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 5PZA TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 106) 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 5PZA 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. 1.59 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) : 1.59 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 31.29 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.3 REMARK 3 NUMBER OF REFLECTIONS : 54751 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) : 0.175 REMARK 3 R VALUE (WORKING SET) : 0.173 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2880 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) : 1.59 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.63 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4108 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.96 REMARK 3 BIN R VALUE (WORKING SET) : 0.2620 REMARK 3 BIN FREE R VALUE SET COUNT : 221 REMARK 3 BIN FREE R VALUE : 0.2820 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2925 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 579 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.00000 REMARK 3 B22 (A**2) : 0.32000 REMARK 3 B33 (A**2) : 0.49000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.35000 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): 0.089 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.064 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.856 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.972 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.961 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 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.985 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.114 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.368 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.311 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;12.856 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;16.981 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.139 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.011 ; 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 ; 3.512 ; 2.960 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.510 ; 2.955 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.426 ; 4.417 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 5PZA 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_1001401300. 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 : 57636 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.590 REMARK 200 RESOLUTION RANGE LOW (A) : 31.290 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.8 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.04200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.59 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.63 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.59300 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 (%): 55.67 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 63.95000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.78500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.95000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.78500 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 B1103 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 1.79 REMARK 500 NH1 ARG A 803 O HOH A 1002 1.99 REMARK 500 O HOH A 1163 O HOH A 1222 2.05 REMARK 500 O HOH B 1013 O HOH B 1026 2.06 REMARK 500 O HOH A 1005 O HOH A 1032 2.09 REMARK 500 O HOH A 1126 O HOH A 1222 2.12 REMARK 500 O HOH A 1166 O HOH A 1258 2.13 REMARK 500 NH1 ARG A 829 O HOH A 1003 2.15 REMARK 500 O HOH A 1126 O HOH A 1158 2.16 REMARK 500 O HOH A 1087 O HOH A 1272 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH B 1259 O HOH B 1259 2555 1.63 REMARK 500 O HOH A 1054 O HOH A 1206 1565 1.91 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 -0.141 REMARK 500 GLU A 763 CD GLU A 763 OE1 -0.087 REMARK 500 GLU B 780 CD GLU B 780 OE2 0.070 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 754 CA - CB - SG ANGL. DEV. = 7.0 DEGREES REMARK 500 ARG A 803 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 803 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 ARG B 746 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 ARG B 746 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 ARG B 829 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 736 -120.20 -118.78 REMARK 500 LYS A 737 92.44 66.64 REMARK 500 ASN A 802 86.11 -151.06 REMARK 500 ARG A 849 -118.76 58.65 REMARK 500 ASN B 738 104.29 -166.82 REMARK 500 CYS B 754 82.57 -159.35 REMARK 500 PRO B 755 97.95 -61.01 REMARK 500 SER B 757 -173.17 -59.14 REMARK 500 GLN B 758 38.93 -68.86 REMARK 500 TYR B 801 -93.94 -111.50 REMARK 500 GLU B 804 -78.23 -137.62 REMARK 500 ARG B 849 -111.99 48.07 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 756 148.08 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 A1313 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH A1314 DISTANCE = 6.19 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.09 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.10 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.65 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 113.4 REMARK 620 3 HIS A 725 ND1 100.6 98.6 REMARK 620 4 CYS A 728 SG 109.6 117.7 115.5 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 107.5 REMARK 620 3 CYS A 742 SG 114.0 105.7 REMARK 620 4 CYS A 745 SG 105.3 104.6 118.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 903 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 754 SG REMARK 620 2 CYS A 754 SG 50.6 REMARK 620 3 GLU A 756 OE2 119.4 69.5 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 113.5 REMARK 620 3 HIS B 725 ND1 98.5 98.8 REMARK 620 4 CYS B 728 SG 109.0 117.4 118.0 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 717 SG REMARK 620 2 CYS B 720 SG 110.2 REMARK 620 3 CYS B 742 SG 111.1 108.0 REMARK 620 4 CYS B 745 SG 105.7 104.7 116.9 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 5PZA A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZA B 700 879 UNP P23497 SP100_HUMAN 700 879 SEQRES 1 A 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 A 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 A 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 A 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 A 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 A 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 A 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 A 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 A 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 A 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 A 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 A 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 A 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 A 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS SEQRES 1 B 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 B 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 B 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 B 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 B 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 B 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 B 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 B 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 B 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 B 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 B 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 B 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 B 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 B 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS HET ZN A 901 1 HET ZN A 902 1 HET ZN A 903 1 HET MES A 904 12 HET EDO A 905 4 HET ZN B 901 1 HET ZN B 902 1 HET EDO B 903 4 HETNAM ZN ZINC ION HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN 5(ZN 2+) FORMUL 6 MES C6 H13 N O4 S FORMUL 7 EDO 2(C2 H6 O2) FORMUL 11 HOH *579(H2 O) HELIX 1 AA1 CYS A 742 CYS A 754 1 13 HELIX 2 AA2 PRO A 755 SER A 759 5 5 HELIX 3 AA3 GLN A 762 ARG A 769 1 8 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 ARG B 753 1 12 HELIX 11 AB2 GLN B 762 MET B 768 1 7 HELIX 12 AB3 LEU B 772 ASP B 789 1 18 HELIX 13 AB4 SER B 790 ALA B 796 5 7 HELIX 14 AB5 TRP B 814 GLU B 824 1 11 HELIX 15 AB6 ARG B 829 ARG B 849 1 21 HELIX 16 AB7 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 PHE A 715 CYS A 716 0 SHEET 2 AA1 2 SER A 723 PHE A 724 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 LEU B 714 CYS B 716 0 SHEET 2 AA2 2 SER B 723 HIS B 725 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.27 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.34 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.31 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.30 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.10 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.33 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.32 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.35 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.56 LINK SG BCYS A 754 ZN ZN A 903 1555 1555 2.86 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 2.16 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.38 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.29 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.25 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.36 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.15 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.28 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.35 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.35 CISPEP 1 ILE A 730 PRO A 731 0 -13.35 CISPEP 2 ASN A 738 PRO A 739 0 -5.18 CISPEP 3 ILE B 730 PRO B 731 0 -14.52 CISPEP 4 ASN B 738 PRO B 739 0 9.93 CISPEP 5 ARG B 803 GLU B 804 0 -9.42 SITE *** AC1 4 CYS A 705 CYS A 708 HIS A 725 CYS A 728 SITE *** AC2 4 CYS A 717 CYS A 720 CYS A 742 CYS A 745 SITE *** AC3 2 CYS A 754 GLU A 756 SITE *** AC4 13 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 13 HOH A1054 HOH A1063 HOH A1079 HOH A1158 SITE *** AC4 13 HOH A1163 HOH A1222 ARG B 753 GLU B 774 SITE *** AC4 13 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1007 SITE *** AC5 6 HOH A1179 HOH A1225 SITE *** AC6 4 CYS B 705 CYS B 708 HIS B 725 CYS B 728 SITE *** AC7 4 CYS B 717 CYS B 720 CYS B 742 CYS B 745 SITE *** AC8 7 MES A 904 HOH A1072 ARG B 746 GLU B 774 SITE *** AC8 7 HOH B1001 HOH B1031 HOH B1163 CRYST1 127.900 45.570 83.680 90.00 101.90 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 0.001648 0.00000 SCALE2 0.000000 0.021944 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012213 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= -0.348 K(o=-0.5,f=-2.9) USER MOD Set 1.2: B 875 GLN : amide:sc= -0.149 X(o=-0.5,f=-0.61) USER MOD Set 2.1: B 821 SER OG : rot 164:sc= 2.44 USER MOD Set 2.2: B 826 MET CE B:methyl 180:sc=-0.00242 (180deg=-0.00242) USER MOD Set 3.1: B 813 MET CE :methyl 155:sc= -0.366 (180deg=-0.829) USER MOD Set 3.2: B 817 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Set 4.1: B 791 LYS NZ :NH3+ -177:sc= 1.53 (180deg=0.766) USER MOD Set 4.2: B 859 GLN : amide:sc= 0.602 K(o=2.1,f=-3.3!) USER MOD Set 5.1: B 787 TYR OH : rot 4:sc= 1.32 USER MOD Set 5.2: B 816 ASN : amide:sc= 2.28 K(o=3.6,f=2.7) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -165:sc= 0.836 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.6 K(o=2.4,f=-3.5) USER MOD Set 7.1: B 771 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 7.2: B 776 GLN : amide:sc= 2.09 K(o=2.4,f=-0.23) USER MOD Set 7.3: B 779 CYS SG : rot -99:sc= 0.293 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.392 K(o=0.89,f=-0.49) USER MOD Set 8.2: B 732 SER OG : rot -127:sc= 0.496 USER MOD Set 9.1: B 716 CYS SG A: rot -62:sc= 0.256 USER MOD Set 9.2: B 723 SER OG : rot 146:sc= 1.32 USER MOD Set10.1: B 719 THR OG1 : rot 80:sc= 1.91 USER MOD Set10.2: B 741 SER OG : rot -83:sc= 0.652 USER MOD Set11.1: A 791 LYS NZ :NH3+ -175:sc= 1.57 (180deg=0.846) USER MOD Set11.2: A 859 GLN : amide:sc= 0.637 K(o=2.2,f=-2.4) USER MOD Set12.1: A 787 TYR OH : rot -12:sc= 1.29 USER MOD Set12.2: A 816 ASN : amide:sc= 2.04 X(o=3.3,f=3.1) USER MOD Set13.1: A 771 MET CE :methyl 172:sc= 0 (180deg=-0.0772) USER MOD Set13.2: A 779 CYS SG : rot 136:sc= 0.304 USER MOD Set14.1: A 736 ASN : amide:sc=-0.00449 K(o=-1,f=-2.2) USER MOD Set14.2: A 738 ASN : amide:sc= -1 K(o=-1,f=-3.9!) USER MOD Set15.1: A 727 HIS : no HD1:sc= 0.71 K(o=1.5,f=-2.9) USER MOD Set15.2: A 732 SER OG : rot -114:sc= 0.834 USER MOD Set16.1: A 719 THR OG1 : rot 89:sc= 2.57 USER MOD Set16.2: A 741 SER OG : rot -57:sc= 1.27 USER MOD Set17.1: A 716 CYS SG : rot -54:sc= 0.0816 USER MOD Set17.2: A 723 SER OG : rot 138:sc= 1.21 USER MOD Single : A 701 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 709 ASN : amide:sc= 0.251 X(o=0.25,f=0.0034) USER MOD Single : A 710 LYS NZ :NH3+ -173:sc= 0.0403 (180deg=0.00144) USER MOD Single : A 729 HIS : no HE2:sc= 1.98 K(o=2,f=-9.1!) USER MOD Single : A 748 LYS NZ :NH3+ -173:sc= -0.0811 (180deg=-0.219) USER MOD Single : A 749 THR OG1 : rot 75:sc= 0.0526 USER MOD Single : A 751 GLN : amide:sc= -0.0165 K(o=-0.017,f=-0.78) USER MOD Single : A 754 CYS SG B: rot 44:sc= -0.392 USER MOD Single : A 757 SER OG : rot -77:sc= 1.3 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 173:sc= 0.873 USER MOD Single : A 761 HIS : no HE2:sc= -0.832 K(o=-0.83,f=-1.4) USER MOD Single : A 762 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.091) USER MOD Single : A 764 SER OG : rot -86:sc= 0.029 USER MOD Single : A 768 MET CE :methyl 171:sc= -0.0813 (180deg=-0.296) USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 776 GLN : amide:sc= 2.33 K(o=2.3,f=-0.96!) USER MOD Single : A 778 LYS NZ A:NH3+ 133:sc= -0.141 (180deg=-0.633) USER MOD Single : A 778 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 785 LYS NZ :NH3+ -177:sc= 1.08 (180deg=1.07) USER MOD Single : A 788 CYS SG : rot 62:sc= 0.0735 USER MOD Single : A 790 SER OG : rot -77:sc= 0 USER MOD Single : A 792 SER OG : rot -80:sc= 1.99 USER MOD Single : A 793 CYS SG : rot -87:sc= 0.0387 USER MOD Single : A 797 SER OG : rot 106:sc= 1.03 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 10:sc= 2.4 USER MOD Single : A 802 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.6!) USER MOD Single : A 806 SER OG : rot -149:sc= 1.14 USER MOD Single : A 807 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.53) USER MOD Single : A 810 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.38) USER MOD Single : A 811 LYS NZ :NH3+ -157:sc= 0.276 (180deg=0.133) USER MOD Single : A 813 MET CE :methyl 167:sc= -0.0316 (180deg=-0.327) USER MOD Single : A 817 LYS NZ :NH3+ 168:sc= -0.0106 (180deg=-0.166) USER MOD Single : A 819 LYS NZ :NH3+ 177:sc= 1.49 (180deg=1.48) USER MOD Single : A 820 THR OG1 : rot 93:sc= 0.53 USER MOD Single : A 821 SER OG : rot 75:sc= 1.34 USER MOD Single : A 823 ASN : amide:sc= 0.989 X(o=0.99,f=0.63) USER MOD Single : A 825 GLN : amide:sc= 0.554 X(o=0.55,f=0.6) USER MOD Single : A 826 MET CE A:methyl -157:sc= -0.166 (180deg=-0.725) USER MOD Single : A 826 MET CE B:methyl 150:sc= -3.61! (180deg=-4.29!) USER MOD Single : A 827 TYR OH : rot -3:sc= 1.21 USER MOD Single : A 828 THR OG1 : rot 126:sc= 1.54 USER MOD Single : A 835 GLN : amide:sc= 1.05 K(o=1,f=-0.11) USER MOD Single : A 837 MET CE :methyl -168:sc=-0.00089 (180deg=-0.107) USER MOD Single : A 842 HIS : no HE2:sc= 1.78 K(o=1.8,f=-4.7!) USER MOD Single : A 843 ASN : amide:sc= 3.08 K(o=3.1,f=0.67) USER MOD Single : A 844 HIS : no HD1:sc= 1.56 K(o=1.6,f=-4.8!) 