GLU A 876 21.428 -13.255 29.097 1.00 34.36 H new ATOM 0 HB3 GLU A 876 20.456 -12.165 29.643 1.00 34.36 H new ATOM 0 HG2 GLU A 876 21.745 -11.692 27.168 1.00 38.91 H new ATOM 0 HG3 GLU A 876 20.475 -12.597 27.175 1.00 38.91 H new ATOM 1524 N THR A 877 21.893 -10.610 31.823 1.00 35.03 N ATOM 1525 CA THR A 877 21.751 -10.625 33.329 1.00 45.77 C ATOM 1526 C THR A 877 20.396 -10.079 33.759 1.00 57.91 C ATOM 1527 O THR A 877 19.735 -9.376 32.986 1.00 55.63 O ATOM 1528 CB THR A 877 22.842 -9.792 34.063 1.00 46.32 C ATOM 1529 OG1 THR A 877 22.848 -8.461 33.560 1.00 50.85 O ATOM 1530 CG2 THR A 877 24.211 -10.366 33.860 1.00 48.67 C ATOM 0 H THR A 877 21.614 -9.890 31.444 1.00 35.03 H new ATOM 0 HA THR A 877 21.849 -11.557 33.578 1.00 45.77 H new ATOM 0 HB THR A 877 22.628 -9.809 35.009 1.00 46.32 H new ATOM 0 HG1 THR A 877 23.436 -8.013 33.959 1.00 50.85 H new ATOM 0 HG21 THR A 877 24.863 -9.823 34.330 1.00 48.67 H new ATOM 0 HG22 THR A 877 24.237 -11.272 34.205 1.00 48.67 H new ATOM 0 HG23 THR A 877 24.421 -10.375 32.913 1.00 48.67 H new ATOM 1531 N SER A 878 19.987 -10.410 34.985 1.00 75.80 N ATOM 1532 CA SER A 878 18.923 -9.651 35.694 1.00 79.90 C ATOM 1533 C SER A 878 19.524 -8.360 36.223 1.00 75.36 C ATOM 1534 O SER A 878 18.778 -7.486 36.681 1.00 91.07 O ATOM 1535 CB SER A 878 18.309 -10.452 36.860 1.00 82.08 C ATOM 1536 OG SER A 878 19.289 -11.243 37.530 1.00 80.25 O ATOM 0 H SER A 878 20.307 -11.070 35.433 1.00 75.80 H new ATOM 0 HA SER A 878 18.208 -9.470 35.064 1.00 79.90 H new ATOM 0 HB2 SER A 878 17.899 -9.841 37.492 1.00 82.08 H new ATOM 0 HB3 SER A 878 17.604 -11.027 36.522 1.00 82.08 H new ATOM 0 HG SER A 878 18.926 -11.665 38.159 1.00 80.25 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.788 40.708 40.702 1.00 63.36 N ATOM 1539 CA GLU B 700 -5.802 40.833 39.593 1.00 62.16 C ATOM 1540 C GLU B 700 -5.730 39.610 38.611 1.00 62.22 C ATOM 1541 O GLU B 700 -5.028 39.714 37.607 1.00 75.15 O ATOM 1542 CB GLU B 700 -4.418 41.159 40.171 1.00 56.55 C ATOM 0 HA GLU B 700 -6.122 41.561 39.038 1.00 62.16 H new ATOM 1543 N ASN B 701 -6.406 38.478 38.886 1.00 47.95 N ATOM 1544 CA ASN B 701 -6.558 37.393 37.867 1.00 48.65 C ATOM 1545 C ASN B 701 -8.005 37.096 37.440 1.00 51.73 C ATOM 1546 O ASN B 701 -8.910 37.224 38.254 1.00 50.49 O ATOM 1547 CB ASN B 701 -5.932 36.091 38.343 1.00 49.24 C ATOM 1548 CG ASN B 701 -4.409 36.133 38.301 1.00 55.76 C ATOM 1549 OD1 ASN B 701 -3.750 35.660 37.312 1.00 43.88 O ATOM 1550 ND2 ASN B 701 -3.824 36.685 39.369 1.00 52.76 N ATOM 0 H ASN B 701 -6.781 38.313 39.642 1.00 47.95 H new ATOM 0 HA ASN B 701 -6.094 37.744 37.091 1.00 48.65 H new ATOM 0 HB2 ASN B 701 -6.224 35.907 39.250 1.00 49.24 H new ATOM 0 HB3 ASN B 701 -6.249 35.361 37.789 1.00 49.24 H new ATOM 0 HD21 ASN B 701 -2.966 36.734 39.412 1.00 52.76 H new ATOM 0 HD22 ASN B 701 -4.305 36.991 40.013 1.00 52.76 H new ATOM 1551 N SER B 702 -8.213 36.706 36.167 1.00 37.53 N ATOM 1552 CA SER B 702 -9.492 36.227 35.682 1.00 35.97 C ATOM 1553 C SER B 702 -10.109 35.146 36.546 1.00 30.91 C ATOM 1554 O SER B 702 -9.411 34.296 37.093 1.00 32.49 O ATOM 1555 CB SER B 702 -9.341 35.698 34.246 1.00 35.97 C ATOM 1556 OG SER B 702 -10.600 35.298 33.719 1.00 36.56 O ATOM 0 H SER B 702 -7.599 36.718 35.565 1.00 37.53 H new ATOM 0 HA SER B 702 -10.092 36.988 35.712 1.00 35.97 H new ATOM 0 HB2 SER B 702 -8.954 36.386 33.683 1.00 35.97 H new ATOM 0 HB3 SER B 702 -8.728 34.946 34.237 1.00 35.97 H new ATOM 0 HG SER B 702 -10.498 35.014 32.935 1.00 36.56 H new ATOM 1557 N ASN B 703 -11.463 35.159 36.651 1.00 31.43 N ATOM 1558 CA ASN B 703 -12.178 34.045 37.314 1.00 30.90 C ATOM 1559 C ASN B 703 -12.728 33.004 36.361 1.00 28.19 C ATOM 1560 O ASN B 703 -13.534 32.146 36.711 1.00 30.39 O ATOM 1561 CB ASN B 703 -13.332 34.573 38.169 1.00 45.24 C ATOM 1562 CG ASN B 703 -14.338 35.310 37.341 1.00 53.29 C ATOM 1563 OD1 ASN B 703 -13.997 35.929 36.300 1.00 57.34 O ATOM 1564 ND2 ASN B 703 -15.589 35.317 37.818 1.00 70.08 N ATOM 0 H ASN B 703 -11.969 35.787 36.352 1.00 31.43 H new ATOM 0 HA ASN B 703 -11.506 33.611 37.863 1.00 30.90 H new ATOM 0 HB2 ASN B 703 -13.765 33.833 38.623 1.00 45.24 H new ATOM 0 HB3 ASN B 703 -12.983 35.162 38.856 1.00 45.24 H new ATOM 0 HD21 ASN B 703 -16.203 35.759 37.409 1.00 70.08 H new ATOM 0 HD22 ASN B 703 -15.779 34.880 38.534 1.00 70.08 H new ATOM 1565 N ILE B 704 -12.205 32.992 35.130 1.00 32.51 N ATOM 1566 CA ILE B 704 -12.562 31.887 34.206 1.00 30.95 C ATOM 1567 C ILE B 704 -11.270 31.421 33.483 1.00 27.02 C ATOM 1568 O ILE B 704 -10.393 32.209 33.286 1.00 27.86 O ATOM 1569 CB ILE B 704 -13.622 32.291 33.139 1.00 33.69 C ATOM 1570 CG1 ILE B 704 -13.223 33.536 32.380 1.00 37.08 C ATOM 1571 CG2 ILE B 704 -15.010 32.469 33.777 1.00 44.07 C ATOM 1572 CD1 ILE B 704 -14.189 33.888 31.249 1.00 41.81 C ATOM 0 H ILE B 704 -11.665 33.582 34.814 1.00 32.51 H new ATOM 0 HA ILE B 704 -12.957 31.178 34.738 1.00 30.95 H new ATOM 0 HB ILE B 704 -13.667 31.563 32.499 1.00 33.69 H new ATOM 0 HG12 ILE B 704 -13.172 34.282 32.998 1.00 37.08 H new ATOM 0 HG13 ILE B 704 -12.334 33.412 32.011 1.00 37.08 H new ATOM 0 HG21 ILE B 704 -15.651 32.720 33.093 1.00 44.07 H new ATOM 0 HG22 ILE B 704 -15.287 31.635 34.188 1.00 44.07 H new ATOM 0 HG23 ILE B 704 -14.969 33.164 34.452 1.00 44.07 H new ATOM 0 HD11 ILE B 704 -13.883 34.692 30.800 1.00 41.81 H new ATOM 0 HD12 ILE B 704 -14.223 33.156 30.613 1.00 41.81 H new ATOM 0 HD13 ILE B 704 -15.074 34.040 31.615 1.00 41.81 H new ATOM 1573 N CYS B 705 -11.290 30.152 33.127 1.00 24.91 N ATOM 1574 CA CYS B 705 -10.172 29.556 32.295 1.00 22.63 C ATOM 1575 C CYS B 705 -10.028 30.258 30.985 1.00 24.21 C ATOM 1576 O CYS B 705 -11.011 30.363 30.207 1.00 27.43 O ATOM 1577 CB CYS B 705 -10.479 28.138 32.109 1.00 21.64 C ATOM 1578 SG CYS B 705 -9.186 27.175 31.115 1.00 22.85 S ATOM 0 H CYS B 705 -11.916 29.600 33.336 1.00 24.91 H new ATOM 0 HA CYS B 705 -9.322 29.662 32.750 1.00 22.63 H new ATOM 0 HB2 CYS B 705 -10.575 27.723 32.980 1.00 21.64 H new ATOM 0 HB3 CYS B 705 -11.337 28.061 31.662 1.00 21.64 H new ATOM 1579 N GLU B 706 -8.788 30.623 30.651 1.00 23.27 N ATOM 1580 CA GLU B 706 -8.475 31.361 29.399 1.00 23.65 C ATOM 1581 C GLU B 706 -8.861 30.500 28.192 1.00 21.14 C ATOM 1582 O GLU B 706 -9.254 31.042 27.191 1.00 23.74 O ATOM 1583 CB GLU B 706 -6.984 31.642 29.317 1.00 25.74 C ATOM 1584 CG GLU B 706 -6.516 32.529 28.164 1.00 29.86 C ATOM 1585 CD GLU B 706 -6.796 34.018 28.391 1.00 31.76 C ATOM 1586 OE1 GLU B 706 -7.416 34.327 29.467 1.00 33.86 O ATOM 1587 OE2 GLU B 706 -6.340 34.818 27.513 1.00 33.56 O ATOM 0 H GLU B 706 -8.099 30.454 31.137 1.00 23.27 H new ATOM 0 HA GLU B 706 -8.970 32.195 29.399 1.00 23.65 H new ATOM 0 HB2 GLU B 706 -6.708 32.056 30.149 1.00 25.74 H new ATOM 0 HB3 GLU B 706 -6.519 30.793 29.254 1.00 25.74 H new ATOM 0 HG2 GLU B 706 -5.563 32.402 28.033 1.00 29.86 H new ATOM 0 HG3 GLU B 706 -6.955 32.245 27.347 1.00 29.86 H new ATOM 1588 N VAL B 707 -8.779 29.207 28.302 1.00 20.79 N ATOM 1589 CA VAL B 707 -8.953 28.320 27.163 1.00 22.49 C ATOM 1590 C VAL B 707 -10.429 27.922 26.913 1.00 23.31 C ATOM 1591 O VAL B 707 -10.953 28.140 25.791 1.00 24.24 O ATOM 1592 CB VAL B 707 -8.090 27.051 27.298 1.00 20.84 C ATOM 1593 CG1 VAL B 707 -8.219 26.112 26.058 1.00 24.83 C ATOM 1594 CG2 VAL B 707 -6.635 27.453 27.570 1.00 22.87 C ATOM 0 H VAL B 707 -8.619 28.801 29.043 1.00 20.79 H new ATOM 0 HA VAL B 707 -8.657 28.831 26.393 1.00 22.49 H new ATOM 0 HB VAL B 707 -8.417 26.534 28.051 1.00 20.84 H new ATOM 0 HG11 VAL B 707 -7.661 25.329 26.185 1.00 24.83 H new ATOM 0 HG12 VAL B 707 -9.143 25.837 25.955 1.00 24.83 H new ATOM 0 HG13 VAL B 707 -7.933 26.586 25.262 1.00 24.83 H new ATOM 0 HG21 VAL B 707 -6.089 26.656 27.655 1.00 22.87 H new ATOM 0 HG22 VAL B 707 -6.305 27.993 26.834 1.00 22.87 H new ATOM 0 HG23 VAL B 707 -6.589 27.965 28.392 1.00 22.87 H new ATOM 1595 N CYS B 708 -11.121 27.410 27.934 1.00 23.71 N ATOM 1596 CA CYS B 708 -12.497 26.898 27.809 1.00 24.17 C ATOM 1597 C CYS B 708 -13.563 27.860 28.343 1.00 26.54 C ATOM 1598 O CYS B 708 -14.735 27.542 28.165 1.00 28.26 O ATOM 1599 CB CYS B 708 -12.654 25.530 28.461 1.00 25.15 C ATOM 1600 SG CYS B 708 -12.606 25.575 30.307 1.00 25.14 S ATOM 0 H CYS B 708 -10.803 27.348 28.731 1.00 23.71 H new ATOM 0 HA CYS B 708 -12.647 26.812 26.854 1.00 24.17 H new ATOM 0 HB2 CYS B 708 -13.496 25.140 28.177 1.00 25.15 H new ATOM 0 HB3 CYS B 708 -11.949 24.946 28.142 1.00 25.15 H new ATOM 1601 N ASN B 709 -13.162 28.967 28.975 1.00 24.76 N ATOM 1602 CA ASN B 709 -14.052 30.020 29.532 1.00 27.86 C ATOM 1603 C ASN B 709 -14.981 29.539 30.639 1.00 31.28 C ATOM 1604 O ASN B 709 -16.012 30.173 30.861 1.00 34.35 O ATOM 1605 CB ASN B 709 -14.817 30.712 28.424 1.00 29.06 C ATOM 1606 CG ASN B 709 -13.918 31.199 27.338 1.00 38.00 C ATOM 1607 OD1 ASN B 709 -13.834 30.569 26.280 1.00 44.83 O ATOM 1608 ND2 ASN B 709 -13.151 32.221 27.616 1.00 36.88 N ATOM 0 H ASN B 709 -12.329 29.141 29.101 1.00 24.76 H new ATOM 0 HA ASN B 709 -13.466 30.662 29.962 1.00 27.86 H new ATOM 0 HB2 ASN B 709 -15.469 30.098 28.051 1.00 29.06 H new ATOM 0 HB3 ASN B 709 -15.311 31.461 28.793 1.00 29.06 H new ATOM 0 HD21 ASN B 709 -12.557 32.480 27.050 1.00 36.88 H new ATOM 0 HD22 ASN B 709 -13.240 32.635 28.365 1.00 36.88 H new ATOM 1609 N LYS B 710 -14.677 28.433 31.279 1.00 26.84 N ATOM 1610 CA LYS B 710 -15.459 27.900 32.409 1.00 29.09 C ATOM 1611 C LYS B 710 -14.744 28.241 33.742 1.00 35.48 C ATOM 1612 O LYS B 710 -13.533 28.498 33.834 1.00 31.63 O ATOM 1613 CB LYS B 710 -15.641 26.396 32.303 1.00 30.78 C ATOM 1614 CG LYS B 710 -16.382 25.927 31.058 1.00 36.43 C ATOM 1615 CD LYS B 710 -17.626 26.737 30.767 1.00 45.96 C ATOM 1616 CE LYS B 710 -18.434 26.152 29.599 1.00 59.81 C ATOM 1617 NZ LYS B 710 -19.849 26.655 29.540 1.00 61.44 N ATOM 0 H LYS B 710 -13.997 27.948 31.075 1.00 26.84 H new ATOM 0 HA LYS B 710 -16.337 28.312 32.386 1.00 29.09 H new ATOM 0 HB2 LYS B 710 -14.767 25.975 32.321 1.00 30.78 H new ATOM 0 HB3 LYS B 710 -16.122 26.085 33.086 1.00 30.78 H new ATOM 0 HG2 LYS B 710 -15.785 25.976 30.295 1.00 36.43 H new ATOM 0 HG3 LYS B 710 -16.628 24.995 31.166 1.00 36.43 H new ATOM 0 HD2 LYS B 710 -18.183 26.769 31.560 1.00 45.96 H new ATOM 0 HD3 LYS B 710 -17.375 27.651 30.560 1.00 45.96 H new ATOM 0 HE2 LYS B 710 -17.987 26.367 28.766 1.00 59.81 H new ATOM 0 HE3 LYS B 710 -18.445 25.185 29.674 1.00 59.81 H new ATOM 0 HZ1 LYS B 710 -20.267 26.284 28.847 1.00 61.44 H new ATOM 0 HZ2 LYS B 710 -20.273 26.439 30.292 1.00 61.44 H new ATOM 0 HZ3 LYS B 710 -19.846 27.540 29.445 1.00 61.44 H new ATOM 1618 N TRP B 711 -15.537 28.252 34.800 1.00 34.14 N ATOM 1619 CA TRP B 711 -15.099 28.661 36.120 1.00 34.16 C ATOM 1620 C TRP B 711 -14.606 27.393 36.777 1.00 28.66 C ATOM 1621 O TRP B 711 -14.809 26.265 36.327 1.00 31.51 O ATOM 1622 CB TRP B 711 -16.305 29.244 36.953 1.00 38.64 C ATOM 1623 CG TRP B 711 -17.012 28.181 37.753 1.00 47.14 C ATOM 1624 CD1 TRP B 711 -17.619 27.060 37.238 1.00 52.29 C ATOM 1625 CD2 TRP B 711 -17.143 28.081 39.200 1.00 45.15 C ATOM 1626 NE1 TRP B 711 -18.110 26.264 38.264 1.00 61.60 N ATOM 1627 CE2 TRP B 711 -17.846 26.857 39.473 1.00 53.35 C ATOM 1628 CE3 TRP B 711 -16.761 28.908 40.292 1.00 48.38 C ATOM 1629 CZ2 TRP B 711 -18.193 26.435 40.801 1.00 53.01 C ATOM 1630 CZ3 TRP B 711 -17.115 28.484 41.631 1.00 46.76 C ATOM 1631 CH2 TRP B 711 -17.812 27.253 41.858 1.00 44.71 C ATOM 0 H TRP B 711 -16.364 28.016 34.769 1.00 34.14 H new ATOM 0 HA TRP B 711 -14.419 29.351 36.072 1.00 34.16 H new ATOM 0 HB2 TRP B 711 -15.979 29.934 37.552 1.00 38.64 H new ATOM 0 HB3 TRP B 711 -16.937 29.667 36.351 1.00 38.64 H new ATOM 0 HD1 TRP B 711 -17.690 26.863 36.332 1.00 52.29 H new ATOM 0 HE1 TRP B 711 -18.517 25.514 38.158 1.00 61.60 H new ATOM 0 HE3 TRP B 711 -16.296 29.701 40.150 1.00 48.38 H new ATOM 0 HZ2 TRP B 711 -18.656 25.642 40.949 1.00 53.01 H new ATOM 0 HZ3 TRP B 711 -16.886 29.020 42.356 1.00 46.76 H new ATOM 0 HH2 TRP B 711 -18.013 26.997 42.729 1.00 44.71 H new ATOM 1632 N GLY B 712 -13.997 27.594 37.951 1.00 29.49 N ATOM 1633 CA GLY B 712 -13.690 26.498 38.813 1.00 28.33 C ATOM 1634 C GLY B 712 -12.351 25.806 38.682 1.00 32.95 C ATOM 1635 O GLY B 712 -11.913 25.555 37.579 1.00 29.91 O ATOM 0 H GLY B 712 -13.761 28.365 38.250 1.00 29.49 H new ATOM 0 HA2 GLY B 712 -13.766 26.815 39.726 1.00 28.33 H new ATOM 0 HA3 GLY B 712 -14.379 25.827 38.688 1.00 28.33 H new ATOM 1636 N ARG B 713 -11.752 25.427 39.810 1.00 30.90 N ATOM 1637 CA ARG B 713 -10.513 24.616 39.835 1.00 29.26 C ATOM 1638 C ARG B 713 -9.412 25.343 39.034 1.00 22.75 C ATOM 1639 O ARG B 713 -8.697 24.734 38.301 1.00 29.62 O ATOM 1640 CB ARG B 713 -10.855 23.219 39.376 1.00 30.69 C ATOM 1641 CG ARG B 713 -9.982 22.113 39.844 1.00 45.14 C ATOM 1642 CD ARG B 713 -10.432 20.740 39.382 1.00 49.90 C ATOM 1643 NE ARG B 713 -11.633 20.214 40.065 1.00 59.62 N ATOM 1644 CZ ARG B 713 -12.880 20.154 39.569 1.00 70.00 C ATOM 1645 NH1 ARG B 713 -13.858 19.635 40.317 1.00 68.00 N ATOM 1646 NH2 ARG B 713 -13.191 20.627 38.350 1.00 80.99 N ATOM 0 H ARG B 713 -12.048 25.630 40.591 1.00 30.90 H new ATOM 0 HA ARG B 713 -10.142 24.517 40.726 1.00 29.26 H new ATOM 0 HB2 ARG B 713 -11.762 23.025 39.658 1.00 30.69 H new ATOM 0 HB3 ARG B 713 -10.852 23.213 38.406 1.00 30.69 H new ATOM 0 HG2 ARG B 713 -9.078 22.271 39.529 1.00 45.14 H new ATOM 0 HG3 ARG B 713 -9.951 22.125 40.813 1.00 45.14 H new ATOM 0 HD2 ARG B 713 -10.608 20.776 38.429 1.00 49.90 H new ATOM 0 HD3 ARG B 713 -9.702 20.114 39.512 1.00 49.90 H new ATOM 0 HE ARG B 713 -11.522 19.915 40.864 1.00 59.62 H new ATOM 0 HH11 ARG B 713 -13.686 19.344 41.108 1.00 68.00 H new ATOM 0 HH12 ARG B 713 -14.659 19.592 40.008 1.00 68.00 H new ATOM 0 HH21 ARG B 713 -12.582 20.983 37.859 1.00 80.99 H new ATOM 0 HH22 ARG B 713 -13.999 20.573 38.061 1.00 80.99 H new ATOM 1647 N LEU B 714 -9.243 26.636 39.232 1.00 25.55 N ATOM 1648 CA LEU B 714 -8.367 27.420 38.457 1.00 21.43 C ATOM 1649 C LEU B 714 -6.971 27.689 39.066 1.00 29.27 C ATOM 1650 O LEU B 714 -6.819 27.931 40.274 1.00 26.15 O ATOM 1651 CB LEU B 714 -9.025 28.765 38.184 1.00 25.86 C ATOM 1652 CG LEU B 714 -10.285 28.799 37.357 1.00 25.32 C ATOM 1653 CD1 LEU B 714 -10.771 30.222 37.268 1.00 28.11 C ATOM 1654 CD2 LEU B 714 -9.976 28.260 35.886 1.00 25.31 C ATOM 0 H LEU B 714 -9.655 27.078 39.844 1.00 25.55 H new ATOM 0 HA LEU B 714 -8.208 26.896 37.656 1.00 21.43 H new ATOM 0 HB2 LEU B 714 -9.224 29.174 39.041 1.00 25.86 H new ATOM 0 HB3 LEU B 714 -8.370 29.330 37.745 1.00 25.86 H new ATOM 0 HG LEU B 714 -10.961 28.240 37.770 1.00 25.32 H new ATOM 0 HD11 LEU B 714 -11.582 30.254 36.737 1.00 28.11 H new ATOM 0 HD12 LEU B 714 -10.955 30.558 38.159 1.00 28.11 H new ATOM 0 HD13 LEU B 714 -10.090 30.771 36.850 1.00 28.11 H new ATOM 0 HD21 LEU B 714 -10.788 28.283 35.356 1.00 25.31 H new ATOM 0 HD22 LEU B 714 -9.303 28.821 35.470 1.00 25.31 H new ATOM 0 HD23 LEU B 714 -9.649 27.348 35.937 1.00 25.31 H new ATOM 1655 N PHE B 715 -5.957 27.739 38.208 1.00 28.39 N ATOM 1656 CA PHE B 715 -4.564 28.115 38.565 1.00 26.43 C ATOM 1657 C PHE B 715 -4.312 29.449 37.941 1.00 27.95 C ATOM 1658 O PHE B 715 -4.559 29.619 36.745 1.00 27.88 O ATOM 1659 CB PHE B 715 -3.624 27.100 37.988 1.00 27.21 C ATOM 1660 CG PHE B 715 -3.696 25.733 38.616 1.00 25.21 C ATOM 1661 CD1 PHE B 715 -4.612 24.787 38.181 1.00 29.72 C ATOM 1662 CD2 PHE B 715 -2.815 25.365 39.615 1.00 30.20 C ATOM 1663 CE1 PHE B 715 -4.693 23.535 38.755 1.00 30.42 C ATOM 1664 CE2 PHE B 715 -2.849 24.113 40.178 1.00 26.11 C ATOM 1665 CZ PHE B 715 -3.774 23.184 39.775 1.00 32.25 C ATOM 0 H PHE B 715 -6.050 27.552 37.374 1.00 28.39 H new ATOM 0 HA PHE B 715 -4.434 28.149 39.526 1.00 26.43 H new ATOM 0 HB2 PHE B 715 -3.805 27.015 37.039 1.00 27.21 H new ATOM 0 HB3 PHE B 715 -2.717 27.433 38.075 1.00 27.21 H new ATOM 0 HD1 PHE B 715 -5.188 25.002 37.483 1.00 29.72 H new ATOM 0 HD2 PHE B 715 -2.184 25.980 39.913 1.00 30.20 H new ATOM 0 HE1 PHE B 715 -5.342 22.930 38.476 1.00 30.42 H new ATOM 0 HE2 PHE B 715 -2.236 23.892 40.842 1.00 26.11 H new ATOM 0 HZ PHE B 715 -3.798 22.340 40.164 1.00 32.25 H new ATOM 1666 N CYS B 716 -3.860 30.418 38.716 1.00 25.37 N ATOM 1667 CA ACYS B 716 -3.620 31.757 38.210 0.64 29.45 C ATOM 1668 CA BCYS B 716 -3.604 31.780 38.253 0.36 29.47 C ATOM 1669 C CYS B 716 -2.158 31.864 37.838 1.00 27.46 C ATOM 1670 O CYS B 716 -1.298 31.320 38.526 1.00 33.37 O ATOM 1671 CB ACYS B 716 -4.023 32.816 39.243 0.64 34.71 C ATOM 1672 CB BCYS B 716 -3.865 32.818 39.367 0.36 33.54 C ATOM 1673 SG ACYS B 716 -5.739 32.615 39.782 0.64 40.12 S ATOM 1674 SG BCYS B 716 -2.577 32.967 40.651 0.36 40.13 S ATOM 0 H ACYS B 716 -3.683 30.319 39.552 0.64 25.37 H new ATOM 0 H BCYS B 716 -3.687 30.304 39.551 0.36 25.37 H new ATOM 0 HA ACYS B 716 -4.165 31.920 37.424 0.64 29.47 H new ATOM 0 HA BCYS B 716 -4.200 31.978 37.514 0.36 29.47 H new ATOM 0 HB2ACYS B 716 -3.434 32.758 40.012 0.64 33.54 H new ATOM 0 HB2BCYS B 716 -3.983 33.687 38.952 0.36 33.54 H new ATOM 0 HB3ACYS B 716 -3.906 33.700 38.862 0.64 33.54 H new ATOM 0 HB3BCYS B 716 -4.703 32.595 39.801 0.36 33.54 H new ATOM 0 HG ACYS B 716 -6.470 32.715 38.836 0.64 40.13 H new ATOM 0 HG BCYS B 716 -1.593 32.376 40.302 0.36 40.13 H new ATOM 1675 N CYS B 717 -1.896 32.594 36.771 1.00 26.51 N ATOM 1676 CA CYS B 717 -0.563 32.916 36.398 1.00 26.13 C ATOM 1677 C CYS B 717 -0.020 33.991 37.413 1.00 34.13 C ATOM 1678 O CYS B 717 -0.767 34.912 37.808 1.00 33.81 O ATOM 1679 CB CYS B 717 -0.551 33.471 34.979 1.00 24.96 C ATOM 1680 SG CYS B 717 1.127 33.937 34.338 1.00 27.74 S ATOM 0 H CYS B 717 -2.499 32.913 36.247 1.00 26.51 H new ATOM 0 HA CYS B 717 0.000 32.127 36.421 1.00 26.13 H new ATOM 0 HB2 CYS B 717 -0.938 32.810 34.384 1.00 24.96 H new ATOM 0 HB3 CYS B 717 -1.124 34.253 34.946 1.00 24.96 H new ATOM 1681 N ASP B 718 1.266 33.929 37.750 1.00 33.86 N ATOM 1682 CA ASP B 718 1.870 35.003 38.581 1.00 34.69 C ATOM 1683 C ASP B 718 2.345 36.225 37.832 1.00 37.62 C ATOM 1684 O ASP B 718 2.620 37.248 38.471 1.00 40.80 O ATOM 1685 CB ASP B 718 2.971 34.410 39.452 1.00 40.70 C ATOM 1686 CG ASP B 718 2.412 33.418 40.498 1.00 48.14 C ATOM 1687 OD1 ASP B 718 1.447 33.826 41.187 1.00 51.12 O ATOM 1688 OD2 ASP B 718 2.883 32.257 40.652 1.00 49.50 O ATOM 0 H ASP B 718 1.803 33.297 37.521 1.00 33.86 H new ATOM 0 HA ASP B 718 1.151 35.348 39.133 1.00 34.69 H new ATOM 0 HB2 ASP B 718 3.617 33.955 38.890 1.00 40.70 H new ATOM 0 HB3 ASP B 718 3.443 35.125 39.906 1.00 40.70 H new ATOM 1689 N THR B 719 2.407 36.208 36.505 1.00 33.12 N ATOM 1690 CA THR B 719 2.947 37.337 35.743 1.00 32.59 C ATOM 1691 C THR B 719 1.993 38.002 34.803 1.00 32.95 C ATOM 1692 O THR B 719 2.359 38.934 34.129 1.00 33.16 O ATOM 1693 CB THR B 719 4.260 36.894 35.041 1.00 37.33 C ATOM 1694 OG1 THR B 719 4.090 35.594 34.462 1.00 32.95 O ATOM 1695 CG2 THR B 719 5.398 36.753 36.076 1.00 37.85 C ATOM 0 H THR B 719 2.140 35.549 36.021 1.00 33.12 H new ATOM 0 HA THR B 719 3.132 38.039 36.387 1.00 32.59 H new ATOM 0 HB THR B 719 4.472 37.561 34.370 1.00 37.33 H new ATOM 0 HG1 THR B 719 3.718 35.667 33.713 1.00 32.95 H new ATOM 0 HG21 THR B 719 6.212 36.476 35.627 1.00 37.85 H new ATOM 0 HG22 THR B 719 5.545 37.606 36.514 1.00 37.85 H new ATOM 0 HG23 THR B 719 5.153 36.088 36.738 1.00 37.85 H new ATOM 1696 N CYS B 720 0.756 37.495 34.721 1.00 36.29 N ATOM 1697 CA CYS B 720 -0.288 38.103 33.939 1.00 33.65 C ATOM 1698 C CYS B 720 -1.657 37.752 34.578 1.00 34.03 C ATOM 1699 O CYS B 720 -1.706 36.906 35.490 1.00 30.27 O ATOM 1700 CB CYS B 720 -0.206 37.687 32.478 1.00 35.15 C ATOM 1701 SG CYS B 720 -0.996 36.039 32.157 1.00 28.83 S ATOM 0 H CYS B 720 0.512 36.778 35.129 1.00 36.29 H new ATOM 0 HA CYS B 720 -0.180 39.067 33.944 1.00 33.65 H new ATOM 0 HB2 CYS B 720 -0.637 38.361 31.929 1.00 35.15 H new ATOM 0 HB3 CYS B 720 0.725 37.654 32.207 1.00 35.15 H new ATOM 1702 N PRO B 721 -2.760 38.384 34.086 1.00 31.48 N ATOM 1703 CA PRO B 721 -4.043 38.131 34.741 1.00 37.75 C ATOM 1704 C PRO B 721 -4.761 36.818 34.376 1.00 34.05 C ATOM 1705 O PRO B 721 -5.781 36.488 34.945 1.00 33.51 O ATOM 1706 CB PRO B 721 -4.887 39.325 34.334 1.00 39.67 C ATOM 1707 CG PRO B 721 -4.253 39.919 33.112 1.00 45.34 C ATOM 1708 CD PRO B 721 -2.849 39.413 33.018 1.00 38.28 C ATOM 0 HA PRO B 721 -3.898 38.024 35.694 1.00 37.75 H new ATOM 0 HB2 PRO B 721 -5.799 39.052 34.148 1.00 39.67 H new ATOM 0 HB3 PRO B 721 -4.926 39.977 35.051 1.00 39.67 H new ATOM 0 HG2 PRO B 721 -4.754 39.674 32.318 1.00 45.34 H new ATOM 0 HG3 PRO B 721 -4.260 40.888 33.164 1.00 45.34 H new ATOM 0 HD2 PRO B 721 -2.667 39.033 32.144 1.00 38.28 H new ATOM 0 HD3 PRO B 721 -2.205 40.125 33.158 1.00 38.28 H new ATOM 1709 N ARG B 722 -4.177 36.009 33.496 1.00 30.18 N ATOM 1710 CA ARG B 722 -4.839 34.778 33.063 1.00 28.59 C ATOM 1711 C ARG B 722 -4.927 33.684 34.084 1.00 25.28 C ATOM 1712 O ARG B 722 -4.105 33.546 34.994 1.00 29.94 O ATOM 1713 CB ARG B 722 -4.121 34.280 31.810 1.00 26.57 C ATOM 1714 CG ARG B 722 -4.191 35.193 30.661 1.00 26.55 C ATOM 1715 CD ARG B 722 -3.402 34.663 29.475 1.00 25.53 C ATOM 1716 NE ARG B 722 -3.408 35.484 28.319 1.00 27.01 N ATOM 1717 CZ ARG B 722 -2.513 36.430 28.091 1.00 27.02 C ATOM 1718 NH1 ARG B 722 -1.557 36.678 28.968 1.00 29.90 N ATOM 1719 NH2 ARG B 722 -2.578 37.113 26.978 1.00 29.98 N ATOM 0 H ARG B 722 -3.407 36.151 33.140 1.00 30.18 H new ATOM 0 HA ARG B 722 -5.766 35.008 32.895 1.00 28.59 H new ATOM 0 HB2 ARG B 722 -3.189 34.123 32.027 1.00 26.57 H new ATOM 0 HB3 ARG B 722 -4.500 33.425 31.552 1.00 26.57 H new ATOM 0 HG2 ARG B 722 -5.118 35.319 30.403 1.00 26.55 H new ATOM 0 HG3 ARG B 722 -3.846 36.063 30.917 1.00 26.55 H new ATOM 0 HD2 ARG B 722 -2.482 34.530 29.753 1.00 25.53 H new ATOM 0 HD3 ARG B 722 -3.755 33.792 29.235 1.00 25.53 H new ATOM 0 HE ARG B 722 -4.027 35.360 27.735 1.00 27.01 H new ATOM 0 HH11 ARG B 722 -1.512 36.222 29.696 1.00 29.90 H new ATOM 0 HH12 ARG B 722 -0.979 37.295 28.811 1.00 29.90 H new ATOM 0 HH21 ARG B 722 -3.197 36.944 26.406 1.00 29.98 H new ATOM 0 HH22 ARG B 722 -2.002 37.731 26.818 1.00 29.98 H new ATOM 1720 N SER B 723 -5.946 32.862 33.963 1.00 23.38 N ATOM 1721 CA SER B 723 -6.150 31.719 34.766 1.00 21.84 C ATOM 1722 C SER B 723 -6.453 30.467 33.873 1.00 22.90 C ATOM 1723 O SER B 723 -6.909 30.657 32.733 1.00 25.54 O ATOM 1724 CB SER B 723 -7.343 31.925 35.802 1.00 30.09 C ATOM 1725 OG SER B 723 -7.023 33.007 36.713 1.00 31.25 O ATOM 0 H SER B 723 -6.563 32.974 33.374 1.00 23.38 H new ATOM 0 HA SER B 723 -5.332 31.575 35.267 1.00 21.84 H new ATOM 0 HB2 SER B 723 -8.165 32.124 35.326 1.00 30.09 H new ATOM 0 HB3 SER B 723 -7.495 31.106 36.300 1.00 30.09 H new ATOM 0 HG SER B 723 -7.717 33.451 36.875 1.00 31.25 H new ATOM 1726 N PHE B 724 -6.212 29.276 34.414 1.00 20.62 N ATOM 1727 CA PHE B 724 -6.285 28.002 33.665 1.00 21.35 C ATOM 1728 C PHE B 724 -6.688 26.889 34.453 1.00 21.79 C ATOM 1729 O PHE B 724 -6.242 26.719 35.578 1.00 22.61 O ATOM 1730 CB PHE B 724 -4.872 27.659 33.018 1.00 20.94 C ATOM 1731 CG PHE B 724 -4.312 28.706 32.121 1.00 20.79 C ATOM 1732 CD1 PHE B 724 -3.480 29.765 32.646 1.00 21.36 C ATOM 1733 CD2 PHE B 724 -4.549 28.680 30.711 1.00 21.28 C ATOM 1734 CE1 PHE B 724 -3.016 30.762 31.798 1.00 19.96 C ATOM 1735 CE2 PHE B 724 -4.009 29.623 29.858 1.00 19.76 C ATOM 1736 CZ PHE B 724 -3.263 30.676 30.398 1.00 20.66 C ATOM 0 H PHE B 724 -5.997 29.174 35.240 1.00 20.62 H new ATOM 0 HA PHE B 724 -6.963 28.144 32.987 1.00 21.35 H new ATOM 0 HB2 PHE B 724 -4.237 27.493 33.733 1.00 20.94 H new ATOM 0 HB3 PHE B 724 -4.955 26.834 32.515 1.00 20.94 H new ATOM 0 HD1 PHE B 724 -3.256 29.779 33.549 1.00 21.36 H new ATOM 0 HD2 PHE B 724 -5.084 28.007 30.357 1.00 21.28 H new ATOM 0 HE1 PHE B 724 -2.544 31.485 32.144 1.00 19.96 H new ATOM 0 HE2 PHE B 724 -4.139 29.559 28.939 1.00 19.76 H new ATOM 0 HZ PHE B 724 -2.922 31.331 29.833 1.00 20.66 H new ATOM 1737 N HIS B 725 -7.493 26.000 33.882 1.00 21.76 N ATOM 1738 CA HIS B 725 -7.561 24.650 34.317 1.00 20.31 C ATOM 1739 C HIS B 725 -6.242 23.872 34.148 1.00 24.72 C ATOM 1740 O HIS B 725 -5.466 24.124 33.180 1.00 23.55 O ATOM 1741 CB HIS B 725 -8.684 23.836 33.679 1.00 23.77 C ATOM 1742 CG HIS B 725 -10.046 24.368 34.000 1.00 26.71 C ATOM 1743 ND1 HIS B 725 -10.868 24.943 33.067 1.00 26.72 N ATOM 1744 CD2 HIS B 725 -10.623 24.632 35.214 1.00 25.58 C ATOM 1745 CE1 HIS B 725 -11.957 25.419 33.646 1.00 30.32 C ATOM 1746 NE2 HIS B 725 -11.820 25.251 34.958 1.00 25.96 N ATOM 0 H HIS B 725 -8.015 26.184 33.224 1.00 21.76 H new ATOM 0 HA HIS B 725 -7.752 24.749 35.263 1.00 20.31 H new ATOM 0 HB2 HIS B 725 -8.564 23.827 32.716 1.00 23.77 H new ATOM 0 HB3 HIS B 725 -8.622 22.916 33.981 1.00 23.77 H new ATOM 0 HD2 HIS B 725 -10.271 24.430 36.051 1.00 25.58 H new ATOM 0 HE1 HIS B 725 -12.686 25.802 33.214 1.00 30.32 H new ATOM 0 HE2 HIS B 725 -12.392 25.493 35.553 1.00 25.96 H new ATOM 1747 N GLU B 726 -6.000 22.921 35.052 1.00 24.38 N ATOM 1748 CA GLU B 726 -4.721 22.159 35.037 1.00 25.73 C ATOM 1749 C GLU B 726 -4.377 21.594 33.622 1.00 25.20 C ATOM 1750 O GLU B 726 -3.239 21.741 33.157 1.00 24.42 O ATOM 1751 CB GLU B 726 -4.772 20.991 36.027 1.00 28.41 C ATOM 1752 CG GLU B 726 -3.464 20.238 36.161 1.00 30.48 C ATOM 1753 CD GLU B 726 -3.509 19.168 37.270 1.00 42.18 C ATOM 1754 OE1 GLU B 726 -4.507 19.123 38.025 1.00 41.68 O ATOM 1755 OE2 GLU B 726 -2.544 18.370 37.379 1.00 42.10 O ATOM 0 H GLU B 726 -6.546 22.696 35.677 1.00 24.38 H new ATOM 0 HA GLU B 726 -4.030 22.789 35.294 1.00 25.73 H new ATOM 0 HB2 GLU B 726 -5.030 21.329 36.899 1.00 28.41 H new ATOM 0 HB3 GLU B 726 -5.464 20.372 35.747 1.00 28.41 H new ATOM 0 HG2 GLU B 726 -3.250 19.814 35.315 1.00 30.48 H new ATOM 0 HG3 GLU B 726 -2.750 20.867 36.351 1.00 30.48 H new ATOM 1756 N HIS B 727 -5.341 20.938 32.987 1.00 23.80 N ATOM 1757 CA HIS B 727 -5.176 20.317 31.720 1.00 26.15 C ATOM 1758 C HIS B 727 -5.711 21.062 30.515 1.00 23.08 C ATOM 1759 O HIS B 727 -5.642 20.551 29.379 1.00 23.60 O ATOM 1760 CB HIS B 727 -5.769 18.939 31.777 1.00 28.15 C ATOM 1761 CG HIS B 727 -5.197 18.111 32.880 1.00 32.94 C ATOM 1762 ND1 HIS B 727 -3.877 17.690 32.898 1.00 36.02 N ATOM 1763 CD2 HIS B 727 -5.774 17.587 33.985 1.00 36.85 C ATOM 1764 CE1 HIS B 727 -3.668 16.955 33.983 1.00 39.38 C ATOM 1765 NE2 HIS B 727 -4.801 16.880 34.661 1.00 39.24 N ATOM 0 H HIS B 727 -6.133 20.849 33.309 1.00 23.80 H new ATOM 0 HA HIS B 727 -4.218 20.305 31.571 1.00 26.15 H new ATOM 0 HB2 HIS B 727 -6.729 19.009 31.895 1.00 28.15 H new ATOM 0 HB3 HIS B 727 -5.619 18.491 30.930 1.00 28.15 H new ATOM 0 HD2 HIS B 727 -6.662 17.685 34.242 1.00 36.85 H new ATOM 0 HE1 HIS B 727 -2.862 16.560 34.225 1.00 39.38 H new ATOM 0 HE2 HIS B 727 -4.913 16.459 35.403 1.00 39.24 H new ATOM 1766 N CYS B 728 -6.203 22.258 30.737 1.00 19.95 N ATOM 1767 CA CYS B 728 -6.480 23.220 29.674 1.00 21.52 C ATOM 1768 C CYS B 728 -5.195 23.917 29.252 1.00 20.21 C ATOM 1769 O CYS B 728 -4.953 24.130 28.047 1.00 19.74 O ATOM 1770 CB CYS B 728 -7.537 24.284 30.000 1.00 22.23 C ATOM 1771 SG CYS B 728 -9.223 23.595 29.948 1.00 23.65 S ATOM 0 H CYS B 728 -6.393 22.549 31.524 1.00 19.95 H new ATOM 0 HA CYS B 728 -6.854 22.686 28.956 1.00 21.52 H new ATOM 0 HB2 CYS B 728 -7.365 24.653 30.880 1.00 22.23 H new ATOM 0 HB3 CYS B 728 -7.466 25.016 29.367 1.00 22.23 H new ATOM 1772 N HIS B 729 -4.353 24.254 30.211 1.00 19.13 N ATOM 1773 CA HIS B 729 -3.037 24.782 29.888 1.00 19.65 C ATOM 1774 C HIS B 729 -2.232 23.655 29.189 1.00 18.18 C ATOM 1775 O HIS B 729 -2.431 22.490 29.518 1.00 20.67 O ATOM 1776 CB HIS B 729 -2.299 25.240 31.189 1.00 19.38 C ATOM 1777 CG HIS B 729 -1.121 26.132 30.930 1.00 19.06 C ATOM 1778 ND1 HIS B 729 0.174 25.645 30.768 1.00 20.61 N ATOM 1779 CD2 HIS B 729 -1.046 27.441 30.708 1.00 19.98 C ATOM 1780 CE1 HIS B 729 1.002 26.641 30.547 1.00 21.76 C ATOM 1781 NE2 HIS B 729 0.283 27.736 30.480 1.00 23.25 N ATOM 0 H HIS B 729 -4.520 24.186 31.052 1.00 19.13 H new ATOM 0 HA HIS B 729 -3.120 25.553 29.305 1.00 19.65 H new ATOM 0 HB2 HIS B 729 -2.928 25.706 31.761 1.00 19.38 H new ATOM 0 HB3 HIS B 729 -2.000 24.456 31.675 1.00 19.38 H new ATOM 0 HD1 HIS B 729 0.398 24.816 30.807 1.00 20.61 H new ATOM 0 HD2 HIS B 729 -1.755 28.043 30.707 1.00 19.98 H new ATOM 0 HE1 HIS B 729 1.926 26.581 30.455 1.00 21.76 H new ATOM 1782 N ILE B 730 -1.341 24.053 28.291 1.00 18.86 N ATOM 1783 CA ILE B 730 -0.393 23.167 27.612 1.00 19.14 C ATOM 1784 C ILE B 730 0.993 23.768 27.740 1.00 21.03 C ATOM 1785 O ILE B 730 1.163 24.921 27.410 1.00 22.26 O ATOM 1786 CB ILE B 730 -0.786 22.977 26.136 1.00 17.98 C ATOM 1787 CG1 ILE B 730 -2.223 22.587 25.948 1.00 21.34 C ATOM 1788 CG2 ILE B 730 0.076 21.845 25.503 1.00 19.68 C ATOM 1789 CD1 ILE B 730 -2.692 22.364 24.468 1.00 19.99 C ATOM 0 H ILE B 730 -1.266 24.875 28.049 1.00 18.86 H new ATOM 0 HA ILE B 730 -0.405 22.289 28.023 1.00 19.14 H new ATOM 0 HB ILE B 730 -0.638 23.836 25.711 1.00 17.98 H new ATOM 0 HG12 ILE B 730 -2.385 21.770 26.445 1.00 21.34 H new ATOM 0 HG13 ILE B 730 -2.780 23.275 26.344 1.00 21.34 H new ATOM 0 HG21 ILE B 730 -0.175 21.729 24.573 1.00 19.68 H new ATOM 0 HG22 ILE B 730 1.015 22.084 25.557 1.00 19.68 H new ATOM 0 HG23 ILE B 730 -0.074 21.016 25.984 1.00 19.68 H new ATOM 0 HD11 ILE B 730 -3.630 22.117 24.459 1.00 19.99 H new ATOM 0 HD12 ILE B 730 -2.569 23.183 23.962 1.00 19.99 H new ATOM 0 HD13 ILE B 730 -2.168 21.654 24.066 1.00 19.99 H new ATOM 1790 N PRO B 731 1.985 22.985 28.217 1.00 22.27 N ATOM 1791 CA PRO B 731 1.797 21.732 28.951 1.00 23.94 C ATOM 1792 C PRO B 731 0.933 21.867 30.237 1.00 23.72 C ATOM 1793 O PRO B 731 0.698 23.001 30.686 1.00 24.93 O ATOM 1794 CB PRO B 731 3.228 21.349 29.388 1.00 26.93 C ATOM 1795 CG PRO B 731 4.143 22.477 28.961 1.00 28.07 C ATOM 1796 CD PRO B 731 3.330 23.586 28.376 1.00 25.80 C ATOM 0 HA PRO B 731 1.336 21.090 28.389 1.00 23.94 H new ATOM 0 HB2 PRO B 731 3.270 21.219 30.348 1.00 26.93 H new ATOM 0 HB3 PRO B 731 3.500 20.513 28.977 1.00 26.93 H new ATOM 0 HG2 PRO B 731 4.649 22.801 29.722 1.00 28.07 H new ATOM 0 HG3 PRO B 731 4.786 22.156 28.309 1.00 28.07 H new ATOM 0 HD2 PRO B 731 3.308 24.360 28.961 1.00 25.80 H new ATOM 0 HD3 PRO B 731 3.691 23.883 27.526 1.00 25.80 H new ATOM 1797 N SER B 732 0.462 20.761 30.768 1.00 23.52 N ATOM 1798 CA SER B 732 -0.318 20.820 32.021 1.00 27.30 C ATOM 1799 C SER B 732 0.359 21.627 33.130 1.00 31.27 C ATOM 1800 O SER B 732 1.598 21.758 33.199 1.00 29.17 O ATOM 1801 CB SER B 732 -0.599 19.476 32.544 1.00 29.65 C ATOM 1802 OG SER B 732 -1.387 18.764 31.678 1.00 36.39 O ATOM 0 H SER B 732 0.570 19.973 30.440 1.00 23.52 H new ATOM 0 HA SER B 732 -1.141 21.271 31.775 1.00 27.30 H new ATOM 0 HB2 SER B 732 0.235 19.002 32.691 1.00 29.65 H new ATOM 0 HB3 SER B 732 -1.041 19.547 33.405 1.00 29.65 H new ATOM 0 HG SER B 732 -2.070 18.489 32.082 1.00 36.39 H new ATOM 1803 N VAL B 733 -0.456 22.287 33.942 1.00 28.48 N ATOM 1804 CA VAL B 733 0.092 23.250 34.933 1.00 29.02 C ATOM 1805 C VAL B 733 0.971 22.455 35.885 1.00 30.57 C ATOM 1806 O VAL B 733 0.592 21.369 36.227 1.00 29.65 O ATOM 1807 CB VAL B 733 -1.020 23.930 35.750 1.00 26.10 C ATOM 1808 CG1 VAL B 733 -0.465 24.845 36.832 1.00 27.37 C ATOM 1809 CG2 VAL B 733 -1.891 24.791 34.850 1.00 26.63 C ATOM 0 H VAL B 733 -1.312 22.205 33.948 1.00 28.48 H new ATOM 0 HA VAL B 733 0.581 23.945 34.465 1.00 29.02 H new ATOM 0 HB VAL B 733 -1.529 23.212 36.158 1.00 26.10 H new ATOM 0 HG11 VAL B 733 -1.198 25.251 37.320 1.00 27.37 H new ATOM 0 HG12 VAL B 733 0.083 24.328 37.443 1.00 27.37 H new ATOM 0 HG13 VAL B 733 0.074 25.540 36.423 1.00 27.37 H new ATOM 0 HG21 VAL B 733 -2.586 25.212 35.379 1.00 26.63 H new ATOM 0 HG22 VAL B 733 -1.346 25.475 34.430 1.00 26.63 H new ATOM 0 HG23 VAL B 733 -2.297 24.236 34.166 1.00 26.63 H new ATOM 1810 N GLU B 734 2.170 22.960 36.233 1.00 35.33 N ATOM 1811 CA GLU B 734 3.019 22.357 37.315 1.00 44.08 C ATOM 1812 C GLU B 734 2.415 22.859 38.636 1.00 43.95 C ATOM 1813 O GLU B 734 2.625 24.011 39.042 1.00 41.60 O ATOM 1814 CB GLU B 734 4.473 22.802 37.222 1.00 50.01 C ATOM 1815 CG GLU B 734 5.165 22.375 35.939 1.00 59.48 C ATOM 1816 CD GLU B 734 5.056 23.382 34.816 1.00 71.62 C ATOM 1817 OE1 GLU B 734 4.716 24.555 35.094 1.00 90.87 O ATOM 1818 OE2 GLU B 734 5.310 23.008 33.643 1.00 90.88 O ATOM 0 H GLU B 734 2.519 23.652 35.860 1.00 35.33 H new ATOM 0 HA GLU B 734 3.023 21.390 37.241 1.00 44.08 H new ATOM 0 HB2 GLU B 734 4.512 23.769 37.294 1.00 50.01 H new ATOM 0 HB3 GLU B 734 4.962 22.441 37.978 1.00 50.01 H new ATOM 0 HG2 GLU B 734 6.103 22.214 36.127 1.00 59.48 H new ATOM 0 HG3 GLU B 734 4.786 21.532 35.643 1.00 59.48 H new ATOM 1819 N ALA B 735 1.585 22.017 39.239 1.00 44.29 N ATOM 1820 CA ALA B 735 0.827 22.354 40.455 1.00 51.71 C ATOM 1821 C ALA B 735 1.733 22.684 41.674 1.00 60.40 C ATOM 1822 O ALA B 735 1.397 23.555 42.509 1.00 60.13 O ATOM 1823 CB ALA B 735 -0.141 21.203 40.792 1.00 52.32 C ATOM 0 H ALA B 735 1.439 21.219 38.954 1.00 44.29 H new ATOM 0 HA ALA B 735 0.328 23.164 40.267 1.00 51.71 H new ATOM 0 HB1 ALA B 735 -0.641 21.424 41.593 1.00 52.32 H new ATOM 0 HB2 ALA B 735 -0.756 21.071 40.054 1.00 52.32 H new ATOM 0 HB3 ALA B 735 0.364 20.388 40.941 1.00 52.32 H new ATOM 1824 N ASN B 736 2.852 21.964 41.743 1.00 57.61 N ATOM 1825 CA ASN B 736 3.949 22.184 42.696 1.00 74.01 C ATOM 1826 C ASN B 736 4.694 23.547 42.638 1.00 79.89 C ATOM 1827 O ASN B 736 5.268 23.952 43.651 1.00 81.81 O ATOM 1828 CB ASN B 736 5.016 21.115 42.432 1.00 81.13 C ATOM 1829 CG ASN B 736 5.615 21.246 41.025 1.00 86.37 C ATOM 1830 OD1 ASN B 736 4.926 21.011 40.022 1.00 86.44 O ATOM 1831 ND2 ASN B 736 6.865 21.700 40.946 1.00 93.80 N ATOM 0 H ASN B 736 3.002 21.304 41.213 1.00 57.61 H new ATOM 0 HA ASN B 736 3.516 22.154 43.563 1.00 74.01 H new ATOM 0 HB2 ASN B 736 5.722 21.192 43.093 1.00 81.13 H new ATOM 0 HB3 ASN B 736 4.624 20.234 42.536 1.00 81.13 H new ATOM 0 HD21 ASN B 736 7.223 21.841 40.177 1.00 93.80 H new ATOM 0 HD22 ASN B 736 7.313 21.852 41.664 1.00 93.80 H new ATOM 1832 N LYS B 737 4.739 24.207 41.466 1.00 82.94 N ATOM 1833 CA LYS B 737 5.658 25.362 41.218 1.00 81.65 C ATOM 1834 C LYS B 737 5.124 26.702 41.701 1.00 78.85 C ATOM 1835 O LYS B 737 3.922 26.954 41.655 1.00 64.42 O ATOM 1836 CB LYS B 737 6.024 25.498 39.730 1.00 80.62 C ATOM 1837 CG LYS B 737 7.350 24.845 39.365 1.00 86.54 C ATOM 1838 CD LYS B 737 7.953 25.413 38.093 1.00 87.26 C ATOM 1839 CE LYS B 737 8.160 26.916 38.184 1.00 89.11 C ATOM 1840 NZ LYS B 737 9.344 27.360 37.411 1.00 89.19 N ATOM 0 H LYS B 737 4.245 24.006 40.792 1.00 82.94 H new ATOM 0 HA LYS B 737 6.446 25.148 41.742 1.00 81.65 H new ATOM 0 HB2 LYS B 737 5.319 25.102 39.194 1.00 80.62 H new ATOM 0 HB3 LYS B 737 6.061 26.439 39.499 1.00 80.62 H new ATOM 0 HG2 LYS B 737 7.976 24.963 40.096 1.00 86.54 H new ATOM 0 HG3 LYS B 737 7.217 23.890 39.257 1.00 86.54 H new ATOM 0 HD2 LYS B 737 8.803 24.980 37.918 1.00 87.26 H new ATOM 0 HD3 LYS B 737 7.372 25.212 37.343 1.00 87.26 H new ATOM 0 HE2 LYS B 737 7.370 27.371 37.854 1.00 89.11 H new ATOM 0 HE3 LYS B 737 8.267 27.171 39.114 1.00 89.11 H new ATOM 0 HZ1 LYS B 737 9.434 28.242 37.487 1.00 89.19 H new ATOM 0 HZ2 LYS B 737 10.073 26.959 37.728 1.00 89.19 H new ATOM 0 HZ3 LYS B 737 9.237 27.146 36.554 1.00 89.19 H new ATOM 1841 N ASN B 738 6.030 27.566 42.156 1.00 81.29 N ATOM 1842 CA ASN B 738 5.631 28.857 42.712 1.00 81.74 C ATOM 1843 C ASN B 738 6.845 29.789 42.849 1.00 77.28 C ATOM 1844 O ASN B 738 7.686 29.555 43.701 1.00 88.91 O ATOM 1845 CB ASN B 738 4.887 28.692 44.052 1.00 83.59 C ATOM 1846 CG ASN B 738 3.762 29.700 44.205 1.00 93.39 C ATOM 1847 OD1 ASN B 738 3.979 30.898 44.023 1.00111.64 O ATOM 1848 ND2 ASN B 738 2.555 29.225 44.498 1.00 83.01 N ATOM 0 H ASN B 738 6.878 27.424 42.152 1.00 81.29 H new ATOM 0 HA ASN B 738 5.009 29.269 42.092 1.00 81.74 H new ATOM 0 HB2 ASN B 738 4.526 27.794 44.112 1.00 83.59 H new ATOM 0 HB3 ASN B 738 5.515 28.795 44.784 1.00 83.59 H new ATOM 0 HD21 ASN B 738 1.887 29.762 44.567 1.00 83.01 H new ATOM 0 HD22 ASN B 738 2.443 28.381 44.618 1.00 83.01 H new ATOM 1849 N PRO B 739 6.958 30.832 42.032 1.00 59.77 N ATOM 1850 CA PRO B 739 5.901 31.302 41.148 1.00 56.25 C ATOM 1851 C PRO B 739 5.798 30.438 39.879 1.00 45.83 C ATOM 1852 O PRO B 739 6.747 29.731 39.508 1.00 46.41 O ATOM 1853 CB PRO B 739 6.319 32.749 40.840 1.00 52.62 C ATOM 1854 CG PRO B 739 7.794 32.717 40.936 1.00 56.41 C ATOM 1855 CD PRO B 739 8.075 31.779 42.079 1.00 55.60 C ATOM 0 HA PRO B 739 5.017 31.248 41.545 1.00 56.25 H new ATOM 0 HB2 PRO B 739 6.025 33.024 39.957 1.00 52.62 H new ATOM 0 HB3 PRO B 739 5.934 33.374 41.475 1.00 52.62 H new ATOM 0 HG2 PRO B 739 8.195 32.400 40.112 1.00 56.41 H new ATOM 0 HG3 PRO B 739 8.156 33.600 41.106 1.00 56.41 H new ATOM 0 HD2 PRO B 739 8.928 31.330 41.970 1.00 55.60 H new ATOM 0 HD3 PRO B 739 8.108 32.250 42.927 1.00 55.60 H new ATOM 1856 N TRP B 740 4.593 30.425 39.316 1.00 38.94 N ATOM 1857 CA TRP B 740 4.290 29.734 38.046 1.00 32.01 C ATOM 1858 C TRP B 740 3.885 30.800 37.041 1.00 29.41 C ATOM 1859 O TRP B 740 3.022 31.644 37.357 1.00 33.37 O ATOM 1860 CB TRP B 740 3.138 28.761 38.243 1.00 33.33 C ATOM 1861 CG TRP B 740 2.766 28.072 37.000 1.00 31.09 C ATOM 1862 CD1 TRP B 740 3.431 27.035 36.406 1.00 33.46 C ATOM 1863 CD2 TRP B 740 1.638 28.360 36.195 1.00 26.38 C ATOM 1864 NE1 TRP B 740 2.778 26.664 35.262 1.00 31.44 N ATOM 1865 CE2 TRP B 740 1.677 27.484 35.102 1.00 28.28 C ATOM 1866 CE3 TRP B 740 0.581 29.274 36.301 1.00 29.02 C ATOM 1867 CZ2 TRP B 740 0.678 27.497 34.092 1.00 26.35 C ATOM 1868 CZ3 TRP B 740 -0.396 29.321 35.347 1.00 26.33 C ATOM 1869 CH2 TRP B 740 -0.343 28.410 34.227 1.00 25.99 C ATOM 0 H TRP B 740 3.912 30.822 39.661 1.00 38.94 H new ATOM 0 HA TRP B 740 5.062 29.235 37.737 1.00 32.01 H new ATOM 0 HB2 TRP B 740 3.384 28.104 38.913 1.00 33.33 H new ATOM 0 HB3 TRP B 740 2.368 29.241 38.586 1.00 33.33 H new ATOM 0 HD1 TRP B 740 4.209 26.642 36.730 1.00 33.46 H new ATOM 0 HE1 TRP B 740 3.013 26.028 34.732 1.00 31.44 H new ATOM 0 HE3 TRP B 740 0.544 29.854 37.027 1.00 29.02 H new ATOM 0 HZ2 TRP B 740 0.713 26.913 33.369 1.00 26.35 H new ATOM 0 HZ3 TRP B 740 -1.091 29.935 35.418 1.00 26.33 H new ATOM 0 HH2 TRP B 740 -1.013 28.441 33.583 1.00 25.99 H new ATOM 1870 N SER B 741 4.507 30.789 35.854 1.00 26.32 N ATOM 1871 CA SER B 741 4.138 31.645 34.747 1.00 26.40 C ATOM 1872 C SER B 741 3.546 30.739 33.660 1.00 26.96 C ATOM 1873 O SER B 741 4.120 29.630 33.381 1.00 24.93 O ATOM 1874 CB SER B 741 5.282 32.378 34.122 1.00 28.94 C ATOM 1875 OG SER B 741 5.675 33.507 34.872 1.00 33.74 O ATOM 0 H SER B 741 5.168 30.268 35.678 1.00 26.32 H new ATOM 0 HA SER B 741 3.527 32.312 35.096 1.00 26.40 H new ATOM 0 HB2 SER B 741 6.037 31.776 34.030 1.00 28.94 H new ATOM 0 HB3 SER B 741 5.033 32.658 33.228 1.00 28.94 H new ATOM 0 HG SER B 741 5.159 34.148 34.704 1.00 33.74 H new ATOM 1876 N CYS B 742 2.509 31.291 32.995 1.00 23.39 N ATOM 1877 CA CYS B 742 1.824 30.595 31.934 1.00 22.10 C ATOM 1878 C CYS B 742 2.612 30.669 30.626 1.00 20.38 C ATOM 1879 O CYS B 742 3.556 31.468 30.486 1.00 20.17 O ATOM 1880 CB CYS B 742 0.414 31.217 31.761 1.00 23.04 C ATOM 1881 SG CYS B 742 0.290 32.741 30.825 1.00 22.94 S ATOM 0 H CYS B 742 2.199 32.076 33.160 1.00 23.39 H new ATOM 0 HA CYS B 742 1.742 29.657 32.167 1.00 22.10 H new ATOM 0 HB2 CYS B 742 -0.154 30.557 31.334 1.00 23.04 H new ATOM 0 HB3 CYS B 742 0.047 31.378 32.645 1.00 23.04 H new ATOM 1882 N ILE B 743 2.110 29.927 29.631 1.00 18.89 N ATOM 1883 CA ILE B 743 2.705 29.820 28.341 1.00 19.69 C ATOM 1884 C ILE B 743 2.686 31.144 27.575 1.00 21.45 C ATOM 1885 O ILE B 743 3.615 31.457 26.859 1.00 21.11 O ATOM 1886 CB ILE B 743 2.123 28.670 27.541 1.00 19.40 C ATOM 1887 CG1 ILE B 743 3.032 28.442 26.285 1.00 21.65 C ATOM 1888 CG2 ILE B 743 0.661 28.884 27.162 1.00 20.99 C ATOM 1889 CD1 ILE B 743 2.879 27.064 25.727 1.00 25.37 C ATOM 0 H ILE B 743 1.389 29.465 29.713 1.00 18.89 H new ATOM 0 HA ILE B 743 3.641 29.610 28.482 1.00 19.69 H new ATOM 0 HB ILE B 743 2.117 27.873 28.094 1.00 19.40 H new ATOM 0 HG12 ILE B 743 2.808 29.093 25.602 1.00 21.65 H new ATOM 0 HG13 ILE B 743 3.960 28.591 26.526 1.00 21.65 H new ATOM 0 HG21 ILE B 743 0.343 28.121 26.654 1.00 20.99 H new ATOM 0 HG22 ILE B 743 0.129 28.981 27.967 1.00 20.99 H new ATOM 0 HG23 ILE B 743 0.580 29.687 26.623 1.00 20.99 H new ATOM 0 HD11 ILE B 743 3.455 26.962 24.954 1.00 25.37 H new ATOM 0 HD12 ILE B 743 3.126 26.412 26.402 1.00 25.37 H new ATOM 0 HD13 ILE B 743 1.956 26.922 25.463 1.00 25.37 H new ATOM 1890 N PHE B 744 1.635 31.960 27.746 1.00 21.52 N ATOM 1891 CA PHE B 744 1.663 33.281 27.078 1.00 22.45 C ATOM 1892 C PHE B 744 2.856 34.125 27.577 1.00 21.75 C ATOM 1893 O PHE B 744 3.578 34.775 26.793 1.00 23.92 O ATOM 1894 CB PHE B 744 0.324 34.058 27.379 1.00 23.41 C ATOM 1895 CG PHE B 744 -0.904 33.477 26.777 1.00 21.70 C ATOM 1896 CD1 PHE B 744 -1.565 32.391 27.306 1.00 21.08 C ATOM 1897 CD2 PHE B 744 -1.442 34.019 25.632 1.00 20.31 C ATOM 1898 CE1 PHE B 744 -2.705 31.846 26.664 1.00 21.41 C ATOM 1899 CE2 PHE B 744 -2.582 33.527 25.049 1.00 22.25 C ATOM 1900 CZ PHE B 744 -3.217 32.446 25.557 1.00 20.80 C ATOM 0 H PHE B 744 0.935 31.787 28.214 1.00 21.52 H new ATOM 0 HA PHE B 744 1.757 33.136 26.124 1.00 22.45 H new ATOM 0 HB2 PHE B 744 0.204 34.102 28.340 1.00 23.41 H new ATOM 0 HB3 PHE B 744 0.420 34.970 27.063 1.00 23.41 H new ATOM 0 HD1 PHE B 744 -1.259 32.009 28.097 1.00 21.08 H new ATOM 0 HD2 PHE B 744 -1.016 34.746 25.239 1.00 20.31 H new ATOM 0 HE1 PHE B 744 -3.104 31.076 27.001 1.00 21.41 H new ATOM 0 HE2 PHE B 744 -2.924 33.944 24.291 1.00 22.25 H new ATOM 0 HZ PHE B 744 -3.990 32.119 25.156 1.00 20.80 H new ATOM 1901 N CYS B 745 3.044 34.136 28.885 1.00 22.21 N ATOM 1902 CA CYS B 745 4.142 34.837 29.530 1.00 24.46 C ATOM 1903 C CYS B 745 5.510 34.280 29.094 1.00 25.46 C ATOM 1904 O CYS B 745 6.445 35.033 28.777 1.00 25.05 O ATOM 1905 CB CYS B 745 4.036 34.741 30.995 1.00 23.88 C ATOM 1906 SG CYS B 745 2.701 35.827 31.649 1.00 28.73 S ATOM 0 H CYS B 745 2.526 33.727 29.436 1.00 22.21 H new ATOM 0 HA CYS B 745 4.080 35.765 29.256 1.00 24.46 H new ATOM 0 HB2 CYS B 745 3.859 33.821 31.248 1.00 23.88 H new ATOM 0 HB3 CYS B 745 4.883 34.989 31.399 1.00 23.88 H new ATOM 1907 N ARG B 746 5.615 32.947 29.050 1.00 23.18 N ATOM 1908 CA ARG B 746 6.871 32.326 28.584 1.00 23.44 C ATOM 1909 C ARG B 746 7.232 32.594 27.160 1.00 24.88 C ATOM 1910 O ARG B 746 8.417 32.788 26.850 1.00 26.09 O ATOM 1911 CB ARG B 746 6.823 30.818 28.855 1.00 23.29 C ATOM 1912 CG ARG B 746 6.823 30.490 30.346 1.00 25.78 C ATOM 1913 CD ARG B 746 6.504 29.076 30.625 1.00 28.01 C ATOM 1914 NE ARG B 746 7.566 28.178 30.141 1.00 29.41 N ATOM 1915 CZ ARG B 746 7.492 26.845 30.138 1.00 26.76 C ATOM 1916 NH1 ARG B 746 6.417 26.217 30.524 1.00 27.87 N ATOM 1917 NH2 ARG B 746 8.568 26.152 29.701 1.00 30.69 N ATOM 0 H ARG B 746 4.995 32.396 29.277 1.00 23.18 H new ATOM 0 HA ARG B 746 7.579 32.750 29.094 1.00 23.44 H new ATOM 0 HB2 ARG B 746 6.027 30.444 28.445 1.00 23.29 H new ATOM 0 HB3 ARG B 746 7.586 30.392 28.434 1.00 23.29 H new ATOM 0 HG2 ARG B 746 7.694 30.699 30.718 1.00 25.78 H new ATOM 0 HG3 ARG B 746 6.178 31.057 30.797 1.00 25.78 H new ATOM 0 HD2 ARG B 746 6.384 28.952 31.580 1.00 28.01 H new ATOM 0 HD3 ARG B 746 5.663 28.843 30.201 1.00 28.01 H new ATOM 0 HE ARG B 746 8.286 28.538 29.838 1.00 29.41 H new ATOM 0 HH11 ARG B 746 5.731 26.662 30.790 1.00 27.87 H new ATOM 0 HH12 ARG B 746 6.394 25.357 30.513 1.00 27.87 H new ATOM 0 HH21 ARG B 746 9.271 26.571 29.436 1.00 30.69 H new ATOM 0 HH22 ARG B 746 8.549 25.292 29.688 1.00 30.69 H new ATOM 1918 N ILE B 747 6.261 32.555 26.277 1.00 22.77 N ATOM 1919 CA ILE B 747 6.427 32.879 24.890 1.00 24.27 C ATOM 1920 C ILE B 747 6.832 34.357 24.726 1.00 26.52 C ATOM 1921 O ILE B 747 7.714 34.662 23.911 1.00 26.47 O ATOM 1922 CB ILE B 747 5.153 32.585 24.084 1.00 23.39 C ATOM 1923 CG1 ILE B 747 4.903 31.048 23.988 1.00 26.38 C ATOM 1924 CG2 ILE B 747 5.211 33.179 22.687 1.00 27.74 C ATOM 1925 CD1 ILE B 747 5.900 30.380 23.038 1.00 26.22 C ATOM 0 H ILE B 747 5.456 32.330 26.480 1.00 22.77 H new ATOM 0 HA ILE B 747 7.136 32.316 24.541 1.00 24.27 H new ATOM 0 HB ILE B 747 4.418 33.004 24.558 1.00 23.39 H new ATOM 0 HG12 ILE B 747 4.977 30.651 24.870 1.00 26.38 H new ATOM 0 HG13 ILE B 747 3.998 30.884 23.678 1.00 26.38 H new ATOM 0 HG21 ILE B 747 4.391 32.972 22.213 1.00 27.74 H new ATOM 0 HG22 ILE B 747 5.314 34.142 22.748 1.00 27.74 H new ATOM 0 HG23 ILE B 747 5.965 32.804 22.207 1.00 27.74 H new ATOM 0 HD11 ILE B 747 5.721 29.427 22.998 1.00 26.22 H new ATOM 0 HD12 ILE B 747 5.809 30.763 22.151 1.00 26.22 H new ATOM 0 HD13 ILE B 747 6.803 30.526 23.361 1.00 26.22 H new ATOM 1926 N LYS B 748 6.193 35.226 25.464 1.00 26.23 N ATOM 1927 CA LYS B 748 6.514 36.686 25.387 1.00 33.13 C ATOM 1928 C LYS B 748 7.965 36.917 25.836 1.00 30.45 C ATOM 1929 O LYS B 748 8.666 37.699 25.217 1.00 28.81 O ATOM 1930 CB LYS B 748 5.550 37.467 26.262 1.00 36.73 C ATOM 1931 CG LYS B 748 5.776 38.985 26.245 1.00 47.30 C ATOM 1932 CD LYS B 748 4.677 39.688 27.022 1.00 52.11 C ATOM 1933 CE LYS B 748 4.778 39.397 28.510 1.00 59.82 C ATOM 1934 NZ LYS B 748 3.889 40.297 29.311 1.00 75.16 N ATOM 0 H LYS B 748 5.570 35.024 26.021 1.00 26.23 H new ATOM 0 HA LYS B 748 6.420 36.995 24.472 1.00 33.13 H new ATOM 0 HB2 LYS B 748 4.643 37.282 25.972 1.00 36.73 H new ATOM 0 HB3 LYS B 748 5.627 37.149 27.175 1.00 36.73 H new ATOM 0 HG2 LYS B 748 6.640 39.194 26.633 1.00 47.30 H new ATOM 0 HG3 LYS B 748 5.790 39.306 25.330 1.00 47.30 H new ATOM 0 HD2 LYS B 748 4.734 40.645 26.873 1.00 52.11 H new ATOM 0 HD3 LYS B 748 3.811 39.401 26.692 1.00 52.11 H new ATOM 0 HE2 LYS B 748 4.537 38.472 28.676 1.00 59.82 H new ATOM 0 HE3 LYS B 748 5.697 39.508 28.800 1.00 59.82 H new ATOM 0 HZ1 LYS B 748 3.971 40.102 30.176 1.00 75.16 H new ATOM 0 HZ2 LYS B 748 4.124 41.145 29.175 1.00 75.16 H new ATOM 0 HZ3 LYS B 748 3.043 40.180 29.059 1.00 75.16 H new ATOM 1935 N THR B 749 8.400 36.257 26.905 1.00 28.32 N ATOM 1936 CA THR B 749 9.797 36.320 27.326 1.00 31.95 C ATOM 1937 C THR B 749 10.791 35.966 26.231 1.00 33.41 C ATOM 1938 O THR B 749 11.733 36.711 26.016 1.00 37.40 O ATOM 1939 CB THR B 749 10.055 35.521 28.609 1.00 31.64 C ATOM 1940 OG1 THR B 749 9.354 36.152 29.683 1.00 33.64 O ATOM 1941 CG2 THR B 749 11.469 35.563 28.996 1.00 34.87 C ATOM 0 H THR B 749 7.900 35.765 27.402 1.00 28.32 H new ATOM 0 HA THR B 749 9.955 37.256 27.527 1.00 31.95 H new ATOM 0 HB THR B 749 9.773 34.607 28.444 1.00 31.64 H new ATOM 0 HG1 THR B 749 8.560 35.879 29.698 1.00 33.64 H new ATOM 0 HG21 THR B 749 11.598 35.049 29.809 1.00 34.87 H new ATOM 0 HG22 THR B 749 12.010 35.184 28.286 1.00 34.87 H new ATOM 0 HG23 THR B 749 11.735 36.483 29.150 1.00 34.87 H new ATOM 1942 N ILE B 750 10.560 34.875 25.518 1.00 31.73 N ATOM 1943 CA ILE B 750 11.332 34.504 24.356 1.00 30.99 C ATOM 1944 C ILE B 750 11.314 35.519 23.221 1.00 35.16 C ATOM 1945 O ILE B 750 12.364 35.783 22.591 1.00 33.51 O ATOM 1946 CB ILE B 750 10.847 33.130 23.796 1.00 29.42 C ATOM 1947 CG1 ILE B 750 11.157 32.038 24.795 1.00 32.15 C ATOM 1948 CG2 ILE B 750 11.518 32.783 22.492 1.00 29.67 C ATOM 1949 CD1 ILE B 750 10.461 30.740 24.486 1.00 36.55 C ATOM 0 H ILE B 750 9.932 34.318 25.705 1.00 31.73 H new ATOM 0 HA ILE B 750 12.247 34.458 24.675 1.00 30.99 H new ATOM 0 HB ILE B 750 9.892 33.202 23.643 1.00 29.42 H new ATOM 0 HG12 ILE B 750 12.115 31.888 24.815 1.00 32.15 H new ATOM 0 HG13 ILE B 750 10.898 32.335 25.681 1.00 32.15 H new ATOM 0 HG21 ILE B 750 11.191 31.925 22.178 1.00 29.67 H new ATOM 0 HG22 ILE B 750 11.318 33.466 21.833 1.00 29.67 H new ATOM 0 HG23 ILE B 750 12.478 32.734 22.625 1.00 29.67 H new ATOM 0 HD11 ILE B 750 10.695 30.079 25.156 1.00 36.55 H new ATOM 0 HD12 ILE B 750 9.501 30.878 24.491 1.00 36.55 H new ATOM 0 HD13 ILE B 750 10.737 30.425 23.611 1.00 36.55 H new ATOM 1950 N GLN B 751 10.140 36.039 22.925 1.00 30.07 N ATOM 1951 CA GLN B 751 9.965 37.001 21.836 1.00 33.21 C ATOM 1952 C GLN B 751 10.744 38.288 22.107 1.00 30.60 C ATOM 1953 O GLN B 751 11.292 38.881 21.185 1.00 37.08 O ATOM 1954 CB GLN B 751 8.473 37.309 21.580 1.00 34.49 C ATOM 1955 CG GLN B 751 7.786 36.059 21.002 1.00 41.38 C ATOM 1956 CD GLN B 751 6.292 36.229 20.673 1.00 45.82 C ATOM 1957 OE1 GLN B 751 5.568 37.038 21.271 1.00 44.65 O ATOM 1958 NE2 GLN B 751 5.843 35.455 19.697 1.00 44.52 N ATOM 0 H GLN B 751 9.415 35.849 23.346 1.00 30.07 H new ATOM 0 HA GLN B 751 10.323 36.593 21.032 1.00 33.21 H new ATOM 0 HB2 GLN B 751 8.041 37.575 22.407 1.00 34.49 H new ATOM 0 HB3 GLN B 751 8.387 38.052 20.963 1.00 34.49 H new ATOM 0 HG2 GLN B 751 8.253 35.795 20.194 1.00 41.38 H new ATOM 0 HG3 GLN B 751 7.883 35.331 21.636 1.00 41.38 H new ATOM 0 HE21 GLN B 751 6.375 34.905 19.305 1.00 44.52 H new ATOM 0 HE22 GLN B 751 5.019 35.502 19.455 1.00 44.52 H new ATOM 1959 N GLU B 752 10.845 38.654 23.374 1.00 34.11 N ATOM 1960 CA GLU B 752 11.421 39.934 23.780 1.00 35.75 C ATOM 1961 C GLU B 752 12.928 39.899 23.982 1.00 44.80 C ATOM 1962 O GLU B 752 13.507 40.981 24.219 1.00 37.56 O ATOM 1963 CB GLU B 752 10.786 40.394 25.080 1.00 41.43 C ATOM 1964 CG GLU B 752 9.361 40.842 24.862 1.00 41.51 C ATOM 1965 CD GLU B 752 8.650 41.202 26.141 1.00 54.14 C ATOM 1966 OE1 GLU B 752 9.126 40.870 27.277 1.00 51.48 O ATOM 1967 OE2 GLU B 752 7.569 41.816 25.980 1.00 68.10 O ATOM 0 H GLU B 752 10.581 38.166 24.031 1.00 34.11 H new ATOM 0 HA GLU B 752 11.238 40.546 23.050 1.00 35.75 H new ATOM 0 HB2 GLU B 752 10.805 39.671 25.726 1.00 41.43 H new ATOM 0 HB3 GLU B 752 11.303 41.124 25.455 1.00 41.43 H new ATOM 0 HG2 GLU B 752 9.357 41.610 24.269 1.00 41.51 H new ATOM 0 HG3 GLU B 752 8.871 40.135 24.414 1.00 41.51 H new ATOM 1968 N ARG B 753 13.553 38.701 23.878 1.00 36.91 N ATOM 1969 CA ARG B 753 14.960 38.544 24.222 1.00 37.75 C ATOM 1970 C ARG B 753 15.870 39.411 23.337 1.00 40.16 C ATOM 1971 O ARG B 753 16.725 40.213 23.820 1.00 36.65 O ATOM 1972 CB ARG B 753 15.375 37.073 24.114 1.00 35.30 C ATOM 1973 CG ARG B 753 16.784 36.776 24.626 1.00 35.08 C ATOM 1974 CD ARG B 753 17.012 35.269 24.675 1.00 35.82 C ATOM 1975 NE ARG B 753 16.563 34.550 23.454 1.00 39.68 N ATOM 1976 CZ ARG B 753 15.774 33.454 23.446 1.00 39.98 C ATOM 1977 NH1 ARG B 753 15.294 32.894 24.594 1.00 34.78 N ATOM 1978 NH2 ARG B 753 15.480 32.893 22.285 1.00 39.77 N ATOM 0 H ARG B 753 13.169 37.980 23.610 1.00 36.91 H new ATOM 0 HA ARG B 753 15.067 38.843 25.138 1.00 37.75 H new ATOM 0 HB2 ARG B 753 14.741 36.532 24.611 1.00 35.30 H new ATOM 0 HB3 ARG B 753 15.315 36.799 23.186 1.00 35.30 H new ATOM 0 HG2 ARG B 753 17.441 37.192 24.047 1.00 35.08 H new ATOM 0 HG3 ARG B 753 16.903 37.158 25.510 1.00 35.08 H new ATOM 0 HD2 ARG B 753 17.957 35.098 24.810 1.00 35.82 H new ATOM 0 HD3 ARG B 753 16.545 34.905 25.444 1.00 35.82 H new ATOM 0 HE ARG B 753 16.826 34.855 22.694 1.00 39.68 H new ATOM 0 HH11 ARG B 753 15.492 33.239 25.356 1.00 34.78 H new ATOM 0 HH12 ARG B 753 14.794 32.196 24.555 1.00 34.78 H new ATOM 0 HH21 ARG B 753 15.790 33.227 21.555 1.00 39.77 H new ATOM 0 HH22 ARG B 753 14.979 32.194 22.260 1.00 39.77 H new ATOM 1979 N CYS B 754 15.686 39.245 22.036 1.00 44.36 N ATOM 1980 CA CYS B 754 16.449 39.995 21.032 1.00 46.65 C ATOM 1981 C CYS B 754 15.566 40.005 19.790 1.00 56.62 C ATOM 1982 O CYS B 754 15.697 39.108 18.945 1.00 54.43 O ATOM 1983 CB CYS B 754 17.829 39.374 20.696 1.00 41.65 C ATOM 1984 SG CYS B 754 18.841 40.597 19.734 1.00 45.02 S ATOM 0 H CYS B 754 15.115 38.694 21.703 1.00 44.36 H new ATOM 0 HA CYS B 754 16.654 40.880 21.372 1.00 46.65 H new ATOM 0 HB2 CYS B 754 18.291 39.128 21.513 