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 23:sc= 2.21 USER MOD Single : A 852 LYS NZ :NH3+ -174:sc= 0.964 (180deg=0.946) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -79:sc= 0.236 USER MOD Single : A 861 GLN : amide:sc= 1.14 K(o=1.1,f=0.21) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 3.06 K(o=3.1,f=1.5) USER MOD Single : A 870 ASN : amide:sc= 1.21 K(o=1.2,f=0.66) USER MOD Single : A 875 GLN : amide:sc= 0.125 X(o=0.13,f=-0.058) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0 USER MOD Single : A 905 EDO O1 : rot -89:sc= 0.839 USER MOD Single : A 905 EDO O2 : rot -150:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : B 702 SER OG : rot 180:sc= 0.0857 USER MOD Single : B 703 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.4) USER MOD Single : B 709 ASN : amide:sc= 0.00537 X(o=0.0054,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 21:sc= 0.196 USER MOD Single : B 729 HIS : no HE2:sc= 1.78 K(o=1.8,f=-7.6!) USER MOD Single : B 736 ASN : amide:sc= -0.0697 K(o=-0.07,f=-2.9!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.028) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 83:sc= 0.293 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.24 K(o=0.24,f=-1.1) 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 -172:sc= -0.641 (180deg=-0.924) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 70:sc= 0.216 USER MOD Single : B 790 SER OG : rot -109:sc= 0.0257 USER MOD Single : B 792 SER OG : rot -79:sc= 1.89 USER MOD Single : B 793 CYS SG : rot -80:sc= 0.0133 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.819 USER MOD Single : B 801 TYR OH : rot -33:sc= 1.91 USER MOD Single : B 802 ASN : amide:sc= 0.0231 X(o=0.023,f=0) USER MOD Single : B 810 GLN : amide:sc= 0.745 K(o=0.75,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -130:sc= 0.0243 (180deg=0) USER MOD Single : B 819 LYS NZ :NH3+ 177:sc= 1.05 (180deg=1.04) USER MOD Single : B 820 THR OG1 : rot 81:sc= 1.03 USER MOD Single : B 823 ASN : amide:sc= 2.2 K(o=2.2,f=1.5) USER MOD Single : B 825 GLN : amide:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : B 826 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : B 827 TYR OH : rot 0:sc= 1.3 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.54) USER MOD Single : B 837 MET CE :methyl -171:sc= 0 (180deg=-0.0623) USER MOD Single : B 842 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : B 843 ASN : amide:sc= 1.76 K(o=1.8,f=-0.2) USER MOD Single : B 844 HIS : no HD1:sc= 1.27 K(o=1.3,f=-4.4!) USER MOD Single : B 845 LYS NZ :NH3+ 149:sc= 0.0268 (180deg=-0.0427) USER MOD Single : B 848 TYR OH : rot 30:sc= 1.1 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 -75:sc= 0.512 USER MOD Single : B 861 GLN : amide:sc= 0.765 K(o=0.76,f=-0.12) USER MOD Single : B 866 LYS NZ :NH3+ -176:sc= 0.715 (180deg=0.561) USER MOD Single : B 870 ASN : amide:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : B 903 EDO O1 : rot 63:sc= 1.23 USER MOD Single : B 903 EDO O2 : rot -26:sc= 0.828 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.696 -4.826 -4.129 1.00 56.75 N ATOM 2 CA ASN A 701 15.282 -3.921 -3.091 1.00 58.19 C ATOM 3 C ASN A 701 14.227 -2.957 -2.548 1.00 61.68 C ATOM 4 O ASN A 701 13.235 -2.661 -3.222 1.00 46.66 O ATOM 5 CB ASN A 701 16.478 -3.138 -3.636 1.00 62.81 C ATOM 6 CG ASN A 701 17.727 -3.981 -3.722 1.00 70.61 C ATOM 7 OD1 ASN A 701 18.139 -4.348 -4.813 1.00 79.40 O ATOM 8 ND2 ASN A 701 18.344 -4.293 -2.570 1.00 68.61 N ATOM 0 HA ASN A 701 15.595 -4.483 -2.365 1.00 58.19 H new ATOM 0 HB2 ASN A 701 16.262 -2.794 -4.517 1.00 62.81 H new ATOM 0 HB3 ASN A 701 16.647 -2.372 -3.066 1.00 62.81 H new ATOM 0 HD21 ASN A 701 19.060 -4.770 -2.581 1.00 68.61 H new ATOM 0 HD22 ASN A 701 18.023 -4.016 -1.822 1.00 68.61 H new ATOM 9 N SER A 702 14.442 -2.488 -1.323 1.00 53.35 N ATOM 10 CA SER A 702 13.607 -1.453 -0.731 1.00 50.29 C ATOM 11 C SER A 702 13.785 -0.139 -1.521 1.00 45.39 C ATOM 12 O SER A 702 14.848 0.129 -2.075 1.00 44.81 O ATOM 13 CB SER A 702 13.973 -1.263 0.775 1.00 48.92 C ATOM 14 OG SER A 702 13.031 -0.447 1.491 1.00 44.46 O ATOM 0 H SER A 702 15.077 -2.762 -0.812 1.00 53.35 H new ATOM 0 HA SER A 702 12.675 -1.717 -0.777 1.00 50.29 H new ATOM 0 HB2 SER A 702 14.027 -2.133 1.200 1.00 48.92 H new ATOM 0 HB3 SER A 702 14.854 -0.861 0.839 1.00 48.92 H new ATOM 0 HG SER A 702 13.272 -0.378 2.293 1.00 44.46 H new ATOM 15 N ASN A 703 12.723 0.678 -1.538 1.00 46.39 N ATOM 16 CA ASN A 703 12.674 1.975 -2.222 1.00 50.58 C ATOM 17 C ASN A 703 12.945 3.147 -1.318 1.00 47.06 C ATOM 18 O ASN A 703 12.919 4.277 -1.794 1.00 41.57 O ATOM 19 CB ASN A 703 11.260 2.213 -2.812 1.00 59.43 C ATOM 20 CG ASN A 703 10.791 1.061 -3.667 1.00 76.77 C ATOM 21 OD1 ASN A 703 11.604 0.344 -4.279 1.00 86.05 O ATOM 22 ND2 ASN A 703 9.477 0.862 -3.717 1.00 84.45 N ATOM 0 H ASN A 703 11.987 0.483 -1.137 1.00 46.39 H new ATOM 0 HA ASN A 703 13.365 1.927 -2.901 1.00 50.58 H new ATOM 0 HB2 ASN A 703 10.630 2.353 -2.088 1.00 59.43 H new ATOM 0 HB3 ASN A 703 11.266 3.025 -3.343 1.00 59.43 H new ATOM 0 HD21 ASN A 703 9.157 0.216 -4.186 1.00 84.45 H new ATOM 0 HD22 ASN A 703 8.947 1.379 -3.280 1.00 84.45 H new ATOM 23 N ILE A 704 13.235 2.881 -0.025 1.00 38.40 N ATOM 24 CA ILE A 704 13.680 3.917 0.913 1.00 33.59 C ATOM 25 C ILE A 704 15.037 3.512 1.557 1.00 28.07 C ATOM 26 O ILE A 704 15.300 2.314 1.634 1.00 31.47 O ATOM 27 CB ILE A 704 12.595 4.258 1.995 1.00 32.59 C ATOM 28 CG1 ILE A 704 12.062 3.038 2.749 1.00 38.45 C ATOM 29 CG2 ILE A 704 11.358 4.875 1.283 1.00 41.87 C ATOM 30 CD1 ILE A 704 11.106 3.367 3.893 1.00 39.32 C ATOM 0 H ILE A 704 13.177 2.097 0.323 1.00 38.40 H new ATOM 0 HA ILE A 704 13.813 4.734 0.407 1.00 33.59 H new ATOM 0 HB ILE A 704 13.031 4.853 2.625 1.00 32.59 H new ATOM 0 HG12 ILE A 704 11.607 2.457 2.120 1.00 38.45 H new ATOM 0 HG13 ILE A 704 12.814 2.538 3.104 1.00 38.45 H new ATOM 0 HG21 ILE A 704 10.679 5.090 1.942 1.00 41.87 H new ATOM 0 HG22 ILE A 704 11.623 5.683 0.816 1.00 41.87 H new ATOM 0 HG23 ILE A 704 10.999 4.237 0.646 1.00 41.87 H new ATOM 0 HD11 ILE A 704 10.815 2.545 4.318 1.00 39.32 H new ATOM 0 HD12 ILE A 704 11.560 3.924 4.544 1.00 39.32 H new ATOM 0 HD13 ILE A 704 10.335 3.841 3.544 1.00 39.32 H new ATOM 31 N CYS A 705 15.841 4.513 1.886 1.00 27.83 N ATOM 32 CA CYS A 705 17.045 4.330 2.796 1.00 26.64 C ATOM 33 C CYS A 705 16.701 3.637 4.072 1.00 28.41 C ATOM 34 O CYS A 705 15.859 4.096 4.815 1.00 26.93 O ATOM 35 CB CYS A 705 17.688 5.640 3.086 1.00 26.44 C ATOM 36 SG CYS A 705 19.288 5.588 3.995 1.00 26.91 S ATOM 0 H CYS A 705 15.733 5.320 1.608 1.00 27.83 H new ATOM 0 HA CYS A 705 17.670 3.762 2.318 1.00 26.64 H new ATOM 0 HB2 CYS A 705 17.832 6.100 2.244 1.00 26.44 H new ATOM 0 HB3 CYS A 705 17.065 6.177 3.600 1.00 26.44 H new ATOM 37 N GLU A 706 17.492 2.597 4.434 1.00 27.03 N ATOM 38 CA GLU A 706 17.252 1.836 5.631 1.00 26.60 C ATOM 39 C GLU A 706 17.476 2.655 6.895 1.00 22.44 C ATOM 40 O GLU A 706 16.847 2.355 7.879 1.00 23.22 O ATOM 41 CB GLU A 706 18.299 0.704 5.717 1.00 29.71 C ATOM 42 CG GLU A 706 18.041 -0.299 6.793 1.00 31.99 C ATOM 43 CD GLU A 706 16.957 -1.271 6.465 1.00 35.22 C ATOM 44 OE1 GLU A 706 16.300 -1.148 5.419 1.00 41.34 O ATOM 45 OE2 GLU A 706 16.735 -2.197 7.221 1.00 36.38 O ATOM 0 H GLU A 706 18.173 2.334 3.979 1.00 27.03 H new ATOM 0 HA GLU A 706 16.334 1.527 5.581 1.00 26.60 H new ATOM 0 HB2 GLU A 706 18.332 0.244 4.863 1.00 29.71 H new ATOM 0 HB3 GLU A 706 19.174 1.098 5.861 1.00 29.71 H new ATOM 0 HG2 GLU A 706 18.860 -0.788 6.970 1.00 31.99 H new ATOM 0 HG3 GLU A 706 17.808 0.169 7.610 1.00 31.99 H new ATOM 46 N VAL A 707 18.363 3.621 6.812 1.00 22.84 N ATOM 47 CA VAL A 707 18.786 4.458 7.954 1.00 21.34 C ATOM 48 C VAL A 707 17.804 5.602 8.245 1.00 25.55 C ATOM 49 O VAL A 707 17.259 5.722 9.336 1.00 24.59 O ATOM 50 CB VAL A 707 20.184 5.012 7.804 1.00 21.18 C ATOM 51 CG1 VAL A 707 20.588 5.817 9.009 1.00 22.57 C ATOM 52 CG2 VAL A 707 21.241 3.885 7.610 1.00 24.22 C ATOM 0 H VAL A 707 18.757 3.827 6.076 1.00 22.84 H new ATOM 0 HA VAL A 707 18.787 3.853 8.712 1.00 21.34 H new ATOM 0 HB VAL A 707 20.161 5.576 7.015 1.00 21.18 H new ATOM 0 HG11 VAL A 707 21.487 6.158 8.884 1.00 22.57 H new ATOM 0 HG12 VAL A 707 19.974 6.559 9.123 1.00 22.57 H new ATOM 0 HG13 VAL A 707 20.564 5.253 9.798 1.00 22.57 H new ATOM 0 HG21 VAL A 707 22.122 4.280 7.518 1.00 24.22 H new ATOM 0 HG22 VAL A 707 21.230 3.295 8.380 1.00 24.22 H new ATOM 0 HG23 VAL A 707 21.030 3.377 6.811 1.00 24.22 H new ATOM 53 N CYS A 708 17.566 6.420 7.218 1.00 24.49 N ATOM 54 CA CYS A 708 16.763 7.679 7.370 1.00 26.88 C ATOM 55 C CYS A 708 15.354 7.575 6.783 1.00 28.75 C ATOM 56 O CYS A 708 14.562 8.496 6.944 1.00 26.71 O ATOM 57 CB CYS A 708 17.511 8.811 6.789 1.00 26.90 C ATOM 58 SG CYS A 708 17.426 8.820 4.958 1.00 27.91 S ATOM 0 H CYS A 708 17.853 6.279 6.420 1.00 24.49 H new ATOM 0 HA CYS A 708 16.632 7.830 8.319 1.00 26.88 H new ATOM 0 HB2 CYS A 708 17.154 9.645 7.133 1.00 26.90 H new ATOM 0 HB3 CYS A 708 18.438 8.763 7.069 1.00 26.90 H new ATOM 59 N ASN A 709 15.041 6.469 6.140 1.00 27.39 N ATOM 60 CA ASN A 709 13.659 6.176 5.689 1.00 32.90 C ATOM 61 C ASN A 709 13.128 7.121 4.633 1.00 32.25 C ATOM 62 O ASN A 709 11.882 7.258 4.539 1.00 34.46 O ATOM 63 CB ASN A 709 12.693 6.149 6.866 1.00 35.48 C ATOM 64 CG ASN A 709 13.098 5.102 7.872 1.00 41.65 C ATOM 65 OD1 ASN A 709 13.515 5.398 9.004 1.00 46.12 O ATOM 66 ND2 ASN A 709 13.060 3.874 7.437 1.00 37.11 N ATOM 0 H ASN A 709 15.611 5.856 5.944 1.00 27.39 H new ATOM 0 HA ASN A 709 13.717 5.300 5.276 1.00 32.90 H new ATOM 0 HB2 ASN A 709 12.672 7.020 7.292 1.00 35.48 H new ATOM 0 HB3 ASN A 709 11.795 5.967 6.548 1.00 35.48 H new ATOM 0 HD21 ASN A 709 13.330 3.231 7.940 1.00 37.11 H new ATOM 0 HD22 ASN A 709 12.765 3.707 6.647 1.00 37.11 H new ATOM 67 N LYS A 710 14.032 7.788 3.911 1.00 32.44 N ATOM 68 CA LYS A 710 13.673 8.691 2.785 1.00 32.78 C ATOM 69 C LYS A 710 14.145 8.056 1.469 1.00 38.35 C ATOM 70 O LYS A 710 15.084 7.255 1.409 1.00 34.95 O ATOM 71 CB LYS A 710 14.344 10.006 2.932 1.00 29.37 C ATOM 72 CG LYS A 710 13.918 10.771 4.174 1.00 40.03 C ATOM 73 CD LYS A 710 12.507 11.307 4.032 1.00 43.78 C ATOM 74 CE LYS A 710 12.210 12.363 5.105 1.00 50.11 C ATOM 75 NZ LYS A 710 12.319 11.801 6.480 1.00 58.49 N ATOM 0 H LYS A 710 14.878 7.735 4.054 1.00 32.44 H new ATOM 0 HA LYS A 710 12.712 8.820 2.786 1.00 32.78 H new ATOM 0 HB2 LYS A 710 15.304 9.870 2.959 1.00 29.37 H new ATOM 0 HB3 LYS A 710 14.156 10.546 2.148 1.00 29.37 H new ATOM 0 HG2 LYS A 710 13.969 10.189 4.948 1.00 40.03 H new ATOM 0 HG3 LYS A 710 14.531 11.506 4.330 1.00 40.03 H new ATOM 0 HD2 LYS A 710 12.392 11.695 3.151 1.00 43.78 H new ATOM 0 HD3 LYS A 710 11.871 10.578 4.106 1.00 43.78 H new ATOM 0 HE2 LYS A 710 12.828 13.104 5.009 1.00 50.11 H new ATOM 0 HE3 LYS A 710 11.317 12.718 4.971 1.00 50.11 H new ATOM 0 HZ1 LYS A 710 12.044 12.407 7.071 1.00 58.49 H new ATOM 0 HZ2 LYS A 710 11.812 11.072 6.544 1.00 58.49 H new ATOM 0 HZ3 LYS A 710 13.167 11.588 6.647 1.00 58.49 H new ATOM 76 N TRP A 711 13.489 8.434 0.376 1.00 33.27 N ATOM 77 CA TRP A 711 13.927 8.074 -0.968 1.00 31.03 C ATOM 78 C TRP A 711 15.017 9.024 -1.369 1.00 28.39 C ATOM 79 O TRP A 711 15.460 9.919 -0.586 1.00 39.95 O ATOM 80 CB TRP A 711 12.676 8.047 -1.891 1.00 35.34 C ATOM 81 CG TRP A 711 12.916 7.720 -3.313 1.00 35.60 C ATOM 82 CD1 TRP A 711 13.255 6.517 -3.823 1.00 39.24 C ATOM 83 CD2 TRP A 711 12.862 8.627 -4.403 1.00 33.93 C ATOM 84 NE1 TRP A 711 13.443 6.614 -5.177 1.00 40.95 N ATOM 85 CE2 TRP A 711 13.207 7.907 -5.551 1.00 31.25 C ATOM 86 CE3 TRP A 711 12.573 9.987 -4.518 1.00 29.95 C ATOM 87 CZ2 TRP A 711 13.207 8.488 -6.812 1.00 36.81 C ATOM 88 CZ3 TRP A 711 12.592 10.559 -5.768 1.00 33.61 C ATOM 89 CH2 TRP A 711 12.893 9.807 -6.879 1.00 28.87 C ATOM 0 H TRP A 711 12.773 8.910 0.394 1.00 33.27 H new ATOM 0 HA TRP A 711 14.316 7.188 -1.030 1.00 31.03 H new ATOM 0 HB2 TRP A 711 12.047 7.401 -1.532 1.00 35.34 H new ATOM 0 HB3 TRP A 711 12.247 8.916 -1.847 1.00 35.34 H new ATOM 0 HD1 TRP A 711 13.348 5.736 -3.327 1.00 39.24 H new ATOM 0 HE1 TRP A 711 13.670 5.971 -5.701 1.00 40.95 H new ATOM 0 HE3 TRP A 711 12.372 10.495 -3.766 1.00 29.95 H new ATOM 0 HZ2 TRP A 711 13.412 7.997 -7.575 1.00 36.81 H new ATOM 0 HZ3 TRP A 711 12.399 11.464 -5.863 1.00 33.61 H new ATOM 0 HH2 TRP A 711 12.881 10.220 -7.712 1.00 28.87 H new ATOM 90 N GLY A 712 15.578 8.780 -2.564 1.00 31.74 N ATOM 91 CA GLY A 712 