1.00 41.65 H new ATOM 0 HB3 CYS B 754 17.712 38.561 20.181 1.00 41.65 H new ATOM 0 HG CYS B 754 19.910 40.117 19.475 1.00 45.02 H new ATOM 1985 N PRO B 755 14.645 40.992 19.708 1.00 63.36 N ATOM 1986 CA PRO B 755 13.768 41.028 18.554 1.00 71.71 C ATOM 1987 C PRO B 755 14.544 41.197 17.231 1.00 80.97 C ATOM 1988 O PRO B 755 15.178 42.216 17.013 1.00 69.37 O ATOM 1989 CB PRO B 755 12.824 42.217 18.859 1.00 73.38 C ATOM 1990 CG PRO B 755 12.824 42.326 20.352 1.00 73.20 C ATOM 1991 CD PRO B 755 14.223 41.950 20.758 1.00 70.36 C ATOM 0 HA PRO B 755 13.283 40.198 18.422 1.00 71.71 H new ATOM 0 HB2 PRO B 755 13.142 43.035 18.446 1.00 73.38 H new ATOM 0 HB3 PRO B 755 11.931 42.055 18.517 1.00 73.38 H new ATOM 0 HG2 PRO B 755 12.602 43.225 20.640 1.00 73.20 H new ATOM 0 HG3 PRO B 755 12.169 41.731 20.749 1.00 73.20 H new ATOM 0 HD2 PRO B 755 14.806 42.725 20.789 1.00 70.36 H new ATOM 0 HD3 PRO B 755 14.242 41.545 21.639 1.00 70.36 H new ATOM 1992 N GLU B 756 14.585 40.127 16.435 1.00 99.41 N ATOM 1993 CA GLU B 756 14.636 40.216 14.977 1.00109.56 C ATOM 1994 C GLU B 756 13.147 40.072 14.641 1.00127.90 C ATOM 1995 O GLU B 756 12.574 39.013 14.897 1.00140.89 O ATOM 1996 CB GLU B 756 15.466 39.075 14.369 1.00 94.76 C ATOM 0 H GLU B 756 14.584 39.320 16.732 1.00 99.41 H new ATOM 0 HA GLU B 756 15.054 41.021 14.634 1.00109.56 H new ATOM 1997 N SER B 757 12.528 41.144 14.119 1.00137.12 N ATOM 1998 CA SER B 757 11.046 41.315 14.051 1.00141.00 C ATOM 1999 C SER B 757 10.291 40.164 13.351 1.00144.17 C ATOM 2000 O SER B 757 10.890 39.126 13.069 1.00157.95 O ATOM 2001 CB SER B 757 10.719 42.653 13.358 1.00135.75 C ATOM 0 H SER B 757 12.959 41.809 13.786 1.00137.12 H new ATOM 0 HA SER B 757 10.734 41.306 14.969 1.00141.00 H new ATOM 2002 N GLN B 758 9.000 40.327 13.036 1.00139.20 N ATOM 2003 CA GLN B 758 8.313 39.358 12.150 1.00131.21 C ATOM 2004 C GLN B 758 8.891 39.434 10.713 1.00129.77 C ATOM 2005 O GLN B 758 8.166 39.221 9.737 1.00123.39 O ATOM 2006 CB GLN B 758 6.793 39.576 12.157 1.00121.63 C ATOM 0 H GLN B 758 8.508 40.975 13.315 1.00139.20 H new ATOM 0 HA GLN B 758 8.475 38.465 12.493 1.00131.21 H new ATOM 2007 N SER B 759 10.222 39.629 10.630 1.00127.29 N ATOM 2008 CA SER B 759 10.969 40.050 9.435 1.00121.32 C ATOM 2009 C SER B 759 10.927 38.979 8.347 1.00114.72 C ATOM 2010 O SER B 759 11.238 39.258 7.182 1.00125.87 O ATOM 2011 CB SER B 759 12.435 40.364 9.800 1.00112.17 C ATOM 0 H SER B 759 10.736 39.511 11.309 1.00127.29 H new ATOM 0 HA SER B 759 10.545 40.852 9.091 1.00121.32 H new ATOM 2012 N GLY B 760 10.576 37.756 8.748 1.00 87.70 N ATOM 2013 CA GLY B 760 10.106 36.737 7.838 1.00 76.33 C ATOM 2014 C GLY B 760 11.012 35.533 7.914 1.00 69.51 C ATOM 2015 O GLY B 760 12.237 35.690 7.921 1.00 63.38 O ATOM 0 H GLY B 760 10.608 37.501 9.569 1.00 87.70 H new ATOM 0 HA2 GLY B 760 9.197 36.484 8.063 1.00 76.33 H new ATOM 0 HA3 GLY B 760 10.088 37.083 6.932 1.00 76.33 H new ATOM 2016 N HIS B 761 10.394 34.350 8.026 1.00 50.78 N ATOM 2017 CA HIS B 761 11.016 33.078 7.728 1.00 48.20 C ATOM 2018 C HIS B 761 10.149 32.389 6.698 1.00 42.64 C ATOM 2019 O HIS B 761 8.993 32.773 6.517 1.00 45.47 O ATOM 2020 CB HIS B 761 11.034 32.260 8.995 1.00 44.78 C ATOM 2021 CG HIS B 761 11.759 32.928 10.106 1.00 48.76 C ATOM 2022 ND1 HIS B 761 11.119 33.730 11.017 1.00 53.47 N ATOM 2023 CD2 HIS B 761 13.077 32.950 10.439 1.00 47.12 C ATOM 2024 CE1 HIS B 761 12.002 34.186 11.893 1.00 51.32 C ATOM 2025 NE2 HIS B 761 13.195 33.723 11.562 1.00 45.48 N ATOM 0 H HIS B 761 9.578 34.276 8.286 1.00 50.78 H new ATOM 0 HA HIS B 761 11.921 33.186 7.395 1.00 48.20 H new ATOM 0 HB2 HIS B 761 10.122 32.081 9.272 1.00 44.78 H new ATOM 0 HB3 HIS B 761 11.449 31.402 8.814 1.00 44.78 H new ATOM 0 HD1 HIS B 761 10.278 33.908 11.019 1.00 53.47 H new ATOM 0 HD2 HIS B 761 13.768 32.521 9.988 1.00 47.12 H new ATOM 0 HE1 HIS B 761 11.814 34.738 12.618 1.00 51.32 H new ATOM 2026 N GLN B 762 10.686 31.398 6.003 1.00 37.86 N ATOM 2027 CA GLN B 762 9.917 30.664 5.027 1.00 39.60 C ATOM 2028 C GLN B 762 9.346 29.480 5.755 1.00 40.13 C ATOM 2029 O GLN B 762 10.036 28.952 6.639 1.00 39.19 O ATOM 2030 CB GLN B 762 10.807 30.126 3.917 1.00 48.11 C ATOM 2031 CG GLN B 762 11.799 31.124 3.392 1.00 56.48 C ATOM 2032 CD GLN B 762 11.134 32.448 3.141 1.00 66.79 C ATOM 2033 OE1 GLN B 762 10.126 32.522 2.406 1.00 65.56 O ATOM 2034 NE2 GLN B 762 11.652 33.505 3.778 1.00 75.92 N ATOM 0 H GLN B 762 11.501 31.137 6.086 1.00 37.86 H new ATOM 0 HA GLN B 762 9.244 31.241 4.634 1.00 39.60 H new ATOM 0 HB2 GLN B 762 11.286 29.350 4.247 1.00 48.11 H new ATOM 0 HB3 GLN B 762 10.248 29.824 3.184 1.00 48.11 H new ATOM 0 HG2 GLN B 762 12.522 31.235 4.029 1.00 56.48 H new ATOM 0 HG3 GLN B 762 12.194 30.794 2.570 1.00 56.48 H new ATOM 0 HE21 GLN B 762 12.348 33.409 4.275 1.00 75.92 H new ATOM 0 HE22 GLN B 762 11.289 34.280 3.691 1.00 75.92 H new ATOM 2035 N GLU B 763 8.167 29.022 5.353 1.00 40.90 N ATOM 2036 CA GLU B 763 7.543 27.862 5.979 1.00 37.23 C ATOM 2037 C GLU B 763 8.428 26.624 5.846 1.00 38.80 C ATOM 2038 O GLU B 763 8.565 25.875 6.835 1.00 33.99 O ATOM 2039 CB GLU B 763 6.091 27.591 5.479 1.00 36.34 C ATOM 2040 CG GLU B 763 5.450 26.256 6.025 1.00 33.92 C ATOM 2041 CD GLU B 763 4.097 25.875 5.467 1.00 33.37 C ATOM 2042 OE1 GLU B 763 3.174 26.687 5.621 1.00 41.38 O ATOM 2043 OE2 GLU B 763 3.894 24.761 4.907 1.00 36.31 O ATOM 0 H GLU B 763 7.708 29.371 4.715 1.00 40.90 H new ATOM 0 HA GLU B 763 7.457 28.075 6.922 1.00 37.23 H new ATOM 0 HB2 GLU B 763 5.527 28.337 5.738 1.00 36.34 H new ATOM 0 HB3 GLU B 763 6.095 27.562 4.509 1.00 36.34 H new ATOM 0 HG2 GLU B 763 6.067 25.529 5.847 1.00 33.92 H new ATOM 0 HG3 GLU B 763 5.370 26.330 6.989 1.00 33.92 H new ATOM 2044 N SER B 764 9.052 26.394 4.669 1.00 34.82 N ATOM 2045 CA ASER B 764 9.863 25.177 4.457 0.71 31.86 C ATOM 2046 CA BSER B 764 9.874 25.185 4.454 0.29 32.11 C ATOM 2047 C SER B 764 10.975 25.065 5.482 1.00 32.14 C ATOM 2048 O SER B 764 11.253 23.957 5.975 1.00 35.07 O ATOM 2049 CB ASER B 764 10.490 25.161 3.007 0.71 36.06 C ATOM 2050 CB BSER B 764 10.489 25.124 3.024 0.29 32.75 C ATOM 2051 OG ASER B 764 11.241 26.352 2.839 0.71 36.69 O ATOM 2052 OG BSER B 764 9.900 24.072 2.311 0.29 30.11 O ATOM 0 H ASER B 764 9.017 26.924 3.992 0.71 34.82 H new ATOM 0 H BSER B 764 9.011 26.922 3.991 0.29 34.82 H new ATOM 0 HA ASER B 764 9.267 24.419 4.558 0.71 32.11 H new ATOM 0 HA BSER B 764 9.266 24.435 4.553 0.29 32.11 H new ATOM 0 HB2ASER B 764 11.058 24.383 2.892 0.71 32.75 H new ATOM 0 HB2BSER B 764 10.342 25.964 2.562 0.29 32.75 H new ATOM 0 HB3ASER B 764 9.791 25.104 2.336 0.71 32.75 H new ATOM 0 HB3BSER B 764 11.449 24.994 3.079 0.29 32.75 H new ATOM 0 HG ASER B 764 11.584 26.361 2.072 0.71 30.11 H new ATOM 0 HG BSER B 764 10.229 24.038 1.539 0.29 30.11 H new ATOM 2053 N GLU B 765 11.550 26.199 5.850 1.00 29.17 N ATOM 2054 CA GLU B 765 12.625 26.261 6.821 1.00 33.60 C ATOM 2055 C GLU B 765 12.096 25.954 8.218 1.00 32.05 C ATOM 2056 O GLU B 765 12.682 25.148 8.941 1.00 31.21 O ATOM 2057 CB GLU B 765 13.282 27.636 6.844 1.00 33.47 C ATOM 2058 CG GLU B 765 14.445 27.839 7.819 1.00 41.29 C ATOM 2059 CD GLU B 765 14.147 28.516 9.186 1.00 46.12 C ATOM 2060 OE1 GLU B 765 13.399 29.503 9.272 1.00 44.02 O ATOM 2061 OE2 GLU B 765 14.703 28.053 10.234 1.00 44.99 O ATOM 0 H GLU B 765 11.322 26.967 5.536 1.00 29.17 H new ATOM 0 HA GLU B 765 13.285 25.600 6.558 1.00 33.60 H new ATOM 0 HB2 GLU B 765 13.602 27.831 5.949 1.00 33.47 H new ATOM 0 HB3 GLU B 765 12.598 28.293 7.050 1.00 33.47 H new ATOM 0 HG2 GLU B 765 14.837 26.970 7.998 1.00 41.29 H new ATOM 0 HG3 GLU B 765 15.121 28.368 7.368 1.00 41.29 H new ATOM 2062 N VAL B 766 10.998 26.618 8.557 1.00 26.71 N ATOM 2063 CA VAL B 766 10.408 26.422 9.890 1.00 27.55 C ATOM 2064 C VAL B 766 10.062 24.972 10.134 1.00 22.81 C ATOM 2065 O VAL B 766 10.388 24.425 11.239 1.00 23.39 O ATOM 2066 CB VAL B 766 9.175 27.388 10.098 1.00 27.10 C ATOM 2067 CG1 VAL B 766 8.405 26.956 11.373 1.00 30.14 C ATOM 2068 CG2 VAL B 766 9.630 28.817 10.185 1.00 28.89 C ATOM 0 H VAL B 766 10.583 27.174 8.049 1.00 26.71 H new ATOM 0 HA VAL B 766 11.071 26.657 10.558 1.00 27.55 H new ATOM 0 HB VAL B 766 8.578 27.326 9.336 1.00 27.10 H new ATOM 0 HG11 VAL B 766 7.646 27.545 11.508 1.00 30.14 H new ATOM 0 HG12 VAL B 766 8.092 26.044 11.269 1.00 30.14 H new ATOM 0 HG13 VAL B 766 8.995 27.009 12.141 1.00 30.14 H new ATOM 0 HG21 VAL B 766 8.861 29.394 10.312 1.00 28.89 H new ATOM 0 HG22 VAL B 766 10.238 28.918 10.934 1.00 28.89 H new ATOM 0 HG23 VAL B 766 10.086 29.062 9.365 1.00 28.89 H new ATOM 2069 N LEU B 767 9.489 24.310 9.155 1.00 22.55 N ATOM 2070 CA LEU B 767 9.102 22.957 9.301 1.00 23.44 C ATOM 2071 C LEU B 767 10.294 22.011 9.580 1.00 24.33 C ATOM 2072 O LEU B 767 10.148 20.983 10.232 1.00 23.36 O ATOM 2073 CB LEU B 767 8.341 22.424 8.154 1.00 24.01 C ATOM 2074 CG LEU B 767 6.953 23.025 7.807 1.00 27.71 C ATOM 2075 CD1 LEU B 767 6.397 22.379 6.562 1.00 32.29 C ATOM 2076 CD2 LEU B 767 6.025 22.838 8.983 1.00 27.52 C ATOM 0 H LEU B 767 9.317 24.648 8.383 1.00 22.55 H new ATOM 0 HA LEU B 767 8.518 22.975 10.075 1.00 23.44 H new ATOM 0 HB2 LEU B 767 8.901 22.515 7.367 1.00 24.01 H new ATOM 0 HB3 LEU B 767 8.216 21.474 8.305 1.00 24.01 H new ATOM 0 HG LEU B 767 7.043 23.974 7.628 1.00 27.71 H new ATOM 0 HD11 LEU B 767 5.530 22.764 6.357 1.00 32.29 H new ATOM 0 HD12 LEU B 767 7.002 22.533 5.820 1.00 32.29 H new ATOM 0 HD13 LEU B 767 6.300 21.425 6.708 1.00 32.29 H new ATOM 0 HD21 LEU B 767 5.155 23.212 8.772 1.00 27.52 H new ATOM 0 HD22 LEU B 767 5.932 21.892 9.175 1.00 27.52 H new ATOM 0 HD23 LEU B 767 6.391 23.290 9.759 1.00 27.52 H new ATOM 2077 N MET B 768 11.461 22.395 9.054 1.00 25.35 N ATOM 2078 CA MET B 768 12.658 21.548 9.276 1.00 28.60 C ATOM 2079 C MET B 768 13.338 21.755 10.651 1.00 27.96 C ATOM 2080 O MET B 768 14.266 20.967 10.999 1.00 27.32 O ATOM 2081 CB MET B 768 13.658 21.762 8.088 1.00 31.21 C ATOM 2082 CG MET B 768 13.175 21.075 6.826 1.00 36.39 C ATOM 2083 SD MET B 768 12.861 19.298 7.095 1.00 56.33 S ATOM 2084 CE MET B 768 14.512 18.756 7.596 1.00 52.54 C ATOM 0 H MET B 768 11.587 23.106 8.586 1.00 25.35 H new ATOM 0 HA MET B 768 12.362 20.625 9.297 1.00 28.60 H new ATOM 0 HB2 MET B 768 13.765 22.711 7.920 1.00 31.21 H new ATOM 0 HB3 MET B 768 14.531 21.417 8.332 1.00 31.21 H new ATOM 0 HG2 MET B 768 12.362 21.503 6.516 1.00 36.39 H new ATOM 0 HG3 MET B 768 13.837 21.184 6.126 1.00 36.39 H new ATOM 0 HE1 MET B 768 14.545 17.787 7.609 1.00 52.54 H new ATOM 0 HE2 MET B 768 15.168 19.093 6.966 1.00 52.54 H new ATOM 0 HE3 MET B 768 14.710 19.098 8.482 1.00 52.54 H new ATOM 2085 N ARG B 769 12.852 22.705 11.480 1.00 22.88 N ATOM 2086 CA ARG B 769 13.463 22.965 12.742 1.00 23.16 C ATOM 2087 C ARG B 769 13.297 21.775 13.679 1.00 24.24 C ATOM 2088 O ARG B 769 12.169 21.206 13.750 1.00 21.38 O ATOM 2089 CB ARG B 769 12.871 24.168 13.403 1.00 25.04 C ATOM 2090 CG ARG B 769 13.239 25.476 12.713 1.00 29.10 C ATOM 2091 CD ARG B 769 12.695 26.665 13.441 1.00 31.69 C ATOM 2092 NE ARG B 769 12.867 27.839 12.577 1.00 35.68 N ATOM 2093 CZ ARG B 769 12.395 29.041 12.847 1.00 42.73 C ATOM 2094 NH1 ARG B 769 11.707 29.254 13.983 1.00 41.07 N ATOM 2095 NH2 ARG B 769 12.625 30.043 11.975 1.00 40.75 N ATOM 0 H ARG B 769 12.168 23.195 11.305 1.00 22.88 H new ATOM 0 HA ARG B 769 14.404 23.125 12.568 1.00 23.16 H new ATOM 0 HB2 ARG B 769 11.905 24.078 13.419 1.00 25.04 H new ATOM 0 HB3 ARG B 769 13.168 24.201 14.326 1.00 25.04 H new ATOM 0 HG2 ARG B 769 14.204 25.549 12.652 1.00 29.10 H new ATOM 0 HG3 ARG B 769 12.897 25.469 11.805 1.00 29.10 H new ATOM 0 HD2 ARG B 769 11.758 26.534 13.653 1.00 31.69 H new ATOM 0 HD3 ARG B 769 13.161 26.791 14.282 1.00 31.69 H new ATOM 0 HE ARG B 769 13.306 27.736 11.844 1.00 35.68 H new ATOM 0 HH11 ARG B 769 11.575 28.607 14.533 1.00 41.07 H new ATOM 0 HH12 ARG B 769 11.399 30.038 14.159 1.00 41.07 H new ATOM 0 HH21 ARG B 769 13.073 29.893 11.256 1.00 40.75 H new ATOM 0 HH22 ARG B 769 12.324 30.832 12.137 1.00 40.75 H new ATOM 2096 N GLN B 770 14.376 21.398 14.388 1.00 24.59 N ATOM 2097 CA GLN B 770 14.248 20.317 15.359 1.00 22.46 C ATOM 2098 C GLN B 770 13.485 20.792 16.587 1.00 23.02 C ATOM 2099 O GLN B 770 13.513 21.971 16.926 1.00 22.47 O ATOM 2100 CB GLN B 770 15.649 19.743 15.753 1.00 24.40 C ATOM 2101 CG GLN B 770 16.248 19.107 14.510 1.00 26.24 C ATOM 2102 CD GLN B 770 17.638 18.567 14.776 1.00 34.40 C ATOM 2103 OE1 GLN B 770 18.038 18.457 15.892 1.00 33.70 O ATOM 2104 NE2 GLN B 770 18.349 18.247 13.741 1.00 41.44 N ATOM 0 H GLN B 770 15.160 21.746 14.321 1.00 24.59 H new ATOM 0 HA GLN B 770 13.743 19.598 14.947 1.00 22.46 H new ATOM 0 HB2 GLN B 770 16.225 20.448 16.087 1.00 24.40 H new ATOM 0 HB3 GLN B 770 15.562 19.088 16.463 1.00 24.40 H new ATOM 0 HG2 GLN B 770 15.673 18.388 14.205 1.00 26.24 H new ATOM 0 HG3 GLN B 770 16.286 19.763 13.796 1.00 26.24 H new ATOM 0 HE21 GLN B 770 18.024 18.341 12.950 1.00 41.44 H new ATOM 0 HE22 GLN B 770 19.146 17.940 13.845 1.00 41.44 H new ATOM 2105 N MET B 771 12.822 19.832 17.228 1.00 21.22 N ATOM 2106 CA MET B 771 12.048 20.148 18.455 1.00 21.48 C ATOM 2107 C MET B 771 12.854 20.316 19.733 1.00 19.88 C ATOM 2108 O MET B 771 12.654 19.657 20.750 1.00 19.99 O ATOM 2109 CB MET B 771 10.898 19.177 18.574 1.00 21.71 C ATOM 2110 CG MET B 771 9.934 19.176 17.439 1.00 20.89 C ATOM 2111 SD MET B 771 8.746 20.615 17.689 1.00 23.24 S ATOM 2112 CE MET B 771 7.527 19.779 18.644 1.00 23.86 C ATOM 0 H MET B 771 12.800 19.007 16.985 1.00 21.22 H new ATOM 0 HA MET B 771 11.699 21.046 18.343 1.00 21.48 H new ATOM 0 HB2 MET B 771 11.260 18.282 18.670 1.00 21.71 H new ATOM 0 HB3 MET B 771 10.412 19.375 19.390 1.00 21.71 H new ATOM 0 HG2 MET B 771 10.403 19.266 16.595 1.00 20.89 H new ATOM 0 HG3 MET B 771 9.449 18.337 17.406 1.00 20.89 H new ATOM 0 HE1 MET B 771 6.821 20.400 18.883 1.00 23.86 H new ATOM 0 HE2 MET B 771 7.154 19.049 18.125 1.00 23.86 H new ATOM 0 HE3 MET B 771 7.934 19.427 19.451 1.00 23.86 H new ATOM 2113 N LEU B 772 13.762 21.316 19.698 1.00 19.43 N ATOM 2114 CA LEU B 772 14.461 21.811 20.838 1.00 19.77 C ATOM 2115 C LEU B 772 13.415 22.459 21.809 1.00 19.45 C ATOM 2116 O LEU B 772 12.261 22.706 21.354 1.00 21.22 O ATOM 2117 CB LEU B 772 15.491 22.853 20.367 1.00 23.32 C ATOM 2118 CG LEU B 772 16.612 22.252 19.481 1.00 30.41 C ATOM 2119 CD1 LEU B 772 17.519 23.360 19.018 1.00 29.14 C ATOM 2120 CD2 LEU B 772 17.366 21.201 20.270 1.00 30.28 C ATOM 0 H LEU B 772 13.976 21.721 18.970 1.00 19.43 H new ATOM 0 HA LEU B 772 14.928 21.100 21.303 1.00 19.77 H new ATOM 0 HB2 LEU B 772 15.033 23.549 19.870 1.00 23.32 H new ATOM 0 HB3 LEU B 772 15.892 23.275 21.143 1.00 23.32 H new ATOM 0 HG LEU B 772 16.235 21.822 18.697 1.00 30.41 H new ATOM 0 HD11 LEU B 772 18.223 22.991 18.463 1.00 29.14 H new ATOM 0 HD12 LEU B 772 17.007 24.004 18.505 1.00 29.14 H new ATOM 0 HD13 LEU B 772 17.912 23.800 19.788 1.00 29.14 H new ATOM 0 HD21 LEU B 772 18.068 20.823 19.718 1.00 30.28 H new ATOM 0 HD22 LEU B 772 17.759 21.608 21.058 1.00 30.28 H new ATOM 0 HD23 LEU B 772 16.754 20.498 20.540 1.00 30.28 H new ATOM 2121 N PRO B 773 13.804 22.720 23.056 1.00 20.36 N ATOM 2122 CA PRO B 773 12.875 23.208 24.085 1.00 19.88 C ATOM 2123 C PRO B 773 12.033 24.419 23.605 1.00 21.22 C ATOM 2124 O PRO B 773 10.794 24.392 23.798 1.00 20.49 O ATOM 2125 CB PRO B 773 13.781 23.533 25.253 1.00 19.89 C ATOM 2126 CG PRO B 773 14.791 22.414 25.103 1.00 20.18 C ATOM 2127 CD PRO B 773 15.090 22.334 23.703 1.00 20.81 C ATOM 0 HA PRO B 773 12.197 22.555 24.319 1.00 19.88 H new ATOM 0 HB2 PRO B 773 14.184 24.412 25.179 1.00 19.89 H new ATOM 0 HB3 PRO B 773 13.317 23.505 26.104 1.00 19.89 H new ATOM 0 HG2 PRO B 773 15.592 22.598 25.619 1.00 20.18 H new ATOM 0 HG3 PRO B 773 14.430 21.575 25.429 1.00 20.18 H new ATOM 0 HD2 PRO B 773 15.810 22.935 23.456 1.00 20.81 H new ATOM 0 HD3 PRO B 773 15.366 21.440 23.446 1.00 20.81 H new ATOM 2128 N GLU B 774 12.639 25.405 22.944 1.00 22.46 N ATOM 2129 CA GLU B 774 11.822 26.589 22.499 1.00 24.79 C ATOM 2130 C GLU B 774 10.829 26.239 21.414 1.00 25.15 C ATOM 2131 O GLU B 774 9.698 26.780 21.376 1.00 22.67 O ATOM 2132 CB GLU B 774 12.683 27.828 22.150 1.00 24.16 C ATOM 2133 CG GLU B 774 13.282 28.426 23.439 1.00 26.38 C ATOM 2134 CD GLU B 774 14.062 29.752 23.277 1.00 32.88 C ATOM 2135 OE1 GLU B 774 14.298 30.226 22.126 1.00 31.97 O ATOM 2136 OE2 GLU B 774 14.480 30.272 24.341 1.00 33.93 O ATOM 0 H GLU B 774 13.475 25.430 22.742 1.00 22.46 H new ATOM 0 HA GLU B 774 11.295 26.849 23.271 1.00 24.79 H new ATOM 0 HB2 GLU B 774 13.393 27.577 21.539 1.00 24.16 H new ATOM 0 HB3 GLU B 774 12.141 28.492 21.697 1.00 24.16 H new ATOM 0 HG2 GLU B 774 12.561 28.571 24.072 1.00 26.38 H new ATOM 0 HG3 GLU B 774 13.877 27.768 23.833 1.00 26.38 H new ATOM 2137 N GLU B 775 11.184 25.370 20.477 1.00 21.71 N ATOM 2138 CA GLU B 775 10.322 25.027 19.399 1.00 21.65 C ATOM 2139 C GLU B 775 9.156 24.117 19.953 1.00 20.07 C ATOM 2140 O GLU B 775 8.026 24.239 19.466 1.00 20.53 O ATOM 2141 CB GLU B 775 11.034 24.253 18.286 1.00 24.79 C ATOM 2142 CG GLU B 775 12.193 24.977 17.576 1.00 35.06 C ATOM 2143 CD GLU B 775 11.984 26.444 17.232 1.00 48.28 C ATOM 2144 OE1 GLU B 775 10.953 26.803 16.623 1.00 53.02 O ATOM 2145 OE2 GLU B 775 12.905 27.230 17.535 1.00 53.24 O ATOM 0 H GLU B 775 11.944 24.967 20.463 1.00 21.71 H new ATOM 0 HA GLU B 775 9.993 25.858 19.022 1.00 21.65 H new ATOM 0 HB2 GLU B 775 11.377 23.428 18.662 1.00 24.79 H new ATOM 0 HB3 GLU B 775 10.375 24.008 17.618 1.00 24.79 H new ATOM 0 HG2 GLU B 775 12.981 24.908 18.138 1.00 35.06 H new ATOM 0 HG3 GLU B 775 12.388 24.500 16.754 1.00 35.06 H new ATOM 2146 N GLN B 776 9.458 23.258 20.929 1.00 19.46 N ATOM 2147 CA GLN B 776 8.461 22.391 21.600 1.00 19.40 C ATOM 2148 C GLN B 776 7.431 23.317 22.280 1.00 20.69 C ATOM 2149 O GLN B 776 6.224 23.121 22.097 1.00 19.65 O ATOM 2150 CB GLN B 776 9.184 21.512 22.667 1.00 21.44 C ATOM 2151 CG GLN B 776 8.309 20.663 23.579 1.00 21.46 C ATOM 2152 CD GLN B 776 7.753 19.439 22.948 1.00 22.07 C ATOM 2153 OE1 GLN B 776 8.341 18.845 22.020 1.00 22.22 O ATOM 2154 NE2 GLN B 776 6.600 19.031 23.448 1.00 21.65 N ATOM 0 H GLN B 776 10.257 23.155 21.230 1.00 19.46 H new ATOM 0 HA GLN B 776 8.019 21.805 20.966 1.00 19.40 H new ATOM 0 HB2 GLN B 776 9.797 20.921 22.203 1.00 21.44 H new ATOM 0 HB3 GLN B 776 9.721 22.097 23.225 1.00 21.44 H new ATOM 0 HG2 GLN B 776 8.830 20.403 24.355 1.00 21.46 H new ATOM 0 HG3 GLN B 776 7.574 21.208 23.900 1.00 21.46 H new ATOM 0 HE21 GLN B 776 6.229 19.470 24.088 1.00 21.65 H new ATOM 0 HE22 GLN B 776 6.220 18.326 23.134 1.00 21.65 H new ATOM 2155 N LEU B 777 7.935 24.371 22.934 1.00 19.37 N ATOM 2156 CA LEU B 777 7.048 25.318 23.610 1.00 22.38 C ATOM 2157 C LEU B 777 6.175 26.055 22.569 1.00 22.22 C ATOM 2158 O LEU B 777 4.959 26.249 22.801 1.00 20.78 O ATOM 2159 CB LEU B 777 7.843 26.294 24.455 1.00 21.58 C ATOM 2160 CG LEU B 777 6.992 27.112 25.392 1.00 25.76 C ATOM 2161 CD1 LEU B 777 6.470 26.235 26.565 1.00 24.60 C ATOM 2162 CD2 LEU B 777 7.784 28.259 26.041 1.00 27.20 C ATOM 0 H LEU B 777 8.774 24.551 22.996 1.00 19.37 H new ATOM 0 HA LEU B 777 6.462 24.828 24.208 1.00 22.38 H new ATOM 0 HB2 LEU B 777 8.500 25.802 24.972 1.00 21.58 H new ATOM 0 HB3 LEU B 777 8.333 26.892 23.870 1.00 21.58 H new ATOM 0 HG LEU B 777 6.267 27.463 24.852 1.00 25.76 H new ATOM 0 HD11 LEU B 777 5.925 26.777 27.157 1.00 24.60 H new ATOM 0 HD12 LEU B 777 5.936 25.506 26.212 1.00 24.60 H new ATOM 0 HD13 LEU B 777 7.223 25.874 27.059 1.00 24.60 H new ATOM 0 HD21 LEU B 777 7.202 28.759 26.634 1.00 27.20 H new ATOM 0 HD22 LEU B 777 8.526 27.894 26.548 1.00 27.20 H new ATOM 0 HD23 LEU B 777 8.125 28.849 25.350 1.00 27.20 H new ATOM 2163 N LYS B 778 6.768 26.494 21.457 1.00 20.65 N ATOM 2164 CA LYS B 778 5.962 27.177 20.422 1.00 19.24 C ATOM 2165 C LYS B 778 4.900 26.317 19.858 1.00 18.07 C ATOM 2166 O LYS B 778 3.752 26.762 19.582 1.00 20.50 O ATOM 2167 CB LYS B 778 6.893 27.768 19.372 1.00 20.08 C ATOM 2168 CG LYS B 778 7.711 28.904 19.872 1.00 24.16 C ATOM 2169 CD LYS B 778 8.737 29.383 18.817 1.00 30.35 C ATOM 2170 CE LYS B 778 9.327 30.706 19.201 1.00 41.13 C ATOM 2171 NZ LYS B 778 10.534 30.941 18.331 1.00 48.69 N ATOM 0 H LYS B 778 7.606 26.414 21.279 1.00 20.65 H new ATOM 0 HA LYS B 778 5.474 27.907 20.835 1.00 19.24 H new ATOM 0 HB2 LYS B 778 7.485 27.072 19.047 1.00 20.08 H new ATOM 0 HB3 LYS B 778 6.366 28.068 18.615 1.00 20.08 H new ATOM 0 HG2 LYS B 778 7.128 29.641 20.114 1.00 24.16 H new ATOM 0 HG3 LYS B 778 8.178 28.636 20.679 1.00 24.16 H new ATOM 0 HD2 LYS B 778 9.443 28.725 18.726 1.00 30.35 H new ATOM 0 HD3 LYS B 778 8.305 29.457 17.952 1.00 30.35 H new ATOM 0 HE2 LYS B 778 8.677 31.416 19.080 1.00 41.13 H new ATOM 0 HE3 LYS B 778 9.578 30.707 20.138 1.00 41.13 H new ATOM 0 HZ1 LYS B 778 10.903 31.723 18.540 1.00 48.69 H new ATOM 0 HZ2 LYS B 778 11.126 30.289 18.462 1.00 48.69 H new ATOM 0 HZ3 LYS B 778 10.287 30.950 17.476 1.00 48.69 H new ATOM 2172 N CYS B 779 5.145 25.000 19.679 1.00 16.60 N ATOM 2173 CA CYS B 779 4.133 24.147 19.206 1.00 18.36 C ATOM 2174 C CYS B 779 3.009 23.877 20.244 1.00 17.60 C ATOM 2175 O CYS B 779 1.811 23.798 19.841 1.00 17.01 O ATOM 2176 CB CYS B 779 4.686 22.780 18.759 1.00 19.10 C ATOM 2177 SG CYS B 779 5.693 22.902 17.249 1.00 21.45 S ATOM 0 H CYS B 779 5.899 24.618 19.835 1.00 16.60 H new ATOM 0 HA CYS B 779 3.758 24.627 18.451 1.00 18.36 H new ATOM 0 HB2 CYS B 779 5.222 22.401 19.473 1.00 19.10 H new ATOM 0 HB3 CYS B 779 3.948 22.170 18.605 1.00 19.10 H new ATOM 0 HG CYS B 779 6.659 22.198 17.354 1.00 21.45 H new ATOM 2178 N GLU B 780 3.419 23.750 21.527 1.00 16.15 N ATOM 2179 CA GLU B 780 2.449 23.680 22.635 1.00 15.54 C ATOM 2180 C GLU B 780 1.504 24.943 22.628 1.00 15.80 C ATOM 2181 O GLU B 780 0.282 24.771 22.770 1.00 16.64 O ATOM 2182 CB GLU B 780 3.132 23.534 23.974 1.00 16.88 C ATOM 2183 CG GLU B 780 3.762 22.174 24.150 1.00 18.99 C ATOM 2184 CD GLU B 780 4.836 22.024 25.179 1.00 21.39 C ATOM 2185 OE1 GLU B 780 5.349 23.084 25.681 1.00 23.30 O ATOM 2186 OE2 GLU B 780 5.249 20.780 25.482 1.00 25.44 O ATOM 0 H GLU B 780 4.243 23.704 21.769 1.00 16.15 H new ATOM 0 HA GLU B 780 1.909 22.886 22.497 1.00 15.54 H new ATOM 0 HB2 GLU B 780 3.814 24.218 24.063 1.00 16.88 H new ATOM 0 HB3 GLU B 780 2.486 23.683 24.682 1.00 16.88 H new ATOM 0 HG2 GLU B 780 3.055 21.545 24.365 1.00 18.99 H new ATOM 0 HG3 GLU B 780 4.131 21.905 23.294 1.00 18.99 H new ATOM 2187 N PHE B 781 2.098 26.101 22.428 1.00 16.01 N ATOM 2188 CA PHE B 781 1.330 27.380 22.392 1.00 17.06 C ATOM 2189 C PHE B 781 0.412 27.368 21.205 1.00 17.73 C ATOM 2190 O PHE B 781 -0.810 27.716 21.337 1.00 17.24 O ATOM 2191 CB PHE B 781 2.234 28.527 22.408 1.00 18.59 C ATOM 2192 CG PHE B 781 1.558 29.853 22.535 1.00 18.83 C ATOM 2193 CD1 PHE B 781 0.698 30.072 23.601 1.00 21.56 C ATOM 2194 CD2 PHE B 781 1.911 30.883 21.643 1.00 22.30 C ATOM 2195 CE1 PHE B 781 0.091 31.354 23.749 1.00 24.07 C ATOM 2196 CE2 PHE B 781 1.317 32.154 21.794 1.00 26.51 C ATOM 2197 CZ PHE B 781 0.444 32.368 22.862 1.00 24.72 C ATOM 0 H PHE B 781 2.945 26.192 22.308 1.00 16.01 H new ATOM 0 HA PHE B 781 0.781 27.464 23.187 1.00 17.06 H new ATOM 0 HB2 PHE B 781 2.856 28.423 23.145 1.00 18.59 H new ATOM 0 HB3 PHE B 781 2.758 28.522 21.592 1.00 18.59 H new ATOM 0 HD1 PHE B 781 0.520 29.393 24.211 1.00 21.56 H new ATOM 0 HD2 PHE B 781 2.527 30.728 20.964 1.00 22.30 H new ATOM 0 HE1 PHE B 781 -0.529 31.510 24.425 1.00 24.07 H new ATOM 0 HE2 PHE B 781 1.504 32.838 21.192 1.00 26.51 H new ATOM 0 HZ PHE B 781 0.086 33.217 22.986 1.00 24.72 H new ATOM 2198 N LEU B 782 0.887 26.938 20.030 1.00 18.02 N ATOM 2199 CA LEU B 782 0.055 26.863 18.883 1.00 19.58 C ATOM 2200 C LEU B 782 -1.147 25.957 19.097 1.00 20.56 C ATOM 2201 O LEU B 782 -2.282 26.208 18.680 1.00 19.26 O ATOM 2202 CB LEU B 782 0.909 26.452 17.632 1.00 19.86 C ATOM 2203 CG LEU B 782 0.249 26.289 16.329 1.00 22.01 C ATOM 2204 CD1 LEU B 782 -0.705 27.431 15.894 1.00 24.80 C ATOM 2205 CD2 LEU B 782 1.361 26.156 15.296 1.00 22.38 C ATOM 0 H LEU B 782 1.700 26.688 19.900 1.00 18.02 H new ATOM 0 HA LEU B 782 -0.317 27.743 18.717 1.00 19.58 H new ATOM 0 HB2 LEU B 782 1.606 27.118 17.524 1.00 19.86 H new ATOM 0 HB3 LEU B 782 1.348 25.613 17.843 1.00 19.86 H new ATOM 0 HG LEU B 782 -0.327 25.512 16.403 1.00 22.01 H new ATOM 0 HD11 LEU B 782 -1.084 27.223 15.026 1.00 24.80 H new ATOM 0 HD12 LEU B 782 -1.419 27.522 16.544 1.00 24.80 H new ATOM 0 HD13 LEU B 782 -0.210 28.263 15.839 1.00 24.80 H new ATOM 0 HD21 LEU B 782 0.972 26.046 14.414 1.00 22.38 H new ATOM 0 HD22 LEU B 782 1.912 26.954 15.308 1.00 22.38 H new ATOM 0 HD23 LEU B 782 1.908 25.383 15.507 1.00 22.38 H new ATOM 2206 N LEU B 783 -0.899 24.783 19.673 1.00 18.51 N ATOM 2207 CA LEU B 783 -1.984 23.838 19.900 1.00 17.05 C ATOM 2208 C LEU B 783 -2.997 24.476 20.906 1.00 17.02 C ATOM 2209 O LEU B 783 -4.223 24.335 20.708 1.00 16.78 O ATOM 2210 CB LEU B 783 -1.417 22.507 20.515 1.00 15.94 C ATOM 2211 CG LEU B 783 -2.425 21.447 20.834 1.00 18.31 C ATOM 2212 CD1 LEU B 783 -3.259 21.039 19.633 1.00 17.10 C ATOM 2213 CD2 LEU B 783 -1.726 20.187 21.368 1.00 18.67 C ATOM 0 H LEU B 783 -0.123 24.519 19.935 1.00 18.51 H new ATOM 0 HA LEU B 783 -2.422 23.637 19.058 1.00 17.05 H new ATOM 0 HB2 LEU B 783 -0.769 22.136 19.895 1.00 15.94 H new ATOM 0 HB3 LEU B 783 -0.937 22.727 21.329 1.00 15.94 H new ATOM 0 HG LEU B 783 -3.013 21.834 21.501 1.00 18.31 H new ATOM 0 HD11 LEU B 783 -3.892 20.353 19.896 1.00 17.10 H new ATOM 0 HD12 LEU B 783 -3.741 21.811 19.296 1.00 17.10 H new ATOM 0 HD13 LEU B 783 -2.678 20.692 18.938 1.00 17.10 H new ATOM 0 HD21 LEU B 783 -2.390 19.509 21.570 1.00 18.67 H new ATOM 0 HD22 LEU B 783 -1.113 19.848 20.697 1.00 18.67 H new ATOM 0 HD23 LEU B 783 -1.233 20.407 22.174 