16.596 9.615 -3.118 1.00 31.61 C ATOM 92 C GLY A 712 17.487 8.725 -4.003 1.00 28.36 C ATOM 93 O GLY A 712 17.024 7.701 -4.528 1.00 31.20 O ATOM 0 H GLY A 712 15.361 8.114 -3.063 1.00 31.74 H new ATOM 0 HA2 GLY A 712 16.203 10.332 -3.640 1.00 31.61 H new ATOM 0 HA3 GLY A 712 17.119 10.030 -2.414 1.00 31.61 H new ATOM 94 N ARG A 713 18.699 9.171 -4.144 1.00 30.45 N ATOM 95 CA ARG A 713 19.804 8.419 -4.766 1.00 31.84 C ATOM 96 C ARG A 713 20.228 7.272 -3.808 1.00 35.24 C ATOM 97 O ARG A 713 20.854 7.508 -2.780 1.00 36.48 O ATOM 98 CB ARG A 713 20.941 9.347 -5.084 1.00 35.60 C ATOM 99 CG ARG A 713 22.144 8.717 -5.780 1.00 44.18 C ATOM 100 CD ARG A 713 21.802 7.946 -7.065 1.00 54.91 C ATOM 101 NE ARG A 713 22.877 7.045 -7.484 1.00 65.97 N ATOM 102 CZ ARG A 713 22.778 5.729 -7.711 1.00 71.94 C ATOM 103 NH1 ARG A 713 23.871 5.063 -8.086 1.00 76.68 N ATOM 104 NH2 ARG A 713 21.628 5.062 -7.578 1.00 73.11 N ATOM 0 H ARG A 713 18.935 9.953 -3.876 1.00 30.45 H new ATOM 0 HA ARG A 713 19.519 8.024 -5.605 1.00 31.84 H new ATOM 0 HB2 ARG A 713 20.604 10.063 -5.645 1.00 35.60 H new ATOM 0 HB3 ARG A 713 21.244 9.753 -4.257 1.00 35.60 H new ATOM 0 HG2 ARG A 713 22.782 9.415 -5.995 1.00 44.18 H new ATOM 0 HG3 ARG A 713 22.583 8.113 -5.160 1.00 44.18 H new ATOM 0 HD2 ARG A 713 20.991 7.433 -6.924 1.00 54.91 H new ATOM 0 HD3 ARG A 713 21.618 8.578 -7.778 1.00 54.91 H new ATOM 0 HE ARG A 713 23.653 7.398 -7.596 1.00 65.97 H new ATOM 0 HH11 ARG A 713 24.618 5.479 -8.177 1.00 76.68 H new ATOM 0 HH12 ARG A 713 23.829 4.217 -8.237 1.00 76.68 H new ATOM 0 HH21 ARG A 713 20.915 5.478 -7.338 1.00 73.11 H new ATOM 0 HH22 ARG A 713 21.601 4.216 -7.732 1.00 73.11 H new ATOM 105 N LEU A 714 19.794 6.077 -4.118 1.00 32.63 N ATOM 106 CA LEU A 714 19.984 4.916 -3.273 1.00 34.24 C ATOM 107 C LEU A 714 20.950 3.929 -3.938 1.00 43.14 C ATOM 108 O LEU A 714 20.954 3.774 -5.152 1.00 39.58 O ATOM 109 CB LEU A 714 18.695 4.191 -3.012 1.00 33.59 C ATOM 110 CG LEU A 714 17.550 4.939 -2.313 1.00 31.38 C ATOM 111 CD1 LEU A 714 16.265 4.175 -2.269 1.00 33.92 C ATOM 112 CD2 LEU A 714 17.968 5.357 -0.910 1.00 38.95 C ATOM 0 H LEU A 714 19.368 5.907 -4.845 1.00 32.63 H new ATOM 0 HA LEU A 714 20.342 5.240 -2.432 1.00 34.24 H new ATOM 0 HB2 LEU A 714 18.360 3.873 -3.865 1.00 33.59 H new ATOM 0 HB3 LEU A 714 18.902 3.408 -2.479 1.00 33.59 H new ATOM 0 HG LEU A 714 17.375 5.726 -2.852 1.00 31.38 H new ATOM 0 HD11 LEU A 714 15.589 4.704 -1.816 1.00 33.92 H new ATOM 0 HD12 LEU A 714 15.972 3.982 -3.173 1.00 33.92 H new ATOM 0 HD13 LEU A 714 16.399 3.343 -1.789 1.00 33.92 H new ATOM 0 HD21 LEU A 714 17.236 5.828 -0.481 1.00 38.95 H new ATOM 0 HD22 LEU A 714 18.194 4.569 -0.391 1.00 38.95 H new ATOM 0 HD23 LEU A 714 18.741 5.941 -0.963 1.00 38.95 H new ATOM 113 N PHE A 715 21.755 3.264 -3.109 1.00 38.95 N ATOM 114 CA PHE A 715 22.599 2.164 -3.497 1.00 37.64 C ATOM 115 C PHE A 715 22.039 0.893 -2.906 1.00 35.21 C ATOM 116 O PHE A 715 21.762 0.818 -1.696 1.00 38.67 O ATOM 117 CB PHE A 715 23.968 2.461 -3.015 1.00 36.64 C ATOM 118 CG PHE A 715 24.545 3.710 -3.612 1.00 43.72 C ATOM 119 CD1 PHE A 715 25.278 3.646 -4.809 1.00 45.80 C ATOM 120 CD2 PHE A 715 24.368 4.936 -3.012 1.00 45.89 C ATOM 121 CE1 PHE A 715 25.831 4.778 -5.355 1.00 50.46 C ATOM 122 CE2 PHE A 715 24.913 6.087 -3.559 1.00 46.83 C ATOM 123 CZ PHE A 715 25.651 6.009 -4.740 1.00 52.11 C ATOM 0 H PHE A 715 21.819 3.458 -2.274 1.00 38.95 H new ATOM 0 HA PHE A 715 22.631 2.045 -4.459 1.00 37.64 H new ATOM 0 HB2 PHE A 715 23.953 2.548 -2.049 1.00 36.64 H new ATOM 0 HB3 PHE A 715 24.548 1.712 -3.223 1.00 36.64 H new ATOM 0 HD1 PHE A 715 25.390 2.828 -5.236 1.00 45.80 H new ATOM 0 HD2 PHE A 715 23.874 4.993 -2.226 1.00 45.89 H new ATOM 0 HE1 PHE A 715 26.328 4.720 -6.139 1.00 50.46 H new ATOM 0 HE2 PHE A 715 24.787 6.908 -3.140 1.00 46.83 H new ATOM 0 HZ PHE A 715 26.020 6.777 -5.113 1.00 52.11 H new ATOM 124 N CYS A 716 21.851 -0.129 -3.728 1.00 35.71 N ATOM 125 CA CYS A 716 21.233 -1.339 -3.280 1.00 35.68 C ATOM 126 C CYS A 716 22.240 -2.412 -2.922 1.00 38.41 C ATOM 127 O CYS A 716 23.339 -2.492 -3.523 1.00 44.61 O ATOM 128 CB CYS A 716 20.283 -1.906 -4.300 1.00 45.45 C ATOM 129 SG CYS A 716 18.839 -0.858 -4.686 1.00 52.40 S ATOM 0 H CYS A 716 22.081 -0.130 -4.557 1.00 35.71 H new ATOM 0 HA CYS A 716 20.741 -1.086 -2.483 1.00 35.68 H new ATOM 0 HB2 CYS A 716 20.773 -2.071 -5.121 1.00 45.45 H new ATOM 0 HB3 CYS A 716 19.965 -2.765 -3.982 1.00 45.45 H new ATOM 0 HG CYS A 716 18.258 -0.587 -3.672 1.00 52.40 H new ATOM 130 N CYS A 717 21.864 -3.203 -1.926 1.00 34.83 N ATOM 131 CA CYS A 717 22.730 -4.282 -1.470 1.00 40.12 C ATOM 132 C CYS A 717 22.501 -5.428 -2.421 1.00 39.83 C ATOM 133 O CYS A 717 21.358 -5.680 -2.764 1.00 43.80 O ATOM 134 CB CYS A 717 22.319 -4.772 -0.090 1.00 32.01 C ATOM 135 SG CYS A 717 23.372 -6.076 0.541 1.00 35.36 S ATOM 0 H CYS A 717 21.118 -3.134 -1.504 1.00 34.83 H new ATOM 0 HA CYS A 717 23.649 -3.973 -1.437 1.00 40.12 H new ATOM 0 HB2 CYS A 717 22.333 -4.025 0.529 1.00 32.01 H new ATOM 0 HB3 CYS A 717 21.404 -5.093 -0.127 1.00 32.01 H new ATOM 136 N ASP A 718 23.549 -6.179 -2.751 1.00 44.35 N ATOM 137 CA ASP A 718 23.362 -7.337 -3.651 1.00 43.70 C ATOM 138 C ASP A 718 22.943 -8.618 -2.954 1.00 52.07 C ATOM 139 O ASP A 718 22.359 -9.504 -3.566 1.00 55.01 O ATOM 140 CB ASP A 718 24.579 -7.521 -4.532 1.00 47.78 C ATOM 141 CG ASP A 718 24.691 -6.433 -5.568 1.00 48.52 C ATOM 142 OD1 ASP A 718 23.694 -6.251 -6.287 1.00 59.49 O ATOM 143 OD2 ASP A 718 25.743 -5.753 -5.679 1.00 46.58 O ATOM 0 H ASP A 718 24.355 -6.049 -2.480 1.00 44.35 H new ATOM 0 HA ASP A 718 22.602 -7.125 -4.215 1.00 43.70 H new ATOM 0 HB2 ASP A 718 25.378 -7.527 -3.982 1.00 47.78 H new ATOM 0 HB3 ASP A 718 24.531 -8.384 -4.973 1.00 47.78 H new ATOM 144 N THR A 719 23.179 -8.712 -1.665 1.00 43.34 N ATOM 145 CA THR A 719 22.858 -9.890 -0.929 1.00 41.05 C ATOM 146 C THR A 719 21.713 -9.780 -0.003 1.00 38.16 C ATOM 147 O THR A 719 21.416 -10.727 0.691 1.00 38.00 O ATOM 148 CB THR A 719 24.118 -10.326 -0.161 1.00 46.45 C ATOM 149 OG1 THR A 719 24.645 -9.206 0.586 1.00 40.94 O ATOM 150 CG2 THR A 719 25.184 -10.753 -1.170 1.00 44.87 C ATOM 0 H THR A 719 23.533 -8.085 -1.195 1.00 43.34 H new ATOM 0 HA THR A 719 22.571 -10.549 -1.580 1.00 41.05 H new ATOM 0 HB THR A 719 23.891 -11.053 0.439 1.00 46.45 H new ATOM 0 HG1 THR A 719 24.293 -9.187 1.348 1.00 40.94 H new ATOM 0 HG21 THR A 719 25.984 -11.030 -0.697 1.00 44.87 H new ATOM 0 HG22 THR A 719 24.850 -11.493 -1.701 1.00 44.87 H new ATOM 0 HG23 THR A 719 25.395 -10.007 -1.753 1.00 44.87 H new ATOM 151 N CYS A 720 21.081 -8.617 0.097 1.00 34.88 N ATOM 152 CA CYS A 720 19.827 -8.506 0.856 1.00 34.70 C ATOM 153 C CYS A 720 19.028 -7.381 0.209 1.00 32.12 C ATOM 154 O CYS A 720 19.572 -6.676 -0.565 1.00 38.08 O ATOM 155 CB CYS A 720 20.070 -8.208 2.351 1.00 36.34 C ATOM 156 SG CYS A 720 20.429 -6.458 2.772 1.00 37.02 S ATOM 0 H CYS A 720 21.353 -7.884 -0.261 1.00 34.88 H new ATOM 0 HA CYS A 720 19.348 -9.349 0.829 1.00 34.70 H new ATOM 0 HB2 CYS A 720 19.287 -8.489 2.850 1.00 36.34 H new ATOM 0 HB3 CYS A 720 20.811 -8.754 2.655 1.00 36.34 H new ATOM 157 N PRO A 721 17.760 -7.196 0.588 1.00 36.77 N ATOM 158 CA PRO A 721 16.931 -6.146 -0.034 1.00 39.04 C ATOM 159 C PRO A 721 17.080 -4.694 0.481 1.00 44.93 C ATOM 160 O PRO A 721 16.435 -3.793 -0.035 1.00 46.36 O ATOM 161 CB PRO A 721 15.505 -6.629 0.218 1.00 37.70 C ATOM 162 CG PRO A 721 15.565 -7.551 1.361 1.00 43.53 C ATOM 163 CD PRO A 721 16.997 -7.994 1.553 1.00 38.48 C ATOM 0 HA PRO A 721 17.209 -6.055 -0.959 1.00 39.04 H new ATOM 0 HB2 PRO A 721 14.917 -5.881 0.409 1.00 37.70 H new ATOM 0 HB3 PRO A 721 15.149 -7.076 -0.566 1.00 37.70 H new ATOM 0 HG2 PRO A 721 15.238 -7.114 2.163 1.00 43.53 H new ATOM 0 HG3 PRO A 721 14.994 -8.319 1.204 1.00 43.53 H new ATOM 0 HD2 PRO A 721 17.298 -7.833 2.461 1.00 38.48 H new ATOM 0 HD3 PRO A 721 17.099 -8.944 1.385 1.00 38.48 H new ATOM 164 N ARG A 722 17.943 -4.440 1.437 1.00 35.43 N ATOM 165 CA ARG A 722 18.154 -3.024 1.842 1.00 37.25 C ATOM 166 C ARG A 722 18.779 -2.105 0.842 1.00 32.22 C ATOM 167 O ARG A 722 19.576 -2.497 0.007 1.00 36.34 O ATOM 168 CB ARG A 722 18.983 -2.954 3.143 1.00 31.81 C ATOM 169 CG ARG A 722 18.377 -3.784 4.224 1.00 33.14 C ATOM 170 CD ARG A 722 19.296 -3.852 5.457 1.00 29.00 C ATOM 171 NE ARG A 722 18.687 -4.515 6.557 1.00 30.12 N ATOM 172 CZ ARG A 722 18.844 -5.805 6.884 1.00 29.48 C ATOM 173 NH1 ARG A 722 19.528 -6.638 6.113 1.00 30.71 N ATOM 174 NH2 ARG A 722 18.278 -6.264 7.945 1.00 30.18 N ATOM 0 H ARG A 722 18.408 -5.026 1.861 1.00 35.43 H new ATOM 0 HA ARG A 722 17.247 -2.699 1.952 1.00 37.25 H new ATOM 0 HB2 ARG A 722 19.887 -3.259 2.968 1.00 31.81 H new ATOM 0 HB3 ARG A 722 19.046 -2.032 3.438 1.00 31.81 H new ATOM 0 HG2 ARG A 722 17.518 -3.411 4.478 1.00 33.14 H new ATOM 0 HG3 ARG A 722 18.210 -4.680 3.892 1.00 33.14 H new ATOM 0 HD2 ARG A 722 20.116 -4.313 5.220 1.00 29.00 H new ATOM 0 HD3 ARG A 722 19.543 -2.952 5.722 1.00 29.00 H new ATOM 0 HE ARG A 722 18.170 -4.045 7.059 1.00 30.12 H new ATOM 0 HH11 ARG A 722 19.884 -6.354 5.383 1.00 30.71 H new ATOM 0 HH12 ARG A 722 19.616 -7.462 6.342 1.00 30.71 H new ATOM 0 HH21 ARG A 722 17.803 -5.744 8.438 1.00 30.18 H new ATOM 0 HH22 ARG A 722 18.375 -7.091 8.161 1.00 30.18 H new ATOM 175 N SER A 723 18.480 -0.813 0.986 1.00 32.19 N ATOM 176 CA SER A 723 19.123 0.240 0.210 1.00 27.81 C ATOM 177 C SER A 723 19.568 1.366 1.103 1.00 28.51 C ATOM 178 O SER A 723 18.955 1.526 2.170 1.00 30.47 O ATOM 179 CB SER A 723 18.156 0.808 -0.921 1.00 35.27 C ATOM 180 OG SER A 723 17.489 -0.318 -1.577 1.00 37.13 O ATOM 0 H SER A 723 17.892 -0.524 1.543 1.00 32.19 H new ATOM 0 HA SER A 723 19.899 -0.154 -0.219 1.00 27.81 H new ATOM 0 HB2 SER A 723 17.500 1.408 -0.532 1.00 35.27 H new ATOM 0 HB3 SER A 723 18.662 1.323 -1.569 1.00 35.27 H new ATOM 0 HG SER A 723 16.681 -0.129 -1.706 1.00 37.13 H new ATOM 181 N PHE A 724 20.483 2.191 0.613 1.00 28.02 N ATOM 182 CA PHE A 724 21.133 3.241 1.397 1.00 28.10 C ATOM 183 C PHE A 724 21.433 4.461 0.607 1.00 30.15 C ATOM 184 O PHE A 724 22.004 4.403 -0.487 1.00 28.83 O ATOM 185 CB PHE A 724 22.484 2.701 2.014 1.00 27.58 C ATOM 186 CG PHE A 724 22.286 1.502 2.922 1.00 28.40 C ATOM 187 CD1 PHE A 724 22.233 0.202 2.442 1.00 22.60 C ATOM 188 CD2 PHE A 724 22.161 1.664 4.330 1.00 25.60 C ATOM 189 CE1 PHE A 724 21.955 -0.910 3.265 1.00 24.87 C ATOM 190 CE2 PHE A 724 21.885 0.569 5.133 1.00 24.55 C ATOM 191 CZ PHE A 724 21.850 -0.741 4.615 1.00 26.26 C ATOM 0 H PHE A 724 20.752 2.158 -0.203 1.00 28.02 H new ATOM 0 HA PHE A 724 20.504 3.485 2.093 1.00 28.10 H new ATOM 0 HB2 PHE A 724 23.088 2.459 1.295 1.00 27.58 H new ATOM 0 HB3 PHE A 724 22.911 3.413 2.516 1.00 27.58 H new ATOM 0 HD1 PHE A 724 22.388 0.056 1.537 1.00 22.60 H new ATOM 0 HD2 PHE A 724 22.265 2.506 4.712 1.00 25.60 H new ATOM 0 HE1 PHE A 724 21.844 -1.753 2.889 1.00 24.87 H new ATOM 0 HE2 PHE A 724 21.718 0.702 6.038 1.00 24.55 H new ATOM 0 HZ PHE A 724 21.757 -1.474 5.180 1.00 26.26 H new ATOM 192 N HIS A 725 21.237 5.630 1.223 1.00 27.95 N ATOM 193 CA HIS A 725 21.999 6.761 0.773 1.00 26.95 C ATOM 194 C HIS A 725 23.485 6.527 0.954 1.00 34.50 C ATOM 195 O HIS A 725 23.917 5.750 1.853 1.00 28.81 O ATOM 196 CB HIS A 725 21.645 8.117 1.420 1.00 30.91 C ATOM 197 CG HIS A 725 20.234 8.504 1.199 1.00 31.65 C ATOM 198 ND1 HIS A 725 19.256 8.411 2.163 1.00 25.52 N ATOM 199 CD2 HIS A 725 19.627 9.043 0.117 1.00 33.86 C ATOM 200 CE1 HIS A 725 18.094 8.773 1.667 1.00 31.41 C ATOM 201 NE2 HIS A 725 18.299 9.181 0.428 1.00 31.64 N ATOM 0 H HIS A 725 20.691 5.773 1.872 1.00 27.95 H new ATOM 0 HA HIS A 725 21.756 6.831 -0.164 1.00 26.95 H new ATOM 0 HB2 HIS A 725 21.818 8.071 2.373 1.00 30.91 H new ATOM 0 HB3 HIS A 725 22.226 8.805 1.059 1.00 30.91 H new ATOM 0 HD2 HIS A 725 20.034 9.276 -0.686 1.00 33.86 H new ATOM 0 HE1 HIS A 725 17.276 8.747 2.108 1.00 31.41 H new ATOM 0 HE2 HIS A 725 17.694 9.486 -0.101 1.00 31.64 H new ATOM 202 N GLU A 726 24.262 7.183 0.106 1.00 32.03 N ATOM 203 CA GLU A 726 25.726 7.089 0.138 1.00 36.05 C ATOM 204 C GLU A 726 26.332 7.323 1.509 1.00 36.06 C ATOM 205 O GLU A 726 27.047 6.430 1.989 1.00 35.28 O ATOM 206 CB GLU A 726 26.358 8.080 -0.844 1.00 40.70 C ATOM 207 CG GLU A 726 27.888 8.156 -0.787 1.00 41.63 C ATOM 208 CD GLU A 726 28.486 8.893 -1.975 1.00 52.05 C ATOM 209 OE1 GLU A 726 27.702 9.498 -2.725 1.00 46.95 O ATOM 210 OE2 GLU A 726 29.722 8.839 -2.175 1.00 45.34 O ATOM 0 H GLU A 726 23.959 7.700 -0.511 1.00 32.03 H new ATOM 0 HA GLU A 726 25.922 6.174 -0.117 1.00 36.05 H new ATOM 0 HB2 GLU A 726 26.092 7.837 -1.745 1.00 40.70 H new ATOM 0 HB3 GLU A 726 25.996 8.963 -0.670 1.00 40.70 H new ATOM 0 HG2 GLU A 726 28.155 8.601 0.032 1.00 41.63 H new ATOM 0 HG3 GLU A 726 28.251 7.257 -0.753 1.00 41.63 H new ATOM 211 N HIS A 727 26.019 8.468 2.125 1.00 31.68 N ATOM 212 CA HIS A 727 26.555 8.817 3.445 1.00 31.97 C ATOM 213 C HIS A 727 25.680 8.381 4.656 1.00 23.15 C ATOM 214 O HIS A 727 26.070 8.652 5.794 1.00 27.92 O ATOM 215 CB HIS A 727 26.849 10.303 3.508 1.00 36.82 C ATOM 216 CG HIS A 727 27.872 10.739 2.510 1.00 42.40 C ATOM 217 ND1 HIS A 727 29.039 10.028 2.279 1.00 49.39 N ATOM 218 CD2 HIS A 727 27.922 11.814 1.698 1.00 52.47 C ATOM 219 CE1 HIS A 727 29.754 10.642 1.356 1.00 54.43 C ATOM 220 NE2 HIS A 727 29.101 11.731 0.989 1.00 57.49 N ATOM 0 H HIS A 727 25.493 9.061 1.791 1.00 31.68 H new ATOM 0 HA HIS A 727 27.372 8.302 3.534 1.00 31.97 H new ATOM 0 HB2 HIS A 727 26.028 10.797 3.358 1.00 36.82 H new ATOM 0 HB3 HIS A 727 27.157 10.529 4.399 1.00 36.82 H new ATOM 0 HD2 HIS A 727 27.282 12.485 1.629 1.00 52.47 H new ATOM 0 HE1 HIS A 727 30.574 10.358 1.022 1.00 54.43 H new ATOM 0 HE2 HIS A 727 29.369 12.298 0.401 1.00 57.49 H new ATOM 221 N CYS A 728 24.592 7.678 4.421 1.00 22.06 N ATOM 222 CA CYS A 728 23.775 7.058 5.488 1.00 20.94 C ATOM 223 C CYS A 728 24.465 5.698 5.855 1.00 22.01 C ATOM 224 O CYS A 728 24.562 5.340 7.051 1.00 21.75 O ATOM 225 CB CYS A 728 22.341 6.832 5.097 1.00 24.40 C ATOM 226 SG CYS A 728 