1.00 18.67 H new ATOM 2214 N LEU B 784 -2.447 25.131 21.938 1.00 17.46 N ATOM 2215 CA LEU B 784 -3.346 25.806 22.944 1.00 17.57 C ATOM 2216 C LEU B 784 -4.235 26.856 22.237 1.00 17.07 C ATOM 2217 O LEU B 784 -5.447 26.946 22.524 1.00 18.10 O ATOM 2218 CB LEU B 784 -2.585 26.382 24.061 1.00 18.91 C ATOM 2219 CG LEU B 784 -3.464 27.130 25.108 1.00 21.44 C ATOM 2220 CD1 LEU B 784 -2.900 26.886 26.489 1.00 21.88 C ATOM 2221 CD2 LEU B 784 -3.452 28.631 24.870 1.00 22.63 C ATOM 0 H LEU B 784 -1.603 25.205 22.085 1.00 17.46 H new ATOM 0 HA LEU B 784 -3.927 25.135 23.336 1.00 17.57 H new ATOM 0 HB2 LEU B 784 -2.099 25.672 24.509 1.00 18.91 H new ATOM 0 HB3 LEU B 784 -1.925 26.999 23.707 1.00 18.91 H new ATOM 0 HG LEU B 784 -4.372 26.798 25.026 1.00 21.44 H new ATOM 0 HD11 LEU B 784 -3.442 27.349 27.147 1.00 21.88 H new ATOM 0 HD12 LEU B 784 -2.906 25.935 26.678 1.00 21.88 H new ATOM 0 HD13 LEU B 784 -1.989 27.218 26.530 1.00 21.88 H new ATOM 0 HD21 LEU B 784 -4.006 29.069 25.535 1.00 22.63 H new ATOM 0 HD22 LEU B 784 -2.543 28.962 24.938 1.00 22.63 H new ATOM 0 HD23 LEU B 784 -3.799 28.821 23.984 1.00 22.63 H new ATOM 2222 N LYS B 785 -3.697 27.605 21.291 1.00 17.44 N ATOM 2223 CA LYS B 785 -4.507 28.628 20.525 1.00 18.48 C ATOM 2224 C LYS B 785 -5.633 28.001 19.798 1.00 19.64 C ATOM 2225 O LYS B 785 -6.723 28.567 19.709 1.00 21.13 O ATOM 2226 CB LYS B 785 -3.678 29.515 19.636 1.00 20.25 C ATOM 2227 CG LYS B 785 -2.700 30.394 20.366 1.00 23.04 C ATOM 2228 CD LYS B 785 -3.229 31.435 21.359 1.00 30.88 C ATOM 2229 CE LYS B 785 -4.196 32.418 20.762 1.00 36.43 C ATOM 2230 NZ LYS B 785 -3.614 33.435 19.886 1.00 45.35 N ATOM 0 H LYS B 785 -2.871 27.560 21.056 1.00 17.44 H new ATOM 0 HA LYS B 785 -4.885 29.221 21.194 1.00 18.48 H new ATOM 0 HB2 LYS B 785 -3.190 28.959 19.009 1.00 20.25 H new ATOM 0 HB3 LYS B 785 -4.272 30.076 19.114 1.00 20.25 H new ATOM 0 HG2 LYS B 785 -2.089 29.814 20.848 1.00 23.04 H new ATOM 0 HG3 LYS B 785 -2.177 30.866 19.699 1.00 23.04 H new ATOM 0 HD2 LYS B 785 -3.663 30.975 22.094 1.00 30.88 H new ATOM 0 HD3 LYS B 785 -2.478 31.922 21.733 1.00 30.88 H new ATOM 0 HE2 LYS B 785 -4.862 31.925 20.258 1.00 36.43 H new ATOM 0 HE3 LYS B 785 -4.662 32.867 21.485 1.00 36.43 H new ATOM 0 HZ1 LYS B 785 -4.214 34.074 19.733 1.00 45.35 H new ATOM 0 HZ2 LYS B 785 -2.897 33.789 20.277 1.00 45.35 H new ATOM 0 HZ3 LYS B 785 -3.376 33.061 19.114 1.00 45.35 H new ATOM 2231 N VAL B 786 -5.464 26.795 19.237 1.00 17.09 N ATOM 2232 CA VAL B 786 -6.545 26.106 18.609 1.00 17.66 C ATOM 2233 C VAL B 786 -7.638 25.718 19.630 1.00 19.02 C ATOM 2234 O VAL B 786 -8.834 25.871 19.370 1.00 18.63 O ATOM 2235 CB VAL B 786 -6.070 24.910 17.786 1.00 18.93 C ATOM 2236 CG1 VAL B 786 -7.212 24.069 17.261 1.00 19.49 C ATOM 2237 CG2 VAL B 786 -5.123 25.389 16.665 1.00 19.86 C ATOM 0 H VAL B 786 -4.715 26.373 19.221 1.00 17.09 H new ATOM 0 HA VAL B 786 -6.949 26.724 17.980 1.00 17.66 H new ATOM 0 HB VAL B 786 -5.573 24.320 18.373 1.00 18.93 H new ATOM 0 HG11 VAL B 786 -6.858 23.326 16.748 1.00 19.49 H new ATOM 0 HG12 VAL B 786 -7.732 23.728 18.006 1.00 19.49 H new ATOM 0 HG13 VAL B 786 -7.780 24.613 16.693 1.00 19.49 H new ATOM 0 HG21 VAL B 786 -4.824 24.626 16.146 1.00 19.86 H new ATOM 0 HG22 VAL B 786 -5.594 26.009 16.087 1.00 19.86 H new ATOM 0 HG23 VAL B 786 -4.355 25.833 17.058 1.00 19.86 H new ATOM 2238 N TYR B 787 -7.235 25.101 20.767 1.00 16.65 N ATOM 2239 CA TYR B 787 -8.192 24.739 21.821 1.00 17.24 C ATOM 2240 C TYR B 787 -8.950 25.999 22.337 1.00 17.35 C ATOM 2241 O TYR B 787 -10.105 25.768 22.818 1.00 22.20 O ATOM 2242 CB TYR B 787 -7.437 23.986 22.951 1.00 17.04 C ATOM 2243 CG TYR B 787 -7.216 22.520 22.802 1.00 18.59 C ATOM 2244 CD1 TYR B 787 -8.166 21.605 23.024 1.00 19.33 C ATOM 2245 CD2 TYR B 787 -5.964 22.010 22.443 1.00 16.78 C ATOM 2246 CE1 TYR B 787 -7.937 20.216 22.966 1.00 20.46 C ATOM 2247 CE2 TYR B 787 -5.765 20.680 22.398 1.00 17.84 C ATOM 2248 CZ TYR B 787 -6.715 19.773 22.621 1.00 18.90 C ATOM 2249 OH TYR B 787 -6.433 18.414 22.606 1.00 19.46 O ATOM 0 H TYR B 787 -6.419 24.889 20.937 1.00 16.65 H new ATOM 0 HA TYR B 787 -8.871 24.144 21.466 1.00 17.24 H new ATOM 0 HB2 TYR B 787 -6.569 24.406 23.057 1.00 17.04 H new ATOM 0 HB3 TYR B 787 -7.924 24.129 23.778 1.00 17.04 H new ATOM 0 HD1 TYR B 787 -9.024 21.902 23.228 1.00 19.33 H new ATOM 0 HD2 TYR B 787 -5.268 22.591 22.235 1.00 16.78 H new ATOM 0 HE1 TYR B 787 -8.619 19.616 23.163 1.00 20.46 H new ATOM 0 HE2 TYR B 787 -4.910 20.374 22.198 1.00 17.84 H new ATOM 0 HH TYR B 787 -7.139 17.980 22.741 1.00 19.46 H new ATOM 2250 N CYS B 788 -8.343 27.180 22.269 1.00 16.62 N ATOM 2251 CA CYS B 788 -9.037 28.430 22.740 1.00 19.81 C ATOM 2252 C CYS B 788 -10.281 28.716 21.941 1.00 23.60 C ATOM 2253 O CYS B 788 -11.217 29.353 22.409 1.00 25.27 O ATOM 2254 CB CYS B 788 -8.087 29.604 22.745 1.00 20.83 C ATOM 2255 SG CYS B 788 -6.878 29.579 24.066 1.00 23.21 S ATOM 0 H CYS B 788 -7.548 27.301 21.964 1.00 16.62 H new ATOM 0 HA CYS B 788 -9.324 28.281 23.654 1.00 19.81 H new ATOM 0 HB2 CYS B 788 -7.620 29.631 21.895 1.00 20.83 H new ATOM 0 HB3 CYS B 788 -8.603 30.423 22.810 1.00 20.83 H new ATOM 0 HG CYS B 788 -6.086 28.699 23.868 1.00 23.21 H new ATOM 2256 N ASP B 789 -10.343 28.243 20.716 1.00 19.76 N ATOM 2257 CA ASP B 789 -11.561 28.402 19.904 1.00 21.73 C ATOM 2258 C ASP B 789 -12.655 27.475 20.275 1.00 22.27 C ATOM 2259 O ASP B 789 -12.472 26.306 20.397 1.00 22.41 O ATOM 2260 CB ASP B 789 -11.255 28.271 18.422 1.00 22.90 C ATOM 2261 CG ASP B 789 -12.392 28.916 17.560 1.00 27.97 C ATOM 2262 OD1 ASP B 789 -13.475 28.334 17.435 1.00 27.99 O ATOM 2263 OD2 ASP B 789 -12.203 30.103 17.211 1.00 33.63 O ATOM 0 H ASP B 789 -9.701 27.826 20.324 1.00 19.76 H new ATOM 0 HA ASP B 789 -11.878 29.299 20.094 1.00 21.73 H new ATOM 0 HB2 ASP B 789 -10.409 28.701 18.223 1.00 22.90 H new ATOM 0 HB3 ASP B 789 -11.159 27.334 18.189 1.00 22.90 H new ATOM 2264 N SER B 790 -13.916 27.962 20.437 1.00 22.32 N ATOM 2265 CA SER B 790 -14.930 27.057 20.922 1.00 23.76 C ATOM 2266 C SER B 790 -15.230 25.904 19.944 1.00 22.80 C ATOM 2267 O SER B 790 -15.654 24.793 20.350 1.00 24.32 O ATOM 2268 CB SER B 790 -16.226 27.816 21.274 1.00 30.03 C ATOM 2269 OG SER B 790 -16.624 28.442 20.067 1.00 37.28 O ATOM 0 H SER B 790 -14.171 28.768 20.276 1.00 22.32 H new ATOM 0 HA SER B 790 -14.570 26.654 21.728 1.00 23.76 H new ATOM 0 HB2 SER B 790 -16.911 27.210 21.598 1.00 30.03 H new ATOM 0 HB3 SER B 790 -16.071 28.469 21.974 1.00 30.03 H new ATOM 0 HG SER B 790 -16.493 29.270 20.124 1.00 37.28 H new ATOM 2270 N LYS B 791 -14.962 26.150 18.653 1.00 21.85 N ATOM 2271 CA LYS B 791 -15.256 25.181 17.620 1.00 21.88 C ATOM 2272 C LYS B 791 -14.232 24.025 17.624 1.00 21.82 C ATOM 2273 O LYS B 791 -14.437 23.018 16.996 1.00 22.84 O ATOM 2274 CB LYS B 791 -15.145 25.886 16.247 1.00 24.23 C ATOM 2275 CG LYS B 791 -16.333 26.809 15.890 1.00 28.51 C ATOM 2276 CD LYS B 791 -15.971 27.815 14.776 1.00 33.90 C ATOM 2277 CE LYS B 791 -17.169 28.712 14.454 1.00 33.33 C ATOM 2278 NZ LYS B 791 -18.322 28.069 13.744 1.00 38.58 N ATOM 0 H LYS B 791 -14.608 26.879 18.366 1.00 21.85 H new ATOM 0 HA LYS B 791 -16.144 24.824 17.781 1.00 21.88 H new ATOM 0 HB2 LYS B 791 -14.329 26.411 16.233 1.00 24.23 H new ATOM 0 HB3 LYS B 791 -15.059 25.210 15.557 1.00 24.23 H new ATOM 0 HG2 LYS B 791 -17.086 26.269 15.604 1.00 28.51 H new ATOM 0 HG3 LYS B 791 -16.615 27.293 16.682 1.00 28.51 H new ATOM 0 HD2 LYS B 791 -15.219 28.359 15.056 1.00 33.90 H new ATOM 0 HD3 LYS B 791 -15.694 27.337 13.979 1.00 33.90 H new ATOM 0 HE2 LYS B 791 -17.498 29.088 15.286 1.00 33.33 H new ATOM 0 HE3 LYS B 791 -16.855 29.453 13.912 1.00 33.33 H new ATOM 0 HZ1 LYS B 791 -19.019 28.623 13.747 1.00 38.58 H new ATOM 0 HZ2 LYS B 791 -18.090 27.889 12.904 1.00 38.58 H new ATOM 0 HZ3 LYS B 791 -18.542 27.313 14.159 1.00 38.58 H new ATOM 2279 N SER B 792 -13.162 24.196 18.387 1.00 22.14 N ATOM 2280 CA SER B 792 -12.232 23.059 18.599 1.00 20.66 C ATOM 2281 C SER B 792 -12.872 21.814 19.179 1.00 23.80 C ATOM 2282 O SER B 792 -12.296 20.681 19.062 1.00 21.55 O ATOM 2283 CB SER B 792 -11.042 23.533 19.462 1.00 20.22 C ATOM 2284 OG SER B 792 -11.392 23.746 20.813 1.00 20.09 O ATOM 0 H SER B 792 -12.949 24.928 18.784 1.00 22.14 H new ATOM 0 HA SER B 792 -11.926 22.783 17.721 1.00 20.66 H new ATOM 0 HB2 SER B 792 -10.333 22.873 19.417 1.00 20.22 H new ATOM 0 HB3 SER B 792 -10.687 24.356 19.091 1.00 20.22 H new ATOM 0 HG SER B 792 -11.748 24.502 20.894 1.00 20.09 H new ATOM 2285 N CYS B 793 -14.066 21.937 19.829 1.00 21.96 N ATOM 2286 CA CYS B 793 -14.741 20.781 20.418 1.00 25.70 C ATOM 2287 C CYS B 793 -14.988 19.661 19.428 1.00 23.42 C ATOM 2288 O CYS B 793 -14.893 18.489 19.800 1.00 23.18 O ATOM 2289 CB CYS B 793 -16.057 21.205 21.142 1.00 29.39 C ATOM 2290 SG CYS B 793 -17.342 21.852 20.072 1.00 30.34 S ATOM 0 H CYS B 793 -14.484 22.682 19.930 1.00 21.96 H new ATOM 0 HA CYS B 793 -14.132 20.420 21.081 1.00 25.70 H new ATOM 0 HB2 CYS B 793 -16.409 20.437 21.618 1.00 29.39 H new ATOM 0 HB3 CYS B 793 -15.841 21.877 21.807 1.00 29.39 H new ATOM 0 HG CYS B 793 -17.120 23.007 19.833 1.00 30.34 H new ATOM 2291 N PHE B 794 -15.249 20.029 18.157 1.00 20.94 N ATOM 2292 CA PHE B 794 -15.558 19.115 17.126 1.00 19.78 C ATOM 2293 C PHE B 794 -14.362 18.200 16.749 1.00 20.06 C ATOM 2294 O PHE B 794 -14.575 17.145 16.180 1.00 22.89 O ATOM 2295 CB PHE B 794 -16.060 19.818 15.878 1.00 22.87 C ATOM 2296 CG PHE B 794 -17.416 20.571 16.077 1.00 20.47 C ATOM 2297 CD1 PHE B 794 -18.527 19.843 16.371 1.00 22.73 C ATOM 2298 CD2 PHE B 794 -17.483 21.930 15.926 1.00 22.19 C ATOM 2299 CE1 PHE B 794 -19.781 20.477 16.517 1.00 22.23 C ATOM 2300 CE2 PHE B 794 -18.721 22.608 16.081 1.00 24.58 C ATOM 2301 CZ PHE B 794 -19.849 21.839 16.362 1.00 22.41 C ATOM 0 H PHE B 794 -15.243 20.849 17.897 1.00 20.94 H new ATOM 0 HA PHE B 794 -16.265 18.556 17.485 1.00 19.78 H new ATOM 0 HB2 PHE B 794 -15.388 20.452 15.582 1.00 22.87 H new ATOM 0 HB3 PHE B 794 -16.164 19.164 15.169 1.00 22.87 H new ATOM 0 HD1 PHE B 794 -18.461 18.921 16.477 1.00 22.73 H new ATOM 0 HD2 PHE B 794 -16.714 22.411 15.721 1.00 22.19 H new ATOM 0 HE1 PHE B 794 -20.544 19.982 16.714 1.00 22.23 H new ATOM 0 HE2 PHE B 794 -18.777 23.533 15.998 1.00 24.58 H new ATOM 0 HZ PHE B 794 -20.673 22.262 16.447 1.00 22.41 H new ATOM 2302 N PHE B 795 -13.173 18.689 17.077 1.00 20.45 N ATOM 2303 CA PHE B 795 -11.911 18.096 16.590 1.00 17.46 C ATOM 2304 C PHE B 795 -11.102 17.550 17.771 1.00 22.58 C ATOM 2305 O PHE B 795 -9.990 17.062 17.518 1.00 21.25 O ATOM 2306 CB PHE B 795 -11.119 19.158 15.914 1.00 19.97 C ATOM 2307 CG PHE B 795 -11.859 19.724 14.712 1.00 21.34 C ATOM 2308 CD1 PHE B 795 -11.980 18.945 13.570 1.00 20.83 C ATOM 2309 CD2 PHE B 795 -12.461 20.937 14.769 1.00 23.97 C ATOM 2310 CE1 PHE B 795 -12.689 19.380 12.474 1.00 22.42 C ATOM 2311 CE2 PHE B 795 -13.200 21.379 13.661 1.00 22.77 C ATOM 2312 CZ PHE B 795 -13.301 20.597 12.529 1.00 21.95 C ATOM 0 H PHE B 795 -13.065 19.373 17.587 1.00 20.45 H new ATOM 0 HA PHE B 795 -12.107 17.373 15.974 1.00 17.46 H new ATOM 0 HB2 PHE B 795 -10.928 19.871 16.543 1.00 19.97 H new ATOM 0 HB3 PHE B 795 -10.266 18.795 15.629 1.00 19.97 H new ATOM 0 HD1 PHE B 795 -11.572 18.109 13.545 1.00 20.83 H new ATOM 0 HD2 PHE B 795 -12.386 21.467 15.529 1.00 23.97 H new ATOM 0 HE1 PHE B 795 -12.750 18.854 11.710 1.00 22.42 H new ATOM 0 HE2 PHE B 795 -13.625 22.206 13.690 1.00 22.77 H new ATOM 0 HZ PHE B 795 -13.790 20.902 11.799 1.00 21.95 H new ATOM 2313 N ALA B 796 -11.623 17.606 18.986 1.00 20.08 N ATOM 2314 CA ALA B 796 -10.799 17.274 20.235 1.00 20.18 C ATOM 2315 C ALA B 796 -10.640 15.783 20.405 1.00 21.04 C ATOM 2316 O ALA B 796 -9.534 15.320 20.704 1.00 20.78 O ATOM 2317 CB ALA B 796 -11.393 17.898 21.492 1.00 22.21 C ATOM 0 H ALA B 796 -12.438 17.827 19.148 1.00 20.08 H new ATOM 0 HA ALA B 796 -9.919 17.661 20.104 1.00 20.18 H new ATOM 0 HB1 ALA B 796 -10.846 17.666 22.258 1.00 22.21 H new ATOM 0 HB2 ALA B 796 -11.419 18.863 21.394 1.00 22.21 H new ATOM 0 HB3 ALA B 796 -12.294 17.563 21.625 1.00 22.21 H new ATOM 2318 N SER B 797 -11.711 15.018 20.278 1.00 21.45 N ATOM 2319 CA SER B 797 -11.775 13.604 20.579 1.00 23.58 C ATOM 2320 C SER B 797 -11.791 12.758 19.321 1.00 25.56 C ATOM 2321 O SER B 797 -11.940 13.288 18.226 1.00 25.69 O ATOM 2322 CB SER B 797 -13.065 13.334 21.419 1.00 28.52 C ATOM 2323 OG SER B 797 -12.831 13.858 22.685 1.00 40.44 O ATOM 0 H SER B 797 -12.462 15.330 19.998 1.00 21.45 H new ATOM 0 HA SER B 797 -10.982 13.357 21.080 1.00 23.58 H new ATOM 0 HB2 SER B 797 -13.837 13.754 21.009 1.00 28.52 H new ATOM 0 HB3 SER B 797 -13.252 12.383 21.468 1.00 28.52 H new ATOM 0 HG SER B 797 -13.506 13.733 23.169 1.00 40.44 H new ATOM 2324 N GLU B 798 -11.629 11.453 19.478 1.00 26.06 N ATOM 2325 CA GLU B 798 -11.621 10.501 18.367 1.00 27.13 C ATOM 2326 C GLU B 798 -12.931 10.562 17.581 1.00 33.58 C ATOM 2327 O GLU B 798 -14.031 10.431 18.155 1.00 33.78 O ATOM 2328 CB GLU B 798 -11.411 9.098 18.846 1.00 34.26 C ATOM 2329 CG GLU B 798 -11.000 8.128 17.746 1.00 39.63 C ATOM 2330 CD GLU B 798 -10.667 6.737 18.301 1.00 46.17 C ATOM 2331 OE1 GLU B 798 -10.318 5.892 17.483 1.00 57.40 O ATOM 2332 OE2 GLU B 798 -10.778 6.472 19.531 1.00 47.31 O ATOM 0 H GLU B 798 -11.518 11.084 20.247 1.00 26.06 H new ATOM 0 HA GLU B 798 -10.883 10.753 17.790 1.00 27.13 H new ATOM 0 HB2 GLU B 798 -10.729 9.099 19.536 1.00 34.26 H new ATOM 0 HB3 GLU B 798 -12.230 8.780 19.257 1.00 34.26 H new ATOM 0 HG2 GLU B 798 -11.717 8.053 17.097 1.00 39.63 H new ATOM 0 HG3 GLU B 798 -10.228 8.481 17.276 1.00 39.63 H new ATOM 2333 N PRO B 799 -12.834 10.836 16.284 1.00 32.41 N ATOM 2334 CA PRO B 799 -14.075 10.991 15.563 1.00 38.89 C ATOM 2335 C PRO B 799 -14.667 9.630 15.304 1.00 40.12 C ATOM 2336 O PRO B 799 -13.938 8.613 15.216 1.00 36.15 O ATOM 2337 CB PRO B 799 -13.666 11.711 14.250 1.00 41.19 C ATOM 2338 CG PRO B 799 -12.241 11.488 14.097 1.00 40.10 C ATOM 2339 CD PRO B 799 -11.667 11.213 15.480 1.00 37.44 C ATOM 0 HA PRO B 799 -14.750 11.497 16.042 1.00 38.89 H new ATOM 0 HB2 PRO B 799 -14.156 11.355 13.492 1.00 41.19 H new ATOM 0 HB3 PRO B 799 -13.866 12.659 14.297 1.00 41.19 H new ATOM 0 HG2 PRO B 799 -12.075 10.738 13.504 1.00 40.10 H new ATOM 0 HG3 PRO B 799 -11.815 12.264 13.700 1.00 40.10 H new ATOM 0 HD2 PRO B 799 -11.008 10.501 15.455 1.00 37.44 H new ATOM 0 HD3 PRO B 799 -11.225 11.996 15.843 1.00 37.44 H new ATOM 2340 N TYR B 800 -15.996 9.633 15.262 1.00 48.34 N ATOM 2341 CA TYR B 800 -16.777 8.501 14.773 1.00 56.63 C ATOM 2342 C TYR B 800 -17.073 8.729 13.262 1.00 56.37 C ATOM 2343 O TYR B 800 -17.589 9.799 12.845 1.00 56.42 O ATOM 2344 CB TYR B 800 -18.081 8.413 15.543 1.00 60.27 C ATOM 2345 CG TYR B 800 -18.939 7.300 15.057 1.00 76.95 C ATOM 2346 CD1 TYR B 800 -18.559 5.979 15.268 1.00 85.18 C ATOM 2347 CD2 TYR B 800 -20.127 7.556 14.353 1.00 90.20 C ATOM 2348 CE1 TYR B 800 -19.337 4.935 14.812 1.00 91.43 C ATOM 2349 CE2 TYR B 800 -20.918 6.517 13.887 1.00 95.53 C ATOM 2350 CZ TYR B 800 -20.516 5.207 14.121 1.00101.13 C ATOM 2351 OH TYR B 800 -21.295 4.175 13.669 1.00113.08 O ATOM 0 H TYR B 800 -16.475 10.299 15.519 1.00 48.34 H new ATOM 0 HA TYR B 800 -16.285 7.674 14.896 1.00 56.63 H new ATOM 0 HB2 TYR B 800 -17.891 8.286 16.486 1.00 60.27 H new ATOM 0 HB3 TYR B 800 -18.562 9.251 15.460 1.00 60.27 H new ATOM 0 HD1 TYR B 800 -17.769 5.797 15.723 1.00 85.18 H new ATOM 0 HD2 TYR B 800 -20.387 8.435 14.197 1.00 90.20 H new ATOM 0 HE1 TYR B 800 -19.076 4.055 14.965 1.00 91.43 H new ATOM 0 HE2 TYR B 800 -21.705 6.694 13.425 1.00 95.53 H new ATOM 0 HH TYR B 800 -21.969 4.484 13.275 1.00113.08 H new ATOM 2352 N TYR B 801 -16.718 7.752 12.443 1.00 49.34 N ATOM 2353 CA TYR B 801 -16.995 7.846 11.022 1.00 53.71 C ATOM 2354 C TYR B 801 -18.065 6.798 10.587 1.00 61.24 C ATOM 2355 O TYR B 801 -19.283 7.054 10.738 1.00 58.82 O ATOM 2356 CB TYR B 801 -15.690 7.725 10.243 1.00 44.42 C ATOM 2357 CG TYR B 801 -14.745 8.880 10.401 1.00 38.45 C ATOM 2358 CD1 TYR B 801 -15.168 10.182 10.255 1.00 32.95 C ATOM 2359 CD2 TYR B 801 -13.412 8.655 10.675 1.00 43.55 C ATOM 2360 CE1 TYR B 801 -14.300 11.236 10.351 1.00 32.16 C ATOM 2361 CE2 TYR B 801 -12.523 9.731 10.793 1.00 40.63 C ATOM 2362 CZ TYR B 801 -13.000 11.005 10.603 1.00 32.78 C ATOM 2363 OH TYR B 801 -12.154 12.043 10.736 1.00 39.59 O ATOM 0 H TYR B 801 -16.318 7.031 12.688 1.00 49.34 H new ATOM 0 HA TYR B 801 -17.379 8.714 10.820 1.00 53.71 H new ATOM 0 HB2 TYR B 801 -15.237 6.914 10.522 1.00 44.42 H new ATOM 0 HB3 TYR B 801 -15.900 7.623 9.301 1.00 44.42 H new ATOM 0 HD1 TYR B 801 -16.067 10.350 10.087 1.00 32.95 H new ATOM 0 HD2 TYR B 801 -13.102 7.785 10.782 1.00 43.55 H new ATOM 0 HE1 TYR B 801 -14.608 12.107 10.243 1.00 32.16 H new ATOM 0 HE2 TYR B 801 -11.627 9.586 10.996 1.00 40.63 H new ATOM 0 HH TYR B 801 -12.460 12.708 10.324 1.00 39.59 H new ATOM 2364 N ASN B 802 -17.593 5.654 10.072 1.00 65.42 N ATOM 2365 CA ASN B 802 -18.394 4.554 9.534 1.00 67.49 C ATOM 2366 C ASN B 802 -18.097 3.351 10.458 1.00 79.44 C ATOM 2367 O ASN B 802 -17.158 2.602 10.181 1.00 95.22 O ATOM 2368 CB ASN B 802 -17.941 4.191 8.069 1.00 60.21 C ATOM 2369 CG ASN B 802 -17.919 5.398 7.074 1.00 44.48 C ATOM 2370 OD1 ASN B 802 -18.919 6.029 6.848 1.00 40.11 O ATOM 2371 ND2 ASN B 802 -16.770 5.660 6.441 1.00 40.98 N ATOM 0 H ASN B 802 -16.749 5.495 10.027 1.00 65.42 H new ATOM 0 HA ASN B 802 -19.334 4.789 9.501 1.00 67.49 H new ATOM 0 HB2 ASN B 802 -17.054 3.801 8.105 1.00 60.21 H new ATOM 0 HB3 ASN B 802 -18.536 3.510 7.719 1.00 60.21 H new ATOM 0 HD21 ASN B 802 -16.735 6.291 5.858 1.00 40.98 H new ATOM 0 HD22 ASN B 802 -16.067 5.197 6.617 1.00 40.98 H new ATOM 2372 N ARG B 803 -18.838 3.169 11.556 1.00 96.86 N ATOM 2373 CA ARG B 803 -18.560 2.038 12.479 1.00106.51 C ATOM 2374 C ARG B 803 -18.787 0.706 11.770 1.00104.42 C ATOM 2375 O ARG B 803 -19.880 0.495 11.258 1.00101.68 O ATOM 2376 CB ARG B 803 -19.450 2.043 13.719 1.00106.57 C ATOM 0 H ARG B 803 -19.495 3.673 11.789 1.00 96.86 H new ATOM 0 HA ARG B 803 -17.636 2.147 12.754 1.00106.51 H new ATOM 2377 N GLU B 804 -17.791 -0.183 11.696 1.00114.04 N ATOM 2378 CA GLU B 804 -16.382 0.069 12.057 1.00114.76 C ATOM 2379 C GLU B 804 -15.496 -0.544 10.967 1.00116.50 C ATOM 2380 O GLU B 804 -15.045 0.184 10.070 1.00118.61 O ATOM 2381 CB GLU B 804 -16.050 -0.467 13.462 1.00104.50 C ATOM 0 H GLU B 804 -17.921 -0.988 11.422 1.00114.04 H new ATOM 0 HA GLU B 804 -16.215 1.023 12.102 1.00114.76 H new ATOM 2382 N GLY B 805 -15.280 -1.865 11.017 1.00114.10 N ATOM 2383 CA GLY B 805 -14.389 -2.557 10.077 1.00110.02 C ATOM 2384 C GLY B 805 -13.074 -1.815 9.870 1.00114.71 C ATOM 2385 O GLY B 805 -12.490 -1.295 10.829 1.00127.31 O ATOM 0 H GLY B 805 -15.646 -2.384 11.597 1.00114.10 H new ATOM 0 HA2 GLY B 805 -14.205 -3.450 10.408 1.00110.02 H new ATOM 0 HA3 GLY B 805 -14.839 -2.658 9.223 1.00110.02 H new ATOM 2386 N SER B 806 -12.622 -1.763 8.616 1.00114.29 N ATOM 2387 CA SER B 806 -11.497 -0.914 8.197 1.00105.95 C ATOM 2388 C SER B 806 -11.962 0.368 7.439 1.00102.73 C ATOM 2389 O SER B 806 -11.133 1.042 6.813 1.00105.52 O ATOM 2390 CB SER B 806 -10.506 -1.734 7.347 1.00 97.66 C ATOM 0 H SER B 806 -12.962 -2.224 7.975 1.00114.29 H new ATOM 0 HA SER B 806 -11.048 -0.607 9.000 1.00105.95 H new ATOM 2391 N GLN B 807 -13.249 0.746 7.550 1.00 89.25 N ATOM 2392 CA GLN B 807 -13.819 1.867 6.758 1.00 82.41 C ATOM 2393 C GLN B 807 -13.448 3.300 7.247 1.00 60.18 C ATOM 2394 O GLN B 807 -14.004 4.292 6.765 1.00 55.65 O ATOM 2395 CB GLN B 807 -15.356 1.715 6.641 1.00 82.08 C ATOM 0 H GLN B 807 -13.812 0.368 8.078 1.00 89.25 H new ATOM 0 HA GLN B 807 -13.400 1.791 5.886 1.00 82.41 H new ATOM 2396 N GLY B 808 -12.550 3.418 8.227 1.00 52.55 N ATOM 2397 CA GLY B 808 -11.997 4.719 8.596 1.00 46.01 C ATOM 2398 C GLY B 808 -10.924 5.210 7.604 1.00 42.95 C ATOM 2399 O GLY B 808 -10.487 4.476 6.693 1.00 43.96 O ATOM 0 H GLY B 808 -12.250 2.757 8.689 1.00 52.55 H new ATOM 0 HA2 GLY B 808 -12.714 5.371 8.640 1.00 46.01 H new ATOM 0 HA3 GLY B 808 -11.610 4.662 9.484 1.00 46.01 H new ATOM 2400 N PRO B 809 -10.458 6.449 7.799 1.00 38.61 N ATOM 2401 CA PRO B 809 -9.483 7.012 6.881 1.00 38.12 C ATOM 2402 C PRO B 809 -8.110 6.382 7.087 1.00 41.39 C ATOM 2403 O PRO B 809 -7.886 5.684 8.122 1.00 38.81 O ATOM 2404 CB PRO B 809 -9.387 8.502 7.298 1.00 38.13 C ATOM 2405 CG PRO B 809 -9.723 8.487 8.761 1.00 38.52 C ATOM 2406 CD PRO B 809 -10.665 7.301 8.992 1.00 42.12 C ATOM 0 HA PRO B 809 -9.743 6.869 5.957 1.00 38.12 H new ATOM 0 HB2 PRO B 809 -8.499 8.859 7.140 1.00 38.13 H new ATOM 0 HB3 PRO B 809 -10.008 9.053 6.796 1.00 38.13 H new ATOM 0 HG2 PRO B 809 -8.919 8.396 9.297 1.00 38.52 H new ATOM 0 HG3 PRO B 809 -10.147 9.319 9.024 1.00 38.52 H new ATOM 0 HD2 PRO B 809 -10.447 6.827 9.810 1.00 42.12 H new ATOM 0 HD3 PRO B 809 -11.588 7.589 9.068 1.00 42.12 H new ATOM 2407 N GLN B 810 -7.199 6.778 6.201 1.00 40.76 N ATOM 2408 CA GLN B 810 -5.847 6.212 6.170 1.00 50.04 C ATOM 2409 C GLN B 810 -5.133 6.448 7.512 1.00 45.41 C ATOM 2410 O GLN B 810 -4.503 5.523 8.079 1.00 43.39 O ATOM 2411 CB GLN B 810 -5.038 6.813 5.012 1.00 57.62 C ATOM 2412 CG GLN B 810 -3.725 6.079 4.740 1.00 71.71 C ATOM 2413 CD GLN B 810 -2.719 6.952 3.997 1.00 80.95 C ATOM 2414 OE1 GLN B 810 -2.260 7.979 4.514 1.00 87.80 O ATOM 2415 NE2 GLN B 810 -2.371 6.552 2.786 1.00 84.59 N ATOM 0 H GLN B 810 -7.344 7.379 5.603 1.00 40.76 H new ATOM 0 HA GLN B 810 -5.918 5.255 6.027 1.00 50.04 H new ATOM 0 HB2 GLN B 810 -5.580 6.800 4.208 1.00 57.62 H new ATOM 0 HB3 GLN B 810 -4.845 7.743 5.210 1.00 57.62 H new ATOM 0 HG2 GLN B 810 -3.339 5.788 5.581 1.00 71.71 H new ATOM 0 HG3 GLN B 810 -3.905 5.281 4.219 1.00 71.71 H new ATOM 0 HE21 GLN B 810 -2.709 5.833 2.457 1.00 84.59 H new ATOM 0 HE22 GLN B 810 -1.806 7.011 2.327 1.00 84.59 H new ATOM 2416 N LYS B 811 -5.222 7.672 8.024 1.00 34.06 N ATOM 2417 CA LYS B 811 -4.720 7.963 9.352 1.00 33.52 C ATOM 2418 C LYS B 811 -5.684 8.906 10.130 1.00 27.43 C ATOM 2419 O LYS B 811 -5.726 10.079 9.802 1.00 27.09 O ATOM 2420 CB LYS B 811 -3.370 8.635 9.222 1.00 36.85 C ATOM 2421 CG LYS B 811 -2.685 8.874 10.560 1.00 38.16 C ATOM 2422 CD LYS B 811 -1.250 9.288 10.322 1.00 41.76 C ATOM 2423 CE LYS B 811 -0.680 9.781 11.613 1.00 41.72 C ATOM 2424 NZ LYS B 811 0.693 10.329 11.491 1.00 46.36 N ATOM 0 H LYS B 811 -5.570 8.344 7.616 1.00 34.06 H new ATOM 0 HA LYS B 811 -4.648 7.131 9.845 1.00 33.52 H new ATOM 0 HB2 LYS B 811 -2.795 8.087 8.665 1.00 36.85 H new ATOM 0 HB3 LYS B 811 -3.481 9.484 8.766 1.00 36.85 H new ATOM 0 HG2 LYS B 811 -3.153 9.564 11.056 1.00 38.16 H new ATOM 0 HG3 LYS B 811 -2.715 8.068 11.099 1.00 38.16 H new ATOM 0 HD2 LYS B 811 -0.733 8.537 9.990 1.00 41.76 H new ATOM 0 HD3 LYS B 811 -1.207 9.983 9.647 1.00 41.76 H new ATOM 0 HE2 LYS B 811 -1.263 10.468 11.973 1.00 41.72 H new ATOM 0 HE3 LYS B 811 -0.673 9.052 12.253 1.00 41.72 H new ATOM 0 HZ1 LYS B 811 1.008 10.524 12.300 1.00 46.36 H new ATOM 0 HZ2 LYS B 811 1.221 9.725 11.105 1.00 46.36 H new ATOM 0 HZ3 LYS B 811 0.675 11.067 10.994 1.00 46.36 H new ATOM 2425 N PRO B 812 -6.406 8.374 11.109 1.00 29.67 N ATOM 2426 CA PRO B 812 -7.282 9.225 11.927 1.00 29.92 C ATOM 2427 C PRO B 812 -6.416 10.107 12.847 1.00 29.28 C ATOM 2428 O PRO B 812 -5.275 9.749 13.156 1.00 26.70 O ATOM 2429 CB PRO B 812 -8.147 8.243 12.724 1.00 32.52 C ATOM 2430 CG PRO B 812 -7.613 6.910 12.447 1.00 35.57 C ATOM 2431 CD PRO B 812 -6.588 6.957 11.394 1.00 34.30 C ATOM 0 HA PRO B 812 -7.834 9.828 11.405 1.00 29.92 H new ATOM 0 HB2 PRO B 812 -8.110 8.440 13.673 1.00 32.52 H new ATOM 0 HB3 PRO B 812 -9.077 8.306 12.457 1.00 32.52 H new ATOM 0 HG2 PRO B 812 -7.232 6.537 13.257 1.00 35.57 H new ATOM 0 HG3 PRO B 812 -8.333 6.320 12.175 1.00 35.57 H new ATOM 0 HD2 PRO B 812 -5.760 6.549 11.692 1.00 34.30 H new ATOM 0 HD3 PRO B 812 -6.874 6.473 10.603 1.00 34.30 H new ATOM 2432 N MET B 813 -6.914 11.300 13.112 1.00 24.00 N ATOM 2433 CA MET B 813 -6.190 12.302 13.893 1.00 23.42 C ATOM 2434 C MET B 813 -7.199 13.189 14.611 1.00 23.66 C ATOM 2435 O MET B 813 -8.314 13.473 14.094 1.00 23.28 O ATOM 2436 CB MET B 813 -5.238 13.109 13.054 1.00 21.14 C ATOM 2437 CG MET B 813 -4.216 13.892 13.828 1.00 21.96 C ATOM 2438 SD MET B 813 -3.257 12.980 15.117 1.00 23.77 S ATOM 2439 CE MET B 813 -2.574 11.674 14.043 1.00 27.95 C ATOM 0 H MET B 813 -7.689 11.560 12.844 1.00 24.00 H new ATOM 0 HA MET B 813 -5.638 11.845 14.547 1.00 23.42 H new ATOM 0 HB2 MET B 813 -4.775 12.510 12.447 1.00 21.14 H new ATOM 0 HB3 MET B 813 -5.752 13.725 12.508 1.00 21.14 H new ATOM 0 HG2 MET B 813 -3.586 14.272 13.196 1.00 21.96 H new ATOM 0 HG3 MET B 813 -4.668 14.635 14.258 1.00 21.96 H new ATOM 0 HE1 MET B 813 -1.700 11.410 14.370 1.00 27.95 H new ATOM 0 HE2 MET B 813 -3.167 10.906 14.050 1.00 27.95 H new ATOM 0 HE3 MET B 813 -2.491 12.010 13.137 1.00 27.95 H new ATOM 2440 N TRP B 814 -6.856 13.575 15.812 1.00 20.26 N ATOM 2441 CA TRP B 814 -7.669 14.469 16.615 1.00 17.93 C ATOM 2442 C TRP B 814 -6.792 15.264 17.592 1.00 19.17 C ATOM 2443 O TRP B 814 -5.612 14.904 17.795 1.00 18.56 O ATOM 2444 CB TRP B 814 -8.807 13.736 17.330 1.00 19.60 C ATOM 2445 CG TRP B 814 -8.433 12.588 18.217 1.00 20.17 C ATOM 2446 CD1 TRP B 814 -8.248 12.652 19.507 1.00 23.23 C ATOM 2447 CD2 TRP B 814 -8.133 11.250 17.819 1.00 23.56 C ATOM 2448 NE1 TRP B 814 -7.896 11.401 20.033 1.00 23.25 N ATOM 2449 CE2 TRP B 814 -7.786 10.541 18.979 1.00 25.99 C ATOM 2450 CE3 TRP B 814 -8.075 10.593 16.581 1.00 27.23 C ATOM 2451 CZ2 TRP B 814 -7.424 9.180 18.955 1.00 27.20 C ATOM 2452 CZ3 TRP B 814 -7.741 9.234 16.554 1.00 29.00 C ATOM 2453 CH2 TRP B 814 -7.411 8.554 17.735 1.00 30.19 C ATOM 0 H TRP B 814 -6.130 13.324 16.199 1.00 20.26 H new ATOM 0 HA TRP B 814 -8.094 15.100 16.013 1.00 17.93 H new ATOM 0 HB2 TRP B 814 -9.292 14.384 17.865 1.00 19.60 H new ATOM 0 HB3 TRP B 814 -9.422 13.407 16.656 1.00 19.60 H new ATOM 0 HD1 TRP B 814 -8.338 13.427 20.012 1.00 23.23 H new ATOM 0 HE1 TRP B 814 -7.773 11.211 20.863 1.00 23.25 H new ATOM 0 HE3 TRP B 814 -8.255 11.052 15.792 1.00 27.23 H new ATOM 0 HZ2 TRP B 814 -7.203 8.724 19.735 1.00 27.20 H new ATOM 0 HZ3 TRP B 814 -7.738 8.777 15.744 1.00 29.00 H new ATOM 0 HH2 TRP B 814 -7.177 7.655 17.690 1.00 30.19 H new ATOM 2454 N LEU B 815 -7.295 16.377 18.147 1.00 16.38 N ATOM 2455 CA LEU B 815 -6.468 17.257 18.890 1.00 16.96 C ATOM 2456 C LEU B 815 -5.896 16.558 20.172 1.00 17.17 C ATOM 2457 O LEU B 815 -4.744 16.751 20.450 1.00 18.77 O ATOM 2458 CB LEU B 815 -7.140 18.543 19.308 1.00 17.28 C ATOM 2459 CG LEU B 815 -7.594 19.396 18.156 1.00 17.92 C ATOM 2460 CD1 LEU B 815 -8.516 20.513 18.681 1.00 19.64 C ATOM 2461 CD2 LEU B 815 -6.457 20.033 17.476 1.00 18.90 C ATOM 0 H LEU B 815 -8.118 16.618 18.090 1.00 16.38 H new ATOM 0 HA LEU B 815 -5.754 17.488 18.276 1.00 16.96 H new ATOM 0 HB2 LEU B 815 -7.906 18.331 19.864 1.00 17.28 H new ATOM 0 HB3 LEU B 815 -6.525 19.056 19.856 1.00 17.28 H new ATOM 0 HG LEU B 815 -8.058 18.820 17.528 1.00 17.92 H new ATOM 0 HD11 LEU B 815 -8.810 21.065 17.940 1.00 19.64 H new ATOM 0 HD12 LEU B 815 -9.288 20.118 19.116 1.00 19.64 H new ATOM 0 HD13 LEU B 815 -8.031 21.060 19.318 1.00 19.64 H new ATOM 0 HD21 LEU B 815 -6.782 20.575 16.740 1.00 18.90 H new ATOM 0 HD22 LEU B 815 -5.978 20.596 18.104 1.00 18.90 H new ATOM 0 HD23 LEU B 815 -5.860 19.349 17.135 1.00 18.90 H new ATOM 2462 N ASN B 816 -6.687 15.800 20.863 1.00 16.30 N ATOM 2463 CA ASN B 816 -6.178 15.181 22.069 1.00 17.65 C ATOM 2464 C ASN B 816 -5.032 14.187 21.752 1.00 19.27 C ATOM 2465 O ASN B 816 -4.136 14.035 22.615 1.00 20.97 O ATOM 2466 CB ASN B 816 -7.305 14.509 22.797 1.00 19.11 C ATOM 2467 CG ASN B 816 -8.316 15.474 23.400 1.00 21.09 C ATOM 2468 OD1 ASN B 816 -8.118 16.682 23.567 1.00 21.87 O ATOM 2469 ND2 ASN B 816 -9.393 14.863 23.905 1.00 20.83 N ATOM 0 H ASN B 816 -7.506 15.625 20.669 1.00 16.30 H new ATOM 0 HA ASN B 816 -5.801 15.867 22.642 1.00 17.65 H new ATOM 0 HB2 ASN B 816 -7.765 13.915 22.184 1.00 19.11 H new ATOM 0 HB3 ASN B 816 -6.937 13.957 23.505 1.00 19.11 H new ATOM 0 HD21 ASN B 816 -9.969 15.312 24.359 1.00 20.83 H new ATOM 0 HD22 ASN B 816 -9.510 14.021 23.776 1.00 20.83 H new ATOM 2470 N LYS B 817 -5.045 13.562 20.584 1.00 17.97 N ATOM 2471 CA LYS B 817 -3.988 12.655 20.155 1.00 19.19 C ATOM 2472 C LYS B 817 -2.732 13.471 19.854 1.00 20.55 C ATOM 2473 O LYS B 817 -1.601 13.065 20.226 1.00 19.58 O ATOM 2474 CB LYS B 817 -4.402 11.812 18.994 1.00 22.24 C ATOM 2475 CG LYS B 817 -3.314 10.925 18.456 1.00 25.29 C ATOM 2476 CD LYS B 817 -3.884 10.058 17.366 1.00 30.99 C ATOM 2477 CE LYS B 817 -2.780 9.043 17.016 1.00 44.91 C ATOM 2478 NZ LYS B 817 -2.946 8.489 15.644 1.00 57.98 N ATOM 0 H LYS B 817 -5.677 13.653 20.008 1.00 17.97 H new ATOM 0 HA LYS B 817 -3.798 12.031 20.872 1.00 19.19 H new ATOM 0 HB2 LYS B 817 -5.153 11.259 19.260 1.00 22.24 H new ATOM 0 HB3 LYS B 817 -4.714 12.392 18.282 1.00 22.24 H new ATOM 0 HG2 LYS B 817 -2.584 11.462 18.110 1.00 25.29 H new ATOM 0 HG3 LYS B 817 -2.949 10.374 19.166 1.00 25.29 H new ATOM 0 HD2 LYS B 817 -4.689 9.607 17.665 1.00 30.99 H new ATOM 0 HD3 LYS B 817 -4.127 10.588 16.591 1.00 30.99 H new ATOM 0 HE2 LYS B 817 -1.913 9.472 17.088 1.00 44.91 H new ATOM 0 HE3 LYS B 817 -2.792 8.318 17.660 1.00 44.91 H new ATOM 0 HZ1 LYS B 817 -2.608 7.666 15.613 1.00 57.98 H new ATOM 0 HZ2 LYS B 817 -3.811 8.462 15.437 1.00 57.98 H new ATOM 0 HZ3 LYS B 817 -2.518 9.007 15.061 1.00 57.98 H new ATOM 2479 N VAL B 818 -2.844 14.633 19.218 1.00 17.90 N ATOM 2480 CA VAL B 818 -1.704 15.524 19.029 1.00 18.45 C ATOM 2481 C VAL B 818 -1.149 15.978 20.384 1.00 17.66 C ATOM 2482 O VAL B 818 0.052 16.112 20.590 1.00 18.24 O ATOM 2483 CB VAL B 818 -2.020 16.751 18.131 1.00 17.65 C ATOM 2484 CG1 VAL B 818 -0.832 17.671 18.013 1.00 18.14 C ATOM 2485 CG2 VAL B 818 -2.476 16.293 16.779 1.00 18.06 C ATOM 0 H VAL B 818 -3.581 14.926 18.885 1.00 17.90 H new ATOM 0 HA VAL B 818 -1.030 15.009 18.558 1.00 18.45 H new ATOM 0 HB VAL B 818 -2.735 17.256 18.549 1.00 17.65 H new ATOM 0 HG11 VAL B 818 -1.061 18.425 17.447 1.00 18.14 H new ATOM 0 HG12 VAL B 818 -0.582 17.992 18.894 1.00 18.14 H new ATOM 0 HG13 VAL B 818 -0.087 17.189 17.622 1.00 18.14 H new ATOM 0 HG21 VAL B 818 -2.671 17.065 16.225 1.00 18.06 H new ATOM 0 HG22 VAL B 818 -1.777 15.765 16.363 1.00 18.06 H new ATOM 0 HG23 VAL B 818 -3.276 15.752 16.873 1.00 18.06 H new ATOM 2486 N LYS B 819 -2.032 16.340 21.314 1.00 16.81 N ATOM 2487 CA LYS B 819 -1.619 16.756 22.668 1.00 17.44 C ATOM 2488 C LYS B 819 -0.766 15.652 23.345 1.00 15.11 C ATOM 2489 O LYS B 819 0.337 15.930 23.870 1.00 17.78 O ATOM 2490 CB LYS B 819 -2.829 17.091 23.522 1.00 18.55 C ATOM 2491 CG LYS B 819 -2.444 17.550 24.916 1.00 21.12 C ATOM 2492 CD LYS B 819 -3.663 17.874 25.781 1.00 25.86 C ATOM 2493 CE LYS B 819 -4.088 19.249 25.655 1.00 27.32 C ATOM 2494 NZ LYS B 819 -5.038 19.617 26.792 1.00 33.38 N ATOM 0 H LYS B 819 -2.882 16.353 21.185 1.00 16.81 H new ATOM 0 HA LYS B 819 -1.075 17.555 22.584 1.00 17.44 H new ATOM 0 HB2 LYS B 819 -3.346 17.786 23.087 1.00 18.55 H new ATOM 0 HB3 LYS B 819 -3.401 16.311 23.588 1.00 18.55 H new ATOM 0 HG2 LYS B 819 -1.919 16.858 25.348 1.00 21.12 H new ATOM 0 HG3 LYS B 819 -1.879 18.336 24.850 1.00 21.12 H new ATOM 0 HD2 LYS B 819 -4.396 17.289 25.532 1.00 25.86 H new ATOM 0 HD3 LYS B 819 -3.454 17.688 26.710 1.00 25.86 H new ATOM 0 HE2 LYS B 819 -3.315 19.835 25.668 1.00 27.32 H new ATOM 0 HE3 LYS B 819 -4.529 19.381 24.801 1.00 27.32 H new ATOM 0 HZ1 LYS B 819 -5.438 20.390 26.607 1.00 33.38 H new ATOM 0 HZ2 LYS B 819 -5.653 18.980 26.883 1.00 33.38 H new ATOM 0 HZ3 LYS B 819 -4.578 19.696 27.550 1.00 33.38 H new ATOM 2495 N THR B 820 -1.260 14.461 23.269 1.00 17.00 N ATOM 2496 CA THR B 820 -0.510 13.297 23.847 1.00 18.71 C ATOM 2497 C THR B 820 0.827 13.102 23.129 1.00 18.14 C ATOM 2498 O THR B 820 1.864 12.870 23.790 1.00 19.78 O ATOM 2499 CB THR B 820 -1.366 12.036 23.725 1.00 21.28 C ATOM 2500 OG1 THR B 820 -2.445 12.207 24.630 1.00 27.16 O ATOM 2501 CG2 THR B 820 -0.505 10.805 24.152 1.00 27.35 C ATOM 0 H THR B 820 -2.012 14.265 22.901 1.00 17.00 H new ATOM 0 HA THR B 820 -0.324 13.474 24.782 1.00 18.71 H new ATOM 0 HB THR B 820 -1.686 11.893 22.821 1.00 21.28 H new ATOM 0 HG1 THR B 820 -3.023 12.711 24.286 1.00 27.16 H new ATOM 0 HG21 THR B 820 -1.037 9.997 24.079 1.00 27.35 H new ATOM 0 HG22 THR B 820 0.270 10.735 23.572 1.00 27.35 H new ATOM 0 HG23 THR B 820 -0.212 10.917 25.070 1.00 27.35 H new ATOM 2502 N SER B 821 0.869 13.235 21.835 1.00 17.38 N ATOM 2503 CA SER B 821 2.086 13.068 21.034 1.00 18.52 C ATOM 2504 C SER B 821 3.146 14.085 21.364 1.00 22.52 C ATOM 2505 O SER B 821 4.346 13.775 21.599 1.00 20.41 O ATOM 2506 CB SER B 821 1.795 13.062 19.535 1.00 19.11 C ATOM 2507 OG SER B 821 0.983 11.949 19.185 1.00 22.48 O ATOM 0 H SER B 821 0.176 13.432 21.365 1.00 17.38 H new ATOM 0 HA SER B 821 2.437 12.196 21.274 1.00 18.52 H new ATOM 0 HB2 SER B 821 1.348 13.886 19.284 1.00 19.11 H new ATOM 0 HB3 SER B 821 2.628 13.029 19.039 1.00 19.11 H new ATOM 0 HG SER B 821 0.189 12.097 19.416 1.00 22.48 H new ATOM 2508 N LEU B 822 2.736 15.333 21.495 1.00 19.30 N ATOM 2509 CA LEU B 822 3.660 16.348 22.043 1.00 19.69 C ATOM 2510 C LEU B 822 4.156 16.093 23.422 1.00 21.05 C ATOM 2511 O LEU B 822 5.339 16.298 23.716 1.00 23.94 O ATOM 2512 CB LEU B 822 2.984 17.733 22.102 1.00 23.21 C ATOM 2513 CG LEU B 822 3.040 18.625 20.972 1.00 23.35 C ATOM 2514 CD1 LEU B 822 2.193 19.925 21.251 1.00 20.31 C ATOM 2515 CD2 LEU B 822 4.477 19.031 20.536 1.00 20.47 C ATOM 0 H LEU B 822 1.954 15.621 21.284 1.00 19.30 H new ATOM 0 HA LEU B 822 4.411 16.307 21.431 1.00 19.69 H new ATOM 0 HB2 LEU B 822 2.047 17.585 22.303 1.00 23.21 H new ATOM 0 HB3 LEU B 822 3.366 18.205 22.858 1.00 23.21 H new ATOM 0 HG LEU B 822 2.664 18.120 20.234 1.00 23.35 H new ATOM 0 HD11 LEU B 822 2.241 20.514 20.482 1.00 20.31 H new ATOM 0 HD12 LEU B 822 1.268 19.680 21.413 1.00 20.31 H new ATOM 0 HD13 LEU B 822 2.548 20.382 22.030 1.00 20.31 H new ATOM 0 HD21 LEU B 822 4.427 19.629 19.774 1.00 20.47 H new ATOM 0 HD22 LEU B 822 4.923 19.481 21.271 1.00 20.47 H new ATOM 0 HD23 LEU B 822 4.978 18.237 20.291 1.00 20.47 H new ATOM 2516 N ASN B 823 3.297 15.688 24.349 1.00 21.71 N ATOM 2517 CA ASN B 823 3.653 15.459 25.774 1.00 23.31 C ATOM 2518 C ASN B 823 4.698 14.307 25.763 1.00 22.35 C ATOM 2519 O ASN B 823 5.653 14.309 26.537 1.00 28.78 O ATOM 2520 CB ASN B 823 2.402 15.107 26.582 1.00 24.82 C ATOM 2521 CG ASN B 823 2.680 14.645 28.026 1.00 28.73 C ATOM 2522 OD1 ASN B 823 2.293 13.530 28.456 1.00 41.29 O ATOM 2523 ND2 ASN B 823 3.345 15.414 28.708 1.00 30.50 N ATOM 0 H ASN B 823 2.469 15.531 24.177 1.00 21.71 H new ATOM 0 HA ASN B 823 4.025 16.248 26.197 1.00 23.31 H new ATOM 0 HB2 ASN B 823 1.820 15.883 26.609 1.00 24.82 H new ATOM 0 HB3 ASN B 823 1.918 14.406 26.118 1.00 24.82 H new ATOM 0 HD21 ASN B 823 3.563 15.198 29.511 1.00 30.50 H new ATOM 0 HD22 ASN B 823 3.594 16.170 28.384 1.00 30.50 H new ATOM 2524 N GLU B 824 4.526 13.365 24.878 1.00 21.19 N ATOM 2525 CA GLU B 824 5.357 12.153 24.838 1.00 25.18 C ATOM 2526 C GLU B 824 6.626 12.372 24.004 1.00 24.21 C ATOM 2527 O GLU B 824 7.369 11.413 23.754 1.00 26.30 O ATOM 2528 CB GLU B 824 4.528 10.944 24.383 1.00 25.58 C ATOM 2529 CG GLU B 824 3.576 10.600 25.529 1.00 32.42 C ATOM 2530 CD GLU B 824 2.606 9.445 25.278 1.00 44.90 C ATOM 2531 OE1 GLU B 824 2.758 8.717 24.299 1.00 54.54 O ATOM 2532 OE2 GLU B 824 1.683 9.245 26.123 1.00 53.37 O ATOM 0 H GLU B 824 3.921 13.393 24.268 1.00 21.19 H new ATOM 0 HA GLU B 824 5.665 11.955 25.736 1.00 25.18 H new ATOM 0 HB2 GLU B 824 4.032 11.152 23.575 1.00 25.58 H new ATOM 0 HB3 GLU B 824 5.104 10.191 24.177 1.00 25.58 H new ATOM 0 HG2 GLU B 824 4.107 10.387 26.313 1.00 32.42 H new ATOM 0 HG3 GLU B 824 3.058 11.392 25.743 1.00 32.42 H new ATOM 2533 N GLN B 825 6.824 13.588 23.493 1.00 23.98 N ATOM 2534 CA GLN B 825 7.975 13.907 22.653 1.00 24.79 C ATOM 2535 C GLN B 825 8.096 13.053 21.420 1.00 26.36 C ATOM 2536 O GLN B 825 9.161 12.659 21.007 1.00 27.42 O ATOM 2537 CB GLN B 825 9.292 13.934 23.480 1.00 29.43 C ATOM 2538 CG GLN B 825 9.188 14.885 24.637 1.00 32.55 C ATOM 2539 CD GLN B 825 10.179 14.586 25.738 1.00 34.82 C ATOM 2540 OE1 GLN B 825 10.254 13.443 26.214 1.00 35.76 O ATOM 2541 NE2 GLN B 825 10.967 15.608 26.131 1.00 27.51 N ATOM 0 H GLN B 825 6.293 14.251 23.625 1.00 23.98 H new ATOM 0 HA GLN B 825 7.813 14.803 22.318 1.00 24.79 H new ATOM 0 HB2 GLN B 825 9.489 13.043 23.808 1.00 29.43 H new ATOM 0 HB3 GLN B 825 10.030 14.196 22.908 1.00 29.43 H new ATOM 0 HG2 GLN B 825 9.329 15.790 24.319 1.00 32.55 H new ATOM 0 HG3 GLN B 825 8.289 14.849 24.999 1.00 32.55 H new ATOM 0 HE21 GLN B 825 10.877 16.384 25.771 1.00 27.51 H new ATOM 0 HE22 GLN B 825 11.559 15.484 26.742 1.00 27.51 H new ATOM 2542 N MET B 826 6.968 12.832 20.755 1.00 22.57 N ATOM 2543 CA AMET B 826 6.912 12.017 19.561 0.59 23.28 C ATOM 2544 CA BMET B 826 6.915 12.012 19.557 0.41 24.58 C ATOM 2545 C MET B 826 7.303 12.730 18.279 1.00 25.93 C ATOM 2546 O MET B 826 7.489 12.088 17.253 1.00 30.36 O ATOM 2547 CB AMET B 826 5.523 11.411 19.385 0.59 24.88 C ATOM 2548 CB BMET B 826 5.532 11.388 19.400 0.41 27.05 C ATOM 2549 CG AMET B 826 5.033 10.460 20.479 0.59 27.14 C ATOM 2550 CG BMET B 826 5.189 10.436 20.530 0.41 30.21 C ATOM 2551 SD AMET B 826 6.072 8.992 20.780 0.59 34.93 S ATOM 2552 SD BMET B 826 3.637 9.531 20.432 0.41 37.03 S ATOM 2553 CE AMET B 826 5.971 8.114 19.221 0.59 31.74 C ATOM 2554 CE BMET B 826 3.502 9.014 18.735 0.41 36.70 C ATOM 0 H AMET B 826 6.208 13.157 20.991 0.59 22.57 H new ATOM 0 H BMET B 826 6.207 13.157 20.990 0.41 22.57 H new ATOM 0 HA AMET B 826 7.578 11.327 19.707 0.59 24.58 H new ATOM 0 HA BMET B 826 7.586 11.325 19.689 0.41 24.58 H new ATOM 0 HB2AMET B 826 4.885 12.138 19.310 0.59 27.05 H new ATOM 0 HB2BMET B 826 4.866 12.092 19.362 0.41 27.05 H new ATOM 0 HB3AMET B 826 5.508 10.932 18.541 0.59 27.05 H new ATOM 0 HB3BMET B 826 5.490 10.911 18.556 0.41 27.05 H new ATOM 0 HG2AMET B 826 4.959 10.958 21.308 0.59 30.21 H new ATOM 0 HG2BMET B 826 5.907 9.788 20.600 0.41 30.21 H new ATOM 0 HG3AMET B 826 4.140 10.161 20.248 0.59 30.21 H new ATOM 0 HG3BMET B 826 5.184 10.945 21.356 0.41 30.21 H new ATOM 0 HE1AMET B 826 6.446 7.271 19.293 0.59 36.70 H new ATOM 0 HE1BMET B 826 2.738 8.424 18.636 0.41 36.70 H new ATOM 0 HE2AMET B 826 5.041 7.943 19.005 0.59 36.70 H new ATOM 0 HE2BMET B 826 3.385 9.792 18.168 0.41 36.70 H new ATOM 0 HE3AMET B 826 6.372 8.652 18.520 0.59 36.70 H new ATOM 0 HE3BMET B 826 4.309 8.543 18.475 0.41 36.70 H new ATOM 2555 N TYR B 827 7.386 14.063 18.302 1.00 23.07 N ATOM 2556 CA TYR B 827 7.727 14.835 17.122 1.00 20.99 C ATOM 2557 C TYR B 827 9.157 15.249 17.203 1.00 22.11 C ATOM 2558 O TYR B 827 9.585 15.857 18.224 1.00 23.61 O ATOM 2559 CB TYR B 827 6.809 16.083 17.002 1.00 22.71 C ATOM 2560 CG TYR B 827 5.379 15.758 16.866 1.00 19.59 C ATOM 2561 CD1 TYR B 827 4.889 14.971 15.894 1.00 19.83 C ATOM 2562 CD2 TYR B 827 4.459 16.234 17.781 1.00 22.74 C ATOM 2563 CE1 TYR B 827 3.506 14.680 15.769 1.00 21.21 C ATOM 2564 CE2 TYR B 827 3.124 15.967 17.693 1.00 20.12 C ATOM 2565 CZ TYR B 827 2.611 15.218 16.696 1.00 20.44 C ATOM 2566 OH TYR B 827 1.319 14.928 16.635 1.00 21.09 O ATOM 0 H TYR B 827 7.245 14.538 19.005 1.00 23.07 H new ATOM 0 HA TYR B 827 7.594 14.287 16.333 1.00 20.99 H new ATOM 0 HB2 TYR B 827 6.932 16.641 17.786 1.00 22.71 H new ATOM 0 HB3 TYR B 827 7.088 16.606 16.234 1.00 22.71 H new ATOM 0 HD1 TYR B 827 5.480 14.602 15.278 1.00 19.83 H new ATOM 0 HD2 TYR B 827 4.763 16.758 18.486 1.00 22.74 H new ATOM 0 HE1 TYR B 827 3.199 14.138 15.078 1.00 21.21 H new ATOM 0 HE2 TYR B 827 2.551 16.312 18.339 1.00 20.12 H new ATOM 0 HH TYR B 827 1.196 14.314 16.075 1.00 21.09 H new ATOM 2567 N THR B 828 9.970 14.900 16.187 1.00 19.56 N ATOM 2568 CA THR B 828 11.376 15.371 16.163 1.00 21.11 C ATOM 2569 C THR B 828 11.621 16.683 15.514 1.00 18.64 C ATOM 2570 O THR B 828 12.596 17.361 15.830 1.00 21.25 O ATOM 2571 CB THR B 828 12.368 14.309 15.510 1.00 21.85 C ATOM 2572 OG1 THR B 828 11.903 14.005 14.224 1.00 25.23 O ATOM 2573 CG2 THR B 828 12.358 13.044 16.308 1.00 23.81 C ATOM 0 H THR B 828 9.738 14.407 15.521 1.00 19.56 H new ATOM 0 HA THR B 828 11.559 15.485 17.109 1.00 21.11 H new ATOM 0 HB THR B 828 13.265 14.679 15.486 1.00 21.85 H new ATOM 0 HG1 THR B 828 12.417 13.446 13.865 1.00 25.23 H new ATOM 0 HG21 THR B 828 12.964 12.402 15.905 1.00 23.81 H new ATOM 0 HG22 THR B 828 12.643 13.232 17.216 1.00 23.81 H new ATOM 0 HG23 THR B 828 11.460 12.677 16.321 1.00 23.81 H new ATOM 2574 N ARG B 829 10.684 17.071 14.614 1.00 20.21 N ATOM 2575 CA AARG B 829 10.736 18.306 13.873 0.49 20.61 C ATOM 2576 CA BARG B 829 10.748 18.329 13.919 0.51 21.05 C ATOM 2577 C ARG B 829 9.337 18.989 13.914 1.00 18.44 C ATOM 2578 O ARG B 829 8.324 18.295 14.066 1.00 20.00 O ATOM 2579 CB AARG B 829 11.113 18.028 12.407 0.49 22.63 C ATOM 2580 CB BARG B 829 11.249 18.125 12.481 0.51 23.93 C ATOM 2581 CG AARG B 829 12.542 17.501 12.221 0.49 24.01 C ATOM 2582 CG BARG B 829 12.755 17.795 12.403 0.51 25.80 C ATOM 2583 CD AARG B 829 12.840 17.057 10.802 0.49 25.53 C ATOM 2584 CD BARG B 829 13.216 17.559 10.982 0.51 28.47 C ATOM 2585 NE AARG B 829 14.274 16.712 10.762 0.49 27.61 N ATOM 2586 NE BARG B 829 14.532 16.884 11.037 0.51 30.66 N ATOM 2587 CZ AARG B 829 14.748 15.553 11.207 0.49 23.07 C ATOM 2588 CZ BARG B 829 15.716 17.459 11.013 0.51 28.71 C ATOM 2589 NH1AARG B 829 13.914 14.580 11.653 0.49 21.62 N ATOM 2590 NH1BARG B 829 16.785 16.674 11.106 0.51 30.21 N ATOM 2591 NH2AARG B 829 16.046 15.382 11.155 0.49 25.92 N ATOM 2592 NH2BARG B 829 15.868 18.762 10.818 0.51 29.35 N ATOM 0 H AARG B 829 9.992 16.594 14.430 0.49 20.21 H new ATOM 0 H BARG B 829 10.000 16.592 14.406 0.51 20.21 H new ATOM 0 HA AARG B 829 11.403 18.886 14.272 0.49 21.05 H new ATOM 0 HA BARG B 829 11.373 18.913 14.376 0.51 21.05 H new ATOM 0 HB2AARG B 829 10.489 17.383 12.039 0.49 23.93 H new ATOM 0 HB2BARG B 829 10.745 17.407 12.068 0.51 23.93 H new ATOM 0 HB3AARG B 829 11.010 18.846 11.895 0.49 23.93 H new ATOM 0 HB3BARG B 829 11.073 18.928 11.966 0.51 23.93 H new ATOM 0 HG2AARG B 829 13.171 18.195 12.475 0.49 25.80 H new ATOM 0 HG2BARG B 829 13.265 18.524 12.790 0.51 25.80 H new ATOM 0 HG3AARG B 829 12.685 16.754 12.823 0.49 25.80 H new ATOM 0 HG3BARG B 829 12.940 17.006 12.936 0.51 25.80 H new ATOM 0 HD2AARG B 829 12.294 16.293 10.558 0.49 28.47 H new ATOM 0 HD2BARG B 829 12.574 17.012 10.503 0.51 28.47 H new ATOM 0 HD3AARG B 829 12.637 17.764 10.170 0.49 28.47 H new ATOM 0 HD3BARG B 829 13.285 18.400 10.503 0.51 28.47 H new ATOM 0 HE AARG B 829 14.827 17.285 10.437 0.49 30.66 H new ATOM 0 HE BARG B 829 14.522 16.026 11.090 0.51 30.66 H new ATOM 0 HH11AARG B 829 13.064 14.708 11.651 0.49 30.21 H new ATOM 0 HH11BARG B 829 16.688 15.823 11.179 0.51 30.21 H new ATOM 0 HH12AARG B 829 14.236 13.835 11.938 0.49 30.21 H new ATOM 0 HH12BARG B 829 17.573 17.018 11.093 0.51 30.21 H new ATOM 0 HH21AARG B 829 16.550 16.005 10.843 0.49 29.35 H new ATOM 0 HH21BARG B 829 15.179 19.263 10.702 0.51 29.35 H new ATOM 0 HH22AARG B 829 16.394 14.646 11.433 0.49 29.35 H new ATOM 0 HH22BARG B 829 16.656 19.106 10.808 0.51 29.35 H new ATOM 2593 N VAL B 830 9.368 20.274 13.712 1.00 19.93 N ATOM 2594 CA VAL B 830 8.076 21.126 13.627 1.00 20.93 C ATOM 2595 C VAL B 830 7.154 20.506 12.566 1.00 21.87 C ATOM 2596 O VAL B 830 5.940 20.308 12.755 1.00 19.34 O ATOM 2597 CB VAL B 830 8.413 22.609 13.484 1.00 19.51 C ATOM 2598 CG1 VAL B 830 7.134 23.367 13.136 1.00 22.64 C ATOM 2599 CG2 VAL B 830 9.039 23.204 14.674 1.00 20.30 C ATOM 0 H VAL B 830 10.094 20.724 13.615 1.00 19.93 H new ATOM 0 HA VAL B 830 7.563 21.106 14.450 1.00 20.93 H new ATOM 0 HB VAL B 830 9.074 22.682 12.778 1.00 19.51 H new ATOM 0 HG11 VAL B 830 7.333 24.312 13.042 1.00 22.64 H new ATOM 0 HG12 VAL B 830 6.774 23.028 12.302 1.00 22.64 H new ATOM 0 HG13 VAL B 830 6.482 23.243 13.843 1.00 22.64 H new ATOM 0 HG21 VAL B 830 9.223 24.142 14.508 1.00 20.30 H new ATOM 0 HG22 VAL B 830 8.439 23.121 15.431 1.00 20.30 H new ATOM 0 HG23 VAL B 830 9.869 22.742 14.868 1.00 20.30 H new ATOM 2600 N GLU B 831 7.719 20.047 11.414 1.00 20.48 N ATOM 2601 CA GLU B 831 7.004 19.292 10.450 1.00 23.37 C ATOM 2602 C GLU B 831 6.051 18.262 10.909 1.00 21.29 C ATOM 2603 O GLU B 831 4.920 18.152 10.386 1.00 22.87 O ATOM 2604 CB GLU B 831 8.037 18.612 9.496 1.00 29.07 C ATOM 2605 CG GLU B 831 7.457 17.870 8.352 1.00 37.73 C ATOM 2606 CD GLU B 831 8.589 17.136 7.570 1.00 43.06 C ATOM 2607 OE1 GLU B 831 9.364 16.345 8.168 1.00 44.84 O ATOM 2608 OE2 GLU B 831 8.717 17.445 6.388 1.00 48.89 O ATOM 0 H GLU B 831 8.541 20.188 11.204 1.00 20.48 H new ATOM 0 HA GLU B 831 6.431 19.953 10.031 1.00 23.37 H new ATOM 0 HB2 GLU B 831 8.632 19.295 9.150 1.00 29.07 H new ATOM 0 HB3 GLU B 831 8.580 18.000 10.017 1.00 29.07 H new ATOM 0 HG2 GLU B 831 6.803 17.228 8.670 1.00 37.73 H new ATOM 0 HG3 GLU B 831 6.989 18.482 7.762 1.00 37.73 H new ATOM 2609 N GLY B 832 6.449 17.398 11.862 1.00 21.28 N ATOM 2610 CA GLY B 832 5.580 16.328 12.248 1.00 19.74 C ATOM 2611 C GLY B 832 4.282 16.811 12.942 1.00 16.33 C ATOM 2612 O GLY B 832 3.259 16.204 12.792 1.00 19.52 O ATOM 0 H GLY B 832 7.203 17.430 12.275 1.00 21.28 H new ATOM 0 HA2 GLY B 832 5.345 15.811 11.462 1.00 19.74 H new ATOM 0 HA3 GLY B 832 6.057 15.733 12.847 1.00 19.74 H new ATOM 2613 N PHE B 833 4.458 17.773 13.852 1.00 20.09 N ATOM 2614 CA PHE B 833 3.328 18.418 14.547 1.00 18.95 C ATOM 2615 C PHE B 833 2.413 19.092 13.512 1.00 18.96 C ATOM 2616 O PHE B 833 1.227 18.845 13.518 1.00 19.52 O ATOM 2617 CB PHE B 833 3.854 19.383 15.550 1.00 19.69 C ATOM 2618 CG PHE B 833 2.827 20.307 16.106 1.00 19.77 C ATOM 2619 CD1 PHE B 833 1.978 19.882 17.075 1.00 18.99 C ATOM 2620 CD2 PHE B 833 2.738 21.565 15.620 1.00 21.72 C ATOM 2621 CE1 PHE B 833 0.957 20.749 17.547 1.00 21.41 C ATOM 2622 CE2 PHE B 833 1.773 22.462 16.112 1.00 22.42 C ATOM 2623 CZ PHE B 833 0.918 22.037 17.104 1.00 22.22 C ATOM 0 H PHE B 833 5.230 18.071 14.086 1.00 20.09 H new ATOM 0 HA PHE B 833 2.797 17.760 15.023 1.00 18.95 H new ATOM 0 HB2 PHE B 833 4.258 18.888 16.280 1.00 19.69 H new ATOM 0 HB3 PHE B 833 4.559 19.908 15.140 1.00 19.69 H new ATOM 0 HD1 PHE B 833 2.064 19.026 17.429 1.00 18.99 H new ATOM 0 HD2 PHE B 833 3.323 21.841 14.951 1.00 21.72 H new ATOM 0 HE1 PHE B 833 0.322 20.441 18.152 1.00 21.41 H new ATOM 0 HE2 PHE B 833 1.713 23.326 15.774 1.00 22.42 H new ATOM 0 HZ PHE B 833 0.309 22.634 17.475 1.00 22.22 H new ATOM 2624 N VAL B 834 2.954 19.843 12.591 1.00 19.53 N ATOM 2625 CA VAL B 834 2.112 20.568 11.598 1.00 22.03 C ATOM 2626 C VAL B 834 1.408 19.598 10.706 1.00 22.90 C ATOM 2627 O VAL B 834 0.225 19.725 10.383 1.00 22.22 O ATOM 2628 CB VAL B 834 2.951 21.587 10.828 1.00 20.16 C ATOM 2629 CG1 VAL B 834 2.165 22.184 9.637 1.00 22.18 C ATOM 2630 CG2 VAL B 834 3.370 22.686 11.732 1.00 19.88 C ATOM 0 H VAL B 834 3.801 19.964 12.501 1.00 19.53 H new ATOM 0 HA VAL B 834 1.424 21.070 12.063 1.00 22.03 H new ATOM 0 HB VAL B 834 3.730 21.124 10.483 1.00 20.16 H new ATOM 0 HG11 VAL B 834 2.723 22.825 9.170 1.00 22.18 H new ATOM 0 HG12 VAL B 834 1.911 21.473 9.028 1.00 22.18 H new ATOM 0 HG13 VAL B 834 1.368 22.628 9.965 1.00 22.18 H new ATOM 0 HG21 VAL B 834 3.902 23.328 11.236 1.00 19.88 H new ATOM 0 HG22 VAL B 834 2.584 23.127 12.092 1.00 19.88 H new ATOM 0 HG23 VAL B 834 3.898 22.323 12.460 1.00 19.88 H new ATOM 2631 N GLN B 835 2.075 18.504 10.305 1.00 22.91 N ATOM 2632 CA GLN B 835 1.418 17.530 9.501 1.00 23.86 C ATOM 2633 C GLN B 835 0.236 16.885 10.161 1.00 24.27 C ATOM 2634 O GLN B 835 -0.795 16.692 9.545 1.00 22.82 O ATOM 2635 CB GLN B 835 2.415 16.463 9.046 1.00 27.54 C ATOM 2636 CG GLN B 835 3.299 17.025 7.990 1.00 30.52 C ATOM 2637 CD GLN B 835 4.353 16.032 7.514 1.00 37.83 C ATOM 2638 OE1 GLN B 835 4.608 14.989 8.149 1.00 44.46 O ATOM 2639 NE2 GLN B 835 4.943 16.343 6.351 1.00 45.54 N ATOM 0 H GLN B 835 2.895 18.330 10.496 1.00 22.91 H new ATOM 0 HA GLN B 835 1.066 18.010 8.735 1.00 23.86 H new ATOM 0 HB2 GLN B 835 2.947 16.162 9.799 1.00 27.54 H new ATOM 0 HB3 GLN B 835 1.941 15.688 8.705 1.00 27.54 H new ATOM 0 HG2 GLN B 835 2.758 17.303 7.235 1.00 30.52 H new ATOM 0 HG3 GLN B 835 3.739 17.819 8.331 1.00 30.52 H new ATOM 0 HE21 GLN B 835 4.737 17.073 5.946 1.00 45.54 H new ATOM 0 HE22 GLN B 835 5.527 15.812 6.010 1.00 45.54 H new ATOM 2640 N ASP B 836 0.328 16.583 11.447 1.00 20.31 N ATOM 2641 CA ASP B 836 -0.763 15.918 12.132 1.00 18.62 C ATOM 2642 C ASP B 836 -1.916 16.955 12.284 1.00 17.96 C ATOM 2643 O ASP B 836 -3.053 16.573 12.188 1.00 18.83 O ATOM 2644 CB ASP B 836 -0.323 15.419 13.486 1.00 20.57 C ATOM 2645 CG ASP B 836 0.245 13.987 13.437 1.00 26.84 C ATOM 2646 OD1 ASP B 836 0.249 13.388 12.340 1.00 26.96 O ATOM 2647 OD2 ASP B 836 0.643 13.493 14.533 1.00 24.64 O ATOM 0 H ASP B 836 1.012 16.755 11.939 1.00 20.31 H new ATOM 0 HA ASP B 836 -1.059 15.146 11.624 1.00 18.62 H new ATOM 0 HB2 ASP B 836 0.351 16.018 13.844 1.00 20.57 H new ATOM 0 HB3 ASP B 836 -1.077 15.443 14.096 1.00 20.57 H new ATOM 2648 N MET B 837 -1.573 18.150 12.533 1.00 17.47 N ATOM 2649 CA MET B 837 -2.670 19.209 12.753 1.00 19.76 C ATOM 2650 C MET B 837 -3.421 19.431 11.414 1.00 21.62 C ATOM 2651 O MET B 837 -4.680 19.448 11.346 1.00 23.04 O ATOM 2652 CB MET B 837 -2.083 20.503 13.162 1.00 17.51 C ATOM 2653 CG MET B 837 -1.548 20.514 14.595 1.00 20.36 C ATOM 2654 SD MET B 837 -2.823 20.289 15.860 1.00 19.65 S ATOM 2655 CE MET B 837 -3.544 21.982 15.828 1.00 21.60 C ATOM 0 H MET B 837 -0.763 18.433 12.592 1.00 17.47 H new ATOM 0 HA MET B 837 -3.267 18.893 13.449 1.00 19.76 H new ATOM 0 HB2 MET B 837 -1.361 20.727 12.555 1.00 17.51 H new ATOM 0 HB3 MET B 837 -2.755 21.196 13.072 1.00 17.51 H new ATOM 0 HG2 MET B 837 -0.886 19.812 14.688 1.00 20.36 H new ATOM 0 HG3 MET B 837 -1.093 21.356 14.754 1.00 20.36 H new ATOM 0 HE1 MET B 837 -4.214 22.062 16.525 1.00 21.60 H new ATOM 0 HE2 MET B 837 -2.843 22.635 15.978 1.00 21.60 H new ATOM 0 HE3 MET B 837 -3.956 22.142 14.964 1.00 21.60 H new ATOM 2656 N ARG B 838 -2.668 19.474 10.309 1.00 19.85 N ATOM 2657 CA ARG B 838 -3.334 19.605 8.993 1.00 23.48 C ATOM 2658 C ARG B 838 -4.158 18.425 8.583 1.00 24.16 C ATOM 2659 O ARG B 838 -5.234 18.574 7.933 1.00 23.66 O ATOM 2660 CB ARG B 838 -2.285 20.003 7.910 1.00 24.44 C ATOM 2661 CG ARG B 838 -1.714 21.376 8.111 1.00 23.51 C ATOM 2662 CD ARG B 838 -0.571 21.763 7.150 1.00 25.53 C ATOM 2663 NE ARG B 838 -0.294 23.191 7.181 1.00 24.13 N ATOM 2664 CZ ARG B 838 0.816 23.783 6.702 1.00 26.89 C ATOM 2665 NH1 ARG B 838 1.818 23.064 6.188 1.00 31.56 N ATOM 2666 NH2 ARG B 838 0.974 25.061 6.829 1.00 29.07 N ATOM 0 H ARG B 838 -1.809 19.432 10.290 1.00 19.85 H new ATOM 0 HA ARG B 838 -3.988 20.316 9.084 1.00 23.48 H new ATOM 0 HB2 ARG B 838 -1.563 19.356 7.915 1.00 24.44 H new ATOM 0 HB3 ARG B 838 -2.700 19.958 7.035 1.00 24.44 H new ATOM 0 HG2 ARG B 838 -2.429 22.024 8.017 1.00 23.51 H new ATOM 0 HG3 ARG B 838 -1.388 21.444 9.022 1.00 23.51 H new ATOM 0 HD2 ARG B 838 0.231 21.273 7.389 1.00 25.53 H new ATOM 0 HD3 ARG B 838 -0.806 21.499 6.247 1.00 25.53 H new ATOM 0 HE ARG B 838 -0.890 23.700 7.535 1.00 24.13 H new ATOM 0 HH11 ARG B 838 1.761 22.206 6.159 1.00 31.56 H new ATOM 0 HH12 ARG B 838 2.520 23.459 5.886 1.00 31.56 H new ATOM 0 HH21 ARG B 838 0.370 25.532 7.219 1.00 29.07 H new ATOM 0 HH22 ARG B 838 1.683 25.439 6.523 1.00 29.07 H new ATOM 2667 N LEU B 839 -3.699 17.243 8.977 1.00 22.46 N ATOM 2668 CA LEU B 839 -4.400 16.013 8.755 1.00 