21.386 8.444 5.243 1.00 27.81 S ATOM 0 H CYS A 728 24.288 7.536 3.629 1.00 22.06 H new ATOM 0 HA CYS A 728 23.736 7.664 6.244 1.00 20.94 H new ATOM 0 HB2 CYS A 728 22.293 6.498 4.188 1.00 24.40 H new ATOM 0 HB3 CYS A 728 21.943 6.157 5.668 1.00 24.40 H new ATOM 227 N HIS A 729 24.890 4.936 4.876 1.00 22.45 N ATOM 228 CA HIS A 729 25.690 3.720 5.122 1.00 21.98 C ATOM 229 C HIS A 729 26.934 4.112 5.848 1.00 19.71 C ATOM 230 O HIS A 729 27.509 5.174 5.663 1.00 21.37 O ATOM 231 CB HIS A 729 26.014 2.930 3.818 1.00 20.94 C ATOM 232 CG HIS A 729 26.387 1.499 4.062 1.00 20.17 C ATOM 233 ND1 HIS A 729 27.694 1.137 4.257 1.00 24.32 N ATOM 234 CD2 HIS A 729 25.638 0.414 4.244 1.00 23.21 C ATOM 235 CE1 HIS A 729 27.730 -0.161 4.473 1.00 23.03 C ATOM 236 NE2 HIS A 729 26.507 -0.618 4.506 1.00 23.61 N ATOM 0 H HIS A 729 24.733 5.093 4.045 1.00 22.45 H new ATOM 0 HA HIS A 729 25.165 3.111 5.665 1.00 21.98 H new ATOM 0 HB2 HIS A 729 25.243 2.960 3.230 1.00 20.94 H new ATOM 0 HB3 HIS A 729 26.742 3.372 3.353 1.00 20.94 H new ATOM 0 HD1 HIS A 729 28.372 1.665 4.241 1.00 24.32 H new ATOM 0 HD2 HIS A 729 24.710 0.364 4.202 1.00 23.21 H new ATOM 0 HE1 HIS A 729 28.501 -0.670 4.584 1.00 23.03 H new ATOM 237 N ILE A 730 27.423 3.187 6.757 1.00 19.24 N ATOM 238 CA ILE A 730 28.665 3.354 7.420 1.00 20.74 C ATOM 239 C ILE A 730 29.414 1.961 7.290 1.00 22.88 C ATOM 240 O ILE A 730 28.830 0.931 7.669 1.00 24.48 O ATOM 241 CB ILE A 730 28.550 3.651 8.919 1.00 19.72 C ATOM 242 CG1 ILE A 730 27.575 4.801 9.172 1.00 19.26 C ATOM 243 CG2 ILE A 730 29.914 3.836 9.533 1.00 19.29 C ATOM 244 CD1 ILE A 730 27.374 5.145 10.648 1.00 21.37 C ATOM 0 H ILE A 730 27.007 2.465 6.970 1.00 19.24 H new ATOM 0 HA ILE A 730 29.117 4.111 7.015 1.00 20.74 H new ATOM 0 HB ILE A 730 28.165 2.886 9.374 1.00 19.72 H new ATOM 0 HG12 ILE A 730 27.895 5.590 8.708 1.00 19.26 H new ATOM 0 HG13 ILE A 730 26.716 4.573 8.784 1.00 19.26 H new ATOM 0 HG21 ILE A 730 29.820 4.023 10.480 1.00 19.29 H new ATOM 0 HG22 ILE A 730 30.435 3.027 9.414 1.00 19.29 H new ATOM 0 HG23 ILE A 730 30.366 4.578 9.101 1.00 19.29 H new ATOM 0 HD11 ILE A 730 26.746 5.880 10.727 1.00 21.37 H new ATOM 0 HD12 ILE A 730 27.025 4.370 11.116 1.00 21.37 H new ATOM 0 HD13 ILE A 730 28.223 5.403 11.039 1.00 21.37 H new ATOM 245 N PRO A 731 30.611 2.008 6.759 1.00 26.95 N ATOM 246 CA PRO A 731 31.229 3.111 6.040 1.00 24.66 C ATOM 247 C PRO A 731 30.453 3.652 4.801 1.00 25.63 C ATOM 248 O PRO A 731 29.649 2.928 4.319 1.00 27.37 O ATOM 249 CB PRO A 731 32.511 2.451 5.453 1.00 34.16 C ATOM 250 CG PRO A 731 32.712 1.272 6.241 1.00 30.60 C ATOM 251 CD PRO A 731 31.376 0.760 6.623 1.00 32.52 C ATOM 0 HA PRO A 731 31.318 3.861 6.648 1.00 24.66 H new ATOM 0 HB2 PRO A 731 32.396 2.232 4.515 1.00 34.16 H new ATOM 0 HB3 PRO A 731 33.273 3.048 5.513 1.00 34.16 H new ATOM 0 HG2 PRO A 731 33.202 0.604 5.737 1.00 30.60 H new ATOM 0 HG3 PRO A 731 33.238 1.475 7.030 1.00 30.60 H new ATOM 0 HD2 PRO A 731 31.002 0.175 5.946 1.00 32.52 H new ATOM 0 HD3 PRO A 731 31.402 0.256 7.451 1.00 32.52 H new ATOM 252 N SER A 732 30.747 4.862 4.331 1.00 29.60 N ATOM 253 CA SER A 732 30.120 5.401 3.070 1.00 35.96 C ATOM 254 C SER A 732 30.207 4.387 1.931 1.00 39.22 C ATOM 255 O SER A 732 31.220 3.644 1.848 1.00 38.63 O ATOM 256 CB SER A 732 30.862 6.647 2.603 1.00 41.58 C ATOM 257 OG SER A 732 30.504 7.745 3.401 1.00 40.59 O ATOM 0 H SER A 732 31.301 5.401 4.709 1.00 29.60 H new ATOM 0 HA SER A 732 29.193 5.597 3.279 1.00 35.96 H new ATOM 0 HB2 SER A 732 31.820 6.500 2.652 1.00 41.58 H new ATOM 0 HB3 SER A 732 30.650 6.830 1.674 1.00 41.58 H new ATOM 0 HG SER A 732 30.094 8.310 2.933 1.00 40.59 H new ATOM 258 N VAL A 733 29.158 4.309 1.110 1.00 35.90 N ATOM 259 CA VAL A 733 28.994 3.198 0.152 1.00 38.13 C ATOM 260 C VAL A 733 30.199 3.248 -0.808 1.00 46.24 C ATOM 261 O VAL A 733 30.637 4.319 -1.235 1.00 43.16 O ATOM 262 CB VAL A 733 27.708 3.249 -0.657 1.00 37.68 C ATOM 263 CG1 VAL A 733 27.684 2.122 -1.718 1.00 36.97 C ATOM 264 CG2 VAL A 733 26.466 3.063 0.218 1.00 40.19 C ATOM 0 H VAL A 733 28.524 4.890 1.088 1.00 35.90 H new ATOM 0 HA VAL A 733 28.947 2.374 0.661 1.00 38.13 H new ATOM 0 HB VAL A 733 27.689 4.125 -1.072 1.00 37.68 H new ATOM 0 HG11 VAL A 733 26.857 2.171 -2.223 1.00 36.97 H new ATOM 0 HG12 VAL A 733 28.437 2.228 -2.320 1.00 36.97 H new ATOM 0 HG13 VAL A 733 27.742 1.260 -1.276 1.00 36.97 H new ATOM 0 HG21 VAL A 733 25.671 3.102 -0.336 1.00 40.19 H new ATOM 0 HG22 VAL A 733 26.508 2.201 0.661 1.00 40.19 H new ATOM 0 HG23 VAL A 733 26.431 3.767 0.884 1.00 40.19 H new ATOM 265 N GLU A 734 30.765 2.065 -1.056 1.00 55.15 N ATOM 266 CA GLU A 734 32.053 1.912 -1.753 1.00 63.20 C ATOM 267 C GLU A 734 31.849 2.207 -3.271 1.00 66.16 C ATOM 268 O GLU A 734 30.769 1.918 -3.823 1.00 56.35 O ATOM 269 CB GLU A 734 32.648 0.506 -1.454 1.00 63.54 C ATOM 270 CG GLU A 734 33.036 0.218 0.021 1.00 61.61 C ATOM 271 CD GLU A 734 31.879 0.024 1.049 1.00 71.87 C ATOM 272 OE1 GLU A 734 30.720 -0.213 0.681 1.00 67.36 O ATOM 273 OE2 GLU A 734 32.098 0.085 2.282 1.00 72.12 O ATOM 0 H GLU A 734 30.410 1.317 -0.822 1.00 55.15 H new ATOM 0 HA GLU A 734 32.706 2.552 -1.430 1.00 63.20 H new ATOM 0 HB2 GLU A 734 32.003 -0.162 -1.734 1.00 63.54 H new ATOM 0 HB3 GLU A 734 33.438 0.387 -2.005 1.00 63.54 H new ATOM 0 HG2 GLU A 734 33.585 -0.582 0.035 1.00 61.61 H new ATOM 0 HG3 GLU A 734 33.592 0.949 0.332 1.00 61.61 H new ATOM 274 N ALA A 735 32.857 2.834 -3.904 1.00 80.68 N ATOM 275 CA ALA A 735 32.760 3.372 -5.295 1.00 90.34 C ATOM 276 C ALA A 735 32.433 2.312 -6.352 1.00 98.84 C ATOM 277 O ALA A 735 31.591 2.530 -7.232 1.00109.19 O ATOM 278 CB ALA A 735 34.037 4.109 -5.692 1.00 86.65 C ATOM 0 H ALA A 735 33.626 2.964 -3.541 1.00 80.68 H new ATOM 0 HA ALA A 735 32.013 3.990 -5.274 1.00 90.34 H new ATOM 0 HB1 ALA A 735 33.948 4.447 -6.597 1.00 86.65 H new ATOM 0 HB2 ALA A 735 34.186 4.850 -5.084 1.00 86.65 H new ATOM 0 HB3 ALA A 735 34.790 3.499 -5.648 1.00 86.65 H new ATOM 279 N ASN A 736 33.089 1.163 -6.267 1.00 94.95 N ATOM 280 CA ASN A 736 32.823 0.094 -7.210 1.00101.93 C ATOM 281 C ASN A 736 32.304 -1.136 -6.437 1.00100.92 C ATOM 282 O ASN A 736 31.275 -1.004 -5.771 1.00107.36 O ATOM 283 CB ASN A 736 34.053 -0.109 -8.108 1.00104.61 C ATOM 284 CG ASN A 736 33.689 -0.692 -9.453 1.00 97.49 C ATOM 285 OD1 ASN A 736 33.394 -1.876 -9.544 1.00107.20 O ATOM 286 ND2 ASN A 736 33.685 0.141 -10.499 1.00 81.05 N ATOM 0 H ASN A 736 33.687 0.985 -5.675 1.00 94.95 H new ATOM 0 HA ASN A 736 32.111 0.305 -7.834 1.00101.93 H new ATOM 0 HB2 ASN A 736 34.501 0.742 -8.237 1.00104.61 H new ATOM 0 HB3 ASN A 736 34.683 -0.697 -7.663 1.00104.61 H new ATOM 0 HD21 ASN A 736 33.468 -0.149 -11.279 1.00 81.05 H new ATOM 0 HD22 ASN A 736 33.899 0.967 -10.392 1.00 81.05 H new ATOM 287 N LYS A 737 32.977 -2.292 -6.498 1.00 98.94 N ATOM 288 CA LYS A 737 32.557 -3.505 -5.784 1.00 99.56 C ATOM 289 C LYS A 737 31.223 -4.057 -6.342 1.00 97.32 C ATOM 290 O LYS A 737 30.137 -3.636 -5.943 1.00 92.60 O ATOM 291 CB LYS A 737 32.502 -3.271 -4.252 1.00 92.21 C ATOM 0 H LYS A 737 33.696 -2.394 -6.959 1.00 98.94 H new ATOM 0 HA LYS A 737 33.229 -4.187 -5.939 1.00 99.56 H new ATOM 292 N ASN A 738 31.319 -4.974 -7.302 1.00 94.09 N ATOM 293 CA ASN A 738 30.149 -5.711 -7.804 1.00 90.72 C ATOM 294 C ASN A 738 30.431 -7.200 -7.610 1.00 89.97 C ATOM 295 O ASN A 738 31.432 -7.672 -8.127 1.00100.72 O ATOM 296 CB ASN A 738 29.906 -5.407 -9.277 1.00 89.79 C ATOM 297 CG ASN A 738 30.026 -3.922 -9.595 1.00 87.86 C ATOM 298 OD1 ASN A 738 31.009 -3.275 -9.239 1.00 85.11 O ATOM 299 ND2 ASN A 738 29.027 -3.381 -10.271 1.00 87.72 N ATOM 0 H ASN A 738 32.060 -5.189 -7.683 1.00 94.09 H new ATOM 0 HA ASN A 738 29.352 -5.445 -7.320 1.00 90.72 H new ATOM 0 HB2 ASN A 738 30.543 -5.902 -9.816 1.00 89.79 H new ATOM 0 HB3 ASN A 738 29.022 -5.717 -9.526 1.00 89.79 H new ATOM 0 HD21 ASN A 738 29.050 -2.547 -10.478 1.00 87.72 H new ATOM 0 HD22 ASN A 738 28.354 -3.864 -10.504 1.00 87.72 H new ATOM 300 N PRO A 739 29.639 -7.939 -6.831 1.00 78.33 N ATOM 301 CA PRO A 739 28.542 -7.416 -6.031 1.00 75.18 C ATOM 302 C PRO A 739 28.989 -6.599 -4.773 1.00 67.73 C ATOM 303 O PRO A 739 30.154 -6.676 -4.328 1.00 61.14 O ATOM 304 CB PRO A 739 27.811 -8.695 -5.618 1.00 78.23 C ATOM 305 CG PRO A 739 28.912 -9.718 -5.496 1.00 75.70 C ATOM 306 CD PRO A 739 30.053 -9.276 -6.362 1.00 71.35 C ATOM 0 HA PRO A 739 28.009 -6.777 -6.528 1.00 75.18 H new ATOM 0 HB2 PRO A 739 27.338 -8.579 -4.779 1.00 78.23 H new ATOM 0 HB3 PRO A 739 27.153 -8.958 -6.280 1.00 78.23 H new ATOM 0 HG2 PRO A 739 29.199 -9.799 -4.573 1.00 75.70 H new ATOM 0 HG3 PRO A 739 28.595 -10.592 -5.773 1.00 75.70 H new ATOM 0 HD2 PRO A 739 30.884 -9.237 -5.864 1.00 71.35 H new ATOM 0 HD3 PRO A 739 30.195 -9.886 -7.103 1.00 71.35 H new ATOM 307 N TRP A 740 28.046 -5.823 -4.231 1.00 54.40 N ATOM 308 CA TRP A 740 28.248 -5.059 -2.985 1.00 49.94 C ATOM 309 C TRP A 740 27.375 -5.612 -1.894 1.00 37.50 C ATOM 310 O TRP A 740 26.217 -5.959 -2.105 1.00 42.04 O ATOM 311 CB TRP A 740 27.963 -3.585 -3.190 1.00 50.28 C ATOM 312 CG TRP A 740 28.125 -2.744 -1.934 1.00 42.71 C ATOM 313 CD1 TRP A 740 29.271 -2.377 -1.340 1.00 44.45 C ATOM 314 CD2 TRP A 740 27.061 -2.146 -1.205 1.00 40.32 C ATOM 315 NE1 TRP A 740 29.002 -1.571 -0.250 1.00 41.84 N ATOM 316 CE2 TRP A 740 27.646 -1.416 -0.143 1.00 41.63 C ATOM 317 CE3 TRP A 740 25.668 -2.170 -1.341 1.00 37.93 C ATOM 318 CZ2 TRP A 740 26.887 -0.749 0.809 1.00 35.46 C ATOM 319 CZ3 TRP A 740 24.881 -1.442 -0.422 1.00 40.70 C ATOM 320 CH2 TRP A 740 25.513 -0.709 0.621 1.00 39.75 C ATOM 0 H TRP A 740 27.265 -5.722 -4.575 1.00 54.40 H new ATOM 0 HA TRP A 740 29.178 -5.148 -2.724 1.00 49.94 H new ATOM 0 HB2 TRP A 740 28.557 -3.243 -3.876 1.00 50.28 H new ATOM 0 HB3 TRP A 740 27.057 -3.483 -3.522 1.00 50.28 H new ATOM 0 HD1 TRP A 740 30.121 -2.628 -1.621 1.00 44.45 H new ATOM 0 HE1 TRP A 740 29.589 -1.224 0.274 1.00 41.84 H new ATOM 0 HE3 TRP A 740 25.268 -2.657 -2.025 1.00 37.93 H new ATOM 0 HZ2 TRP A 740 27.285 -0.344 1.546 1.00 35.46 H new ATOM 0 HZ3 TRP A 740 23.954 -1.442 -0.498 1.00 40.70 H new ATOM 0 HH2 TRP A 740 24.992 -0.190 1.191 1.00 39.75 H new ATOM 321 N SER A 741 27.950 -5.772 -0.709 1.00 38.74 N ATOM 322 CA SER A 741 27.187 -6.282 0.444 1.00 34.62 C ATOM 323 C SER A 741 27.252 -5.172 1.563 1.00 26.77 C ATOM 324 O SER A 741 28.316 -4.620 1.792 1.00 29.29 O ATOM 325 CB SER A 741 27.764 -7.607 0.935 1.00 41.00 C ATOM 326 OG SER A 741 27.169 -8.743 0.281 1.00 41.50 O ATOM 0 H SER A 741 28.775 -5.595 -0.544 1.00 38.74 H new ATOM 0 HA SER A 741 26.265 -6.461 0.199 1.00 34.62 H new ATOM 0 HB2 SER A 741 28.722 -7.615 0.783 1.00 41.00 H new ATOM 0 HB3 SER A 741 27.628 -7.681 1.893 1.00 41.00 H new ATOM 0 HG SER A 741 26.337 -8.729 0.397 1.00 41.50 H new ATOM 327 N CYS A 742 26.051 -4.816 2.028 1.00 30.07 N ATOM 328 CA CYS A 742 25.845 -3.826 3.109 1.00 27.77 C ATOM 329 C CYS A 742 26.389 -4.370 4.431 1.00 28.20 C ATOM 330 O CYS A 742 26.569 -5.560 4.653 1.00 26.42 O ATOM 331 CB CYS A 742 24.278 -3.545 3.270 1.00 23.59 C ATOM 332 SG CYS A 742 23.304 -4.598 4.127 1.00 26.37 S ATOM 0 H CYS A 742 25.317 -5.145 1.723 1.00 30.07 H new ATOM 0 HA CYS A 742 26.313 -3.007 2.883 1.00 27.77 H new ATOM 0 HB2 CYS A 742 24.186 -2.672 3.682 1.00 23.59 H new ATOM 0 HB3 CYS A 742 23.907 -3.477 2.376 1.00 23.59 H new ATOM 333 N ILE A 743 26.583 -3.438 5.372 1.00 24.89 N ATOM 334 CA ILE A 743 27.016 -3.756 6.731 1.00 24.05 C ATOM 335 C ILE A 743 26.189 -4.790 7.455 1.00 24.11 C ATOM 336 O ILE A 743 26.703 -5.589 8.196 1.00 23.68 O ATOM 337 CB ILE A 743 27.194 -2.454 7.502 1.00 22.92 C ATOM 338 CG1 ILE A 743 27.973 -2.775 8.832 1.00 23.74 C ATOM 339 CG2 ILE A 743 25.852 -1.775 7.697 1.00 21.83 C ATOM 340 CD1 ILE A 743 28.679 -1.627 9.385 1.00 28.52 C ATOM 0 H ILE A 743 26.465 -2.597 5.234 1.00 24.89 H new ATOM 0 HA ILE A 743 27.870 -4.210 6.665 1.00 24.05 H new ATOM 0 HB ILE A 743 27.728 -1.811 7.010 1.00 22.92 H new ATOM 0 HG12 ILE A 743 27.346 -3.109 9.493 1.00 23.74 H new ATOM 0 HG13 ILE A 743 28.611 -3.486 8.661 1.00 23.74 H new ATOM 0 HG21 ILE A 743 25.976 -0.948 8.188 1.00 21.83 H new ATOM 0 HG22 ILE A 743 25.459 -1.581 6.832 1.00 21.83 H new ATOM 0 HG23 ILE A 743 25.262 -2.361 8.196 1.00 21.83 H new ATOM 0 HD11 ILE A 743 29.136 -1.890 10.199 1.00 28.52 H new ATOM 0 HD12 ILE A 743 29.328 -1.304 8.740 1.00 28.52 H new ATOM 0 HD13 ILE A 743 28.044 -0.922 9.584 1.00 28.52 H new ATOM 341 N PHE A 744 24.851 -4.786 7.287 1.00 26.45 N ATOM 342 CA PHE A 744 24.015 -5.812 7.869 1.00 23.73 C ATOM 343 C PHE A 744 24.430 -7.215 7.410 1.00 25.38 C ATOM 344 O PHE A 744 24.549 -8.148 8.214 1.00 25.11 O ATOM 345 CB PHE A 744 22.512 -5.602 7.528 1.00 27.42 C ATOM 346 CG PHE A 744 21.910 -4.388 8.157 1.00 23.94 C ATOM 347 CD1 PHE A 744 22.057 -3.175 7.586 1.00 21.40 C ATOM 348 CD2 PHE A 744 21.122 -4.522 9.257 1.00 23.35 C ATOM 349 CE1 PHE A 744 21.428 -2.040 8.186 1.00 21.69 C ATOM 350 CE2 PHE A 744 20.465 -3.441 9.853 1.00 23.03 C ATOM 351 CZ PHE A 744 20.639 -2.193 9.309 1.00 23.45 C ATOM 0 H PHE A 744 24.424 -4.191 6.837 1.00 26.45 H new ATOM 0 HA PHE A 744 24.137 -5.739 8.828 1.00 23.73 H new ATOM 0 HB2 PHE A 744 22.414 -5.538 6.565 1.00 27.42 H new ATOM 0 HB3 PHE A 744 22.013 -6.384 7.813 1.00 27.42 H new ATOM 0 HD1 PHE A 744 22.562 -3.078 6.811 1.00 21.40 H new ATOM 0 HD2 PHE A 744 21.016 -5.368 9.628 1.00 23.35 H new ATOM 0 HE1 PHE A 744 21.551 -1.195 7.818 1.00 21.69 H new ATOM 0 HE2 PHE A 744 19.924 -3.565 10.599 1.00 23.03 H new ATOM 0 HZ PHE A 744 20.227 -1.454 9.695 1.00 23.45 H new ATOM 352 N CYS A 745 24.727 -7.274 6.117 1.00 28.41 N ATOM 353 CA CYS A 745 25.117 -8.579 5.490 1.00 28.67 C ATOM 354 C CYS A 745 26.498 -8.983 6.000 1.00 27.64 C ATOM 355 O CYS A 745 26.702 -10.176 6.360 1.00 28.70 O ATOM 356 CB CYS A 745 25.094 -8.502 3.960 1.00 27.19 C ATOM 357 SG CYS A 745 23.420 -8.538 3.308 1.00 31.80 S ATOM 0 H CYS A 745 24.716 -6.601 5.581 1.00 28.41 H new ATOM 0 HA CYS A 745 24.469 -9.254 5.744 1.00 28.67 H new ATOM 0 HB2 CYS A 745 25.535 -7.688 3.671 1.00 27.19 H new ATOM 0 HB3 CYS A 745 25.599 -9.244 3.592 1.00 27.19 H new ATOM 358 N ARG A 746 27.399 -8.003 6.113 1.00 25.85 N ATOM 359 CA ARG A 746 28.767 -8.286 6.610 1.00 25.05 C ATOM 360 C ARG A 746 28.778 -8.724 8.041 1.00 26.74 C ATOM 361 O ARG A 746 29.528 -9.637 8.369 1.00 26.41 O ATOM 362 CB ARG A 746 29.716 -7.168 6.368 1.00 25.30 C ATOM 363 CG ARG A 746 29.781 -6.870 4.889 1.00 29.24 C ATOM 364 CD ARG A 746 30.423 -5.547 4.653 1.00 32.52 C ATOM 365 NE ARG A 746 31.806 -5.565 5.045 1.00 37.30 N ATOM 366 CZ ARG A 746 32.575 -4.480 5.149 1.00 46.63 C ATOM 367 NH1 ARG A 746 32.098 -3.248 4.812 1.00 50.85 N ATOM 368 NH2 ARG A 746 33.841 -4.628 5.565 1.00 46.43 N ATOM 0 H ARG A 746 27.250 -7.180 5.913 1.00 25.85 H new ATOM 0 HA ARG A 746 29.086 -9.035 6.082 1.00 25.05 H new ATOM 0 HB2 ARG A 746 29.431 -6.379 6.854 1.00 25.30 H new ATOM 0 HB3 ARG A 746 30.597 -7.402 6.699 1.00 25.30 H new ATOM 0 HG2 ARG A 746 30.283 -7.565 4.435 1.00 29.24 H new ATOM 0 HG3 ARG A 746 28.887 -6.874 4.513 1.00 29.24 H new ATOM 0 HD2 ARG A 746 30.353 -5.313 3.714 1.00 32.52 H new ATOM 0 HD3 ARG A 746 29.951 -4.862 5.152 1.00 32.52 H new ATOM 0 HE ARG A 746 32.162 -6.327 5.225 1.00 37.30 H new ATOM 0 HH11 ARG A 746 31.291 -3.162 4.528 1.00 50.85 H new ATOM 0 HH12 ARG A 746 32.604 -2.557 4.884 1.00 50.85 H new ATOM 0 HH21 ARG A 746 34.141 -5.410 5.758 1.00 46.43 H new ATOM 0 HH22 ARG A 746 34.353 -3.941 5.639 1.00 46.43 H new ATOM 369 N ILE A 747 27.935 -8.133 8.898 1.00 23.55 N ATOM 370 CA ILE A 747 27.807 -8.562 10.287 1.00 24.33 C ATOM 371 C ILE A 747 27.262 -10.001 10.394 1.00 24.42 C ATOM 372 O ILE A 747 27.712 -10.812 11.179 1.00 29.38 O ATOM 373 CB ILE A 747 26.973 -7.554 11.098 1.00 26.49 C ATOM 374 CG1 ILE A 747 27.753 -6.264 11.216 1.00 26.03 C ATOM 375 CG2 ILE A 747 26.580 -8.121 12.446 1.00 30.03 C ATOM 376 CD1 ILE A 747 28.898 -6.197 12.221 1.00 25.46 C ATOM 0 H ILE A 747 27.425 -7.474 8.686 1.00 23.55 H new ATOM 0 HA ILE A 747 28.695 -8.579 10.678 1.00 24.33 H new ATOM 0 HB ILE A 747 26.140 -7.370 10.637 1.00 26.49 H new ATOM 0 HG12 ILE A 747 28.116 -6.057 10.341 1.00 26.03 H new ATOM 0 HG13 ILE A 747 27.125 -5.558 11.436 1.00 26.03 H new ATOM 0 HG21 ILE A 747 26.057 -7.465 12.933 1.00 30.03 H new ATOM 0 HG22 ILE A 747 26.052 -8.925 12.318 1.00 30.03 H new ATOM 0 HG23 ILE A 747 27.379 -8.337 12.952 1.00 30.03 H new ATOM 0 HD11 ILE A 747 29.306 -5.317 12.189 1.00 25.46 H new ATOM 0 HD12 ILE A 747 28.556 -6.362 13.113 1.00 25.46 H new ATOM 0 HD13 ILE A 747 29.562 -6.869 12.001 1.00 25.46 H new ATOM 377 N LYS A 748 26.263 -10.283 9.588 1.00 26.53 N ATOM 378 CA LYS A 748 25.648 -11.629 9.532 1.00 28.51 C ATOM 379 C LYS A 748 26.707 -12.692 9.137 1.00 28.35 C ATOM 380 O LYS A 748 26.799 -13.740 9.766 1.00 30.31 O ATOM 381 CB LYS A 748 24.464 -11.620 8.574 1.00 35.69 C ATOM 382 CG LYS A 748 23.730 -12.963 8.622 1.00 44.09 C ATOM 383 CD LYS A 748 22.875 -13.233 7.380 1.00 55.65 C ATOM 384 CE LYS A 748 21.761 -12.216 7.246 1.00 66.03 C ATOM 385 NZ LYS A 748 20.978 -11.961 8.499 1.00 74.66 N ATOM 0 H LYS A 748 25.909 -9.712 9.051 1.00 26.53 H new ATOM 0 HA LYS A 748 25.315 -11.868 10.411 1.00 28.51 H new ATOM 0 HB2 LYS A 748 23.855 -10.903 8.810 1.00 35.69 H new ATOM 0 HB3 LYS A 748 24.772 -11.445 7.671 1.00 35.69 H new ATOM 0 HG2 LYS A 748 24.380 -13.676 8.720 1.00 44.09 H new ATOM 0 HG3 LYS A 748 23.163 -12.986 9.408 1.00 44.09 H new ATOM 0 HD2 LYS A 748 23.435 -13.209 6.588 1.00 55.65 H new ATOM 0 HD3 LYS A 748 22.497 -14.125 7.433 1.00 55.65 H new ATOM 0 HE2 LYS A 748 22.143 -11.377 6.943 1.00 66.03 H new ATOM 0 HE3 LYS A 748 21.150 -12.516 6.555 1.00 66.03 H new ATOM 0 HZ1 LYS A 748 20.285 -11.434 8.314 1.00 74.66 H new ATOM 0 HZ2 LYS A 748 20.683 -12.734 8.828 1.00 74.66 H new ATOM 0 HZ3 LYS A 748 21.500 -11.564 9.100 1.00 74.66 H new ATOM 386 N THR A 749 27.550 -12.368 8.185 1.00 29.43 N ATOM 387 CA THR A 749 28.636 -13.324 7.758 1.00 27.88 C ATOM 388 C THR A 749 29.595 -13.677 8.894 1.00 36.25 C ATOM 389 O THR A 749 30.050 -14.860 9.021 1.00 33.93 O ATOM 390 CB THR A 749 29.376 -12.729 6.559 1.00 33.87 C ATOM 391 OG1 THR A 749 28.456 -12.652 5.491 1.00 37.79 O ATOM 392 CG2 THR A 749 30.586 -13.575 6.145 1.00 37.01 C ATOM 0 H THR A 749 27.539 -11.621 7.760 1.00 29.43 H new ATOM 0 HA THR A 749 28.221 -14.162 7.501 1.00 27.88 H new ATOM 0 HB THR A 749 29.718 -11.854 6.799 1.00 33.87 H new ATOM 0 HG1 THR A 749 27.927 -12.013 5.622 1.00 37.79 H new ATOM 0 HG21 THR A 749 31.024 -13.163 5.384 1.00 37.01 H new ATOM 0 HG22 THR A 749 31.210 -13.632 6.885 1.00 37.01 H new ATOM 0 HG23 THR A 749 30.290 -14.467 5.903 1.00 37.01 H new ATOM 393 N ILE A 750 29.955 -12.673 9.709 1.00 35.40 N ATOM 394 CA ILE A 750 30.862 -12.879 10.868 1.00 40.02 C ATOM 395 C ILE A 750 30.275 -13.907 11.780 1.00 39.80 C ATOM 396 O ILE A 750 30.992 -14.835 12.187 1.00 39.47 O ATOM 397 CB ILE A 750 31.093 -11.633 11.754 1.00 42.56 C ATOM 398 CG1 ILE A 750 31.725 -10.463 11.011 1.00 46.10 C ATOM 399 CG2 ILE A 750 31.945 -11.973 12.985 1.00 42.14 C ATOM 400 CD1 ILE A 750 32.804 -10.836 10.058 1.00 49.14 C ATOM 0 H ILE A 750 29.687 -11.862 9.612 1.00 35.40 H new ATOM 0 HA ILE A 750 31.708 -13.133 10.468 1.00 40.02 H new ATOM 0 HB ILE A 750 30.207 -11.353 12.034 1.00 42.56 H new ATOM 0 HG12 ILE A 750 31.030 -9.992 10.525 1.00 46.10 H new ATOM 0 HG13 ILE A 750 32.087 -9.841 11.662 1.00 46.10 H new ATOM 0 HG21 ILE A 750 32.073 -11.175 13.521 1.00 42.14 H new ATOM 0 HG22 ILE A 750 31.493 -12.648 13.515 1.00 42.14 H new ATOM 0 HG23 ILE A 750 32.808 -12.311 12.698 1.00 42.14 H new ATOM 0 HD11 ILE A 750 33.149 -10.037 9.631 1.00 49.14 H new ATOM 0 HD12 ILE A 750 33.520 -11.281 10.538 1.00 49.14 H new ATOM 0 HD13 ILE A 750 32.447 -11.434 9.383 1.00 49.14 H new ATOM 401 N GLN A 751 29.017 -13.718 12.170 1.00 37.61 N ATOM 402 CA GLN A 751 28.335 -14.676 13.019 1.00 42.50 C ATOM 403 C GLN A 751 28.257 -16.074 12.414 1.00 43.02 C ATOM 404 O GLN A 751 28.379 -17.059 13.150 1.00 55.90 O ATOM 405 CB GLN A 751 26.918 -14.242 13.329 1.00 46.53 C ATOM 406 CG GLN A 751 26.796 -13.041 14.213 1.00 53.79 C ATOM 407 CD GLN A 751 25.378 -12.489 14.222 1.00 59.86 C ATOM 408 OE1 GLN A 751 24.461 -13.068 13.625 1.00 64.24 O ATOM 409 NE2 GLN A 751 25.192 -11.375 14.894 1.00 64.03 N ATOM 0 H GLN A 751 28.542 -13.036 11.950 1.00 37.61 H new ATOM 0 HA GLN A 751 28.872 -14.708 13.826 1.00 42.50 H new ATOM 0 HB2 GLN A 751 26.462 -14.058 12.493 1.00 46.53 H new ATOM 0 HB3 GLN A 751 26.453 -14.983 13.749 1.00 46.53 H new ATOM 0 HG2 GLN A 751 27.057 -13.277 15.117 1.00 53.79 H new ATOM 0 HG3 GLN A 751 27.409 -12.353 13.911 1.00 53.79 H new ATOM 0 HE21 GLN A 751 25.853 -11.000 15.297 1.00 64.03 H new ATOM 0 HE22 GLN A 751 24.409 -11.021 14.931 1.00 64.03 H new ATOM 410 N GLU A 752 28.049 -16.164 11.096 1.00 37.73 N ATOM 411 CA GLU A 752 27.850 -17.441 10.424 1.00 39.39 C ATOM 412 C GLU A 752 29.172 -18.216 10.324 1.00 38.84 C ATOM 413 O GLU A 752 29.243 -19.438 10.523 1.00 49.07 O ATOM 414 CB GLU A 752 27.251 -17.207 9.058 1.00 38.85 C ATOM 415 CG GLU A 752 25.773 -16.895 9.145 1.00 42.25 C ATOM 416 CD GLU A 752 25.161 -16.543 7.798 1.00 51.73 C ATOM 417 OE1 GLU A 752 25.902 -16.464 6.783 1.00 56.62 O ATOM 418 OE2 GLU A 752 23.914 -16.333 7.775 1.00 59.15 O ATOM 0 H GLU A 752 28.020 -15.483 10.571 1.00 37.73 H new ATOM 0 HA GLU A 752 27.235 -17.981 10.945 1.00 39.39 H new ATOM 0 HB2 GLU A 752 27.712 -16.473 8.623 1.00 38.85 H new ATOM 0 HB3 GLU A 752 27.385 -17.993 8.506 1.00 38.85 H new ATOM 0 HG2 GLU A 752 25.307 -17.660 9.516 1.00 42.25 H new ATOM 0 HG3 GLU A 752 25.639 -16.156 9.759 1.00 42.25 H new ATOM 419 N ARG A 753 30.237 -17.503 10.091 1.00 35.25 N ATOM 420 CA ARG A 753 31.589 -18.073 10.092 1.00 37.11 C ATOM 421 C ARG A 753 32.067 -18.520 11.455 1.00 40.61 C ATOM 422 O ARG A 753 32.897 -19.458 11.496 1.00 48.28 O ATOM 423 CB ARG A 753 32.613 -17.131 9.485 1.00 36.97 C ATOM 424 CG ARG A 753 32.466 -16.983 7.966 1.00 47.94 C ATOM 425 CD ARG A 753 33.528 -16.083 7.312 1.00 50.20 C ATOM 426 NE ARG A 753 33.528 -16.329 5.877 1.00 54.27 N ATOM 427 CZ ARG A 753 33.834 -15.447 4.933 1.00 63.18 C ATOM 428 NH1 ARG A 753 34.197 -14.192 5.228 1.00 63.39 N ATOM 429 NH2 ARG A 753 33.780 -15.839 3.661 1.00 66.79 N ATOM 0 H ARG A 753 30.215 -16.660 9.923 1.00 35.25 H new ATOM 0 HA ARG A 753 31.512 -18.864 9.536 1.00 37.11 H new ATOM 0 HB2 ARG A 753 32.528 -16.258 9.900 1.00 36.97 H new ATOM 0 HB3 ARG A 753 33.504 -17.456 9.688 1.00 36.97 H new ATOM 0 HG2 ARG A 753 32.509 -17.863 7.560 1.00 47.94 H new ATOM 0 HG3 ARG A 753 31.587 -16.623 7.770 1.00 47.94 H new ATOM 0 HD2 ARG A 753 33.336 -15.150 7.493 1.00 50.20 H new ATOM 0 HD3 ARG A 753 34.404 -16.270 7.685 1.00 50.20 H new ATOM 0 HE ARG A 753 33.309 -17.119 5.617 1.00 54.27 H new ATOM 0 HH11 ARG A 753 34.237 -13.938 6.049 1.00 63.39 H new ATOM 0 HH12 ARG A 753 34.390 -13.641 4.597 1.00 63.39 H new ATOM 0 HH21 ARG A 753 33.551 -16.645 3.469 1.00 66.79 H new ATOM 0 HH22 ARG A 753 33.974 -15.286 3.032 1.00 66.79 H new ATOM 430 N CYS A 754 31.587 -17.887 12.553 1.00 36.14 N ATOM 431 CA ACYS A 754 31.963 -18.247 13.909 0.55 35.97 C ATOM 432 CA BCYS A 754 32.017 -18.206 13.927 0.45 34.32 C ATOM 433 C CYS A 754 30.776 -18.196 14.844 1.00 35.35 C ATOM 434 O CYS A 754 30.577 -17.238 15.582 1.00 32.83 O ATOM 435 CB ACYS A 754 33.083 -17.367 14.414 0.55 37.07 C ATOM 436 CB BCYS A 754 33.100 -17.192 14.414 0.45 33.53 C ATOM 437 SG ACYS A 754 34.605 -17.972 13.703 0.55 42.51 S ATOM 438 SG BCYS A 754 34.087 -17.510 15.931 0.45 32.74 S ATOM 0 H ACYS A 754 31.030 -17.233 12.512 0.55 36.14 H new ATOM 0 H BCYS A 754 31.001 -17.259 12.513 0.45 36.14 H new ATOM 0 HA ACYS A 754 32.284 -19.162 13.889 0.55 34.32 H new ATOM 0 HA BCYS A 754 32.423 -19.087 13.953 0.45 34.32 H new ATOM 0 HB2ACYS A 754 32.932 -16.443 14.160 0.55 33.53 H new ATOM 0 HB2BCYS A 754 33.730 -17.078 13.685 0.45 33.53 H new ATOM 0 HB3ACYS A 754 33.126 -17.392 15.383 0.55 33.53 H new ATOM 0 HB3BCYS A 754 32.654 -16.340 14.540 0.45 33.53 H new ATOM 0 HG BCYS A 754 34.440 -18.657 15.946 0.45 32.74 H new ATOM 439 N PRO A 755 29.942 -19.290 14.839 1.00 33.29 N ATOM 440 CA PRO A 755 28.696 -19.250 15.592 1.00 31.93 C ATOM 441 C PRO A 755 28.908 -19.040 17.091 1.00 29.94 C ATOM 442 O PRO A 755 28.037 -18.415 17.749 1.00 33.12 O ATOM 443 CB PRO A 755 28.029 -20.631 15.292 1.00 38.56 C ATOM 444 CG PRO A 755 28.787 -21.153 14.078 1.00 34.38 C ATOM 445 CD PRO A 755 30.139 -20.583 14.120 1.00 35.41 C ATOM 0 HA PRO A 755 28.144 -18.497 15.328 1.00 31.93 H new ATOM 0 HB2 PRO A 755 28.109 -21.235 16.047 1.00 38.56 H new ATOM 0 HB3 PRO A 755 27.082 -20.535 15.105 1.00 38.56 H new ATOM 0 HG2 PRO A 755 28.825 -22.122 14.091 1.00 34.38 H new ATOM 0 HG3 PRO A 755 28.335 -20.898 13.259 1.00 34.38 H new ATOM 0 HD2 PRO A 755 30.758 -21.163 14.590 1.00 35.41 H new ATOM 0 HD3 PRO A 755 30.498 -20.447 13.229 1.00 35.41 H new ATOM 446 N GLU A 756 30.093 -19.426 17.595 1.00 27.92 N ATOM 447 CA GLU A 756 30.392 -19.274 19.029 1.00 29.34 C ATOM 448 C GLU A 756 30.646 -17.830 19.442 1.00 31.88 C ATOM 449 O GLU A 756 30.630 -17.507 20.632 1.00 29.56 O ATOM 450 CB GLU A 756 31.555 -20.195 19.410 1.00 33.84 C ATOM 451 CG GLU A 756 32.902 -19.751 18.908 1.00 43.52 C ATOM 452 CD GLU A 756 33.256 -20.164 17.451 1.00 52.94 C ATOM 453 OE1 GLU A 756 32.374 -20.481 16.573 1.00 47.82 O ATOM 454 OE2 GLU A 756 34.482 -20.129 17.162 1.00 63.67 O ATOM 0 H GLU A 756 30.728 -19.773 17.130 1.00 27.92 H new ATOM 0 HA GLU A 756 29.602 -19.540 19.525 1.00 29.34 H new ATOM 0 HB2 GLU A 756 31.591 -20.266 20.377 1.00 33.84 H new ATOM 0 HB3 GLU A 756 31.373 -21.084 19.067 1.00 33.84 H new ATOM 0 HG2 GLU A 756 32.949 -18.784 18.972 1.00 43.52 H new ATOM 0 HG3 GLU A 756 33.582 -20.108 19.501 1.00 43.52 H new ATOM 455 N SER A 757 30.872 -16.964 18.428 1.00 31.56 N ATOM 456 CA SER A 757 30.971 -15.496 18.621 1.00 29.66 C ATOM 457 C SER A 757 29.693 -14.939 19.276 1.00 29.37 C ATOM 458 O SER A 757 29.720 -13.844 19.869 1.00 27.22 O ATOM 459 CB SER A 757 31.313 -14.815 17.252 1.00 30.04 C ATOM 460 OG SER A 757 30.162 -14.829 16.387 1.00 34.20 O ATOM 0 H SER A 757 30.972 -17.212 17.611 1.00 31.56 H new ATOM 0 HA SER A 757 31.692 -15.291 19.236 1.00 29.66 H new ATOM 0 HB2 SER A 757 31.602 -13.901 17.401 1.00 30.04 H new ATOM 0 HB3 SER A 757 32.051 -15.280 16.827 1.00 30.04 H new ATOM 0 HG SER A 757 30.062 -15.599 16.065 1.00 34.20 H new ATOM 461 N GLN A 758 28.583 -15.692 19.238 1.00 27.25 N ATOM 462 CA GLN A 758 27.338 -15.296 19.898 1.00 27.12 C ATOM 463 C GLN A 758 27.180 -15.736 21.353 1.00 24.37 C ATOM 464 O GLN A 758 26.208 -15.384 21.973 1.00 24.19 O ATOM 465 CB GLN A 758 26.124 -15.775 19.119 1.00 33.94 C ATOM 466 CG GLN A 758 26.012 -15.096 17.751 1.00 38.73 C ATOM 467 CD GLN A 758 25.152 -15.946 16.843 1.00 54.31 C ATOM 468 OE1 GLN A 758 25.637 -16.946 16.260 1.00 67.50 O ATOM 469 NE2 GLN A 758 23.855 -15.630 16.784 1.00 55.34 N ATOM 0 H GLN A 758 28.536 -16.446 18.827 1.00 27.25 H new ATOM 0 HA GLN A 758 27.395 -14.328 19.911 1.00 27.12 H new ATOM 0 HB2 GLN A 758 26.177 -16.736 18.998 1.00 33.94 H new ATOM 0 HB3 GLN A 758 25.321 -15.598 19.633 1.00 33.94 H new ATOM 0 HG2 GLN A 758 25.624 -14.212 17.847 1.00 38.73 H new ATOM 0 HG3 GLN A 758 26.893 -14.979 17.363 1.00 38.73 H new ATOM 0 HE21 GLN A 758 23.562 -14.936 17.198 1.00 55.34 H new ATOM 0 HE22 GLN A 758 23.313 -16.121 16.332 1.00 55.34 H new ATOM 470 N SER A 759 28.086 -16.544 21.836 1.00 22.66 N ATOM 471 CA SER A 759 28.064 -16.852 23.277 1.00 21.80 C ATOM 472 C SER A 759 28.330 -15.597 24.111 1.00 24.20 C ATOM 473 O SER A 759 29.043 -14.678 23.626 1.00 25.51 O ATOM 474 CB SER A 759 29.094 -17.960 23.654 1.00 23.45 C ATOM 475 OG SER A 759 28.664 -19.173 23.017 1.00 23.61 O ATOM 0 H SER A 759 28.710 -16.923 21.381 1.00 22.66 H new ATOM 0 HA SER A 759 27.175 -17.185 23.477 1.00 21.80 H new ATOM 0 HB2 SER A 759 29.985 -17.715 23.358 1.00 23.45 H new ATOM 0 HB3 SER A 759 29.137 -18.075 24.616 1.00 23.45 H new ATOM 0 HG SER A 759 29.250 -19.766 23.120 1.00 23.61 H new ATOM 476 N GLY A 760 27.846 -15.568 25.333 1.00 21.72 