23.27 C ATOM 2669 C LEU B 839 -5.814 16.044 9.382 1.00 23.12 C ATOM 2670 O LEU B 839 -6.785 15.471 8.829 1.00 22.95 O ATOM 2671 CB LEU B 839 -3.582 14.808 9.205 1.00 22.75 C ATOM 2672 CG LEU B 839 -4.203 13.473 9.154 1.00 25.32 C ATOM 2673 CD1 LEU B 839 -4.562 12.993 7.737 1.00 28.95 C ATOM 2674 CD2 LEU B 839 -3.213 12.472 9.798 1.00 28.06 C ATOM 0 H LEU B 839 -2.951 17.144 9.390 1.00 22.46 H new ATOM 0 HA LEU B 839 -4.525 15.915 7.798 1.00 23.27 H new ATOM 0 HB2 LEU B 839 -2.778 14.779 8.663 1.00 22.75 H new ATOM 0 HB3 LEU B 839 -3.302 14.968 10.120 1.00 22.75 H new ATOM 0 HG LEU B 839 -5.045 13.526 9.633 1.00 25.32 H new ATOM 0 HD11 LEU B 839 -4.964 12.112 7.786 1.00 28.95 H new ATOM 0 HD12 LEU B 839 -5.191 13.613 7.335 1.00 28.95 H new ATOM 0 HD13 LEU B 839 -3.758 12.952 7.196 1.00 28.95 H new ATOM 0 HD21 LEU B 839 -3.595 11.581 9.779 1.00 28.06 H new ATOM 0 HD22 LEU B 839 -2.380 12.476 9.302 1.00 28.06 H new ATOM 0 HD23 LEU B 839 -3.043 12.731 10.717 1.00 28.06 H new ATOM 2675 N ILE B 840 -5.931 16.626 10.588 1.00 19.26 N ATOM 2676 CA ILE B 840 -7.247 16.726 11.258 1.00 19.76 C ATOM 2677 C ILE B 840 -8.293 17.366 10.293 1.00 18.58 C ATOM 2678 O ILE B 840 -9.373 16.840 10.102 1.00 22.26 O ATOM 2679 CB ILE B 840 -7.095 17.544 12.548 1.00 19.86 C ATOM 2680 CG1 ILE B 840 -6.328 16.714 13.567 1.00 20.02 C ATOM 2681 CG2 ILE B 840 -8.457 17.902 13.086 1.00 22.21 C ATOM 2682 CD1 ILE B 840 -6.009 17.458 14.813 1.00 20.14 C ATOM 0 H ILE B 840 -5.275 16.964 11.030 1.00 19.26 H new ATOM 0 HA ILE B 840 -7.568 15.841 11.491 1.00 19.76 H new ATOM 0 HB ILE B 840 -6.609 18.364 12.367 1.00 19.86 H new ATOM 0 HG12 ILE B 840 -6.849 15.928 13.792 1.00 20.02 H new ATOM 0 HG13 ILE B 840 -5.503 16.401 13.164 1.00 20.02 H new ATOM 0 HG21 ILE B 840 -8.358 18.419 13.901 1.00 22.21 H new ATOM 0 HG22 ILE B 840 -8.938 18.427 12.427 1.00 22.21 H new ATOM 0 HG23 ILE B 840 -8.953 17.091 13.277 1.00 22.21 H new ATOM 0 HD11 ILE B 840 -5.522 16.879 15.420 1.00 20.14 H new ATOM 0 HD12 ILE B 840 -5.464 18.231 14.598 1.00 20.14 H new ATOM 0 HD13 ILE B 840 -6.832 17.750 15.235 1.00 20.14 H new ATOM 2683 N PHE B 841 -7.893 18.463 9.752 1.00 21.57 N ATOM 2684 CA PHE B 841 -8.846 19.287 8.907 1.00 23.77 C ATOM 2685 C PHE B 841 -9.016 18.634 7.561 1.00 26.85 C ATOM 2686 O PHE B 841 -10.128 18.589 7.008 1.00 24.29 O ATOM 2687 CB PHE B 841 -8.363 20.720 8.843 1.00 23.59 C ATOM 2688 CG PHE B 841 -8.099 21.294 10.223 1.00 26.35 C ATOM 2689 CD1 PHE B 841 -9.140 21.355 11.155 1.00 26.18 C ATOM 2690 CD2 PHE B 841 -6.810 21.691 10.613 1.00 23.96 C ATOM 2691 CE1 PHE B 841 -8.910 21.776 12.441 1.00 28.22 C ATOM 2692 CE2 PHE B 841 -6.571 22.155 11.910 1.00 25.79 C ATOM 2693 CZ PHE B 841 -7.631 22.212 12.806 1.00 28.39 C ATOM 0 H PHE B 841 -7.100 18.786 9.829 1.00 21.57 H new ATOM 0 HA PHE B 841 -9.729 19.319 9.308 1.00 23.77 H new ATOM 0 HB2 PHE B 841 -7.550 20.763 8.315 1.00 23.59 H new ATOM 0 HB3 PHE B 841 -9.026 21.264 8.389 1.00 23.59 H new ATOM 0 HD1 PHE B 841 -9.999 21.107 10.900 1.00 26.18 H new ATOM 0 HD2 PHE B 841 -6.109 21.645 10.003 1.00 23.96 H new ATOM 0 HE1 PHE B 841 -9.599 21.772 13.065 1.00 28.22 H new ATOM 0 HE2 PHE B 841 -5.718 22.421 12.168 1.00 25.79 H new ATOM 0 HZ PHE B 841 -7.489 22.545 13.662 1.00 28.39 H new ATOM 2694 N HIS B 842 -7.972 17.979 7.054 1.00 25.16 N ATOM 2695 CA HIS B 842 -8.146 17.121 5.845 1.00 24.52 C ATOM 2696 C HIS B 842 -9.158 16.061 5.901 1.00 26.18 C ATOM 2697 O HIS B 842 -10.062 15.931 5.045 1.00 25.46 O ATOM 2698 CB HIS B 842 -6.775 16.576 5.403 1.00 27.82 C ATOM 2699 CG HIS B 842 -6.858 15.608 4.253 1.00 32.78 C ATOM 2700 ND1 HIS B 842 -6.842 16.034 2.941 1.00 36.65 N ATOM 2701 CD2 HIS B 842 -6.979 14.257 4.212 1.00 36.33 C ATOM 2702 CE1 HIS B 842 -6.938 14.997 2.142 1.00 37.33 C ATOM 2703 NE2 HIS B 842 -7.044 13.907 2.878 1.00 42.89 N ATOM 0 H HIS B 842 -7.174 18.006 7.372 1.00 25.16 H new ATOM 0 HA HIS B 842 -8.522 17.717 5.179 1.00 24.52 H new ATOM 0 HB2 HIS B 842 -6.205 17.319 5.151 1.00 27.82 H new ATOM 0 HB3 HIS B 842 -6.351 16.137 6.157 1.00 27.82 H new ATOM 0 HD2 HIS B 842 -7.012 13.680 4.940 1.00 36.33 H new ATOM 0 HE1 HIS B 842 -6.932 15.026 1.212 1.00 37.33 H new ATOM 0 HE2 HIS B 842 -7.138 13.107 2.576 1.00 42.89 H new ATOM 2704 N ASN B 843 -9.061 15.234 6.919 1.00 22.01 N ATOM 2705 CA ASN B 843 -9.941 14.189 7.141 1.00 21.62 C ATOM 2706 C ASN B 843 -11.398 14.686 7.243 1.00 24.54 C ATOM 2707 O ASN B 843 -12.321 14.014 6.796 1.00 24.43 O ATOM 2708 CB ASN B 843 -9.580 13.365 8.365 1.00 24.32 C ATOM 2709 CG ASN B 843 -8.313 12.536 8.172 1.00 27.11 C ATOM 2710 OD1 ASN B 843 -7.819 12.356 7.025 1.00 27.14 O ATOM 2711 ND2 ASN B 843 -7.802 12.010 9.277 1.00 24.17 N ATOM 0 H ASN B 843 -8.441 15.293 7.512 1.00 22.01 H new ATOM 0 HA ASN B 843 -9.864 13.608 6.368 1.00 21.62 H new ATOM 0 HB2 ASN B 843 -9.461 13.957 9.124 1.00 24.32 H new ATOM 0 HB3 ASN B 843 -10.318 12.774 8.580 1.00 24.32 H new ATOM 0 HD21 ASN B 843 -7.098 11.518 9.233 1.00 24.17 H new ATOM 0 HD22 ASN B 843 -8.174 12.161 10.037 1.00 24.17 H new ATOM 2712 N HIS B 844 -11.573 15.801 7.954 1.00 24.46 N ATOM 2713 CA HIS B 844 -12.935 16.386 8.195 1.00 23.21 C ATOM 2714 C HIS B 844 -13.592 16.786 6.805 1.00 23.63 C ATOM 2715 O HIS B 844 -14.698 16.401 6.559 1.00 24.13 O ATOM 2716 CB HIS B 844 -12.794 17.624 9.025 1.00 22.84 C ATOM 2717 CG HIS B 844 -14.076 18.320 9.270 1.00 22.84 C ATOM 2718 ND1 HIS B 844 -14.896 17.981 10.337 1.00 24.60 N ATOM 2719 CD2 HIS B 844 -14.662 19.357 8.634 1.00 22.80 C ATOM 2720 CE1 HIS B 844 -15.982 18.735 10.304 1.00 26.64 C ATOM 2721 NE2 HIS B 844 -15.884 19.563 9.276 1.00 24.48 N ATOM 0 H HIS B 844 -10.930 16.246 8.312 1.00 24.46 H new ATOM 0 HA HIS B 844 -13.491 15.734 8.650 1.00 23.21 H new ATOM 0 HB2 HIS B 844 -12.394 17.390 9.877 1.00 22.84 H new ATOM 0 HB3 HIS B 844 -12.183 18.234 8.582 1.00 22.84 H new ATOM 0 HD2 HIS B 844 -14.321 19.837 7.914 1.00 22.80 H new ATOM 0 HE1 HIS B 844 -16.693 18.691 10.901 1.00 26.64 H new ATOM 0 HE2 HIS B 844 -16.479 20.137 9.041 1.00 24.48 H new ATOM 2722 N LYS B 845 -12.821 17.428 5.975 1.00 24.45 N ATOM 2723 CA LYS B 845 -13.298 17.826 4.569 1.00 27.55 C ATOM 2724 C LYS B 845 -13.542 16.577 3.759 1.00 31.00 C ATOM 2725 O LYS B 845 -14.563 16.502 3.100 1.00 29.11 O ATOM 2726 CB LYS B 845 -12.268 18.729 3.941 1.00 35.26 C ATOM 2727 CG LYS B 845 -12.453 18.976 2.439 1.00 51.95 C ATOM 2728 CD LYS B 845 -11.397 19.887 1.779 1.00 55.58 C ATOM 2729 CE LYS B 845 -9.963 19.368 1.950 1.00 65.36 C ATOM 2730 NZ LYS B 845 -9.759 17.902 1.684 1.00 65.86 N ATOM 0 H LYS B 845 -12.014 17.665 6.156 1.00 24.45 H new ATOM 0 HA LYS B 845 -14.134 18.316 4.608 1.00 27.55 H new ATOM 0 HB2 LYS B 845 -12.284 19.583 4.400 1.00 35.26 H new ATOM 0 HB3 LYS B 845 -11.389 18.345 4.086 1.00 35.26 H new ATOM 0 HG2 LYS B 845 -12.448 18.120 1.984 1.00 51.95 H new ATOM 0 HG3 LYS B 845 -13.329 19.368 2.297 1.00 51.95 H new ATOM 0 HD2 LYS B 845 -11.595 19.969 0.833 1.00 55.58 H new ATOM 0 HD3 LYS B 845 -11.461 20.776 2.161 1.00 55.58 H new ATOM 0 HE2 LYS B 845 -9.383 19.870 1.357 1.00 65.36 H new ATOM 0 HE3 LYS B 845 -9.675 19.558 2.857 1.00 65.36 H new ATOM 0 HZ1 LYS B 845 -8.900 17.697 1.793 1.00 65.86 H new ATOM 0 HZ2 LYS B 845 -10.252 17.426 2.252 1.00 65.86 H new ATOM 0 HZ3 LYS B 845 -10.004 17.715 0.849 1.00 65.86 H new ATOM 2731 N GLU B 846 -12.699 15.530 3.817 1.00 29.57 N ATOM 2732 CA GLU B 846 -12.984 14.301 3.081 1.00 30.99 C ATOM 2733 C GLU B 846 -14.148 13.507 3.514 1.00 33.33 C ATOM 2734 O GLU B 846 -14.689 12.718 2.734 1.00 34.32 O ATOM 2735 CB GLU B 846 -11.749 13.346 2.972 1.00 31.02 C ATOM 2736 CG GLU B 846 -10.578 13.947 2.254 1.00 35.33 C ATOM 2737 CD GLU B 846 -10.824 14.165 0.774 1.00 44.96 C ATOM 2738 OE1 GLU B 846 -11.413 13.267 0.130 1.00 40.58 O ATOM 2739 OE2 GLU B 846 -10.501 15.276 0.293 1.00 47.36 O ATOM 0 H GLU B 846 -11.969 15.518 4.272 1.00 29.57 H new ATOM 0 HA GLU B 846 -13.216 14.667 2.213 1.00 30.99 H new ATOM 0 HB2 GLU B 846 -11.472 13.087 3.865 1.00 31.02 H new ATOM 0 HB3 GLU B 846 -12.018 12.535 2.512 1.00 31.02 H new ATOM 0 HG2 GLU B 846 -10.356 14.796 2.666 1.00 35.33 H new ATOM 0 HG3 GLU B 846 -9.808 13.368 2.365 1.00 35.33 H new ATOM 2740 N PHE B 847 -14.575 13.634 4.770 1.00 24.52 N ATOM 2741 CA PHE B 847 -15.641 12.878 5.224 1.00 23.57 C ATOM 2742 C PHE B 847 -16.982 13.633 4.944 1.00 24.49 C ATOM 2743 O PHE B 847 -17.930 12.996 4.619 1.00 25.43 O ATOM 2744 CB PHE B 847 -15.559 12.590 6.773 1.00 22.70 C ATOM 2745 CG PHE B 847 -16.655 11.733 7.298 1.00 21.77 C ATOM 2746 CD1 PHE B 847 -16.639 10.369 7.141 1.00 23.11 C ATOM 2747 CD2 PHE B 847 -17.684 12.266 8.026 1.00 25.22 C ATOM 2748 CE1 PHE B 847 -17.631 9.578 7.573 1.00 24.47 C ATOM 2749 CE2 PHE B 847 -18.705 11.469 8.484 1.00 28.57 C ATOM 2750 CZ PHE B 847 -18.673 10.107 8.305 1.00 27.26 C ATOM 0 H PHE B 847 -14.233 14.168 5.351 1.00 24.52 H new ATOM 0 HA PHE B 847 -15.606 12.032 4.750 1.00 23.57 H new ATOM 0 HB2 PHE B 847 -14.709 12.164 6.967 1.00 22.70 H new ATOM 0 HB3 PHE B 847 -15.568 13.435 7.249 1.00 22.70 H new ATOM 0 HD1 PHE B 847 -15.909 9.978 6.717 1.00 23.11 H new ATOM 0 HD2 PHE B 847 -17.692 13.177 8.213 1.00 25.22 H new ATOM 0 HE1 PHE B 847 -17.617 8.669 7.378 1.00 24.47 H new ATOM 0 HE2 PHE B 847 -19.428 11.857 8.921 1.00 28.57 H new ATOM 0 HZ PHE B 847 -19.333 9.560 8.666 1.00 27.26 H new ATOM 2751 N TYR B 848 -17.002 14.901 5.294 1.00 24.67 N ATOM 2752 CA TYR B 848 -18.256 15.682 5.241 1.00 26.89 C ATOM 2753 C TYR B 848 -18.515 16.191 3.824 1.00 28.92 C ATOM 2754 O TYR B 848 -19.703 16.386 3.501 1.00 29.54 O ATOM 2755 CB TYR B 848 -18.323 16.814 6.275 1.00 24.16 C ATOM 2756 CG TYR B 848 -18.540 16.233 7.663 1.00 24.59 C ATOM 2757 CD1 TYR B 848 -19.726 15.633 8.043 1.00 21.91 C ATOM 2758 CD2 TYR B 848 -17.483 16.200 8.588 1.00 25.76 C ATOM 2759 CE1 TYR B 848 -19.902 15.042 9.255 1.00 25.90 C ATOM 2760 CE2 TYR B 848 -17.660 15.598 9.821 1.00 23.74 C ATOM 2761 CZ TYR B 848 -18.838 15.043 10.173 1.00 24.12 C ATOM 2762 OH TYR B 848 -19.121 14.467 11.389 1.00 24.75 O ATOM 0 H TYR B 848 -16.315 15.341 5.566 1.00 24.67 H new ATOM 0 HA TYR B 848 -18.970 15.072 5.486 1.00 26.89 H new ATOM 0 HB2 TYR B 848 -17.501 17.329 6.256 1.00 24.16 H new ATOM 0 HB3 TYR B 848 -19.045 17.423 6.054 1.00 24.16 H new ATOM 0 HD1 TYR B 848 -20.436 15.634 7.442 1.00 21.91 H new ATOM 0 HD2 TYR B 848 -16.664 16.583 8.371 1.00 25.76 H new ATOM 0 HE1 TYR B 848 -20.714 14.644 9.473 1.00 25.90 H new ATOM 0 HE2 TYR B 848 -16.950 15.575 10.421 1.00 23.74 H new ATOM 0 HH TYR B 848 -19.698 13.865 11.287 1.00 24.75 H new ATOM 2763 N ARG B 849 -17.471 16.323 3.009 1.00 30.44 N ATOM 2764 CA ARG B 849 -17.593 16.611 1.552 1.00 32.53 C ATOM 2765 C ARG B 849 -18.543 17.758 1.275 1.00 35.27 C ATOM 2766 O ARG B 849 -18.205 18.897 1.612 1.00 34.97 O ATOM 2767 CB ARG B 849 -17.879 15.336 0.788 1.00 33.20 C ATOM 2768 CG ARG B 849 -16.880 14.210 1.167 1.00 36.77 C ATOM 2769 CD ARG B 849 -16.939 12.945 0.302 1.00 38.73 C ATOM 2770 NE ARG B 849 -16.239 13.172 -0.934 1.00 37.97 N ATOM 2771 CZ ARG B 849 -14.909 13.194 -1.116 1.00 43.32 C ATOM 2772 NH1 ARG B 849 -14.041 12.934 -0.125 1.00 39.53 N ATOM 2773 NH2 ARG B 849 -14.416 13.498 -2.325 1.00 37.19 N ATOM 0 H ARG B 849 -16.657 16.249 3.276 1.00 30.44 H new ATOM 0 HA ARG B 849 -16.742 16.934 1.216 1.00 32.53 H new ATOM 0 HB2 ARG B 849 -18.785 15.043 0.973 1.00 33.20 H new ATOM 0 HB3 ARG B 849 -17.826 15.510 -0.165 1.00 33.20 H new ATOM 0 HG2 ARG B 849 -15.981 14.570 1.122 1.00 36.77 H new ATOM 0 HG3 ARG B 849 -17.038 13.958 2.090 1.00 36.77 H new ATOM 0 HD2 ARG B 849 -16.541 12.199 0.777 1.00 38.73 H new ATOM 0 HD3 ARG B 849 -17.862 12.708 0.123 1.00 38.73 H new ATOM 0 HE ARG B 849 -16.724 13.308 -1.631 1.00 37.97 H new ATOM 0 HH11 ARG B 849 -14.331 12.744 0.662 1.00 39.53 H new ATOM 0 HH12 ARG B 849 -13.195 12.957 -0.277 1.00 39.53 H new ATOM 0 HH21 ARG B 849 -14.950 13.677 -2.975 1.00 37.19 H new ATOM 0 HH22 ARG B 849 -13.565 13.515 -2.451 1.00 37.19 H new ATOM 2774 N GLU B 850 -19.688 17.497 0.646 1.00 39.52 N ATOM 2775 CA AGLU B 850 -20.609 18.573 0.248 0.44 37.91 C ATOM 2776 CA BGLU B 850 -20.618 18.567 0.245 0.56 41.04 C ATOM 2777 C GLU B 850 -21.429 19.167 1.399 1.00 40.82 C ATOM 2778 O GLU B 850 -21.967 20.269 1.261 1.00 36.82 O ATOM 2779 CB AGLU B 850 -21.546 18.094 -0.890 0.44 39.46 C ATOM 2780 CB BGLU B 850 -21.557 18.093 -0.908 0.56 47.20 C ATOM 2781 CG AGLU B 850 -21.115 18.544 -2.274 0.44 39.98 C ATOM 2782 CG BGLU B 850 -22.707 17.143 -0.543 0.56 52.38 C ATOM 2783 CD AGLU B 850 -19.699 18.172 -2.641 0.44 41.00 C ATOM 2784 CD BGLU B 850 -22.297 15.680 -0.494 0.56 59.73 C ATOM 2785 OE1AGLU B 850 -18.867 19.090 -2.846 0.44 45.36 O ATOM 2786 OE1BGLU B 850 -22.732 14.915 -1.390 0.56 63.85 O ATOM 2787 OE2AGLU B 850 -19.415 16.966 -2.738 0.44 43.82 O ATOM 2788 OE2BGLU B 850 -21.535 15.305 0.429 0.56 54.50 O ATOM 0 H AGLU B 850 -19.954 16.706 0.439 0.44 39.52 H new ATOM 0 H BGLU B 850 -19.950 16.705 0.439 0.56 39.52 H new ATOM 0 HA AGLU B 850 -20.042 19.294 -0.069 0.44 41.04 H new ATOM 0 HA BGLU B 850 -20.054 19.287 -0.078 0.56 41.04 H new ATOM 0 HB2AGLU B 850 -21.590 17.125 -0.874 0.44 47.20 H new ATOM 0 HB2BGLU B 850 -21.941 18.881 -1.324 0.56 47.20 H new ATOM 0 HB3AGLU B 850 -22.443 18.422 -0.718 0.44 47.20 H new ATOM 0 HB3BGLU B 850 -21.010 17.656 -1.579 0.56 47.20 H new ATOM 0 HG2AGLU B 850 -21.718 18.160 -2.929 0.44 52.38 H new ATOM 0 HG2BGLU B 850 -23.066 17.399 0.321 0.56 52.38 H new ATOM 0 HG3AGLU B 850 -21.210 19.508 -2.332 0.44 52.38 H new ATOM 0 HG3BGLU B 850 -23.422 17.249 -1.190 0.56 52.38 H new ATOM 2789 N ASP B 851 -21.526 18.448 2.527 1.00 35.62 N ATOM 2790 CA ASP B 851 -22.275 18.957 3.673 1.00 35.02 C ATOM 2791 C ASP B 851 -21.707 20.267 4.166 1.00 32.19 C ATOM 2792 O ASP B 851 -20.498 20.504 4.186 1.00 33.50 O ATOM 2793 CB ASP B 851 -22.321 17.940 4.806 1.00 37.78 C ATOM 2794 CG ASP B 851 -23.408 18.267 5.881 1.00 39.39 C ATOM 2795 OD1 ASP B 851 -23.301 19.252 6.666 1.00 33.42 O ATOM 2796 OD2 ASP B 851 -24.356 17.478 5.961 1.00 40.60 O ATOM 0 H ASP B 851 -21.169 17.674 2.643 1.00 35.62 H new ATOM 0 HA ASP B 851 -23.183 19.115 3.371 1.00 35.02 H new ATOM 0 HB2 ASP B 851 -22.494 17.060 4.436 1.00 37.78 H new ATOM 0 HB3 ASP B 851 -21.452 17.902 5.234 1.00 37.78 H new ATOM 2797 N LYS B 852 -22.575 21.181 4.572 1.00 26.40 N ATOM 2798 CA LYS B 852 -22.112 22.447 5.044 1.00 27.38 C ATOM 2799 C LYS B 852 -21.226 22.418 6.321 1.00 24.84 C ATOM 2800 O LYS B 852 -20.569 23.401 6.672 1.00 28.80 O ATOM 2801 CB LYS B 852 -23.322 23.366 5.267 1.00 31.37 C ATOM 2802 CG LYS B 852 -24.244 22.827 6.333 1.00 34.56 C ATOM 2803 CD LYS B 852 -25.407 23.805 6.612 1.00 40.09 C ATOM 2804 CE LYS B 852 -26.506 23.120 7.425 1.00 43.10 C ATOM 2805 NZ LYS B 852 -27.647 24.019 7.703 1.00 40.33 N ATOM 0 H LYS B 852 -23.429 21.078 4.578 1.00 26.40 H new ATOM 0 HA LYS B 852 -21.521 22.781 4.351 1.00 27.38 H new ATOM 0 HB2 LYS B 852 -23.015 24.250 5.522 1.00 31.37 H new ATOM 0 HB3 LYS B 852 -23.811 23.465 4.435 1.00 31.37 H new ATOM 0 HG2 LYS B 852 -24.600 21.969 6.053 1.00 34.56 H new ATOM 0 HG3 LYS B 852 -23.744 22.674 7.150 1.00 34.56 H new ATOM 0 HD2 LYS B 852 -25.076 24.579 7.094 1.00 40.09 H new ATOM 0 HD3 LYS B 852 -25.772 24.128 5.773 1.00 40.09 H new ATOM 0 HE2 LYS B 852 -26.822 22.340 6.943 1.00 43.10 H new ATOM 0 HE3 LYS B 852 -26.135 22.804 8.264 1.00 43.10 H new ATOM 0 HZ1 LYS B 852 -28.261 23.582 8.176 1.00 40.33 H new ATOM 0 HZ2 LYS B 852 -27.363 24.725 8.165 1.00 40.33 H new ATOM 0 HZ3 LYS B 852 -28.004 24.292 6.935 1.00 40.33 H new ATOM 2806 N PHE B 853 -21.299 21.278 6.994 1.00 26.22 N ATOM 2807 CA PHE B 853 -20.494 21.030 8.239 1.00 24.91 C ATOM 2808 C PHE B 853 -19.006 21.042 7.884 1.00 26.31 C ATOM 2809 O PHE B 853 -18.173 21.389 8.727 1.00 24.19 O ATOM 2810 CB PHE B 853 -20.980 19.758 8.867 1.00 25.76 C ATOM 2811 CG PHE B 853 -20.437 19.533 10.275 1.00 23.22 C ATOM 2812 CD1 PHE B 853 -20.682 20.466 11.287 1.00 25.21 C ATOM 2813 CD2 PHE B 853 -19.615 18.487 10.550 1.00 23.41 C ATOM 2814 CE1 PHE B 853 -20.187 20.263 12.561 1.00 26.09 C ATOM 2815 CE2 PHE B 853 -19.130 18.262 11.830 1.00 23.83 C ATOM 2816 CZ PHE B 853 -19.417 19.182 12.846 1.00 24.17 C ATOM 0 H PHE B 853 -21.803 20.620 6.764 1.00 26.22 H new ATOM 0 HA PHE B 853 -20.611 21.728 8.902 1.00 24.91 H new ATOM 0 HB2 PHE B 853 -21.949 19.771 8.899 1.00 25.76 H new ATOM 0 HB3 PHE B 853 -20.725 19.009 8.305 1.00 25.76 H new ATOM 0 HD1 PHE B 853 -21.181 21.228 11.101 1.00 25.21 H new ATOM 0 HD2 PHE B 853 -19.372 17.908 9.864 1.00 23.41 H new ATOM 0 HE1 PHE B 853 -20.384 20.875 13.233 1.00 26.09 H new ATOM 0 HE2 PHE B 853 -18.619 17.507 12.012 1.00 23.83 H new ATOM 0 HZ PHE B 853 -19.084 19.054 13.705 1.00 24.17 H new ATOM 2817 N THR B 854 -18.684 20.845 6.597 1.00 27.83 N ATOM 2818 CA ATHR B 854 -17.280 21.004 6.086 0.45 28.41 C ATOM 2819 CA BTHR B 854 -17.289 20.978 6.169 0.55 27.31 C ATOM 2820 C THR B 854 -16.686 22.322 6.527 1.00 26.06 C ATOM 2821 O THR B 854 -15.466 22.429 6.835 1.00 24.03 O ATOM 2822 CB ATHR B 854 -17.155 20.904 4.518 0.45 30.72 C ATOM 2823 CB BTHR B 854 -17.137 20.652 4.664 0.55 26.28 C ATOM 2824 OG1ATHR B 854 -15.814 20.591 4.105 0.45 31.04 O ATOM 2825 OG1BTHR B 854 -18.085 21.432 3.908 0.55 37.73 O ATOM 2826 CG2ATHR B 854 -17.534 22.266 3.833 0.45 31.55 C ATOM 2827 CG2BTHR B 854 -17.407 19.300 4.445 0.55 21.82 C ATOM 0 H ATHR B 854 -19.253 20.619 5.994 0.45 27.83 H new ATOM 0 H BTHR B 854 -19.242 20.640 5.975 0.55 27.83 H new ATOM 0 HA ATHR B 854 -16.791 20.260 6.470 0.45 27.31 H new ATOM 0 HA BTHR B 854 -16.777 20.322 6.667 0.55 27.31 H new ATOM 0 HB ATHR B 854 -17.762 20.197 4.249 0.45 26.28 H new ATOM 0 HB BTHR B 854 -16.231 20.859 4.386 0.55 26.28 H new ATOM 0 HG1ATHR B 854 -15.783 20.544 3.267 0.45 37.73 H new ATOM 0 HG1BTHR B 854 -18.844 21.075 3.956 0.55 37.73 H new ATOM 0 HG21ATHR B 854 -17.449 22.179 2.871 0.45 21.82 H new ATOM 0 HG21BTHR B 854 -17.311 19.099 3.501 0.55 21.82 H new ATOM 0 HG22ATHR B 854 -18.449 22.498 4.057 0.45 21.82 H new ATOM 0 HG22BTHR B 854 -16.784 18.759 4.955 0.55 21.82 H new ATOM 0 HG23ATHR B 854 -16.938 22.964 4.148 0.45 21.82 H new ATOM 0 HG23BTHR B 854 -18.314 19.101 4.727 0.55 21.82 H new ATOM 2828 N ARG B 855 -17.509 23.393 6.556 1.00 24.15 N ATOM 2829 CA ARG B 855 -17.040 24.709 6.858 1.00 24.04 C ATOM 2830 C ARG B 855 -16.377 24.821 8.265 1.00 24.60 C ATOM 2831 O ARG B 855 -15.545 25.664 8.423 1.00 24.16 O ATOM 2832 CB ARG B 855 -18.193 25.719 6.710 1.00 29.15 C ATOM 2833 CG ARG B 855 -17.879 27.136 7.016 1.00 35.14 C ATOM 2834 CD ARG B 855 -19.093 28.026 6.574 1.00 40.49 C ATOM 2835 NE ARG B 855 -18.920 29.442 6.946 1.00 52.04 N ATOM 2836 CZ ARG B 855 -19.419 30.075 8.023 1.00 54.03 C ATOM 2837 NH1 ARG B 855 -20.236 29.479 8.941 1.00 48.76 N ATOM 2838 NH2 ARG B 855 -19.123 31.369 8.158 1.00 53.61 N ATOM 0 H ARG B 855 -18.353 23.349 6.397 1.00 24.15 H new ATOM 0 HA ARG B 855 -16.340 24.916 6.219 1.00 24.04 H new ATOM 0 HB2 ARG B 855 -18.522 25.672 5.799 1.00 29.15 H new ATOM 0 HB3 ARG B 855 -18.919 25.438 7.289 1.00 29.15 H new ATOM 0 HG2 ARG B 855 -17.709 27.246 7.965 1.00 35.14 H new ATOM 0 HG3 ARG B 855 -17.074 27.410 6.550 1.00 35.14 H new ATOM 0 HD2 ARG B 855 -19.207 27.959 5.613 1.00 40.49 H new ATOM 0 HD3 ARG B 855 -19.905 27.685 6.980 1.00 40.49 H new ATOM 0 HE ARG B 855 -18.444 29.919 6.412 1.00 52.04 H new ATOM 0 HH11 ARG B 855 -20.458 28.654 8.847 1.00 48.76 H new ATOM 0 HH12 ARG B 855 -20.528 29.929 9.613 1.00 48.76 H new ATOM 0 HH21 ARG B 855 -18.633 31.762 7.570 1.00 53.61 H new ATOM 0 HH22 ARG B 855 -19.422 31.810 8.833 1.00 53.61 H new ATOM 2839 N LEU B 856 -16.795 23.985 9.222 1.00 23.31 N ATOM 2840 CA LEU B 856 -16.170 24.001 10.573 1.00 26.49 C ATOM 2841 C LEU B 856 -14.651 23.712 10.486 1.00 23.57 C ATOM 2842 O LEU B 856 -13.851 24.344 11.175 1.00 26.99 O ATOM 2843 CB LEU B 856 -16.848 23.011 11.500 1.00 26.11 C ATOM 2844 CG LEU B 856 -18.015 23.531 12.360 1.00 32.05 C ATOM 2845 CD1 LEU B 856 -17.580 24.793 13.141 1.00 32.71 C ATOM 2846 CD2 LEU B 856 -19.193 23.851 11.454 1.00 32.26 C ATOM 0 H LEU B 856 -17.425 23.409 9.122 1.00 23.31 H new ATOM 0 HA LEU B 856 -16.289 24.890 10.942 1.00 26.49 H new ATOM 0 HB2 LEU B 856 -17.177 22.274 10.962 1.00 26.11 H new ATOM 0 HB3 LEU B 856 -16.174 22.649 12.096 1.00 26.11 H new ATOM 0 HG LEU B 856 -18.276 22.851 13.001 1.00 32.05 H new ATOM 0 HD11 LEU B 856 -18.321 25.112 13.679 1.00 32.71 H new ATOM 0 HD12 LEU B 856 -16.832 24.574 13.719 1.00 32.71 H new ATOM 0 HD13 LEU B 856 -17.313 25.485 12.516 1.00 32.71 H new ATOM 0 HD21 LEU B 856 -19.933 24.179 11.989 1.00 32.26 H new ATOM 0 HD22 LEU B 856 -18.933 24.530 10.812 1.00 32.26 H new ATOM 0 HD23 LEU B 856 -19.466 23.048 10.983 1.00 32.26 H new ATOM 2847 N GLY B 857 -14.326 22.813 9.583 1.00 25.72 N ATOM 2848 CA GLY B 857 -12.922 22.380 9.368 1.00 24.65 C ATOM 2849 C GLY B 857 -12.130 23.505 8.761 1.00 26.88 C ATOM 2850 O GLY B 857 -11.042 23.834 9.205 1.00 28.13 O ATOM 0 H GLY B 857 -14.896 22.426 9.069 1.00 25.72 H new ATOM 0 HA2 GLY B 857 -12.525 22.112 10.211 1.00 24.65 H new ATOM 0 HA3 GLY B 857 -12.899 21.605 8.784 1.00 24.65 H new ATOM 2851 N ILE B 858 -12.719 24.217 7.765 1.00 24.82 N ATOM 2852 CA ILE B 858 -12.080 25.389 7.246 1.00 23.87 C ATOM 2853 C ILE B 858 -11.891 26.493 8.261 1.00 24.37 C ATOM 2854 O ILE B 858 -10.854 27.154 8.319 1.00 24.10 O ATOM 2855 CB ILE B 858 -12.903 25.946 5.976 1.00 28.76 C ATOM 2856 CG1 ILE B 858 -12.922 24.907 4.858 1.00 38.81 C ATOM 2857 CG2 ILE B 858 -12.264 27.235 5.485 1.00 29.63 C ATOM 2858 CD1 ILE B 858 -14.067 25.102 3.865 1.00 45.54 C ATOM 0 H ILE B 858 -13.473 24.020 7.401 1.00 24.82 H new ATOM 0 HA ILE B 858 -11.188 25.113 6.982 1.00 23.87 H new ATOM 0 HB ILE B 858 -13.818 26.124 6.243 1.00 28.76 H new ATOM 0 HG12 ILE B 858 -12.079 24.942 4.380 1.00 38.81 H new ATOM 0 HG13 ILE B 858 -12.990 24.022 5.249 1.00 38.81 H new ATOM 0 HG21 ILE B 858 -12.758 27.571 4.721 1.00 29.63 H new ATOM 0 HG22 ILE B 858 -12.280 27.895 6.195 1.00 29.63 H new ATOM 0 HG23 ILE B 858 -11.346 27.062 5.225 1.00 29.63 H new ATOM 0 HD11 ILE B 858 -14.024 24.414 3.182 1.00 45.54 H new ATOM 0 HD12 ILE B 858 -14.915 25.041 4.332 1.00 45.54 H new ATOM 0 HD13 ILE B 858 -13.990 25.975 3.449 1.00 45.54 H new ATOM 2859 N GLN B 859 -12.919 26.748 9.098 1.00 24.86 N ATOM 2860 CA GLN B 859 -12.773 27.772 10.086 1.00 25.57 C ATOM 2861 C GLN B 859 -11.634 27.538 11.168 1.00 22.42 C ATOM 2862 O GLN B 859 -10.894 28.434 11.523 1.00 23.09 O ATOM 2863 CB GLN B 859 -14.115 27.903 10.830 1.00 26.21 C ATOM 2864 CG GLN B 859 -15.173 28.537 9.884 1.00 31.48 C ATOM 2865 CD GLN B 859 -16.512 28.691 10.557 1.00 34.04 C ATOM 2866 OE1 GLN B 859 -17.044 27.733 11.139 1.00 35.70 O ATOM 2867 NE2 GLN B 859 -17.055 29.908 10.517 1.00 38.31 N ATOM 0 H GLN B 859 -13.676 26.341 9.093 1.00 24.86 H new ATOM 0 HA GLN B 859 -12.510 28.570 9.601 1.00 25.57 H new ATOM 0 HB2 GLN B 859 -14.416 27.031 11.130 1.00 26.21 H new ATOM 0 HB3 GLN B 859 -14.005 28.452 11.622 1.00 26.21 H new ATOM 0 HG2 GLN B 859 -14.860 29.405 9.586 1.00 31.48 H new ATOM 0 HG3 GLN B 859 -15.271 27.984 9.093 1.00 31.48 H new ATOM 0 HE21 GLN B 859 -16.653 30.545 10.102 1.00 38.31 H new ATOM 0 HE22 GLN B 859 -17.808 30.056 10.906 1.00 38.31 H new ATOM 2868 N VAL B 860 -11.595 26.334 11.680 1.00 24.01 N ATOM 2869 CA VAL B 860 -10.623 26.003 12.722 1.00 23.22 C ATOM 2870 C VAL B 860 -9.233 25.909 12.068 1.00 20.63 C ATOM 2871 O VAL B 860 -8.312 26.394 12.667 1.00 21.44 O ATOM 2872 CB VAL B 860 -11.035 24.750 13.468 1.00 23.80 C ATOM 2873 CG1 VAL B 860 -9.990 24.335 14.527 1.00 24.24 C ATOM 2874 CG2 VAL B 860 -12.399 24.958 14.178 1.00 21.97 C ATOM 0 H VAL B 860 -12.114 25.688 11.449 1.00 24.01 H new ATOM 0 HA VAL B 860 -10.588 26.697 13.399 1.00 23.22 H new ATOM 0 HB VAL B 860 -11.106 24.045 12.805 1.00 23.80 H new ATOM 0 HG11 VAL B 860 -10.290 23.532 14.981 1.00 24.24 H new ATOM 0 HG12 VAL B 860 -9.140 24.162 14.093 1.00 24.24 H new ATOM 0 HG13 VAL B 860 -9.883 25.050 15.174 1.00 24.24 H new ATOM 0 HG21 VAL B 860 -12.646 24.147 14.649 1.00 21.97 H new ATOM 0 HG22 VAL B 860 -12.326 25.690 14.811 1.00 21.97 H new ATOM 0 HG23 VAL B 860 -13.079 25.168 13.518 1.00 21.97 H new ATOM 2875 N GLN B 861 -9.147 25.376 10.837 1.00 22.12 N ATOM 2876 CA GLN B 861 -7.852 25.403 10.077 1.00 22.37 C ATOM 2877 C GLN B 861 -7.341 26.811 9.934 1.00 24.71 C ATOM 2878 O GLN B 861 -6.155 27.157 10.143 1.00 23.94 O ATOM 2879 CB GLN B 861 -7.903 24.636 8.777 1.00 25.28 C ATOM 2880 CG GLN B 861 -6.437 24.605 8.237 1.00 28.80 C ATOM 2881 CD GLN B 861 -6.147 23.536 7.199 1.00 34.86 C ATOM 2882 OE1 GLN B 861 -7.028 22.797 6.742 1.00 35.89 O ATOM 2883 NE2 GLN B 861 -4.849 23.444 6.827 1.00 37.56 N ATOM 0 H GLN B 861 -9.801 25.001 10.423 1.00 22.12 H new ATOM 0 HA GLN B 861 -7.197 24.921 10.606 1.00 22.37 H new ATOM 0 HB2 GLN B 861 -8.240 23.737 8.917 1.00 25.28 H new ATOM 0 HB3 GLN B 861 -8.498 25.067 8.143 1.00 25.28 H new ATOM 0 HG2 GLN B 861 -6.232 25.472 7.852 1.00 28.80 H new ATOM 0 HG3 GLN B 861 -5.835 24.478 8.987 1.00 28.80 H new ATOM 0 HE21 GLN B 861 -4.265 23.976 7.167 1.00 37.56 H new ATOM 0 HE22 GLN B 861 -4.608 22.853 6.250 1.00 37.56 H new ATOM 2884 N ASP B 862 -8.226 27.753 9.632 1.00 25.75 N ATOM 2885 CA AASP B 862 -7.734 29.092 9.534 0.50 25.24 C ATOM 2886 CA BASP B 862 -7.786 29.127 9.561 0.50 25.86 C ATOM 2887 C ASP B 862 -7.204 29.680 10.818 1.00 24.80 C ATOM 2888 O ASP B 862 -6.218 30.448 10.793 1.00 26.40 O ATOM 2889 CB AASP B 862 -8.727 29.985 8.778 0.50 29.06 C ATOM 2890 CB BASP B 862 -8.919 30.051 9.139 0.50 30.14 C ATOM 2891 CG AASP B 862 -8.465 29.945 7.261 0.50 30.99 C ATOM 2892 CG BASP B 862 -8.426 31.458 8.851 0.50 35.47 C ATOM 2893 OD1AASP B 862 -8.719 28.904 6.619 0.50 31.36 O ATOM 2894 OD1BASP B 862 -7.302 31.610 8.307 0.50 39.80 O ATOM 2895 OD2AASP