N ATOM 477 CA GLY A 760 27.929 -14.350 26.149 1.00 24.59 C ATOM 478 C GLY A 760 29.316 -13.921 26.507 1.00 24.53 C ATOM 479 O GLY A 760 30.219 -14.780 26.789 1.00 25.66 O ATOM 0 H GLY A 760 27.464 -16.235 25.719 1.00 21.72 H new ATOM 0 HA2 GLY A 760 27.495 -13.626 25.671 1.00 24.59 H new ATOM 0 HA3 GLY A 760 27.427 -14.490 26.967 1.00 24.59 H new ATOM 480 N HIS A 761 29.531 -12.576 26.528 1.00 21.82 N ATOM 481 CA HIS A 761 30.801 -11.963 26.844 1.00 22.18 C ATOM 482 C HIS A 761 30.640 -10.983 27.954 1.00 19.64 C ATOM 483 O HIS A 761 29.555 -10.467 28.226 1.00 21.02 O ATOM 484 CB HIS A 761 31.363 -11.192 25.608 1.00 22.37 C ATOM 485 CG HIS A 761 31.655 -12.024 24.436 1.00 23.85 C ATOM 486 ND1 HIS A 761 30.690 -12.391 23.543 1.00 26.40 N ATOM 487 CD2 HIS A 761 32.814 -12.551 23.981 1.00 27.31 C ATOM 488 CE1 HIS A 761 31.240 -13.084 22.568 1.00 28.71 C ATOM 489 NE2 HIS A 761 32.519 -13.239 22.832 1.00 30.59 N ATOM 0 H HIS A 761 28.913 -12.004 26.351 1.00 21.82 H new ATOM 0 HA HIS A 761 31.411 -12.671 27.102 1.00 22.18 H new ATOM 0 HB2 HIS A 761 30.723 -10.510 25.352 1.00 22.37 H new ATOM 0 HB3 HIS A 761 32.176 -10.734 25.872 1.00 22.37 H new ATOM 0 HD1 HIS A 761 29.854 -12.200 23.607 1.00 26.40 H new ATOM 0 HD2 HIS A 761 33.653 -12.463 24.373 1.00 27.31 H new ATOM 0 HE1 HIS A 761 30.798 -13.410 21.818 1.00 28.71 H new ATOM 490 N GLN A 762 31.747 -10.693 28.650 1.00 24.21 N ATOM 491 CA GLN A 762 31.733 -9.664 29.647 1.00 24.94 C ATOM 492 C GLN A 762 32.058 -8.310 28.992 1.00 20.68 C ATOM 493 O GLN A 762 32.942 -8.231 28.153 1.00 21.29 O ATOM 494 CB GLN A 762 32.828 -9.899 30.693 1.00 28.33 C ATOM 495 CG GLN A 762 32.600 -11.212 31.465 1.00 32.56 C ATOM 496 CD GLN A 762 31.326 -11.209 32.261 1.00 39.46 C ATOM 497 OE1 GLN A 762 30.377 -11.986 31.984 1.00 40.96 O ATOM 498 NE2 GLN A 762 31.261 -10.329 33.236 1.00 41.96 N ATOM 0 H GLN A 762 32.504 -11.088 28.548 1.00 24.21 H new ATOM 0 HA GLN A 762 30.855 -9.672 30.059 1.00 24.94 H new ATOM 0 HB2 GLN A 762 33.694 -9.925 30.256 1.00 28.33 H new ATOM 0 HB3 GLN A 762 32.847 -9.155 31.316 1.00 28.33 H new ATOM 0 HG2 GLN A 762 32.582 -11.952 30.838 1.00 32.56 H new ATOM 0 HG3 GLN A 762 33.349 -11.365 32.062 1.00 32.56 H new ATOM 0 HE21 GLN A 762 31.931 -9.814 33.396 1.00 41.96 H new ATOM 0 HE22 GLN A 762 30.549 -10.268 33.714 1.00 41.96 H new ATOM 499 N GLU A 763 31.309 -7.306 29.416 1.00 22.34 N ATOM 500 CA GLU A 763 31.532 -5.956 28.828 1.00 23.42 C ATOM 501 C GLU A 763 32.973 -5.490 29.004 1.00 22.77 C ATOM 502 O GLU A 763 33.600 -4.905 28.079 1.00 20.89 O ATOM 503 CB GLU A 763 30.584 -4.945 29.459 1.00 22.73 C ATOM 504 CG GLU A 763 30.868 -3.513 28.910 1.00 22.50 C ATOM 505 CD GLU A 763 29.959 -2.383 29.361 1.00 26.60 C ATOM 506 OE1 GLU A 763 28.802 -2.510 29.308 1.00 29.59 O ATOM 507 OE2 GLU A 763 30.460 -1.341 29.787 1.00 29.45 O ATOM 0 H GLU A 763 30.692 -7.359 30.012 1.00 22.34 H new ATOM 0 HA GLU A 763 31.354 -6.021 27.877 1.00 23.42 H new ATOM 0 HB2 GLU A 763 29.665 -5.193 29.270 1.00 22.73 H new ATOM 0 HB3 GLU A 763 30.688 -4.954 30.423 1.00 22.73 H new ATOM 0 HG2 GLU A 763 31.777 -3.277 29.151 1.00 22.50 H new ATOM 0 HG3 GLU A 763 30.833 -3.554 27.941 1.00 22.50 H new ATOM 508 N SER A 764 33.576 -5.770 30.171 1.00 22.65 N ATOM 509 CA SER A 764 34.945 -5.337 30.395 1.00 23.77 C ATOM 510 C SER A 764 35.955 -5.977 29.435 1.00 21.76 C ATOM 511 O SER A 764 36.851 -5.238 28.964 1.00 25.77 O ATOM 512 CB SER A 764 35.280 -5.571 31.874 1.00 26.49 C ATOM 513 OG SER A 764 35.234 -6.970 32.171 1.00 32.18 O ATOM 0 H SER A 764 33.214 -6.198 30.823 1.00 22.65 H new ATOM 0 HA SER A 764 35.016 -4.391 30.195 1.00 23.77 H new ATOM 0 HB2 SER A 764 36.162 -5.219 32.073 1.00 26.49 H new ATOM 0 HB3 SER A 764 34.650 -5.093 32.436 1.00 26.49 H new ATOM 0 HG SER A 764 34.447 -7.189 32.367 1.00 32.18 H new ATOM 514 N GLU A 765 35.768 -7.259 29.007 1.00 21.30 N ATOM 515 CA GLU A 765 36.637 -7.838 28.045 1.00 24.14 C ATOM 516 C GLU A 765 36.409 -7.215 26.646 1.00 19.79 C ATOM 517 O GLU A 765 37.370 -6.926 25.892 1.00 24.04 O ATOM 518 CB GLU A 765 36.418 -9.379 27.962 1.00 27.04 C ATOM 519 CG GLU A 765 37.181 -10.070 26.811 1.00 28.75 C ATOM 520 CD GLU A 765 36.444 -10.173 25.435 1.00 29.21 C ATOM 521 OE1 GLU A 765 35.204 -10.422 25.387 1.00 29.81 O ATOM 522 OE2 GLU A 765 37.161 -10.138 24.407 1.00 33.10 O ATOM 0 H GLU A 765 35.138 -7.776 29.282 1.00 21.30 H new ATOM 0 HA GLU A 765 37.547 -7.657 28.327 1.00 24.14 H new ATOM 0 HB2 GLU A 765 36.691 -9.779 28.802 1.00 27.04 H new ATOM 0 HB3 GLU A 765 35.470 -9.555 27.858 1.00 27.04 H new ATOM 0 HG2 GLU A 765 38.014 -9.593 26.672 1.00 28.75 H new ATOM 0 HG3 GLU A 765 37.412 -10.967 27.098 1.00 28.75 H new ATOM 523 N VAL A 766 35.127 -6.934 26.363 1.00 20.51 N ATOM 524 CA VAL A 766 34.799 -6.358 25.025 1.00 20.00 C ATOM 525 C VAL A 766 35.488 -5.010 24.893 1.00 17.61 C ATOM 526 O VAL A 766 35.997 -4.680 23.823 1.00 19.26 O ATOM 527 CB VAL A 766 33.290 -6.238 24.869 1.00 19.80 C ATOM 528 CG1 VAL A 766 32.927 -5.361 23.660 1.00 21.11 C ATOM 529 CG2 VAL A 766 32.647 -7.617 24.729 1.00 24.26 C ATOM 0 H VAL A 766 34.460 -7.057 26.892 1.00 20.51 H new ATOM 0 HA VAL A 766 35.118 -6.939 24.317 1.00 20.00 H new ATOM 0 HB VAL A 766 32.944 -5.814 25.670 1.00 19.80 H new ATOM 0 HG11 VAL A 766 31.962 -5.300 23.582 1.00 21.11 H new ATOM 0 HG12 VAL A 766 33.298 -4.473 23.781 1.00 21.11 H new ATOM 0 HG13 VAL A 766 33.292 -5.756 22.853 1.00 21.11 H new ATOM 0 HG21 VAL A 766 31.687 -7.518 24.631 1.00 24.26 H new ATOM 0 HG22 VAL A 766 33.007 -8.064 23.947 1.00 24.26 H new ATOM 0 HG23 VAL A 766 32.838 -8.145 25.520 1.00 24.26 H new ATOM 530 N LEU A 767 35.380 -4.211 25.910 1.00 18.24 N ATOM 531 CA LEU A 767 35.891 -2.850 25.817 1.00 19.65 C ATOM 532 C LEU A 767 37.384 -2.793 25.571 1.00 22.78 C ATOM 533 O LEU A 767 37.924 -1.922 24.911 1.00 21.78 O ATOM 534 CB LEU A 767 35.507 -1.973 27.005 1.00 20.74 C ATOM 535 CG LEU A 767 34.035 -1.712 27.270 1.00 24.18 C ATOM 536 CD1 LEU A 767 33.802 -0.836 28.470 1.00 29.26 C ATOM 537 CD2 LEU A 767 33.363 -1.092 26.091 1.00 22.68 C ATOM 0 H LEU A 767 35.021 -4.418 26.663 1.00 18.24 H new ATOM 0 HA LEU A 767 35.450 -2.480 25.036 1.00 19.65 H new ATOM 0 HB2 LEU A 767 35.883 -2.377 27.803 1.00 20.74 H new ATOM 0 HB3 LEU A 767 35.942 -1.114 26.890 1.00 20.74 H new ATOM 0 HG LEU A 767 33.650 -2.585 27.446 1.00 24.18 H new ATOM 0 HD11 LEU A 767 32.849 -0.702 28.593 1.00 29.26 H new ATOM 0 HD12 LEU A 767 34.173 -1.262 29.259 1.00 29.26 H new ATOM 0 HD13 LEU A 767 34.234 0.022 28.333 1.00 29.26 H new ATOM 0 HD21 LEU A 767 32.427 -0.940 26.295 1.00 22.68 H new ATOM 0 HD22 LEU A 767 33.790 -0.246 25.883 1.00 22.68 H new ATOM 0 HD23 LEU A 767 33.435 -1.686 25.328 1.00 22.68 H new ATOM 538 N MET A 768 38.130 -3.788 26.160 1.00 22.08 N ATOM 539 CA MET A 768 39.587 -3.806 25.949 1.00 23.62 C ATOM 540 C MET A 768 40.078 -4.362 24.646 1.00 23.60 C ATOM 541 O MET A 768 41.306 -4.252 24.336 1.00 24.04 O ATOM 542 CB MET A 768 40.254 -4.621 27.073 1.00 28.48 C ATOM 543 CG MET A 768 40.129 -3.918 28.371 1.00 34.80 C ATOM 544 SD MET A 768 40.687 -2.177 28.414 1.00 57.18 S ATOM 545 CE MET A 768 42.328 -2.179 27.694 1.00 46.94 C ATOM 0 H MET A 768 37.817 -4.419 26.654 1.00 22.08 H new ATOM 0 HA MET A 768 39.829 -2.867 25.945 1.00 23.62 H new ATOM 0 HB2 MET A 768 39.842 -5.497 27.133 1.00 28.48 H new ATOM 0 HB3 MET A 768 41.191 -4.762 26.865 1.00 28.48 H new ATOM 0 HG2 MET A 768 39.198 -3.945 28.642 1.00 34.80 H new ATOM 0 HG3 MET A 768 40.633 -4.415 29.035 1.00 34.80 H new ATOM 0 HE1 MET A 768 42.623 -1.265 27.558 1.00 46.94 H new ATOM 0 HE2 MET A 768 42.943 -2.631 28.292 1.00 46.94 H new ATOM 0 HE3 MET A 768 42.307 -2.642 26.842 1.00 46.94 H new ATOM 546 N ARG A 769 39.164 -4.870 23.808 1.00 19.94 N ATOM 547 CA ARG A 769 39.541 -5.349 22.508 1.00 21.94 C ATOM 548 C ARG A 769 40.162 -4.268 21.639 1.00 23.13 C ATOM 549 O ARG A 769 39.568 -3.229 21.473 1.00 20.84 O ATOM 550 CB ARG A 769 38.393 -5.978 21.787 1.00 23.02 C ATOM 551 CG ARG A 769 37.884 -7.250 22.403 1.00 26.07 C ATOM 552 CD ARG A 769 36.762 -7.775 21.567 1.00 30.98 C ATOM 553 NE ARG A 769 36.040 -8.795 22.264 1.00 28.89 N ATOM 554 CZ ARG A 769 34.854 -9.224 21.932 1.00 27.24 C ATOM 555 NH1 ARG A 769 34.199 -8.715 20.905 1.00 30.41 N ATOM 556 NH2 ARG A 769 34.287 -10.141 22.628 1.00 31.51 N ATOM 0 H ARG A 769 38.326 -4.939 23.988 1.00 19.94 H new ATOM 0 HA ARG A 769 40.216 -6.026 22.670 1.00 21.94 H new ATOM 0 HB2 ARG A 769 37.664 -5.339 21.745 1.00 23.02 H new ATOM 0 HB3 ARG A 769 38.662 -6.161 20.873 1.00 23.02 H new ATOM 0 HG2 ARG A 769 38.597 -7.905 22.458 1.00 26.07 H new ATOM 0 HG3 ARG A 769 37.579 -7.086 23.309 1.00 26.07 H new ATOM 0 HD2 ARG A 769 36.161 -7.050 21.333 1.00 30.98 H new ATOM 0 HD3 ARG A 769 37.112 -8.132 20.736 1.00 30.98 H new ATOM 0 HE ARG A 769 36.415 -9.151 22.951 1.00 28.89 H new ATOM 0 HH11 ARG A 769 34.554 -8.086 20.438 1.00 30.41 H new ATOM 0 HH12 ARG A 769 33.418 -9.012 20.703 1.00 30.41 H new ATOM 0 HH21 ARG A 769 34.689 -10.472 23.312 1.00 31.51 H new ATOM 0 HH22 ARG A 769 33.505 -10.425 22.410 1.00 31.51 H new ATOM 557 N GLN A 770 41.279 -4.603 20.978 1.00 21.61 N ATOM 558 CA GLN A 770 41.807 -3.805 19.957 1.00 22.50 C ATOM 559 C GLN A 770 40.897 -3.685 18.757 1.00 20.29 C ATOM 560 O GLN A 770 40.190 -4.653 18.373 1.00 21.40 O ATOM 561 CB GLN A 770 43.161 -4.369 19.473 1.00 25.72 C ATOM 562 CG GLN A 770 44.092 -4.245 20.641 1.00 29.65 C ATOM 563 CD GLN A 770 45.490 -4.740 20.382 1.00 36.48 C ATOM 564 OE1 GLN A 770 45.928 -4.803 19.269 1.00 36.43 O ATOM 565 NE2 GLN A 770 46.180 -5.098 21.437 1.00 40.45 N ATOM 0 H GLN A 770 41.732 -5.316 21.138 1.00 21.61 H new ATOM 0 HA GLN A 770 41.913 -2.923 20.346 1.00 22.50 H new ATOM 0 HB2 GLN A 770 43.074 -5.294 19.194 1.00 25.72 H new ATOM 0 HB3 GLN A 770 43.492 -3.872 18.709 1.00 25.72 H new ATOM 0 HG2 GLN A 770 44.135 -3.313 20.908 1.00 29.65 H new ATOM 0 HG3 GLN A 770 43.720 -4.737 21.390 1.00 29.65 H new ATOM 0 HE21 GLN A 770 45.830 -5.038 22.220 1.00 40.45 H new ATOM 0 HE22 GLN A 770 46.983 -5.393 21.346 1.00 40.45 H new ATOM 566 N MET A 771 40.960 -2.494 18.145 1.00 19.03 N ATOM 567 CA MET A 771 40.134 -2.266 16.946 1.00 20.79 C ATOM 568 C MET A 771 40.665 -2.911 15.630 1.00 20.62 C ATOM 569 O MET A 771 40.939 -2.216 14.649 1.00 21.56 O ATOM 570 CB MET A 771 39.885 -0.773 16.791 1.00 21.78 C ATOM 571 CG MET A 771 38.995 -0.222 17.852 1.00 27.62 C ATOM 572 SD MET A 771 37.207 -0.592 17.491 1.00 24.24 S ATOM 573 CE MET A 771 36.848 1.016 16.794 1.00 24.90 C ATOM 0 H MET A 771 41.450 -1.832 18.392 1.00 19.03 H new ATOM 0 HA MET A 771 39.298 -2.734 17.096 1.00 20.79 H new ATOM 0 HB2 MET A 771 40.734 -0.304 16.811 1.00 21.78 H new ATOM 0 HB3 MET A 771 39.488 -0.604 15.922 1.00 21.78 H new ATOM 0 HG2 MET A 771 39.239 -0.601 18.711 1.00 27.62 H new ATOM 0 HG3 MET A 771 39.122 0.737 17.918 1.00 27.62 H new ATOM 0 HE1 MET A 771 35.958 1.010 16.408 1.00 24.90 H new ATOM 0 HE2 MET A 771 36.893 1.689 17.491 1.00 24.90 H new ATOM 0 HE3 MET A 771 37.498 1.222 16.104 1.00 24.90 H new ATOM 574 N LEU A 772 40.746 -4.292 15.640 1.00 20.81 N ATOM 575 CA LEU A 772 41.018 -5.025 14.470 1.00 25.38 C ATOM 576 C LEU A 772 39.804 -4.877 13.519 1.00 22.48 C ATOM 577 O LEU A 772 38.725 -4.407 13.978 1.00 21.63 O ATOM 578 CB LEU A 772 41.193 -6.488 14.840 1.00 26.69 C ATOM 579 CG LEU A 772 42.456 -6.803 15.666 1.00 33.55 C ATOM 580 CD1 LEU A 772 42.501 -8.336 15.798 1.00 32.12 C ATOM 581 CD2 LEU A 772 43.682 -6.300 14.950 1.00 32.74 C ATOM 0 H LEU A 772 40.638 -4.774 16.344 1.00 20.81 H new ATOM 0 HA LEU A 772 41.824 -4.701 14.039 1.00 25.38 H new ATOM 0 HB2 LEU A 772 40.414 -6.776 15.341 1.00 26.69 H new ATOM 0 HB3 LEU A 772 41.216 -7.014 14.025 1.00 26.69 H new ATOM 0 HG LEU A 772 42.434 -6.373 16.535 1.00 33.55 H new ATOM 0 HD11 LEU A 772 43.282 -8.594 16.313 1.00 32.12 H new ATOM 0 HD12 LEU A 772 41.700 -8.646 16.249 1.00 32.12 H new ATOM 0 HD13 LEU A 772 42.550 -8.736 14.916 1.00 32.12 H new ATOM 0 HD21 LEU A 772 44.471 -6.503 15.477 1.00 32.74 H new ATOM 0 HD22 LEU A 772 43.752 -6.733 14.085 1.00 32.74 H new ATOM 0 HD23 LEU A 772 43.614 -5.340 14.827 1.00 32.74 H new ATOM 582 N PRO A 773 39.910 -5.321 12.247 1.00 24.69 N ATOM 583 CA PRO A 773 38.837 -5.176 11.252 1.00 24.82 C ATOM 584 C PRO A 773 37.418 -5.602 11.689 1.00 25.27 C ATOM 585 O PRO A 773 36.408 -4.870 11.468 1.00 22.08 O ATOM 586 CB PRO A 773 39.366 -6.033 10.092 1.00 24.75 C ATOM 587 CG PRO A 773 40.831 -5.748 10.135 1.00 25.62 C ATOM 588 CD PRO A 773 41.138 -5.818 11.583 1.00 24.82 C ATOM 0 HA PRO A 773 38.681 -4.241 11.047 1.00 24.82 H new ATOM 0 HB2 PRO A 773 39.176 -6.975 10.221 1.00 24.75 H new ATOM 0 HB3 PRO A 773 38.972 -5.778 9.243 1.00 24.75 H new ATOM 0 HG2 PRO A 773 41.339 -6.400 9.628 1.00 25.62 H new ATOM 0 HG3 PRO A 773 41.039 -4.876 9.765 1.00 25.62 H new ATOM 0 HD2 PRO A 773 41.345 -6.725 11.857 1.00 24.82 H new ATOM 0 HD3 PRO A 773 41.907 -5.271 11.808 1.00 24.82 H new ATOM 589 N GLU A 774 37.297 -6.728 12.363 1.00 23.99 N ATOM 590 CA AGLU A 774 36.027 -7.221 12.904 0.49 25.53 C ATOM 591 CA BGLU A 774 35.974 -7.158 12.831 0.51 26.21 C ATOM 592 C GLU A 774 35.373 -6.250 13.916 1.00 24.30 C ATOM 593 O GLU A 774 34.183 -5.967 13.861 1.00 21.55 O ATOM 594 CB AGLU A 774 36.231 -8.587 13.552 0.49 27.25 C ATOM 595 CB BGLU A 774 35.936 -8.643 13.185 0.51 27.41 C ATOM 596 CG AGLU A 774 34.933 -9.215 13.962 0.49 27.99 C ATOM 597 CG BGLU A 774 36.112 -9.456 11.921 0.51 29.90 C ATOM 598 CD AGLU A 774 35.064 -10.641 14.397 0.49 34.24 C ATOM 599 CD BGLU A 774 35.827 -10.935 12.093 0.51 33.00 C ATOM 600 OE1AGLU A 774 35.881 -11.368 13.799 0.49 35.73 O ATOM 601 OE1BGLU A 774 35.688 -11.406 13.226 0.51 37.85 O ATOM 602 OE2AGLU A 774 34.330 -10.990 15.339 0.49 35.74 O ATOM 603 OE2BGLU A 774 35.725 -11.599 11.057 0.51 40.09 O ATOM 0 H AGLU A 774 37.963 -7.247 12.528 0.49 23.99 H new ATOM 0 H BGLU A 774 37.947 -7.255 12.562 0.51 23.99 H new ATOM 0 HA AGLU A 774 35.416 -7.293 12.154 0.49 26.21 H new ATOM 0 HA BGLU A 774 35.379 -7.049 12.073 0.51 26.21 H new ATOM 0 HB2AGLU A 774 36.691 -9.173 12.931 0.49 27.41 H new ATOM 0 HB2BGLU A 774 36.639 -8.854 13.820 0.51 27.41 H new ATOM 0 HB3AGLU A 774 36.803 -8.493 14.329 0.49 27.41 H new ATOM 0 HB3BGLU A 774 35.093 -8.864 13.611 0.51 27.41 H new ATOM 0 HG2AGLU A 774 34.548 -8.698 14.687 0.49 29.90 H new ATOM 0 HG2BGLU A 774 35.525 -9.101 11.235 0.51 29.90 H new ATOM 0 HG3AGLU A 774 34.311 -9.168 13.219 0.49 29.90 H new ATOM 0 HG3BGLU A 774 37.021 -9.347 11.601 0.51 29.90 H new ATOM 604 N GLU A 775 36.176 -5.757 14.841 1.00 20.14 N ATOM 605 CA AGLU A 775 35.661 -4.856 15.849 0.55 21.48 C ATOM 606 CA BGLU A 775 35.702 -4.834 15.860 0.45 20.45 C ATOM 607 C GLU A 775 35.367 -3.469 15.289 1.00 18.49 C ATOM 608 O GLU A 775 34.376 -2.841 15.728 1.00 19.16 O ATOM 609 CB AGLU A 775 36.633 -4.745 17.045 0.55 24.11 C ATOM 610 CB BGLU A 775 36.751 -4.656 16.988 0.45 20.99 C ATOM 611 CG AGLU A 775 37.102 -6.079 17.635 0.55 28.36 C ATOM 612 CG BGLU A 775 36.704 -5.734 18.070 0.45 22.91 C ATOM 613 CD AGLU A 775 35.962 -7.030 18.031 0.55 29.98 C ATOM 614 CD BGLU A 775 37.294 -7.084 17.585 0.45 25.28 C ATOM 615 OE1AGLU A 775 35.124 -6.611 18.799 0.55 34.06 O ATOM 616 OE1BGLU A 775 38.132 -7.083 16.662 0.45 28.85 O ATOM 617 OE2AGLU A 775 35.943 -8.202 17.599 0.55 35.64 O ATOM 618 OE2BGLU A 775 36.885 -8.142 18.140 0.45 26.39 O ATOM 0 H AGLU A 775 37.016 -5.930 14.902 0.55 20.14 H new ATOM 0 H BGLU A 775 37.013 -5.947 14.898 0.45 20.14 H new ATOM 0 HA AGLU A 775 34.823 -5.236 16.156 0.55 20.45 H new ATOM 0 HA BGLU A 775 34.893 -5.227 16.222 0.45 20.45 H new ATOM 0 HB2AGLU A 775 37.413 -4.241 16.763 0.55 20.99 H new ATOM 0 HB2BGLU A 775 37.637 -4.648 16.593 0.45 20.99 H new ATOM 0 HB3AGLU A 775 36.202 -4.232 17.746 0.55 20.99 H new ATOM 0 HB3BGLU A 775 36.619 -3.790 17.404 0.45 20.99 H new ATOM 0 HG2AGLU A 775 37.671 -6.525 16.988 0.55 22.91 H new ATOM 0 HG2BGLU A 775 37.197 -5.429 18.848 0.45 22.91 H new ATOM 0 HG3AGLU A 775 37.647 -5.901 18.417 0.55 22.91 H new ATOM 0 HG3BGLU A 775 35.785 -5.868 18.350 0.45 22.91 H new ATOM 619 N GLN A 776 36.183 -3.025 14.369 1.00 20.07 N ATOM 620 CA GLN A 776 35.910 -1.776 13.632 1.00 18.95 C ATOM 621 C GLN A 776 34.549 -1.892 13.002 1.00 18.33 C ATOM 622 O GLN A 776 33.716 -0.931 13.045 1.00 18.38 O ATOM 623 CB GLN A 776 37.050 -1.490 12.647 1.00 19.37 C ATOM 624 CG GLN A 776 36.875 -0.337 11.642 1.00 21.90 C ATOM 625 CD GLN A 776 37.217 0.979 12.225 1.00 20.67 C ATOM 626 OE1 GLN A 776 38.056 1.101 13.147 1.00 20.67 O ATOM 627 NE2 GLN A 776 36.632 2.034 11.667 1.00 22.35 N ATOM 0 H GLN A 776 36.911 -3.421 14.140 1.00 20.07 H new ATOM 0 HA GLN A 776 35.885 -1.005 14.220 1.00 18.95 H new ATOM 0 HB2 GLN A 776 37.851 -1.312 13.165 1.00 19.37 H new ATOM 0 HB3 GLN A 776 37.214 -2.301 12.141 1.00 19.37 H new ATOM 0 HG2 GLN A 776 37.435 -0.500 10.867 1.00 21.90 H new ATOM 0 HG3 GLN A 776 35.957 -0.320 11.330 1.00 21.90 H new ATOM 0 HE21 GLN A 776 36.059 1.924 11.035 1.00 22.35 H new ATOM 0 HE22 GLN A 776 36.827 2.827 11.938 1.00 22.35 H new ATOM 628 N LEU A 777 34.305 -2.978 12.260 1.00 18.90 N ATOM 629 CA LEU A 777 33.005 -3.160 11.604 1.00 19.75 C ATOM 630 C LEU A 777 31.834 -3.174 12.579 1.00 18.74 C ATOM 631 O LEU A 777 30.769 -2.551 12.370 1.00 18.11 O ATOM 632 CB LEU A 777 32.947 -4.497 10.899 1.00 25.56 C ATOM 633 CG LEU A 777 31.771 -4.645 9.948 1.00 31.95 C ATOM 634 CD1 LEU A 777 31.974 -3.735 8.755 1.00 34.22 C ATOM 635 CD2 LEU A 777 31.665 -6.112 9.544 1.00 32.11 C ATOM 0 H LEU A 777 34.870 -3.612 12.125 1.00 18.90 H new ATOM 0 HA LEU A 777 32.928 -2.408 10.997 1.00 19.75 H new ATOM 0 HB2 LEU A 777 33.770 -4.626 10.403 1.00 25.56 H new ATOM 0 HB3 LEU A 777 32.903 -5.201 11.565 1.00 25.56 H new ATOM 0 HG LEU A 777 30.939 -4.384 10.372 1.00 31.95 H new ATOM 0 HD11 LEU A 777 31.225 -3.827 8.146 1.00 34.22 H new ATOM 0 HD12 LEU A 777 32.034 -2.815 9.056 1.00 34.22 H new ATOM 0 HD13 LEU A 777 32.794 -3.979 8.297 1.00 34.22 H new ATOM 0 HD21 LEU A 777 30.918 -6.227 8.936 1.00 32.11 H new ATOM 0 HD22 LEU A 777 32.485 -6.387 9.105 1.00 32.11 H new ATOM 0 HD23 LEU A 777 31.524 -6.656 10.335 1.00 32.11 H new ATOM 636 N LYS A 778 32.011 -3.857 13.719 1.00 18.75 N ATOM 637 CA ALYS A 778 30.941 -3.910 14.714 0.17 18.48 C ATOM 638 CA BLYS A 778 30.942 -3.936 14.693 0.83 19.42 C ATOM 639 C LYS A 778 30.622 -2.512 15.269 1.00 16.08 C ATOM 640 O LYS A 778 29.431 -2.199 15.590 1.00 18.60 O ATOM 641 CB ALYS A 778 31.299 -4.868 15.855 0.17 19.33 C ATOM 642 CB BLYS A 778 31.298 -4.945 15.799 0.83 21.13 C ATOM 643 CG ALYS A 778 31.109 -6.329 15.477 0.17 20.28 C ATOM 644 CG BLYS A 778 31.089 -6.413 15.339 0.83 23.21 C ATOM 645 CD ALYS A 778 31.177 -7.234 16.690 0.17 21.34 C ATOM 646 CD BLYS A 778 31.446 -7.404 16.442 0.83 27.29 C ATOM 647 CE ALYS A 778 30.762 -8.638 16.309 0.17 22.59 C ATOM 648 CE BLYS A 778 31.154 -8.838 16.001 0.83 36.60 C ATOM 649 NZ ALYS A 778 31.717 -9.203 15.312 0.17 23.03 N ATOM 650 NZ BLYS A 778 31.070 -9.778 17.175 0.83 41.85 N ATOM 0 H ALYS A 778 32.727 -4.285 13.928 0.17 18.75 H new ATOM 0 H BLYS A 778 32.733 -4.271 13.935 0.83 18.75 H new ATOM 0 HA ALYS A 778 30.147 -4.245 14.269 0.17 19.42 H new ATOM 0 HA BLYS A 778 30.137 -4.258 14.258 0.83 19.42 H new ATOM 0 HB2ALYS A 778 32.222 -4.723 16.116 0.17 21.13 H new ATOM 0 HB2BLYS A 778 32.222 -4.819 16.065 0.83 21.13 H new ATOM 0 HB3ALYS A 778 30.750 -4.664 16.628 0.17 21.13 H new ATOM 0 HB3BLYS A 778 30.752 -4.772 16.582 0.83 21.13 H new ATOM 0 HG2ALYS A 778 30.252 -6.441 15.037 0.17 23.21 H new ATOM 0 HG2BLYS A 778 30.165 -6.541 15.075 0.83 23.21 H new ATOM 0 HG3ALYS A 778 31.792 -6.590 14.839 0.17 23.21 H new ATOM 0 HG3BLYS A 778 31.635 -6.588 14.557 0.83 23.21 H new ATOM 0 HD2ALYS A 778 32.078 -7.241 17.048 0.17 27.29 H new ATOM 0 HD2BLYS A 778 32.385 -7.316 16.670 0.83 27.29 H new ATOM 0 HD3ALYS A 778 30.596 -6.895 17.389 0.17 27.29 H new ATOM 0 HD3BLYS A 778 30.939 -7.198 17.243 0.83 27.29 H new ATOM 0 HE2ALYS A 778 30.737 -9.201 17.099 0.17 36.60 H new ATOM 0 HE2BLYS A 778 30.319 -8.861 15.508 0.83 36.60 H new ATOM 0 HE3ALYS A 778 29.865 -8.629 15.939 0.17 36.60 H new ATOM 0 HE3BLYS A 778 31.850 -9.138 15.395 0.83 36.60 H new ATOM 0 HZ1ALYS A 778 31.949 -10.027 15.556 0.17 41.85 H new ATOM 0 HZ1BLYS A 778 30.900 -10.602 16.884 0.83 41.85 H new ATOM 0 HZ2ALYS A 778 31.329 -9.229 14.511 0.17 41.85 H new ATOM 0 HZ2BLYS A 778 31.843 -9.773 17.615 0.83 41.85 H new ATOM 0 HZ3ALYS A 778 32.443 -8.690 15.273 0.17 41.85 H new ATOM 0 HZ3BLYS A 778 30.417 -9.515 17.720 0.83 41.85 H new ATOM 651 N CYS A 779 31.695 -1.716 15.516 1.00 16.43 N ATOM 652 CA CYS A 779 31.472 -0.324 16.010 1.00 17.20 C ATOM 653 C CYS A 779 30.786 0.506 14.937 1.00 18.70 C ATOM 654 O CYS A 779 29.894 1.293 15.267 1.00 15.56 O ATOM 655 CB CYS A 779 32.724 0.425 16.460 1.00 15.22 C ATOM 656 SG CYS A 779 33.475 -0.383 17.958 1.00 18.81 S ATOM 0 H CYS A 779 32.517 -1.946 15.411 1.00 16.43 H new ATOM 0 HA CYS A 779 30.920 -0.436 16.800 1.00 17.20 H new ATOM 0 HB2 CYS A 779 33.372 0.443 15.738 1.00 15.22 H new ATOM 0 HB3 CYS A 779 32.499 1.347 16.663 1.00 15.22 H new ATOM 0 HG CYS A 779 34.665 -0.456 17.819 1.00 18.81 H new ATOM 657 N GLU A 780 31.169 0.339 13.687 1.00 17.98 N ATOM 658 CA GLU A 780 30.432 1.042 12.562 1.00 16.76 C ATOM 659 C GLU A 780 28.989 0.692 12.557 1.00 17.91 C ATOM 660 O GLU A 780 28.119 1.547 12.358 1.00 18.26 O ATOM 661 CB GLU A 780 31.157 0.708 11.221 1.00 18.54 C ATOM 662 CG GLU A 780 32.514 1.344 11.081 1.00 19.31 C ATOM 663 CD GLU A 780 33.447 0.771 9.945 1.00 19.04 C ATOM 664 OE1 GLU A 780 33.107 -0.385 9.466 1.00 24.00 O ATOM 665 OE2 GLU A 780 34.502 1.429 9.683 1.00 23.67 O ATOM 0 H GLU A 780 31.828 -0.154 13.439 1.00 17.98 H new ATOM 0 HA GLU A 780 30.455 2.003 12.690 1.00 16.76 H new ATOM 0 HB2 GLU A 780 31.252 -0.254 11.147 1.00 18.54 H new ATOM 0 HB3 GLU A 780 30.598 0.995 10.482 1.00 18.54 H new ATOM 0 HG2 GLU A 780 32.390 2.293 10.922 1.00 19.31 H new ATOM 0 HG3 GLU A 780 32.979 1.257 11.928 1.00 19.31 H new ATOM 666 N PHE A 781 28.664 -0.567 12.743 1.00 16.17 N ATOM 667 CA PHE A 781 27.295 -1.059 12.687 1.00 17.24 C ATOM 668 C PHE A 781 26.496 -0.518 13.885 1.00 16.39 C ATOM 669 O PHE A 781 25.380 -0.054 13.772 1.00 17.44 O ATOM 670 CB PHE A 781 27.255 -2.570 12.700 1.00 17.55 C ATOM 671 CG PHE A 781 25.916 -3.190 12.511 1.00 18.46 C ATOM 672 CD1 PHE A 781 25.083 -2.801 11.463 1.00 20.04 C ATOM 673 CD2 PHE A 781 25.462 -4.199 13.323 1.00 19.45 C ATOM 674 CE1 PHE A 781 23.886 -3.418 11.226 1.00 20.93 C ATOM 675 CE2 PHE A 781 24.286 -4.821 13.103 1.00 22.29 C ATOM 676 CZ PHE A 781 23.457 -4.400 12.076 1.00 20.83 C ATOM 0 H PHE A 781 29.243 -1.181 12.910 1.00 16.17 H new ATOM 0 HA PHE A 781 26.899 -0.748 11.858 1.00 17.24 H new ATOM 0 HB2 PHE A 781 27.844 -2.897 12.002 1.00 17.55 H new ATOM 0 HB3 PHE A 781 27.618 -2.878 13.545 1.00 17.55 H new ATOM 0 HD1 PHE A 781 25.349 -2.102 10.910 1.00 20.04 H new ATOM 0 HD2 PHE A 781 25.982 -4.462 14.048 1.00 19.45 H new ATOM 0 HE1 PHE A 781 23.368 -3.172 10.494 1.00 20.93 H new ATOM 0 HE2 PHE A 781 24.031 -5.535 13.642 1.00 22.29 H new ATOM 0 HZ PHE A 781 22.616 -4.782 11.965 1.00 20.83 H new ATOM 677 N LEU A 782 27.095 -0.518 15.078 1.00 16.03 N ATOM 678 CA LEU A 782 26.472 0.046 16.250 1.00 15.54 C ATOM 679 C LEU A 782 26.192 1.557 16.041 1.00 15.77 C ATOM 680 O LEU A 782 25.079 2.008 16.390 1.00 16.10 O ATOM 681 CB LEU A 782 27.396 -0.200 17.472 1.00 17.23 C ATOM 682 CG LEU A 782 26.934 0.351 18.827 1.00 16.64 C ATOM 683 CD1 LEU A 782 25.520 0.079 19.141 1.00 19.09 C ATOM 684 CD2 LEU A 782 27.814 -0.256 19.944 1.00 19.22 C ATOM 0 H LEU A 782 27.876 -0.849 15.219 1.00 16.03 H new ATOM 0 HA LEU A 782 25.617 -0.383 16.411 1.00 15.54 H new ATOM 0 HB2 LEU A 782 27.522 -1.157 17.565 1.00 17.23 H new ATOM 0 HB3 LEU A 782 28.265 0.183 17.273 1.00 17.23 H new ATOM 0 HG LEU A 782 27.026 1.315 18.773 1.00 16.64 H new ATOM 0 HD11 LEU A 782 25.303 0.456 20.008 1.00 19.09 H new ATOM 0 HD12 LEU A 782 24.955 0.481 18.463 1.00 19.09 H new ATOM 0 HD13 LEU A 782 25.371 -0.879 19.159 1.00 19.09 H new ATOM 0 HD21 LEU A 782 27.528 0.088 20.805 1.00 19.22 H new ATOM 0 HD22 LEU A 782 27.726 -1.222 19.937 1.00 19.22 H new ATOM 0 HD23 LEU A 782 28.741 -0.015 19.792 1.00 19.22 H new ATOM 685 N LEU A 783 27.159 2.271 15.473 1.00 15.25 N ATOM 686 CA LEU A 783 26.929 3.717 15.208 1.00 15.16 C ATOM 687 C LEU A 783 25.759 3.832 14.234 1.00 15.94 C ATOM 688 O LEU A 783 24.857 4.699 14.402 1.00 15.04 O ATOM 689 CB LEU A 783 28.129 4.336 14.631 1.00 15.52 C ATOM 690 CG LEU A 783 28.082 5.807 14.313 1.00 15.38 C ATOM 691 CD1 LEU A 783 27.626 6.585 15.500 1.00 15.15 C ATOM 692 CD2 LEU A 783 29.432 6.303 13.860 1.00 14.70 C ATOM 0 H LEU A 783 27.928 1.967 15.237 1.00 15.25 H new ATOM 0 HA LEU A 783 26.729 4.179 16.037 1.00 15.16 H new ATOM 0 HB2 LEU A 783 28.865 4.188 15.246 1.00 15.52 H new ATOM 0 HB3 LEU A 783 28.344 3.862 13.813 1.00 15.52 H new ATOM 0 HG LEU A 783 27.448 5.936 13.590 1.00 15.38 H new ATOM 0 HD11 LEU A 783 27.601 7.529 15.278 1.00 15.15 H new ATOM 0 HD12 LEU A 783 26.739 6.291 15.759 1.00 15.15 H new ATOM 0 HD13 LEU A 783 28.241 6.442 16.236 1.00 15.15 H new ATOM 0 HD21 LEU A 783 29.379 7.251 13.661 1.00 14.70 H new ATOM 0 HD22 LEU A 783 30.083 6.157 14.564 1.00 14.70 H new ATOM 0 HD23 LEU A 783 29.704 5.821 13.063 1.00 14.70 H new ATOM 693 N LEU A 784 25.729 2.976 13.208 1.00 16.30 N ATOM 694 CA LEU A 784 24.661 3.065 12.222 1.00 16.11 C ATOM 695 C LEU A 784 23.299 2.758 12.828 1.00 17.00 C ATOM 696 O LEU A 784 22.289 3.486 12.534 1.00 18.53 O ATOM 697 CB LEU A 784 24.922 2.130 11.017 1.00 17.56 C ATOM 698 CG LEU A 784 23.793 2.051 9.978 1.00 19.31 C ATOM 699 CD1 LEU A 784 24.327 1.986 8.535 1.00 21.81 C ATOM 700 CD2 LEU A 784 22.885 0.848 10.172 1.00 18.86 C ATOM 0 H LEU A 784 26.305 2.352 13.070 1.00 16.30 H new ATOM 0 HA LEU A 784 24.653 3.983 11.908 1.00 16.11 H new ATOM 0 HB2 LEU A 784 25.731 2.424 10.570 1.00 17.56 H new ATOM 0 HB3 LEU A 784 25.093 1.236 11.353 1.00 17.56 H new ATOM 0 HG LEU A 784 23.288 2.867 10.117 1.00 19.31 H new ATOM 0 HD11 LEU A 784 23.582 1.937 7.916 1.00 21.81 H new ATOM 0 HD12 LEU A 784 24.851 2.780 8.348 1.00 21.81 H new ATOM 0 HD13 LEU A 784 24.885 1.199 8.431 1.00 21.81 H new ATOM 0 HD21 LEU A 784 22.194 0.850 9.491 1.00 18.86 H new ATOM 0 HD22 LEU A 784 23.407 0.034 10.100 1.00 18.86 H new ATOM 0 HD23 LEU A 784 22.473 0.891 11.049 1.00 18.86 H new ATOM 701 N LYS A 785 23.200 1.857 13.828 1.00 16.05 N ATOM 702 CA LYS A 785 21.968 1.528 14.492 1.00 16.65 C ATOM 703 C LYS A 785 21.453 2.759 15.278 1.00 17.45 C ATOM 704 O LYS A 785 20.253 2.993 15.312 1.00 18.25 O ATOM 705 CB LYS A 785 22.106 0.368 15.430 1.00 19.10 C ATOM 706 CG LYS A 785 22.147 -0.988 14.742 1.00 21.78 C ATOM 707 CD LYS A 785 20.782 -1.329 14.089 1.00 26.34 C ATOM 708 CE LYS A 785 20.836 -2.718 13.506 1.00 34.58 C ATOM 709 NZ LYS A 785 19.455 -3.274 13.525 1.00 35.05 N ATOM 0 H LYS A 785 23.877 1.421 14.131 1.00 16.05 H new ATOM 0 HA LYS A 785 21.335 1.272 13.803 1.00 16.65 H new ATOM 0 HB2 LYS A 785 22.917 0.480 15.950 1.00 19.10 H new ATOM 0 HB3 LYS A 785 21.364 0.380 16.055 1.00 19.10 H new ATOM 0 HG2 LYS A 785 22.841 -0.989 14.065 1.00 21.78 H new ATOM 0 HG3 LYS A 785 22.380 -1.674 15.387 1.00 21.78 H new ATOM 0 HD2 LYS A 785 20.074 -1.272 14.749 1.00 26.34 H new ATOM 0 HD3 LYS A 785 20.575 -0.684 13.395 1.00 26.34 H new ATOM 0 HE2 LYS A 785 21.180 -2.693 12.599 1.00 34.58 H new ATOM 0 HE3 LYS A 785 21.436 -3.280 14.021 1.00 34.58 H new ATOM 0 HZ1 LYS A 785 19.468 -4.112 13.225 1.00 35.05 H new ATOM 0 HZ2 LYS A 785 19.141 -3.262 14.358 1.00 35.05 H new ATOM 0 HZ3 LYS A 785 18.929 -2.781 13.003 1.00 35.05 H new ATOM 710 N VAL A 786 22.333 3.575 15.833 1.00 15.55 N ATOM 711 CA VAL A 786 21.893 4.832 16.453 1.00 14.40 C ATOM 712 C VAL A 786 21.344 5.812 15.426 1.00 14.87 C ATOM 713 O VAL A 786 20.286 6.403 15.684 1.00 17.03 O ATOM 714 CB VAL A 786 23.002 5.459 17.319 1.00 15.92 C ATOM 715 CG1 VAL A 786 22.649 6.839 17.894 1.00 16.13 C ATOM 716 CG2 VAL A 786 23.377 4.451 18.440 1.00 16.41 C ATOM 0 H VAL A 786 23.180 3.430 15.866 1.00 15.55 