B 862 -7.912 30.930 6.735 0.50 43.14 O ATOM 2896 OD2BASP B 862 -9.155 32.424 9.160 0.50 40.38 O ATOM 0 H AASP B 862 -9.066 27.638 9.489 0.50 25.75 H new ATOM 0 H BASP B 862 -9.060 27.619 9.470 0.50 25.75 H new ATOM 0 HA AASP B 862 -6.928 29.048 8.996 0.50 25.86 H new ATOM 0 HA BASP B 862 -7.077 29.098 8.900 0.50 25.86 H new ATOM 0 HB2AASP B 862 -9.634 29.692 8.960 0.50 30.14 H new ATOM 0 HB2BASP B 862 -9.351 29.692 8.348 0.50 30.14 H new ATOM 0 HB3AASP B 862 -8.654 30.898 9.098 0.50 30.14 H new ATOM 0 HB3BASP B 862 -9.589 30.081 9.839 0.50 30.14 H new ATOM 2897 N ILE B 863 -7.799 29.327 11.973 1.00 22.63 N ATOM 2898 CA ILE B 863 -7.251 29.707 13.277 1.00 24.56 C ATOM 2899 C ILE B 863 -5.824 29.077 13.415 1.00 20.38 C ATOM 2900 O ILE B 863 -4.901 29.773 13.807 1.00 22.42 O ATOM 2901 CB ILE B 863 -8.195 29.217 14.403 1.00 27.56 C ATOM 2902 CG1 ILE B 863 -9.599 29.882 14.300 1.00 35.38 C ATOM 2903 CG2 ILE B 863 -7.549 29.271 15.782 1.00 27.73 C ATOM 2904 CD1 ILE B 863 -9.515 31.311 14.681 1.00 39.15 C ATOM 0 H ILE B 863 -8.523 28.866 12.016 1.00 22.63 H new ATOM 0 HA ILE B 863 -7.180 30.672 13.351 1.00 24.56 H new ATOM 0 HB ILE B 863 -8.355 28.270 14.267 1.00 27.56 H new ATOM 0 HG12 ILE B 863 -9.937 29.801 13.395 1.00 35.38 H new ATOM 0 HG13 ILE B 863 -10.226 29.422 14.880 1.00 35.38 H new ATOM 0 HG21 ILE B 863 -8.180 28.955 16.448 1.00 27.73 H new ATOM 0 HG22 ILE B 863 -6.760 28.707 15.792 1.00 27.73 H new ATOM 0 HG23 ILE B 863 -7.296 30.185 15.985 1.00 27.73 H new ATOM 0 HD11 ILE B 863 -10.394 31.716 14.614 1.00 39.15 H new ATOM 0 HD12 ILE B 863 -9.195 31.384 15.594 1.00 39.15 H new ATOM 0 HD13 ILE B 863 -8.902 31.769 14.086 1.00 39.15 H new ATOM 2905 N PHE B 864 -5.726 27.808 13.099 1.00 21.37 N ATOM 2906 CA PHE B 864 -4.369 27.146 13.209 1.00 21.61 C ATOM 2907 C PHE B 864 -3.358 27.871 12.348 1.00 21.58 C ATOM 2908 O PHE B 864 -2.339 28.297 12.824 1.00 21.84 O ATOM 2909 CB PHE B 864 -4.513 25.727 12.791 1.00 20.53 C ATOM 2910 CG PHE B 864 -3.192 25.047 12.635 1.00 21.28 C ATOM 2911 CD1 PHE B 864 -2.391 24.813 13.783 1.00 23.09 C ATOM 2912 CD2 PHE B 864 -2.685 24.837 11.370 1.00 22.74 C ATOM 2913 CE1 PHE B 864 -1.145 24.193 13.654 1.00 22.17 C ATOM 2914 CE2 PHE B 864 -1.445 24.217 11.231 1.00 25.73 C ATOM 2915 CZ PHE B 864 -0.660 23.935 12.345 1.00 22.19 C ATOM 0 H PHE B 864 -6.371 27.306 12.830 1.00 21.37 H new ATOM 0 HA PHE B 864 -4.047 27.184 14.123 1.00 21.61 H new ATOM 0 HB2 PHE B 864 -5.044 25.251 13.448 1.00 20.53 H new ATOM 0 HB3 PHE B 864 -4.997 25.687 11.951 1.00 20.53 H new ATOM 0 HD1 PHE B 864 -2.696 25.073 14.622 1.00 23.09 H new ATOM 0 HD2 PHE B 864 -3.164 25.106 10.620 1.00 22.74 H new ATOM 0 HE1 PHE B 864 -0.648 23.956 14.404 1.00 22.17 H new ATOM 0 HE2 PHE B 864 -1.138 23.989 10.383 1.00 25.73 H new ATOM 0 HZ PHE B 864 0.190 23.574 12.231 1.00 22.19 H new ATOM 2916 N GLU B 865 -3.732 28.167 11.091 1.00 21.51 N ATOM 2917 CA GLU B 865 -2.718 28.711 10.144 1.00 23.52 C ATOM 2918 C GLU B 865 -2.296 30.145 10.465 1.00 24.80 C ATOM 2919 O GLU B 865 -1.135 30.470 10.435 1.00 22.64 O ATOM 2920 CB GLU B 865 -3.231 28.571 8.707 1.00 22.93 C ATOM 2921 CG GLU B 865 -3.440 27.185 8.167 1.00 28.23 C ATOM 2922 CD GLU B 865 -2.164 26.320 7.956 1.00 28.79 C ATOM 2923 OE1 GLU B 865 -1.037 26.873 8.030 1.00 33.15 O ATOM 2924 OE2 GLU B 865 -2.347 25.108 7.717 1.00 27.73 O ATOM 0 H GLU B 865 -4.525 28.069 10.772 1.00 21.51 H new ATOM 0 HA GLU B 865 -1.910 28.184 10.245 1.00 23.52 H new ATOM 0 HB2 GLU B 865 -4.075 29.045 8.645 1.00 22.93 H new ATOM 0 HB3 GLU B 865 -2.606 29.027 8.122 1.00 22.93 H new ATOM 0 HG2 GLU B 865 -4.032 26.710 8.771 1.00 28.23 H new ATOM 0 HG3 GLU B 865 -3.901 27.257 7.317 1.00 28.23 H new ATOM 2925 N LYS B 866 -3.243 30.990 10.921 1.00 24.70 N ATOM 2926 CA LYS B 866 -2.910 32.356 11.357 1.00 28.39 C ATOM 2927 C LYS B 866 -2.016 32.334 12.562 1.00 24.14 C ATOM 2928 O LYS B 866 -1.072 33.089 12.633 1.00 26.93 O ATOM 2929 CB LYS B 866 -4.165 33.161 11.703 1.00 33.72 C ATOM 2930 CG LYS B 866 -5.048 33.475 10.526 1.00 49.29 C ATOM 2931 CD LYS B 866 -6.367 34.103 11.037 1.00 59.76 C ATOM 2932 CE LYS B 866 -6.936 35.138 10.084 1.00 60.23 C ATOM 2933 NZ LYS B 866 -7.432 34.512 8.841 1.00 59.65 N ATOM 0 H LYS B 866 -4.077 30.789 10.984 1.00 24.70 H new ATOM 0 HA LYS B 866 -2.453 32.779 10.613 1.00 28.39 H new ATOM 0 HB2 LYS B 866 -4.682 32.667 12.358 1.00 33.72 H new ATOM 0 HB3 LYS B 866 -3.896 33.993 12.123 1.00 33.72 H new ATOM 0 HG2 LYS B 866 -4.597 34.087 9.923 1.00 49.29 H new ATOM 0 HG3 LYS B 866 -5.235 32.667 10.023 1.00 49.29 H new ATOM 0 HD2 LYS B 866 -7.022 33.401 11.174 1.00 59.76 H new ATOM 0 HD3 LYS B 866 -6.210 34.517 11.900 1.00 59.76 H new ATOM 0 HE2 LYS B 866 -7.660 35.617 10.518 1.00 60.23 H new ATOM 0 HE3 LYS B 866 -6.253 35.792 9.868 1.00 60.23 H new ATOM 0 HZ1 LYS B 866 -7.665 35.146 8.262 1.00 59.65 H new ATOM 0 HZ2 LYS B 866 -6.790 34.008 8.486 1.00 59.65 H new ATOM 0 HZ3 LYS B 866 -8.140 34.005 9.026 1.00 59.65 H new ATOM 2934 N ASN B 867 -2.271 31.425 13.522 1.00 25.14 N ATOM 2935 CA ASN B 867 -1.402 31.393 14.714 1.00 22.17 C ATOM 2936 C ASN B 867 -0.008 30.807 14.366 1.00 18.85 C ATOM 2937 O ASN B 867 0.964 31.246 14.921 1.00 25.34 O ATOM 2938 CB ASN B 867 -2.092 30.615 15.889 1.00 23.12 C ATOM 2939 CG ASN B 867 -3.149 31.513 16.623 1.00 23.81 C ATOM 2940 OD1 ASN B 867 -2.744 32.424 17.331 1.00 29.28 O ATOM 2941 ND2 ASN B 867 -4.422 31.357 16.270 1.00 26.63 N ATOM 0 H ASN B 867 -2.908 30.847 13.506 1.00 25.14 H new ATOM 0 HA ASN B 867 -1.263 32.304 15.017 1.00 22.17 H new ATOM 0 HB2 ASN B 867 -2.525 29.819 15.543 1.00 23.12 H new ATOM 0 HB3 ASN B 867 -1.420 30.319 16.523 1.00 23.12 H new ATOM 0 HD21 ASN B 867 -5.015 31.917 16.543 1.00 26.63 H new ATOM 0 HD22 ASN B 867 -4.652 30.697 15.769 1.00 26.63 H new ATOM 2942 N PHE B 868 0.021 29.871 13.441 1.00 22.13 N ATOM 2943 CA PHE B 868 1.289 29.273 13.016 1.00 21.02 C ATOM 2944 C PHE B 868 2.198 30.366 12.448 1.00 23.31 C ATOM 2945 O PHE B 868 3.321 30.552 12.855 1.00 23.80 O ATOM 2946 CB PHE B 868 1.004 28.214 11.992 1.00 21.97 C ATOM 2947 CG PHE B 868 2.215 27.545 11.388 1.00 24.67 C ATOM 2948 CD1 PHE B 868 3.211 26.954 12.166 1.00 23.37 C ATOM 2949 CD2 PHE B 868 2.354 27.499 10.009 1.00 30.57 C ATOM 2950 CE1 PHE B 868 4.331 26.349 11.581 1.00 25.11 C ATOM 2951 CE2 PHE B 868 3.513 26.925 9.438 1.00 33.86 C ATOM 2952 CZ PHE B 868 4.461 26.317 10.226 1.00 26.86 C ATOM 0 H PHE B 868 -0.675 29.562 13.042 1.00 22.13 H new ATOM 0 HA PHE B 868 1.744 28.863 13.768 1.00 21.02 H new ATOM 0 HB2 PHE B 868 0.449 27.532 12.402 1.00 21.97 H new ATOM 0 HB3 PHE B 868 0.484 28.611 11.276 1.00 21.97 H new ATOM 0 HD1 PHE B 868 3.130 26.962 13.092 1.00 23.37 H new ATOM 0 HD2 PHE B 868 1.687 27.845 9.461 1.00 30.57 H new ATOM 0 HE1 PHE B 868 4.987 25.968 12.119 1.00 25.11 H new ATOM 0 HE2 PHE B 868 3.636 26.959 8.517 1.00 33.86 H new ATOM 0 HZ PHE B 868 5.187 25.886 9.836 1.00 26.86 H new ATOM 2953 N ARG B 869 1.648 31.146 11.512 1.00 25.00 N ATOM 2954 CA ARG B 869 2.444 32.249 10.919 1.00 25.45 C ATOM 2955 C ARG B 869 2.864 33.270 11.934 1.00 28.75 C ATOM 2956 O ARG B 869 3.951 33.777 11.886 1.00 28.33 O ATOM 2957 CB ARG B 869 1.697 32.872 9.711 1.00 28.55 C ATOM 2958 CG ARG B 869 1.494 31.891 8.593 1.00 28.58 C ATOM 2959 CD ARG B 869 0.910 32.547 7.336 1.00 34.35 C ATOM 2960 NE ARG B 869 -0.311 33.281 7.648 1.00 32.99 N ATOM 2961 CZ ARG B 869 -1.536 32.800 7.466 1.00 39.17 C ATOM 2962 NH1 ARG B 869 -1.757 31.563 6.969 1.00 36.52 N ATOM 2963 NH2 ARG B 869 -2.575 33.563 7.777 1.00 38.97 N ATOM 0 H ARG B 869 0.847 31.065 11.210 1.00 25.00 H new ATOM 0 HA ARG B 869 3.272 31.869 10.585 1.00 25.45 H new ATOM 0 HB2 ARG B 869 0.835 33.206 10.005 1.00 28.55 H new ATOM 0 HB3 ARG B 869 2.199 33.634 9.382 1.00 28.55 H new ATOM 0 HG2 ARG B 869 2.342 31.476 8.373 1.00 28.58 H new ATOM 0 HG3 ARG B 869 0.901 31.184 8.891 1.00 28.58 H new ATOM 0 HD2 ARG B 869 1.564 33.150 6.948 1.00 34.35 H new ATOM 0 HD3 ARG B 869 0.721 31.867 6.670 1.00 34.35 H new ATOM 0 HE ARG B 869 -0.233 34.075 7.970 1.00 32.99 H new ATOM 0 HH11 ARG B 869 -1.093 31.059 6.759 1.00 36.52 H new ATOM 0 HH12 ARG B 869 -2.562 31.280 6.863 1.00 36.52 H new ATOM 0 HH21 ARG B 869 -2.449 34.354 8.090 1.00 38.97 H new ATOM 0 HH22 ARG B 869 -3.375 33.267 7.665 1.00 38.97 H new ATOM 2964 N ASN B 870 2.014 33.583 12.895 1.00 28.14 N ATOM 2965 CA ASN B 870 2.363 34.565 13.885 1.00 30.59 C ATOM 2966 C ASN B 870 3.396 34.085 14.866 1.00 32.00 C ATOM 2967 O ASN B 870 4.304 34.772 15.175 1.00 29.56 O ATOM 2968 CB ASN B 870 1.140 34.910 14.672 1.00 33.76 C ATOM 2969 CG ASN B 870 1.402 35.976 15.668 1.00 44.43 C ATOM 2970 OD1 ASN B 870 1.393 35.736 16.883 1.00 58.10 O ATOM 2971 ND2 ASN B 870 1.691 37.159 15.176 1.00 54.42 N ATOM 0 H ASN B 870 1.232 33.236 12.987 1.00 28.14 H new ATOM 0 HA ASN B 870 2.730 35.323 13.403 1.00 30.59 H new ATOM 0 HB2 ASN B 870 0.438 35.199 14.068 1.00 33.76 H new ATOM 0 HB3 ASN B 870 0.815 34.117 15.126 1.00 33.76 H new ATOM 0 HD21 ASN B 870 1.885 37.809 15.705 1.00 54.42 H new ATOM 0 HD22 ASN B 870 1.686 37.284 14.325 1.00 54.42 H new ATOM 2972 N ILE B 871 3.203 32.874 15.394 1.00 27.36 N ATOM 2973 CA ILE B 871 4.132 32.324 16.439 1.00 27.58 C ATOM 2974 C ILE B 871 5.523 32.074 15.853 1.00 26.50 C ATOM 2975 O ILE B 871 6.509 32.339 16.511 1.00 30.04 O ATOM 2976 CB ILE B 871 3.524 31.045 17.051 1.00 27.40 C ATOM 2977 CG1 ILE B 871 2.332 31.421 17.861 1.00 28.55 C ATOM 2978 CG2 ILE B 871 4.539 30.285 17.953 1.00 30.92 C ATOM 2979 CD1 ILE B 871 1.404 30.252 18.142 1.00 28.02 C ATOM 0 H ILE B 871 2.557 32.350 15.177 1.00 27.36 H new ATOM 0 HA ILE B 871 4.239 32.976 17.149 1.00 27.58 H new ATOM 0 HB ILE B 871 3.278 30.452 16.324 1.00 27.40 H new ATOM 0 HG12 ILE B 871 2.628 31.801 18.703 1.00 28.55 H new ATOM 0 HG13 ILE B 871 1.838 32.114 17.395 1.00 28.55 H new ATOM 0 HG21 ILE B 871 4.118 29.490 18.316 1.00 30.92 H new ATOM 0 HG22 ILE B 871 5.312 30.028 17.426 1.00 30.92 H new ATOM 0 HG23 ILE B 871 4.821 30.862 18.680 1.00 30.92 H new ATOM 0 HD11 ILE B 871 0.650 30.557 18.670 1.00 28.02 H new ATOM 0 HD12 ILE B 871 1.083 29.884 17.304 1.00 28.02 H new ATOM 0 HD13 ILE B 871 1.885 29.567 18.632 1.00 28.02 H new ATOM 2980 N PHE B 872 5.586 31.593 14.621 1.00 27.61 N ATOM 2981 CA PHE B 872 6.862 31.266 13.978 1.00 26.61 C ATOM 2982 C PHE B 872 7.354 32.377 13.041 1.00 33.88 C ATOM 2983 O PHE B 872 8.311 32.194 12.341 1.00 34.16 O ATOM 2984 CB PHE B 872 6.765 29.938 13.262 1.00 29.03 C ATOM 2985 CG PHE B 872 6.718 28.734 14.206 1.00 28.63 C ATOM 2986 CD1 PHE B 872 7.871 28.159 14.629 1.00 28.93 C ATOM 2987 CD2 PHE B 872 5.501 28.217 14.684 1.00 31.11 C ATOM 2988 CE1 PHE B 872 7.849 27.061 15.502 1.00 25.30 C ATOM 2989 CE2 PHE B 872 5.461 27.093 15.502 1.00 31.12 C ATOM 2990 CZ PHE B 872 6.670 26.520 15.901 1.00 26.90 C ATOM 0 H PHE B 872 4.896 31.445 14.130 1.00 27.61 H new ATOM 0 HA PHE B 872 7.529 31.191 14.679 1.00 26.61 H new ATOM 0 HB2 PHE B 872 5.969 29.936 12.707 1.00 29.03 H new ATOM 0 HB3 PHE B 872 7.525 29.844 12.667 1.00 29.03 H new ATOM 0 HD1 PHE B 872 8.687 28.497 14.337 1.00 28.93 H new ATOM 0 HD2 PHE B 872 4.705 28.636 14.448 1.00 31.11 H new ATOM 0 HE1 PHE B 872 8.649 26.701 15.810 1.00 25.30 H new ATOM 0 HE2 PHE B 872 4.649 26.732 15.776 1.00 31.12 H new ATOM 0 HZ PHE B 872 6.667 25.764 16.443 1.00 26.90 H new ATOM 2991 N ALA B 873 6.724 33.559 13.091 1.00 29.99 N ATOM 2992 CA ALA B 873 7.079 34.696 12.178 1.00 34.70 C ATOM 2993 C ALA B 873 7.279 34.349 10.724 1.00 32.55 C ATOM 2994 O ALA B 873 8.353 34.587 10.166 1.00 36.89 O ATOM 2995 CB ALA B 873 8.296 35.421 12.745 1.00 37.76 C ATOM 0 H ALA B 873 6.087 33.736 13.641 1.00 29.99 H new ATOM 0 HA ALA B 873 6.299 35.272 12.160 1.00 34.70 H new ATOM 0 HB1 ALA B 873 8.534 36.159 12.162 1.00 37.76 H new ATOM 0 HB2 ALA B 873 8.087 35.762 13.629 1.00 37.76 H new ATOM 0 HB3 ALA B 873 9.042 34.804 12.806 1.00 37.76 H new ATOM 2996 N ILE B 874 6.285 33.742 10.087 1.00 33.94 N ATOM 2997 CA ILE B 874 6.439 33.203 8.742 1.00 39.78 C ATOM 2998 C ILE B 874 6.149 34.411 7.873 1.00 48.62 C ATOM 2999 O ILE B 874 5.213 35.120 8.204 1.00 41.61 O ATOM 3000 CB ILE B 874 5.406 32.116 8.429 1.00 40.15 C ATOM 3001 CG1 ILE B 874 5.592 30.891 9.365 1.00 46.76 C ATOM 3002 CG2 ILE B 874 5.436 31.738 6.946 1.00 40.33 C ATOM 3003 CD1 ILE B 874 6.637 29.917 8.932 1.00 52.27 C ATOM 0 H ILE B 874 5.501 33.631 10.423 1.00 33.94 H new ATOM 0 HA ILE B 874 7.309 32.794 8.612 1.00 39.78 H new ATOM 0 HB ILE B 874 4.521 32.471 8.605 1.00 40.15 H new ATOM 0 HG12 ILE B 874 5.816 31.211 10.253 1.00 46.76 H new ATOM 0 HG13 ILE B 874 4.745 30.425 9.437 1.00 46.76 H new ATOM 0 HG21 ILE B 874 4.775 31.050 6.774 1.00 40.33 H new ATOM 0 HG22 ILE B 874 5.236 32.520 6.408 1.00 40.33 H new ATOM 0 HG23 ILE B 874 6.317 31.404 6.715 1.00 40.33 H new ATOM 0 HD11 ILE B 874 6.685 29.189 9.571 1.00 52.27 H new ATOM 0 HD12 ILE B 874 6.409 29.565 8.057 1.00 52.27 H new ATOM 0 HD13 ILE B 874 7.497 30.364 8.886 1.00 52.27 H new ATOM 3004 N GLN B 875 6.942 34.663 6.821 1.00 59.35 N ATOM 3005 CA GLN B 875 6.626 35.707 5.790 1.00 69.25 C ATOM 3006 C GLN B 875 5.101 35.824 5.435 1.00 86.50 C ATOM 3007 O GLN B 875 4.408 34.803 5.283 1.00 91.22 O ATOM 3008 CB GLN B 875 7.452 35.446 4.516 1.00 70.65 C ATOM 3009 CG GLN B 875 7.283 34.043 3.892 1.00 73.30 C ATOM 3010 CD GLN B 875 7.420 34.033 2.361 1.00 78.09 C ATOM 3011 OE1 GLN B 875 8.319 34.671 1.799 1.00 81.90 O ATOM 3012 NE2 GLN B 875 6.526 33.320 1.686 1.00 67.46 N ATOM 0 H GLN B 875 7.678 34.243 6.674 1.00 59.35 H new ATOM 0 HA GLN B 875 6.868 36.559 6.185 1.00 69.25 H new ATOM 0 HB2 GLN B 875 7.211 36.110 3.851 1.00 70.65 H new ATOM 0 HB3 GLN B 875 8.390 35.580 4.724 1.00 70.65 H new ATOM 0 HG2 GLN B 875 7.945 33.445 4.273 1.00 73.30 H new ATOM 0 HG3 GLN B 875 6.412 33.692 4.134 1.00 73.30 H new ATOM 0 HE21 GLN B 875 5.914 32.888 2.108 1.00 67.46 H new ATOM 0 HE22 GLN B 875 6.559 33.290 0.827 1.00 67.46 H new ATOM 3013 N GLU B 876 4.584 37.056 5.321 1.00102.43 N ATOM 3014 CA GLU B 876 3.123 37.304 5.154 1.00106.67 C ATOM 3015 C GLU B 876 2.666 37.289 3.688 1.00109.61 C ATOM 3016 O GLU B 876 3.060 36.413 2.906 1.00111.83 O ATOM 3017 CB GLU B 876 2.717 38.637 5.801 1.00100.53 C ATOM 0 H GLU B 876 5.060 37.772 5.337 1.00102.43 H new ATOM 0 HA GLU B 876 2.678 36.568 5.603 1.00106.67 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.289 7.824 4.205 1.00 26.54 ZN2+ HETATM 3020 ZN ZN A 902 22.518 -6.442 2.844 1.00 34.05 ZN2+ HETATM 3021 ZN ZN A 903 34.410 -20.071 15.178 0.43 52.56 ZN2+ HETATM 3022 O1 MES A 904 18.925 32.253 23.772 0.59 32.21 O HETATM 3023 C2 MES A 904 18.613 31.777 25.065 0.59 33.60 C HETATM 3024 C3 MES A 904 18.830 30.283 25.150 0.59 33.00 C HETATM 3025 N4 MES A 904 17.994 29.614 24.152 0.59 30.85 N HETATM 3026 C5 MES A 904 18.205 30.049 22.772 0.59 28.95 C HETATM 3027 C6 MES A 904 18.555 31.541 22.585 0.59 32.05 C HETATM 3028 C7 MES A 904 17.836 28.111 24.219 0.59 28.84 C HETATM 3029 C8 MES A 904 18.148 27.416 25.528 0.59 25.53 C HETATM 3030 S MES A 904 17.295 25.932 25.696 0.59 24.46 S HETATM 3031 O1S MES A 904 17.953 25.155 26.764 0.59 25.82 O HETATM 3032 O2S MES A 904 17.267 25.268 24.419 0.59 24.95 O HETATM 3033 O3S MES A 904 15.920 26.295 26.214 0.59 24.50 O HETATM 0 H82 MES A 904 19.102 27.247 25.583 0.59 25.53 H new HETATM 0 H81 MES A 904 17.921 28.003 26.266 0.59 25.53 H new HETATM 0 H72 MES A 904 16.920 27.899 23.982 0.59 28.84 H new HETATM 0 H71 MES A 904 18.403 27.723 23.535 0.59 28.84 H new HETATM 0 H62 MES A 904 17.791 31.987 22.187 0.59 32.05 H new HETATM 0 H61 MES A 904 19.285 31.607 21.949 0.59 32.05 H new HETATM 0 H52 MES A 904 18.919 29.516 22.388 0.59 28.95 H new HETATM 0 H51 MES A 904 17.402 29.856 22.263 0.59 28.95 H new HETATM 0 H32 MES A 904 19.765 30.072 24.998 0.59 33.00 H new HETATM 0 H31 MES A 904 18.609 29.964 26.039 0.59 33.00 H new HETATM 0 H22 MES A 904 19.166 32.227 25.723 0.59 33.60 H new HETATM 0 H21 MES A 904 17.690 31.987 25.278 0.59 33.60 H new HETATM 3034 C1 EDO A 905 31.915 -0.471 31.943 1.00 62.29 C HETATM 3035 O1 EDO A 905 30.536 -0.055 31.854 1.00 64.15 O HETATM 3036 C2 EDO A 905 32.058 -1.896 32.435 1.00 57.87 C HETATM 3037 O2 EDO A 905 33.156 -2.590 31.798 1.00 49.42 O HETATM 0 HO2 EDO A 905 33.868 -2.431 32.215 1.00 49.42 H new HETATM 0 HO1 EDO A 905 30.134 -0.535 31.295 1.00 64.15 H new HETATM 0 H22 EDO A 905 32.194 -1.892 33.395 1.00 57.87 H new HETATM 0 H21 EDO A 905 31.233 -2.378 32.268 1.00 57.87 H new HETATM 0 H12 EDO A 905 32.332 -0.389 31.071 1.00 62.29 H new HETATM 0 H11 EDO A 905 32.392 0.125 32.542 1.00 62.29 H new HETATM 3038 ZN ZN B 901 -10.435 25.248 30.984 1.00 23.20 ZN2+ HETATM 3039 ZN ZN B 902 0.800 34.554 32.246 1.00 27.11 ZN2+ HETATM 3040 C1 EDO B 903 12.728 26.387 28.425 1.00 47.45 C HETATM 3041 O1 EDO B 903 11.486 26.224 29.138 1.00 44.02 O HETATM 3042 C2 EDO B 903 12.407 26.588 26.951 1.00 45.71 C HETATM 3043 O2 EDO B 903 11.717 27.841 26.797 1.00 42.58 O HETATM 0 HO2 EDO B 903 11.323 28.034 27.513 1.00 42.58 H new HETATM 0 HO1 EDO B 903 11.188 25.449 29.009 1.00 44.02 H new HETATM 0 H22 EDO B 903 13.223 26.586 26.426 1.00 45.71 H new HETATM 0 H21 EDO B 903 11.857 25.859 26.624 1.00 45.71 H new HETATM 0 H12 EDO B 903 13.219 27.148 28.771 1.00 47.45 H new HETATM 0 H11 EDO B 903 13.292 25.607 28.545 1.00 47.45 H new HETATM 3044 O HOH A1001 15.792 22.823 27.726 1.00137.42 O HETATM 3045 O HOH A1002 19.448 25.279 33.216 1.00 37.71 O HETATM 3046 O HOH A1003 44.761 1.340 23.359 1.00 41.41 O HETATM 3047 O HOH A1004 36.560 0.600 30.139 1.00 50.29 O HETATM 3048 O HOH A1005 19.054 5.152 29.089 1.00 41.42 O HETATM 3049 O HOH A1006 34.848 4.953 6.819 1.00 39.92 O HETATM 3050 O HOH A1007 19.353 -0.134 27.687 1.00 56.71 O HETATM 3051 O HOH A1008 29.941 -8.318 33.947 1.00 93.60 O HETATM 3052 O HOH A1009 16.907 -1.816 9.795 1.00 50.07 O HETATM 3053 O HOH A1010 33.268 23.742 30.506 1.00 68.48 O HETATM 3054 O HOH A1011 19.510 15.841 34.030 1.00 41.67 O HETATM 3055 O HOH A1012 25.985 18.721 35.948 1.00 54.15 O HETATM 3056 O HOH A1013 10.400 -0.069 -0.624 1.00 75.89 O HETATM 3057 O HOH A1014 13.930 4.856 26.773 1.00 48.84 O HETATM 3058 O HOH A1015 39.517 -10.003 24.513 1.00 43.69 O HETATM 3059 O HOH A1016 15.969 15.605 34.835 1.00 48.65 O HETATM 3060 O HOH A1017 30.925 21.148 13.442 1.00 32.24 O HETATM 3061 O HOH A1018 35.508 -1.761 31.732 1.00 37.75 O HETATM 3062 O HOH A1019 29.189 14.777 30.959 1.00 33.43 O HETATM 3063 O BHOH A1020 19.108 12.684 29.882 0.64 28.67 O HETATM 3064 O HOH A1021 15.370 2.995 16.912 1.00 28.89 O HETATM 3065 O HOH A1022 14.109 4.532 29.425 1.00 67.64 O HETATM 3066 O HOH A1023 35.030 17.918 21.869 1.00 36.29 O HETATM 3067 O HOH A1024 6.998 17.236 26.492 1.00 46.09 O HETATM 3068 O HOH A1025 17.821 -8.309 27.842 1.00 44.83 O HETATM 3069 O HOH A1026 22.998 -8.910 26.904 1.00 47.88 O HETATM 3070 O HOH A1027 24.560 17.802 25.029 1.00 23.38 O HETATM 3071 O HOH A1028 19.331 -11.348 2.545 1.00 63.47 O HETATM 3072 O HOH A1029 18.929 26.415 17.951 1.00 70.05 O HETATM 3073 O HOH A1030 46.002 -7.184 17.888 1.00 51.42 O HETATM 3074 O HOH A1031 25.517 22.144 14.583 1.00 32.31 O HETATM 3075 O HOH A1032 24.237 -13.431 22.207 1.00 27.56 O HETATM 3076 O HOH A1033 14.869 1.580 23.471 1.00 41.49 O HETATM 3077 O HOH A1034 34.808 -1.418 7.959 1.00 27.74 O HETATM 3078 O HOH A1035 17.370 -12.725 28.432 1.00 41.13 O HETATM 3079 O HOH A1036 30.377 -5.784 -0.685 1.00 68.83 O HETATM 3080 O HOH A1037 23.349 -14.155 33.838 1.00 30.19 O HETATM 3081 O HOH A1038 34.882 3.559 -2.878 1.00 67.55 O HETATM 3082 O HOH A1039 28.892 7.134 6.411 1.00 30.13 O HETATM 3083 O HOH A1040 14.543 10.780 8.339 1.00 41.10 O HETATM 3084 O HOH A1041 31.532 -9.910 21.271 1.00 29.57 O HETATM 3085 O HOH A1042 35.502 10.176 25.663 1.00 28.95 O HETATM 3086 O HOH A1043 14.640 4.250 23.579 1.00 31.97 O HETATM 3087 O HOH A1044 32.429 21.784 20.328 1.00 28.63 O HETATM 3088 O HOH A1045 19.786 24.245 24.009 1.00 40.41 O HETATM 3089 O HOH A1046 26.294 20.728 31.925 1.00 30.27 O HETATM 3090 O HOH A1047 48.057 -0.622 24.396 1.00 51.39 O HETATM 3091 O HOH A1048 34.155 -13.880 21.058 1.00 57.67 O HETATM 3092 O HOH A1049 28.821 29.568 29.942 1.00 46.29 O HETATM 3093 O HOH A1050 30.033 -17.336 27.341 1.00 54.58 O HETATM 3094 O HOH A1051 19.352 -5.725 12.481 1.00 58.96 O HETATM 3095 O HOH A1052 31.194 -11.689 19.494 1.00 43.39 O HETATM 3096 O HOH A1053 11.517 20.666 26.345 1.00 30.49 O HETATM 3097 O HOH A1054 20.645 -9.292 8.842 1.00 54.41 O HETATM 3098 O BHOH A1055 20.946 8.395 29.461 0.92 51.97 O HETATM 3099 O HOH A1056 37.506 11.236 22.651 1.00 45.38 O HETATM 3100 O HOH A1057 14.469 0.959 7.918 1.00 50.81 O HETATM 3101 O HOH A1058 40.119 -7.333 18.628 1.00 32.74 O HETATM 3102 O HOH A1059 34.574 -13.703 9.751 1.00 49.19 O HETATM 3103 O HOH A1060 20.121 19.034 19.913 1.00 32.13 O HETATM 3104 O HOH A1061 15.434 25.759 22.509 1.00 23.63 O HETATM 3105 O HOH A1062 30.933 6.782 -0.656 1.00 44.54 O HETATM 3106 O HOH A1063 26.574 -3.868 28.679 1.00 25.67 O HETATM 3107 O HOH A1064 37.655 8.422 25.968 1.00 37.56 O HETATM 3108 O HOH A1065 20.024 -7.033 26.231 1.00 36.80 O HETATM 3109 O HOH A1066 32.011 8.386 28.541 1.00 22.69 O HETATM 3110 O HOH A1067 30.435 -21.085 23.488 1.00 26.68 O HETATM 3111 O HOH A1068 12.979 6.277 14.330 1.00 33.87 O HETATM 3112 O HOH A1069 31.555 24.979 29.928 1.00 49.66 O HETATM 3113 O HOH A1070 16.915 27.603 32.717 1.00 58.34 O HETATM 3114 O HOH A1071 15.222 -4.334 -6.602 1.00 66.53 O HETATM 3115 O HOH A1072 27.519 -1.206 31.509 1.00 46.14 O HETATM 3116 O HOH A1073 22.372 17.667 15.985 1.00 31.15 O HETATM 3117 O HOH A1074 12.933 5.367 19.793 1.00 50.20 O HETATM 3118 O HOH A1075 28.118 17.137 23.879 1.00 19.57 O HETATM 3119 O HOH A1076 22.824 -8.254 10.520 1.00 41.38 O HETATM 3120 O HOH A1077 16.222 -0.287 2.776 1.00 35.65 O HETATM 3121 O HOH A1078 16.854 7.982 11.358 1.00 29.40 O HETATM 3122 O HOH A1079 32.785 6.187 5.253 1.00 37.50 O HETATM 3123 O HOH A1080 21.577 26.271 38.099 1.00 54.39 O HETATM 3124 O HOH A1081 15.680 12.476 12.259 1.00 36.67 O HETATM 3125 O HOH A1082 16.697 4.092 30.474 1.00 55.35 O HETATM 3126 O BHOH A1083 21.023 11.246 28.480 0.62 24.39 O HETATM 3127 O HOH A1084 22.987 8.739 -1.974 1.00 32.41 O HETATM 3128 O HOH A1085 30.008 -11.882 15.777 1.00 41.04 O HETATM 3129 O HOH A1086 35.815 11.685 18.726 1.00 36.25 O HETATM 3130 O HOH A1087 29.994 22.331 21.580 1.00 25.58 O HETATM 3131 O HOH A1088 9.162 9.641 22.505 1.00 34.22 O HETATM 3132 O HOH A1089 42.221 1.780 14.730 1.00 42.74 O HETATM 3133 O HOH A1090 23.637 -7.864 29.907 1.00 40.92 O HETATM 3134 O HOH A1091 24.320 17.420 19.168 1.00 20.56 O HETATM 3135 O HOH A1092 25.884 7.838 29.117 1.00 42.01 O HETATM 3136 O HOH A1093 25.665 15.685 23.762 1.00 17.42 O HETATM 3137 O HOH A1094 37.537 8.007 23.141 1.00 33.26 O HETATM 3138 O HOH A1095 31.886 -15.875 25.046 1.00 55.13 O HETATM 3139 O HOH A1096 17.643 -0.521 17.315 1.00 26.66 O HETATM 3140 O HOH A1097 29.623 -2.785 3.225 1.00 33.12 O HETATM 3141 O HOH A1098 24.130 -11.402 20.398 1.00 38.68 O HETATM 3142 O HOH A1099 31.758 -10.166 6.942 1.00 46.24 O HETATM 3143 O HOH A1100 28.612 11.172 -4.702 1.00 56.48 O HETATM 3144 O HOH A1101 34.143 4.179 9.229 1.00 24.47 O HETATM 3145 O HOH A1102 20.388 34.584 24.115 1.00 71.05 O HETATM 3146 O HOH A1103 18.921 11.301 -2.415 1.00 36.75 O HETATM 3147 O HOH A1104 21.445 -5.011 16.744 1.00 28.91 O HETATM 3148 O HOH A1105 22.262 17.928 23.739 1.00 26.75 O HETATM 3149 O HOH A1106 9.360 7.797 3.272 1.00 57.15 O HETATM 3150 O HOH A1107 23.524 -10.140 24.104 1.00 65.47 O HETATM 3151 O HOH A1108 27.878 -11.314 1.422 1.00 54.10 O HETATM 3152 O HOH A1109 36.815 13.242 14.685 1.00 45.73 O HETATM 3153 O HOH A1110 10.654 6.157 25.529 1.00 50.54 O HETATM 3154 O HOH A1111 36.526 -3.250 9.161 1.00 27.49 O HETATM 3155 O HOH A1112 35.675 -20.220 19.559 1.00 55.36 O HETATM 3156 O HOH A1113 24.552 -2.025 28.197 1.00 27.11 O HETATM 3157 O HOH A1114 12.338 7.803 17.035 1.00 47.33 O HETATM 3158 O HOH A1115 19.482 -7.970 -3.222 1.00 62.68 O HETATM 3159 O HOH A1116 44.145 3.335 15.389 1.00 49.90 O HETATM 3160 O HOH A1117 24.475 7.270 9.036 1.00 26.34 O HETATM 3161 O HOH A1118 14.265 0.022 27.966 1.00 59.49 O HETATM 3162 O HOH A1119 20.050 11.505 12.292 1.00 29.46 O HETATM 3163 O HOH A1120 24.884 27.589 29.052 1.00 25.11 O HETATM 3164 O HOH A1121 40.323 -0.139 10.211 1.00 31.64 O HETATM 3165 O HOH A1122 31.745 -4.239 33.575 1.00 48.67 O HETATM 3166 O HOH A1123 37.437 -2.857 30.420 1.00 38.77 O HETATM 3167 O HOH A1124 27.046 -8.973 15.937 1.00 39.73 O HETATM 3168 O HOH A1125 34.129 -12.051 27.601 1.00 29.76 O HETATM 3169 O HOH A1126 32.028 16.596 29.097 1.00 24.41 O HETATM 3170 O HOH A1127 20.731 -0.529 29.592 1.00 45.23 O HETATM 3171 O HOH A1128 23.033 -13.122 18.176 1.00 58.32 O HETATM 3172 O HOH A1129 28.650 -0.028 -4.879 1.00 50.81 O HETATM 3173 O HOH A1130 33.394 -12.285 7.345 1.00 60.73 O HETATM 3174 O HOH A1131 39.906 -7.839 25.650 1.00 36.24 O HETATM 3175 O HOH A1132 21.985 -4.182 -6.040 1.00 56.82 O HETATM 3176 O HOH A1133 39.289 -8.636 12.814 1.00 35.11 O HETATM 3177 O HOH A1134 42.409 -7.164 21.415 1.00 35.61 O HETATM 3178 O HOH A1135 21.948 26.002 24.200 1.00 31.08 O HETATM 3179 O HOH A1136 17.665 1.696 15.843 1.00 22.45 O HETATM 3180 O HOH A1137 24.229 -8.510 15.562 1.00 47.19 O HETATM 3181 O HOH A1138 20.769 3.009 28.774 1.00 46.37 O HETATM 3182 O HOH A1139 40.619 0.052 12.912 1.00 28.05 O HETATM 3183 O HOH A1140 28.526 17.670 11.607 1.00 29.46 O HETATM 3184 O HOH A1141 15.604 3.477 10.293 1.00 30.65 O HETATM 3185 O HOH A1142 27.411 -15.081 4.200 1.00 58.57 O HETATM 3186 O HOH A1143 25.009 9.297 -3.685 1.00 47.85 O HETATM 3187 O HOH A1144 20.212 -6.096 -5.460 1.00 56.94 O HETATM 3188 O HOH A1145 25.442 15.684 20.979 1.00 18.84 O HETATM 3189 O HOH A1146 19.978 -6.416 23.490 1.00 28.13 O HETATM 3190 O HOH A1147 17.972 30.261 28.848 1.00 38.01 O HETATM 3191 O HOH A1148 30.560 21.909 32.820 1.00 43.79 O HETATM 3192 O HOH A1149 26.848 -21.124 10.772 1.00 52.30 O HETATM 3193 O HOH A1150 33.723 -14.875 12.157 1.00 50.41 O HETATM 3194 O HOH A1151 19.072 27.090 20.733 1.00 54.35 O HETATM 3195 O HOH A1152 25.489 23.082 34.431 1.00 40.92 O HETATM 3196 O HOH A1153 29.005 -10.587 3.794 1.00 47.55 O HETATM 3197 O HOH A1154 32.447 6.063 10.143 1.00 22.11 O HETATM 3198 O HOH A1155 39.893 12.095 6.563 1.00 74.71 O HETATM 3199 O HOH A1156 27.937 27.166 28.341 1.00 35.31 O HETATM 3200 O HOH A1157 24.258 9.186 30.429 1.00 43.23 O HETATM 3201 O HOH A1158 26.100 11.454 9.018 1.00 44.76 O HETATM 3202 O HOH A1159 29.028 -7.578 31.339 1.00 27.22 O HETATM 3203 O HOH A1160 38.917 -9.610 15.498 1.00 46.86 O HETATM 3204 O HOH A1161 24.007 10.349 1.278 1.00 33.62 O HETATM 3205 O HOH A1162 17.342 -1.743 27.776 1.00 52.31 O HETATM 3206 O HOH A1163 26.984 18.827 30.253 1.00 23.92 O HETATM 3207 O HOH A1164 21.008 19.906 22.178 1.00 33.84 O HETATM 3208 O HOH A1165 26.964 -9.295 31.619 1.00 38.44 O HETATM 3209 O HOH A1166 12.709 -2.511 27.408 1.00 48.84 O HETATM 3210 O HOH A1167 19.788 30.961 27.812 1.00101.81 O HETATM 3211 O HOH A1168 31.058 12.877 9.686 1.00 43.21 O HETATM 3212 O HOH A1169 34.787 21.858 16.764 1.00 47.05 O HETATM 3213 O HOH A1170 36.806 -12.645 22.912 1.00 53.47 O HETATM 3214 O HOH A1171 38.898 3.391 14.800 1.00 25.95 O HETATM 3215 O HOH A1172 37.740 12.371 28.005 1.00 78.24 O HETATM 3216 O HOH A1173 33.630 -8.480 34.344 1.00 71.16 O HETATM 3217 O HOH A1174 44.204 5.400 21.241 1.00 40.04 O HETATM 3218 O HOH A1175 15.767 28.273 28.389 1.00 33.66 O HETATM 3219 O HOH A1176 13.434 5.810 11.999 1.00 51.96 O HETATM 3220 O HOH A1177 21.198 -8.379 30.025 1.00 50.28 O HETATM 3221 O HOH A1178 32.100 -6.602 32.717 1.00 33.98 O HETATM 3222 O HOH A1179 21.623 -13.764 14.746 1.00 57.38 O HETATM 3223 O HOH A1180 25.250 -12.516 5.213 1.00 46.32 O HETATM 3224 O HOH A1181 33.253 15.379 12.151 1.00 49.98 O HETATM 3225 O HOH A1182 15.226 -4.758 27.663 1.00 48.06 O HETATM 3226 O HOH A1183 28.416 19.964 13.043 1.00 26.14 O HETATM 3227 O HOH A1184 39.976 5.015 25.939 1.00 48.49 O HETATM 3228 O HOH A1185 25.444 -18.261 13.371 1.00 62.88 O HETATM 3229 O HOH A1186 32.255 3.266 28.886 1.00 28.81 O HETATM 3230 O HOH A1187 45.136 -6.273 24.050 1.00 54.74 O HETATM 3231 O HOH A1188 25.778 2.730 30.338 1.00 47.97 O HETATM 3232 O HOH A1189 25.364 29.590 33.505 1.00 44.95 O HETATM 3233 O HOH A1190 19.984 9.361 10.300 1.00 27.74 O HETATM 3234 O HOH A1191 31.543 18.128 31.440 1.00 31.32 O HETATM 3235 O HOH A1192 39.739 4.846 29.749 1.00 49.75 O HETATM 3236 O HOH A1193 30.454 23.461 26.096 1.00 32.77 O HETATM 3237 O HOH A1194 32.664 -16.811 22.758 1.00 60.08 O HETATM 3238 O HOH A1195 21.206 17.238 13.000 1.00 48.55 O HETATM 3239 O HOH A1196 22.018 6.014 32.582 1.00 60.69 O HETATM 3240 O HOH A1197 35.356 0.993 -4.339 1.00 64.80 O HETATM 3241 O HOH A1198 28.291 17.600 34.757 1.00 52.41 O HETATM 3242 O HOH A1199 23.642 18.624 36.112 1.00 52.46 O HETATM 3243 O HOH A1200 24.038 15.690 10.315 1.00 41.49 O HETATM 3244 O HOH A1201 16.373 22.492 35.282 1.00 56.70 O HETATM 3245 O HOH A1202 31.270 17.075 12.625 1.00 28.25 O HETATM 3246 O HOH A1203 40.753 4.182 21.626 1.00 28.62 O HETATM 3247 O HOH A1204 22.614 0.383 -6.494 1.00 52.52 O HETATM 3248 O HOH A1205 28.722 -10.306 14.005 1.00 42.44 O HETATM 3249 O HOH A1206 37.774 -8.384 31.778 1.00 49.42 O HETATM 3250 O HOH A1207 27.561 -11.136 33.401 1.00 55.19 O HETATM 3251 O HOH A1208 36.817 8.373 28.961 1.00 68.68 O HETATM 3252 O HOH A1209 30.672 -14.018 29.984 1.00 40.43 O HETATM 3253 O HOH A1210 21.590 -9.248 24.131 1.00 71.60 O HETATM 3254 O HOH A1211 43.007 1.619 27.719 1.00 55.21 O HETATM 3255 O HOH A1212 22.294 20.130 16.653 1.00 47.18 O HETATM 3256 O HOH A1213 22.704 22.553 20.648 1.00 36.42 O HETATM 3257 O HOH A1214 35.826 19.150 18.274 1.00 73.37 O HETATM 3258 O HOH A1215 20.821 28.300 23.090 1.00 35.68 O HETATM 3259 O HOH A1216 26.602 5.412 30.746 1.00 43.78 O HETATM 3260 O HOH A1217 20.109 -8.748 22.209 1.00 40.42 O HETATM 3261 O HOH A1218 30.810 -3.289 -12.754 1.00 53.75 O HETATM 3262 O HOH A1219 10.522 21.218 30.609 1.00 42.92 O HETATM 3263 O HOH A1220 33.823 4.933 2.762 1.00 50.31 O HETATM 3264 O HOH A1221 18.102 -1.108 11.625 1.00 41.13 O HETATM 3265 O HOH A1222 29.334 -0.592 -8.197 1.00 74.54 O HETATM 3266 O HOH A1223 18.049 24.849 35.578 1.00 58.62 O HETATM 3267 O HOH A1224 23.310 -10.216 12.284 1.00 55.18 O HETATM 3268 O HOH A1225 17.722 -3.021 -7.377 1.00 56.57 O HETATM 3269 O HOH A1226 35.469 17.883 15.133 1.00 63.61 O HETATM 3270 O HOH A1227 34.771 2.462 29.909 1.00 43.63 O HETATM 3271 O HOH A1228 5.796 19.281 30.439 1.00 48.69 O HETATM 3272 O HOH A1229 15.366 27.469 30.701 1.00 45.44 O HETATM 3273 O HOH A1230 17.791 28.426 27.847 1.00 90.73 O HETATM 3274 O HOH A1231 23.244 -11.799 3.248 1.00 58.98 O HETATM 3275 O HOH A1232 21.372 -9.514 6.153 1.00 45.14 O HETATM 3276 O HOH A1233 21.737 -13.128 36.213 1.00 57.29 O HETATM 3277 O HOH A1234 30.108 9.925 34.370 1.00 53.17 O HETATM 3278 O HOH A1235 33.413 1.653 31.332 1.00 62.08 O HETATM 3279 O HOH A1236 40.718 3.221 23.777 1.00 44.31 O HETATM 3280 O HOH A1237 25.481 -0.718 -4.910 1.00 60.09 O HETATM 3281 O HOH A1238 14.695 2.023 12.623 1.00 43.02 O HETATM 3282 O HOH A1239 34.297 23.229 25.997 1.00 49.06 O HETATM 3283 O HOH A1240 31.290 11.204 31.854 1.00 39.24 O HETATM 3284 O HOH A1241 18.200 13.928 34.555 1.00 46.48 O HETATM 3285 O HOH A1242 28.752 13.570 8.912 1.00 58.72 O HETATM 3286 O HOH A1243 31.529 13.951 31.859 1.00 35.95 O HETATM 3287 O HOH A1244 34.489 5.929 31.322 1.00 45.26 O HETATM 3288 O HOH A1245 20.932 31.113 19.626 1.00 50.96 O HETATM 3289 O HOH A1246 33.376 9.243 4.470 1.00 53.90 O HETATM 3290 O HOH A1247 13.632 3.384 14.567 1.00 37.85 O HETATM 3291 O HOH A1248 17.878 -10.737 -0.701 1.00 57.97 O HETATM 3292 O HOH A1249 33.841 -12.551 18.790 1.00 57.87 O HETATM 3293 O HOH A1250 22.734 10.809 3.678 1.00 39.36 O HETATM 3294 O HOH A1251 33.795 -14.532 26.636 1.00 46.81 O HETATM 3295 O HOH A1252 24.413 -12.405 -4.438 1.00 70.56 O HETATM 3296 O HOH A1253 27.483 -5.307 31.428 1.00 44.51 O HETATM 3297 O HOH A1254 30.012 9.665 29.976 1.00 27.11 O HETATM 3298 O HOH A1255 24.267 -0.626 30.588 1.00 55.58 O HETATM 3299 O HOH A1256 36.888 15.638 21.412 1.00 58.73 O HETATM 3300 O HOH A1257 34.842 20.331 14.974 1.00 47.35 O HETATM 3301 O HOH A1258 34.334 9.857 28.369 1.00 34.52 O HETATM 3302 O HOH A1259 31.870 -4.622 0.966 1.00 66.18 O HETATM 3303 O HOH A1260 22.606 -8.601 13.435 1.00 55.20 O HETATM 3304 O HOH A1261 40.116 10.235 26.121 1.00 48.06 O HETATM 3305 O HOH A1262 37.400 -0.890 -12.173 1.00 40.18 O HETATM 3306 O HOH A1263 24.223 5.579 32.141 1.00 62.65 O HETATM 3307 O HOH A1264 31.430 6.862 7.562 1.00 28.65 O HETATM 3308 O HOH A1265 28.841 17.669 31.779 1.00 32.20 O HETATM 3309 O HOH A1266 32.919 9.532 7.243 1.00 40.51 O HETATM 3310 O HOH A1267 22.655 22.870 17.882 1.00 66.48 O HETATM 3311 O HOH A1268 44.767 5.503 23.427 1.00 57.13 O HETATM 3312 O HOH A1269 28.057 8.001 31.056 1.00 38.98 O HETATM 3313 O HOH A1270 22.983 2.609 30.700 1.00 57.88 O HETATM 3314 O HOH A1271 37.640 13.334 20.311 1.00 49.59 O HETATM 3315 O HOH A1272 23.719 12.030 5.460 1.00 50.47 O HETATM 3316 O HOH A1273 21.999 30.415 21.874 1.00 41.36 O HETATM 3317 O HOH A1274 30.656 25.872 26.975 1.00 39.25 O HETATM 3318 O HOH A1275 18.592 -6.701 30.105 1.00 59.78 O HETATM 3319 O HOH A1276 43.618 -8.431 19.309 1.00 52.48 O HETATM 3320 O HOH A1277 32.173 -18.155 25.840 1.00 64.25 O HETATM 3321 O HOH A1278 18.437 11.667 4.555 1.00 60.04 O HETATM 3322 O HOH A1279 13.016 5.964 21.933 1.00 51.05 O HETATM 3323 O HOH A1280 35.597 22.037 23.645 1.00 56.68 O HETATM 3324 O HOH A1281 33.141 -14.866 29.716 1.00 58.72 O HETATM 3325 O HOH A1282 24.709 20.691 10.415 1.00 58.12 O HETATM 3326 O HOH A1283 31.027 14.766 34.524 1.00 61.62 O HETATM 3327 O HOH A1284 10.202 13.346 31.070 1.00 53.66 O HETATM 3328 O HOH A1285 14.452 35.501 30.903 1.00 63.95 O HETATM 3329 O HOH A1286 34.518 20.197 20.618 1.00 35.30 O HETATM 3330 O HOH A1287 32.921 -19.862 23.369 1.00 41.51 O HETATM 3331 O HOH A1288 21.153 -13.321 4.288 1.00 85.44 O HETATM 3332 O HOH A1289 35.403 15.733 13.433 1.00 50.85 O HETATM 3333 O HOH A1290 12.953 8.673 31.118 1.00 54.08 O HETATM 3334 O HOH A1291 15.169 0.212 30.712 1.00 68.44 O HETATM 3335 O HOH A1292 16.251 10.265 10.587 1.00 40.32 O HETATM 3336 O HOH A1293 13.863 0.999 17.848 1.00 53.68 O HETATM 3337 O HOH A1294 33.918 14.922 30.052 1.00 28.34 O HETATM 3338 O HOH A1295 34.089 23.676 21.533 1.00 50.25 O HETATM 3339 O HOH A1296 23.309 11.132 8.507 1.00 42.32 O HETATM 3340 O HOH A1297 40.942 -7.970 28.265 1.00 57.50 O HETATM 3341 O HOH A1298 37.072 18.818 23.430 1.00 51.02 O HETATM 3342 O HOH A1299 22.325 12.988 10.596 1.00 43.02 O HETATM 3343 O HOH A1300 22.092 8.957 8.561 1.00 31.23 O HETATM 3344 O HOH A1301 20.797 -2.529 -7.541 1.00 55.17 O HETATM 3345 O HOH A1302 24.528 11.095 -5.680 1.00 57.58 O HETATM 3346 O HOH A1303 40.237 6.766 22.341 1.00 41.53 O HETATM 3347 O HOH A1304 16.500 0.346 13.604 1.00 33.93 O HETATM 3348 O HOH A1305 31.891 5.870 29.968 1.00 27.76 O HETATM 3349 O HOH A1306 35.937 -12.246 29.897 1.00 48.09 O HETATM 3350 O HOH A1307 25.220 -5.518 30.457 1.00 39.01 O HETATM 3351 O HOH A1308 34.894 12.340 29.350 1.00 41.97 O HETATM 3352 O HOH A1309 33.038 17.669 33.636 1.00 51.84 O HETATM 3353 O HOH A1310 29.944 5.621 31.460 1.00 41.89 O HETATM 3354 O HOH A1311 19.554 -15.291 2.920 1.00 65.85 O HETATM 3355 O HOH A1312 9.634 11.585 33.983 1.00 73.66 O HETATM 3356 O HOH A1313 14.659 7.133 32.895 1.00 58.48 O HETATM 3357 O HOH B1001 11.647 29.918 26.894 1.00132.20 O HETATM 3358 O HOH B1002 -13.058 14.007 10.665 1.00 31.68 O HETATM 3359 O HOH B1003 -15.869 5.765 13.161 1.00 59.23 O HETATM 3360 O HOH B1004 19.209 20.101 17.092 1.00 47.81 O HETATM 3361 O HOH B1005 -6.458 34.479 25.180 1.00 48.12 O HETATM 3362 O HOH B1006 -2.996 17.653 30.310 1.00 51.27 O HETATM 3363 O HOH B1007 -14.342 15.637 23.350 1.00 63.97 O HETATM 3364 O HOH B1008 -13.601 30.627 38.611 1.00 48.17 O HETATM 3365 O HOH B1009 -6.126 18.330 2.564 1.00 63.42 O HETATM 3366 O HOH B1010 16.449 26.367 10.489 1.00 49.71 O HETATM 3367 O HOH B1011 -4.174 7.279 13.799 1.00 54.13 O HETATM 3368 O HOH B1012 -13.100 28.942 39.893 1.00 51.82 O HETATM 3369 O HOH B1013 -6.405 27.927 6.279 1.00 52.11 O HETATM 3370 O HOH B1014 -8.978 6.016 15.319 1.00 63.75 O HETATM 3371 O HOH B1015 3.436 13.122 9.435 1.00 44.59 O HETATM 3372 O HOH B1016 -13.646 21.326 5.244 1.00 55.52 O HETATM 3373 O HOH B1017 3.766 17.936 28.483 1.00 35.42 O HETATM 3374 O HOH B1018 -10.234 11.133 0.940 1.00 61.05 O HETATM 3375 O HOH B1019 -9.795 32.888 11.628 1.00 53.45 O HETATM 3376 O HOH B1020 -10.357 31.550 18.313 1.00 32.39 O HETATM 3377 O HOH B1021 -8.492 40.484 38.758 1.00 64.42 O HETATM 3378 O HOH B1022 1.794 9.166 21.930 1.00 50.81 O HETATM 3379 O HOH B1023 1.786 26.638 3.425 1.00 50.38 O HETATM 3380 O HOH B1024 14.426 37.251 20.940 1.00 55.87 O HETATM 3381 O HOH B1025 3.513 18.914 26.041 1.00 26.56 O HETATM 3382 O HOH B1026 13.934 29.713 26.838 1.00 32.71 O HETATM 3383 O HOH B1027 -0.164 18.875 35.961 1.00 37.56 O HETATM 3384 O HOH B1028 -19.458 30.176 12.668 1.00 43.96 O HETATM 3385 O HOH B1029 10.338 38.219 30.967 1.00 49.14 O HETATM 3386 O HOH B1030 11.234 23.698 28.444 1.00 34.32 O HETATM 3387 O HOH B1031 -10.073 7.798 21.701 1.00 48.97 O HETATM 3388 O HOH B1032 0.809 11.517 27.608 1.00 37.40 O HETATM 3389 O HOH B1033 7.461 22.701 27.233 1.00 23.91 O HETATM 3390 O HOH B1034 -14.796 10.117 20.672 1.00 41.87 O HETATM 3391 O HOH B1035 -15.624 29.788 17.998 1.00 45.05 O HETATM 3392 O HOH B1036 -15.964 25.646 26.768 1.00 41.34 O HETATM 3393 O HOH B1037 -12.093 22.171 22.840 1.00 32.58 O HETATM 3394 O HOH B1038 -11.757 30.953 11.437 1.00 37.83 O HETATM 3395 O HOH B1039 0.606 12.972 9.731 1.00 32.83 O HETATM 3396 O HOH B1040 6.137 24.041 3.658 1.00 52.89 O HETATM 3397 O HOH B1041 -13.879 31.182 15.433 1.00 45.38 O HETATM 3398 O HOH B1042 10.192 21.853 4.711 1.00 46.80 O HETATM 3399 O HOH B1043 15.464 29.819 19.754 1.00 60.92 O HETATM 3400 O HOH B1044 8.114 19.748 5.166 1.00 60.78 O HETATM 3401 O HOH B1045 13.233 31.202 7.209 1.00 52.32 O HETATM 3402 O HOH B1046 -0.155 11.825 16.753 1.00 42.12 O HETATM 3403 O HOH B1047 13.374 38.381 27.341 1.00 40.18 O HETATM 3404 O HOH B1048 3.704 20.125 32.825 1.00 43.19 O HETATM 3405 O HOH B1049 -7.972 22.401 37.159 1.00 30.06 O HETATM 3406 O HOH B1050 1.467 40.891 32.473 1.00 55.58 O HETATM 3407 O HOH B1051 -1.871 11.724 27.241 1.00 63.40 O HETATM 3408 O HOH B1052 -14.704 15.994 12.180 1.00 33.92 O HETATM 3409 O HOH B1053 -8.861 42.469 40.806 0.50 98.57 O HETATM 3410 O HOH B1054 10.522 11.687 13.850 1.00 49.33 O HETATM 3411 O HOH B1055 -17.022 16.069 15.656 1.00 38.99 O HETATM 3412 O HOH B1056 8.218 39.606 29.514 1.00 70.16 O HETATM 3413 O HOH B1057 10.368 31.779 28.464 1.00 30.76 O HETATM 3414 O HOH B1058 2.201 11.332 13.948 1.00 42.83 O HETATM 3415 O HOH B1059 -1.634 34.740 21.236 1.00 50.50 O HETATM 3416 O HOH B1060 -5.596 20.324 5.866 1.00 39.94 O HETATM 3417 O HOH B1061 -21.603 13.413 11.844 1.00 46.96 O HETATM 3418 O HOH B1062 -0.341 35.938 8.303 1.00 64.87 O HETATM 3419 O HOH B1063 -12.892 14.741 16.110 1.00 25.46 O HETATM 3420 O HOH B1064 17.640 39.984 26.396 1.00 34.05 O HETATM 3421 O HOH B1065 14.860 33.897 27.114 1.00 41.31 O HETATM 3422 O HOH B1066 -12.474 26.949 23.838 1.00 36.84 O HETATM 3423 O HOH B1067 -15.822 32.078 9.367 1.00 58.67 O HETATM 3424 O HOH B1068 15.342 24.713 9.478 1.00 35.80 O HETATM 3425 O HOH B1069 -8.036 33.723 32.076 1.00 29.27 O HETATM 3426 O HOH B1070 -0.889 16.523 6.797 1.00 27.87 O HETATM 3427 O HOH B1071 15.219 24.083 16.459 1.00 42.33 O HETATM 3428 O HOH B1072 3.134 24.700 32.843 1.00 30.58 O HETATM 3429 O HOH B1073 -5.664 35.158 19.231 1.00 48.85 O HETATM 3430 O HOH B1074 -21.837 14.647 3.314 1.00 66.78 O HETATM 3431 O HOH B1075 -0.422 34.020 18.060 1.00 42.43 O HETATM 3432 O HOH B1076 12.970 30.081 19.306 1.00 52.70 O HETATM 3433 O HOH B1077 -1.253 37.525 38.770 1.00 63.89 O HETATM 3434 O HOH B1078 -19.659 21.772 1.575 1.00 81.93 O HETATM 3435 O HOH B1079 -2.509 19.838 28.713 1.00 24.68 O HETATM 3436 O HOH B1080 11.527 13.124 19.637 1.00 38.00 O HETATM 3437 O HOH B1081 -7.844 31.076 19.323 1.00 25.44 O HETATM 3438 O HOH B1082 -0.224 9.993 20.744 1.00 40.53 O HETATM 3439 O HOH B1083 10.983 18.004 22.260 1.00 25.15 O HETATM 3440 O HOH B1084 3.607 13.540 12.057 1.00 38.29 O HETATM 3441 O HOH B1085 -11.494 33.631 29.362 1.00 54.09 O HETATM 3442 O HOH B1086 -10.745 14.898 11.571 1.00 27.49 O HETATM 3443 O HOH B1087 -7.916 36.834 30.607 1.00 51.64 O HETATM 3444 O HOH B1088 8.504 33.997 31.257 1.00 55.92 O HETATM 3445 O HOH B1089 -23.292 15.090 6.971 1.00 49.22 O HETATM 3446 O HOH B1090 0.033 29.157 6.802 1.00 33.96 O HETATM 3447 O HOH B1091 -7.008 20.160 38.761 1.00 37.09 O HETATM 3448 O HOH B1092 2.639 29.312 6.461 1.00 33.00 O HETATM 3449 O HOH B1093 -26.963 17.892 6.920 1.00 38.06 O HETATM 3450 O HOH B1094 -18.833 30.147 20.423 1.00 70.93 O HETATM 3451 O HOH B1095 -10.762 31.149 24.811 1.00 27.26 O HETATM 3452 O HOH B1096 2.583 37.778 41.245 1.00 59.54 O HETATM 3453 O HOH B1097 7.843 15.021 5.231 1.00 59.52 O HETATM 3454 O HOH B1098 -9.444 12.245 11.565 1.00 25.52 O HETATM 3455 O HOH B1099 -14.434 15.760 19.227 1.00 34.74 O HETATM 3456 O HOH B1100 11.015 18.271 25.182 1.00 27.80 O HETATM 3457 O HOH B1101 -13.717 30.286 23.354 1.00 54.15 O HETATM 3458 O HOH B1102 -8.722 4.122 10.330 1.00 71.08 O HETATM 3459 O HOH B1103 6.621 37.438 30.260 1.00 39.93 O HETATM 3460 O HOH B1104 -14.245 30.775 20.470 1.00 36.47 O HETATM 3461 O HOH B1105 5.171 37.180 13.952 1.00 51.39 O HETATM 3462 O HOH B1106 9.908 23.029 26.123 1.00 25.13 O HETATM 3463 O HOH B1107 -10.401 33.638 27.245 1.00 48.60 O HETATM 3464 O HOH B1108 -16.450 24.287 23.030 1.00 34.36 O HETATM 3465 O HOH B1109 7.141 14.675 9.400 1.00 47.18 O HETATM 3466 O HOH B1110 7.470 23.536 29.516 1.00 44.44 O HETATM 3467 O HOH B1111 14.009 25.930 3.335 1.00 61.95 O HETATM 3468 O HOH B1112 -24.687 20.245 8.943 1.00 31.04 O HETATM 3469 O HOH B1113 11.275 39.860 28.845 1.00 52.05 O HETATM 3470 O HOH B1114 8.357 28.037 2.451 1.00 42.78 O HETATM 3471 O HOH B1115 -11.275 13.979 -2.624 1.00 57.77 O HETATM 3472 O HOH B1116 -9.712 23.160 5.846 1.00 51.46 O HETATM 3473 O HOH B1117 4.485 39.361 38.915 1.00 65.40 O HETATM 3474 O HOH B1118 -6.445 32.787 17.690 1.00 28.62 O HETATM 3475 O HOH B1119 -14.893 4.453 9.497 1.00 65.82 O HETATM 3476 O HOH B1120 16.953 22.512 13.823 1.00 33.94 O HETATM 3477 O HOH B1121 12.230 43.409 23.394 1.00 54.78 O HETATM 3478 O HOH B1122 4.012 27.251 31.784 1.00 25.61 O HETATM 3479 O HOH B1123 -10.642 35.699 30.880 1.00 59.08 O HETATM 3480 O HOH B1124 0.935 18.428 25.147 1.00 21.78 O HETATM 3481 O HOH B1125 -4.880 14.323 25.377 1.00 32.12 O HETATM 3482 O HOH B1126 -17.125 14.970 13.400 1.00 34.75 O HETATM 3483 O HOH B1127 -6.086 22.313 26.122 1.00 27.58 O HETATM 3484 O HOH B1128 -6.333 9.975 6.379 1.00 38.37 O HETATM 3485 O HOH B1129 -10.220 1.824 9.434 1.00 67.74 O HETATM 3486 O HOH B1130 -20.413 9.471 11.855 1.00 52.07 O HETATM 3487 O HOH B1131 -11.012 23.888 24.823 1.00 31.30 O HETATM 3488 O HOH B1132 -10.678 15.128 14.320 1.00 25.58 O HETATM 3489 O HOH B1133 -4.324 10.502 23.234 1.00 37.86 O HETATM 3490 O HOH B1134 2.469 20.241 6.340 1.00 35.05 O HETATM 3491 O HOH B1135 11.192 15.574 20.628 1.00 38.33 O HETATM 3492 O HOH B1136 8.219 9.293 17.574 1.00 50.97 O HETATM 3493 O HOH B1137 -2.186 24.869 4.824 1.00 48.16 O HETATM 3494 O HOH B1138 10.102 29.089 29.045 1.00 31.05 O HETATM 3495 O HOH B1139 1.401 19.182 38.590 1.00 61.57 O HETATM 3496 O HOH B1140 10.762 15.634 5.360 1.00 65.61 O HETATM 3497 O HOH B1141 17.989 41.934 16.276 1.00 48.49 O HETATM 3498 O HOH B1142 6.366 30.601 3.681 1.00 49.44 O HETATM 3499 O HOH B1143 1.506 18.223 29.763 1.00 31.95 O HETATM 3500 O HOH B1144 -25.939 26.181 8.683 1.00 43.65 O HETATM 3501 O HOH B1145 -11.070 10.279 22.101 1.00 27.36 O HETATM 3502 O HOH B1146 -11.521 21.123 6.526 1.00 42.53 O HETATM 3503 O HOH B1147 2.112 35.877 24.503 1.00 41.96 O HETATM 3504 O HOH B1148 6.852 32.924 37.498 1.00 49.67 O HETATM 3505 O HOH B1149 -7.565 18.229 26.206 1.00 42.43 O HETATM 3506 O HOH B1150 -25.134 16.211 3.419 1.00 63.55 O HETATM 3507 O HOH B1151 -0.722 35.618 11.163 1.00 43.83 O HETATM 3508 O HOH B1152 17.553 36.080 21.136 1.00 46.18 O HETATM 3509 O HOH B1153 9.143 28.688 41.287 1.00 69.02 O HETATM 3510 O HOH B1154 8.514 14.662 13.628 1.00 28.30 O HETATM 3511 O HOH B1155 6.456 28.358 34.676 1.00 37.54 O HETATM 3512 O HOH B1156 -9.553 11.937 23.493 1.00 32.07 O HETATM 3513 O HOH B1157 -8.068 20.307 33.953 1.00 28.39 O HETATM 3514 O HOH B1158 7.582 16.476 20.396 1.00 24.62 O HETATM 3515 O HOH B1159 -6.454 37.728 28.102 1.00 53.26 O HETATM 3516 O HOH B1160 -13.679 6.033 20.034 1.00 88.53 O HETATM 3517 O HOH B1161 -18.130 30.423 32.941 1.00 53.17 O HETATM 3518 O HOH B1162 -5.890 30.663 41.018 1.00 45.23 O HETATM 3519 O HOH B1163 -3.744 10.401 5.418 1.00 36.18 O HETATM 3520 O HOH B1164 -6.995 10.592 22.757 1.00 26.41 O HETATM 3521 O HOH B1165 -25.378 20.548 3.735 1.00 42.22 O HETATM 3522 O HOH B1166 -28.036 25.660 5.228 1.00 54.35 O HETATM 3523 O HOH B1167 -16.825 24.280 35.338 1.00 66.94 O HETATM 3524 O HOH B1168 2.787 36.173 22.037 1.00 62.50 O HETATM 3525 O HOH B1169 -15.022 17.811 22.736 1.00 61.66 O HETATM 3526 O HOH B1170 7.804 22.049 3.105 1.00 52.40 O HETATM 3527 O HOH B1171 11.327 28.727 0.974 1.00 51.46 O HETATM 3528 O HOH B1172 -1.997 5.386 9.773 1.00 70.91 O HETATM 3529 O HOH B1173 -11.878 16.280 24.908 1.00 40.69 O HETATM 3530 O HOH B1174 0.523 36.656 41.845 1.00 51.92 O HETATM 3531 O HOH B1175 -4.540 30.689 6.064 1.00 45.86 O HETATM 3532 O HOH B1176 -3.490 21.877 4.575 1.00 51.03 O HETATM 3533 O HOH B1177 -12.274 34.201 25.450 1.00 70.33 O HETATM 3534 O HOH B1178 7.603 35.248 33.199 1.00 51.90 O HETATM 3535 O HOH B1179 0.930 40.014 30.191 1.00 79.04 O HETATM 3536 O HOH B1180 8.981 13.767 29.024 1.00 59.21 O HETATM 3537 O HOH B1181 19.452 18.230 10.708 1.00 65.45 O HETATM 3538 O HOH B1182 12.378 15.559 7.845 1.00 75.24 O HETATM 3539 O HOH B1183 -20.251 28.897 31.690 1.00 58.43 O HETATM 3540 O HOH B1184 -8.339 8.813 4.073 1.00 76.93 O HETATM 3541 O HOH B1185 -4.691 36.690 24.648 1.00 50.54 O HETATM 3542 O HOH B1186 4.594 38.550 31.886 1.00 63.34 O HETATM 3543 O HOH B1187 -18.714 28.191 34.267 1.00 51.79 O HETATM 3544 O HOH B1188 0.169 9.317 15.507 1.00 45.28 O HETATM 3545 O HOH B1189 2.577 16.722 4.163 1.00 58.24 O HETATM 3546 O HOH B1190 -11.217 7.262 14.070 1.00 42.72 O HETATM 3547 O HOH B1191 1.248 35.081 20.064 1.00 70.02 O HETATM 3548 O HOH B1192 -8.064 39.984 36.454 1.00 59.70 O HETATM 3549 O HOH B1193 -1.446 36.252 14.607 1.00 67.35 O HETATM 3550 O HOH B1194 -21.043 12.940 5.783 1.00 51.14 O HETATM 3551 O HOH B1195 9.126 15.440 11.619 1.00 51.36 O HETATM 3552 O HOH B1196 -17.358 12.714 15.191 1.00 55.47 O HETATM 3553 O HOH B1197 1.714 37.636 28.918 1.00 38.92 O HETATM 3554 O HOH B1198 10.702 28.860 31.304 1.00 64.33 O HETATM 3555 O HOH B1199 3.119 10.868 16.748 1.00 56.53 O HETATM 3556 O HOH B1200 -4.834 26.149 4.614 1.00 71.14 O HETATM 3557 O HOH B1201 -10.301 32.776 22.849 1.00 39.51 O HETATM 3558 O HOH B1202 -12.528 31.267 8.484 1.00 53.19 O HETATM 3559 O HOH B1203 -3.337 16.650 5.397 1.00 33.79 O HETATM 3560 O HOH B1204 -0.693 6.426 7.436 1.00 61.57 O HETATM 3561 O HOH B1205 -7.750 20.114 4.073 1.00 51.96 O HETATM 3562 O HOH B1206 0.801 31.777 46.511 1.00 60.17 O HETATM 3563 O HOH B1207 -9.476 20.711 31.481 1.00 34.66 O HETATM 3564 O HOH B1208 8.615 30.847 36.420 1.00 62.81 O HETATM 3565 O HOH B1209 1.019 37.712 26.338 1.00 60.53 O HETATM 3566 O HOH B1210 -19.904 12.527 -1.936 1.00 56.75 O HETATM 3567 O HOH B1211 -3.001 14.669 27.421 1.00 50.12 O HETATM 3568 O HOH B1212 -11.937 32.381 20.247 1.00 37.44 O HETATM 3569 O HOH B1213 -4.419 39.061 29.704 1.00 59.53 O HETATM 3570 O HOH B1214 -3.419 14.127 4.008 1.00 49.90 O HETATM 3571 O HOH B1215 -4.133 8.849 25.240 1.00 52.43 O HETATM 3572 O HOH B1216 8.536 30.166 33.251 1.00 61.23 O HETATM 3573 O HOH B1217 -4.716 6.124 18.167 1.00 64.64 O HETATM 3574 O HOH B1218 -14.312 30.611 13.184 1.00 46.00 O HETATM 3575 O HOH B1219 -15.921 13.792 18.728 1.00 46.07 O HETATM 3576 O HOH B1220 -17.498 29.090 25.865 1.00 61.48 O HETATM 3577 O HOH B1221 -1.809 40.491 29.878 1.00 62.99 O HETATM 3578 O HOH B1222 -5.509 14.413 31.469 1.00 73.86 O HETATM 3579 O HOH B1223 -4.746 16.357 29.260 1.00 52.91 O HETATM 3580 O HOH B1224 -0.889 15.837 27.797 1.00 39.81 O HETATM 3581 O HOH B1225 -1.885 39.818 40.914 1.00 63.59 O HETATM 3582 O HOH B1226 -10.105 20.927 35.828 1.00 35.55 O HETATM 3583 O HOH B1227 -0.360 18.427 27.623 1.00 26.07 O HETATM 3584 O HOH B1228 0.248 35.584 0.180 1.00 96.35 O HETATM 3585 O HOH B1229 -14.232 33.789 23.914 1.00 54.41 O HETATM 3586 O HOH B1230 -0.274 13.650 6.962 1.00 50.72 O HETATM 3587 O HOH B1231 15.022 36.369 28.330 1.00 39.81 O HETATM 3588 O HOH B1232 -3.640 19.005 4.234 1.00 46.29 O HETATM 3589 O HOH B1233 6.379 39.477 33.940 1.00 61.89 O HETATM 3590 O HOH B1234 -2.331 36.511 22.952 1.00 51.22 O HETATM 3591 O HOH B1235 -2.195 8.761 27.300 1.00 54.72 O HETATM 3592 O HOH B1236 -10.129 21.737 4.090 1.00 78.46 O HETATM 3593 O HOH B1237 13.059 32.046 28.104 1.00 31.75 O HETATM 3594 O HOH B1238 -5.821 33.061 23.496 1.00 41.99 O HETATM 3595 O HOH B1239 17.968 31.185 19.285 1.00 79.43 O HETATM 3596 O HOH B1240 -22.733 11.238 0.949 1.00 59.86 O HETATM 3597 O HOH B1241 6.147 13.027 12.840 1.00 55.34 O HETATM 3598 O HOH B1242 -16.966 31.332 16.191 1.00 64.08 O HETATM 3599 O HOH B1243 -13.609 9.637 22.963 1.00 57.42 O HETATM 3600 O HOH B1244 3.445 30.730 4.172 1.00 53.58 O HETATM 3601 O HOH B1245 -20.728 6.138 17.484 1.00 93.09 O HETATM 3602 O HOH B1246 -7.821 8.046 22.770 1.00 44.84 O HETATM 3603 O HOH B1247 -4.211 28.590 4.808 1.00 67.68 O HETATM 3604 O HOH B1248 16.511 26.812 20.276 1.00 43.83 O HETATM 3605 O HOH B1249 -9.481 20.222 26.667 1.00 42.93 O HETATM 3606 O HOH B1250 -8.988 22.776 26.630 1.00 28.23 O HETATM 3607 O HOH B1251 4.431 10.553 8.822 1.00 60.43 O HETATM 3608 O HOH B1252 -11.441 19.549 24.561 1.00 42.97 O HETATM 3609 O HOH B1253 -10.024 34.062 16.990 1.00 48.00 O HETATM 3610 O HOH B1254 -1.445 20.292 3.897 1.00 45.57 O HETATM 3611 O HOH B1255 -2.827 8.834 21.631 1.00 52.56 O HETATM 3612 O HOH B1256 14.576 45.265 21.348 1.00 51.68 O HETATM 3613 O HOH B1257 -7.865 32.894 21.515 1.00 34.11 O HETATM 3614 O HOH B1258 8.990 36.444 36.428 1.00 73.64 O HETATM 3615 O HOH B1259 7.623 35.189 38.802 1.00 65.32 O HETATM 3616 O HOH B1260 0.577 18.401 5.316 1.00 34.78 O HETATM 3617 O HOH B1261 -4.841 6.809 20.623 1.00 55.47 O HETATM 3618 O HOH B1262 -11.271 35.201 13.903 1.00 69.99 O HETATM 3619 O HOH B1263 -13.126 21.764 27.594 1.00 52.93 O HETATM 3620 O HOH B1264 19.748 12.758 7.204 1.00 55.57 O HETATM 3621 O HOH B1265 -12.518 35.409 20.058 1.00 69.03 O HETATM 3622 O HOH B1266 -8.022 7.572 25.631 1.00 70.56 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 437 3021 CONECT 438 3021 CONECT 454 3021 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3021 437 438 454 CONECT 3022 3023 3027 CONECT 3023 3022 3024 CONECT 3024 3023 3025 CONECT 3025 3024 3026 3028 CONECT 3026 3025 3027 CONECT 3027 3022 3026 CONECT 3028 3025 3029 CONECT 3029 3028 3030 CONECT 3030 3029 3031 3032 3033 CONECT 3031 3030 CONECT 3032 3030 CONECT 3033 3030 CONECT 3034 3035 3036 CONECT 3035 3034 CONECT 3036 3034 3037 CONECT 3037 3036 CONECT 3038 1578 1600 1743 1771 CONECT 3039 1680 1701 1881 1906 CONECT 3040 3041 3042 CONECT 3041 3040 CONECT 3042 3040 3043 CONECT 3043 3042 END