H new ATOM 0 HA VAL A 786 21.159 4.614 17.049 1.00 14.40 H new ATOM 0 HB VAL A 786 23.765 5.629 16.744 1.00 15.92 H new ATOM 0 HG11 VAL A 786 23.391 7.168 18.425 1.00 16.13 H new ATOM 0 HG12 VAL A 786 22.473 7.457 17.167 1.00 16.13 H new ATOM 0 HG13 VAL A 786 21.860 6.765 18.453 1.00 16.13 H new ATOM 0 HG21 VAL A 786 24.075 4.830 18.996 1.00 16.41 H new ATOM 0 HG22 VAL A 786 22.596 4.266 18.984 1.00 16.41 H new ATOM 0 HG23 VAL A 786 23.694 3.626 18.041 1.00 16.41 H new ATOM 717 N TYR A 787 22.031 6.024 14.321 1.00 16.50 N ATOM 718 CA TYR A 787 21.487 6.892 13.240 1.00 16.39 C ATOM 719 C TYR A 787 20.194 6.393 12.721 1.00 18.43 C ATOM 720 O TYR A 787 19.379 7.244 12.231 1.00 19.83 O ATOM 721 CB TYR A 787 22.508 7.072 12.114 1.00 17.14 C ATOM 722 CG TYR A 787 23.626 8.019 12.311 1.00 18.16 C ATOM 723 CD1 TYR A 787 23.508 9.412 12.038 1.00 19.17 C ATOM 724 CD2 TYR A 787 24.889 7.624 12.709 1.00 16.81 C ATOM 725 CE1 TYR A 787 24.563 10.270 12.157 1.00 17.73 C ATOM 726 CE2 TYR A 787 25.909 8.453 12.832 1.00 16.60 C ATOM 727 CZ TYR A 787 25.839 9.842 12.549 1.00 17.46 C ATOM 728 OH TYR A 787 26.939 10.708 12.651 1.00 18.52 O ATOM 0 H TYR A 787 22.806 5.689 14.159 1.00 16.50 H new ATOM 0 HA TYR A 787 21.315 7.763 13.631 1.00 16.39 H new ATOM 0 HB2 TYR A 787 22.891 6.201 11.923 1.00 17.14 H new ATOM 0 HB3 TYR A 787 22.024 7.350 11.320 1.00 17.14 H new ATOM 0 HD1 TYR A 787 22.684 9.749 11.769 1.00 19.17 H new ATOM 0 HD2 TYR A 787 25.028 6.725 12.901 1.00 16.81 H new ATOM 0 HE1 TYR A 787 24.430 11.172 11.971 1.00 17.73 H new ATOM 0 HE2 TYR A 787 26.722 8.106 13.121 1.00 16.60 H new ATOM 0 HH TYR A 787 26.753 11.441 12.285 1.00 18.52 H new ATOM 729 N CYS A 788 19.887 5.121 12.842 1.00 17.02 N ATOM 730 CA CYS A 788 18.630 4.597 12.360 1.00 19.36 C ATOM 731 C CYS A 788 17.414 5.196 13.147 1.00 21.38 C ATOM 732 O CYS A 788 16.296 5.187 12.606 1.00 23.74 O ATOM 733 CB CYS A 788 18.524 3.108 12.326 1.00 19.86 C ATOM 734 SG CYS A 788 19.522 2.273 11.057 1.00 21.64 S ATOM 0 H CYS A 788 20.401 4.535 13.206 1.00 17.02 H new ATOM 0 HA CYS A 788 18.603 4.884 11.434 1.00 19.36 H new ATOM 0 HB2 CYS A 788 18.781 2.762 13.195 1.00 19.86 H new ATOM 0 HB3 CYS A 788 17.594 2.870 12.190 1.00 19.86 H new ATOM 0 HG CYS A 788 20.686 2.488 11.257 1.00 21.64 H new ATOM 735 N ASP A 789 17.622 5.597 14.384 1.00 20.07 N ATOM 736 CA ASP A 789 16.542 6.185 15.164 1.00 22.08 C ATOM 737 C ASP A 789 16.396 7.643 14.777 1.00 18.70 C ATOM 738 O ASP A 789 17.338 8.421 14.762 1.00 19.29 O ATOM 739 CB ASP A 789 16.855 6.148 16.636 1.00 24.32 C ATOM 740 CG ASP A 789 15.588 6.324 17.449 1.00 31.62 C ATOM 741 OD1 ASP A 789 15.117 7.487 17.572 1.00 26.96 O ATOM 742 OD2 ASP A 789 14.998 5.276 17.842 1.00 31.26 O ATOM 0 H ASP A 789 18.376 5.540 14.794 1.00 20.07 H new ATOM 0 HA ASP A 789 15.733 5.679 14.987 1.00 22.08 H new ATOM 0 HB2 ASP A 789 17.277 5.304 16.862 1.00 24.32 H new ATOM 0 HB3 ASP A 789 17.488 6.850 16.856 1.00 24.32 H new ATOM 743 N SER A 790 15.139 8.056 14.475 1.00 22.75 N ATOM 744 CA SER A 790 14.994 9.465 14.097 1.00 22.19 C ATOM 745 C SER A 790 15.422 10.495 15.186 1.00 20.17 C ATOM 746 O SER A 790 15.840 11.635 14.790 1.00 21.70 O ATOM 747 CB SER A 790 13.558 9.740 13.653 1.00 25.11 C ATOM 748 OG SER A 790 12.706 9.516 14.766 1.00 32.89 O ATOM 0 H SER A 790 14.424 7.578 14.483 1.00 22.75 H new ATOM 0 HA SER A 790 15.617 9.597 13.365 1.00 22.19 H new ATOM 0 HB2 SER A 790 13.470 10.653 13.336 1.00 25.11 H new ATOM 0 HB3 SER A 790 13.313 9.159 12.916 1.00 25.11 H new ATOM 0 HG SER A 790 12.604 8.690 14.879 1.00 32.89 H new ATOM 749 N LYS A 791 15.467 10.124 16.478 1.00 17.96 N ATOM 750 CA LYS A 791 15.841 11.039 17.492 1.00 19.60 C ATOM 751 C LYS A 791 17.363 11.284 17.509 1.00 19.66 C ATOM 752 O LYS A 791 17.877 12.175 18.227 1.00 18.74 O ATOM 753 CB LYS A 791 15.381 10.523 18.852 1.00 19.63 C ATOM 754 CG LYS A 791 13.870 10.509 19.089 1.00 22.01 C ATOM 755 CD LYS A 791 13.476 9.604 20.278 1.00 26.24 C ATOM 756 CE LYS A 791 11.970 9.582 20.487 1.00 27.96 C ATOM 757 NZ LYS A 791 11.534 10.779 21.271 1.00 28.56 N ATOM 0 H LYS A 791 15.278 9.334 16.760 1.00 17.96 H new ATOM 0 HA LYS A 791 15.408 11.886 17.301 1.00 19.60 H new ATOM 0 HB2 LYS A 791 15.716 9.620 18.966 1.00 19.63 H new ATOM 0 HB3 LYS A 791 15.793 11.067 19.541 1.00 19.63 H new ATOM 0 HG2 LYS A 791 13.562 11.413 19.257 1.00 22.01 H new ATOM 0 HG3 LYS A 791 13.421 10.200 18.287 1.00 22.01 H new ATOM 0 HD2 LYS A 791 13.795 8.702 20.119 1.00 26.24 H new ATOM 0 HD3 LYS A 791 13.911 9.920 21.085 1.00 26.24 H new ATOM 0 HE2 LYS A 791 11.519 9.569 19.628 1.00 27.96 H new ATOM 0 HE3 LYS A 791 11.714 8.771 20.954 1.00 27.96 H new ATOM 0 HZ1 LYS A 791 10.664 10.717 21.448 1.00 28.56 H new ATOM 0 HZ2 LYS A 791 11.990 10.816 22.034 1.00 28.56 H new ATOM 0 HZ3 LYS A 791 11.688 11.517 20.797 1.00 28.56 H new ATOM 758 N SER A 792 18.135 10.468 16.717 1.00 18.73 N ATOM 759 CA SER A 792 19.519 10.802 16.540 1.00 18.75 C ATOM 760 C SER A 792 19.871 12.175 15.937 1.00 18.12 C ATOM 761 O SER A 792 20.919 12.713 16.191 1.00 19.63 O ATOM 762 CB SER A 792 20.201 9.687 15.697 1.00 17.71 C ATOM 763 OG SER A 792 19.704 9.743 14.359 1.00 18.93 O ATOM 0 H SER A 792 17.863 9.762 16.309 1.00 18.73 H new ATOM 0 HA SER A 792 19.853 10.867 17.448 1.00 18.75 H new ATOM 0 HB2 SER A 792 21.164 9.806 15.702 1.00 17.71 H new ATOM 0 HB3 SER A 792 20.020 8.816 16.085 1.00 17.71 H new ATOM 0 HG SER A 792 18.956 9.363 14.322 1.00 18.93 H new ATOM 764 N CYS A 793 18.863 12.790 15.269 1.00 19.53 N ATOM 765 CA CYS A 793 19.042 14.125 14.777 1.00 21.60 C ATOM 766 C CYS A 793 19.533 15.128 15.784 1.00 19.64 C ATOM 767 O CYS A 793 20.382 16.007 15.470 1.00 21.46 O ATOM 768 CB CYS A 793 17.737 14.610 14.121 1.00 26.90 C ATOM 769 SG CYS A 793 16.351 14.902 15.225 1.00 25.74 S ATOM 0 H CYS A 793 18.095 12.439 15.107 1.00 19.53 H new ATOM 0 HA CYS A 793 19.759 14.068 14.126 1.00 21.60 H new ATOM 0 HB2 CYS A 793 17.924 15.433 13.643 1.00 26.90 H new ATOM 0 HB3 CYS A 793 17.466 13.954 13.460 1.00 26.90 H new ATOM 0 HG CYS A 793 15.748 13.878 15.391 1.00 25.74 H new ATOM 770 N PHE A 794 19.115 14.972 17.044 1.00 19.01 N ATOM 771 CA PHE A 794 19.485 15.912 18.096 1.00 18.46 C ATOM 772 C PHE A 794 20.945 15.845 18.486 1.00 20.69 C ATOM 773 O PHE A 794 21.505 16.805 19.028 1.00 21.98 O ATOM 774 CB PHE A 794 18.625 15.671 19.351 1.00 19.65 C ATOM 775 CG PHE A 794 17.172 16.011 19.149 1.00 18.59 C ATOM 776 CD1 PHE A 794 16.800 17.340 18.994 1.00 20.44 C ATOM 777 CD2 PHE A 794 16.209 15.014 19.196 1.00 22.21 C ATOM 778 CE1 PHE A 794 15.424 17.652 18.840 1.00 19.79 C ATOM 779 CE2 PHE A 794 14.813 15.313 19.003 1.00 21.92 C ATOM 780 CZ PHE A 794 14.466 16.690 18.835 1.00 20.38 C ATOM 0 H PHE A 794 18.614 14.324 17.307 1.00 19.01 H new ATOM 0 HA PHE A 794 19.325 16.795 17.729 1.00 18.46 H new ATOM 0 HB2 PHE A 794 18.700 14.740 19.613 1.00 19.65 H new ATOM 0 HB3 PHE A 794 18.976 16.201 20.083 1.00 19.65 H new ATOM 0 HD1 PHE A 794 17.441 18.014 18.991 1.00 20.44 H new ATOM 0 HD2 PHE A 794 16.469 14.136 19.355 1.00 22.21 H new ATOM 0 HE1 PHE A 794 15.171 18.541 18.740 1.00 19.79 H new ATOM 0 HE2 PHE A 794 14.169 14.643 18.988 1.00 21.92 H new ATOM 0 HZ PHE A 794 13.575 16.929 18.721 1.00 20.38 H new ATOM 781 N PHE A 795 21.552 14.677 18.179 1.00 17.70 N ATOM 782 CA PHE A 795 22.929 14.404 18.607 1.00 18.10 C ATOM 783 C PHE A 795 23.886 14.280 17.412 1.00 17.98 C ATOM 784 O PHE A 795 25.058 13.997 17.625 1.00 19.14 O ATOM 785 CB PHE A 795 22.882 13.035 19.357 1.00 18.68 C ATOM 786 CG PHE A 795 21.970 13.092 20.580 1.00 17.49 C ATOM 787 CD1 PHE A 795 22.344 13.854 21.659 1.00 19.66 C ATOM 788 CD2 PHE A 795 20.740 12.483 20.570 1.00 15.96 C ATOM 789 CE1 PHE A 795 21.504 13.955 22.752 1.00 18.79 C ATOM 790 CE2 PHE A 795 19.865 12.586 21.685 1.00 18.33 C ATOM 791 CZ PHE A 795 20.304 13.319 22.744 1.00 19.28 C ATOM 0 H PHE A 795 21.183 14.043 17.730 1.00 17.70 H new ATOM 0 HA PHE A 795 23.254 15.130 19.162 1.00 18.10 H new ATOM 0 HB2 PHE A 795 22.569 12.345 18.752 1.00 18.68 H new ATOM 0 HB3 PHE A 795 23.778 12.786 19.633 1.00 18.68 H new ATOM 0 HD1 PHE A 795 23.160 14.301 21.655 1.00 19.66 H new ATOM 0 HD2 PHE A 795 20.476 11.996 19.823 1.00 15.96 H new ATOM 0 HE1 PHE A 795 21.760 14.458 23.491 1.00 18.79 H new ATOM 0 HE2 PHE A 795 19.032 12.172 21.691 1.00 18.33 H new ATOM 0 HZ PHE A 795 19.759 13.387 23.494 1.00 19.28 H new ATOM 792 N ALA A 796 23.453 14.516 16.195 1.00 17.55 N ATOM 793 CA ALA A 796 24.300 14.347 15.044 1.00 18.60 C ATOM 794 C ALA A 796 25.335 15.357 14.796 1.00 18.27 C ATOM 795 O ALA A 796 26.511 15.060 14.516 1.00 17.84 O ATOM 796 CB ALA A 796 23.487 14.152 13.826 1.00 20.61 C ATOM 0 H ALA A 796 22.655 14.780 16.013 1.00 17.55 H new ATOM 0 HA ALA A 796 24.810 13.554 15.272 1.00 18.60 H new ATOM 0 HB1 ALA A 796 24.072 14.040 13.061 1.00 20.61 H new ATOM 0 HB2 ALA A 796 22.934 13.361 13.929 1.00 20.61 H new ATOM 0 HB3 ALA A 796 22.920 14.927 13.688 1.00 20.61 H new ATOM 797 N SER A 797 24.959 16.628 14.921 1.00 20.45 N ATOM 798 CA SER A 797 25.885 17.719 14.584 1.00 19.45 C ATOM 799 C SER A 797 26.394 18.436 15.791 1.00 19.00 C ATOM 800 O SER A 797 25.987 18.185 16.918 1.00 20.02 O ATOM 801 CB SER A 797 25.189 18.661 13.569 1.00 26.33 C ATOM 802 OG SER A 797 24.218 19.353 14.278 1.00 34.67 O ATOM 0 H SER A 797 24.184 16.882 15.195 1.00 20.45 H new ATOM 0 HA SER A 797 26.680 17.346 14.172 1.00 19.45 H new ATOM 0 HB2 SER A 797 25.828 19.273 13.171 1.00 26.33 H new ATOM 0 HB3 SER A 797 24.792 18.154 12.844 1.00 26.33 H new ATOM 0 HG SER A 797 24.470 20.145 14.398 1.00 34.67 H new ATOM 803 N GLU A 798 27.343 19.357 15.584 1.00 18.51 N ATOM 804 CA GLU A 798 28.063 19.989 16.707 1.00 18.17 C ATOM 805 C GLU A 798 27.122 20.854 17.502 1.00 21.43 C ATOM 806 O GLU A 798 26.477 21.745 16.902 1.00 23.49 O ATOM 807 CB GLU A 798 29.262 20.840 16.277 1.00 20.70 C ATOM 808 CG GLU A 798 30.122 21.364 17.359 1.00 25.70 C ATOM 809 CD GLU A 798 31.407 22.075 16.876 1.00 27.92 C ATOM 810 OE1 GLU A 798 31.634 22.222 15.638 1.00 32.67 O ATOM 811 OE2 GLU A 798 32.258 22.425 17.741 1.00 32.24 O ATOM 0 H GLU A 798 27.586 19.631 14.806 1.00 18.51 H new ATOM 0 HA GLU A 798 28.407 19.257 17.242 1.00 18.17 H new ATOM 0 HB2 GLU A 798 29.813 20.309 15.682 1.00 20.70 H new ATOM 0 HB3 GLU A 798 28.931 21.592 15.761 1.00 20.70 H new ATOM 0 HG2 GLU A 798 29.605 21.986 17.894 1.00 25.70 H new ATOM 0 HG3 GLU A 798 30.373 20.629 17.941 1.00 25.70 H new ATOM 812 N PRO A 799 27.024 20.605 18.785 1.00 21.87 N ATOM 813 CA PRO A 799 26.107 21.354 19.642 1.00 22.94 C ATOM 814 C PRO A 799 26.685 22.684 20.053 1.00 23.37 C ATOM 815 O PRO A 799 27.897 22.947 19.949 1.00 22.45 O ATOM 816 CB PRO A 799 25.997 20.454 20.870 1.00 22.45 C ATOM 817 CG PRO A 799 27.342 19.842 20.969 1.00 25.28 C ATOM 818 CD PRO A 799 27.743 19.560 19.552 1.00 24.75 C ATOM 0 HA PRO A 799 25.265 21.551 19.202 1.00 22.94 H new ATOM 0 HB2 PRO A 799 25.776 20.961 21.666 1.00 22.45 H new ATOM 0 HB3 PRO A 799 25.306 19.782 20.760 1.00 22.45 H new ATOM 0 HG2 PRO A 799 27.971 20.442 21.399 1.00 25.28 H new ATOM 0 HG3 PRO A 799 27.320 19.028 21.497 1.00 25.28 H new ATOM 0 HD2 PRO A 799 28.703 19.623 19.432 1.00 24.75 H new ATOM 0 HD3 PRO A 799 27.481 18.668 19.276 1.00 24.75 H new ATOM 819 N TYR A 800 25.775 23.541 20.547 1.00 24.48 N ATOM 820 CA TYR A 800 26.202 24.721 21.320 1.00 23.13 C ATOM 821 C TYR A 800 25.316 24.935 22.548 1.00 22.50 C ATOM 822 O TYR A 800 24.202 24.433 22.666 1.00 24.88 O ATOM 823 CB TYR A 800 26.233 25.932 20.386 1.00 26.20 C ATOM 824 CG TYR A 800 24.927 26.326 19.883 1.00 34.07 C ATOM 825 CD1 TYR A 800 24.504 25.915 18.623 1.00 37.82 C ATOM 826 CD2 TYR A 800 24.133 27.223 20.626 1.00 42.64 C ATOM 827 CE1 TYR A 800 23.271 26.342 18.117 1.00 48.18 C ATOM 828 CE2 TYR A 800 22.895 27.651 20.140 1.00 54.68 C ATOM 829 CZ TYR A 800 22.477 27.211 18.884 1.00 54.16 C ATOM 830 OH TYR A 800 21.265 27.650 18.391 1.00 69.35 O ATOM 0 H TYR A 800 24.925 23.460 20.448 1.00 24.48 H new ATOM 0 HA TYR A 800 27.096 24.583 21.670 1.00 23.13 H new ATOM 0 HB2 TYR A 800 26.627 26.682 20.858 1.00 26.20 H new ATOM 0 HB3 TYR A 800 26.812 25.734 19.634 1.00 26.20 H new ATOM 0 HD1 TYR A 800 25.043 25.354 18.114 1.00 37.82 H new ATOM 0 HD2 TYR A 800 24.436 27.533 21.449 1.00 42.64 H new ATOM 0 HE1 TYR A 800 22.980 26.054 17.282 1.00 48.18 H new ATOM 0 HE2 TYR A 800 22.359 28.219 20.645 1.00 54.68 H new ATOM 0 HH TYR A 800 20.902 28.159 18.952 1.00 69.35 H new ATOM 831 N TYR A 801 25.907 25.612 23.508 1.00 21.83 N ATOM 832 CA TYR A 801 25.413 25.663 24.869 1.00 20.67 C ATOM 833 C TYR A 801 25.275 27.114 25.419 1.00 23.35 C ATOM 834 O TYR A 801 26.265 27.687 25.915 1.00 20.72 O ATOM 835 CB TYR A 801 26.379 24.883 25.765 1.00 21.16 C ATOM 836 CG TYR A 801 26.475 23.405 25.317 1.00 20.67 C ATOM 837 CD1 TYR A 801 25.476 22.501 25.702 1.00 22.08 C ATOM 838 CD2 TYR A 801 27.526 22.968 24.524 1.00 20.95 C ATOM 839 CE1 TYR A 801 25.573 21.158 25.293 1.00 21.75 C ATOM 840 CE2 TYR A 801 27.634 21.654 24.098 1.00 21.20 C ATOM 841 CZ TYR A 801 26.626 20.762 24.501 1.00 20.20 C ATOM 842 OH TYR A 801 26.627 19.388 24.228 1.00 21.50 O ATOM 0 H TYR A 801 26.626 26.068 23.386 1.00 21.83 H new ATOM 0 HA TYR A 801 24.524 25.274 24.870 1.00 20.67 H new ATOM 0 HB2 TYR A 801 27.258 25.292 25.733 1.00 21.16 H new ATOM 0 HB3 TYR A 801 26.079 24.927 26.686 1.00 21.16 H new ATOM 0 HD1 TYR A 801 24.758 22.785 26.221 1.00 22.08 H new ATOM 0 HD2 TYR A 801 28.180 23.578 24.270 1.00 20.95 H new ATOM 0 HE1 TYR A 801 24.929 20.541 25.557 1.00 21.75 H new ATOM 0 HE2 TYR A 801 28.344 21.374 23.567 1.00 21.20 H new ATOM 0 HH TYR A 801 25.901 19.051 24.483 1.00 21.50 H new ATOM 843 N ASN A 802 24.036 27.575 25.456 1.00 21.80 N ATOM 844 CA ASN A 802 23.761 28.900 26.081 1.00 22.61 C ATOM 845 C ASN A 802 22.357 28.909 26.645 1.00 23.28 C ATOM 846 O ASN A 802 21.400 29.239 25.938 1.00 23.46 O ATOM 847 CB ASN A 802 23.941 30.022 25.079 1.00 21.66 C ATOM 848 CG ASN A 802 23.980 31.388 25.780 1.00 22.09 C ATOM 849 OD1 ASN A 802 23.835 31.426 26.985 1.00 23.00 O ATOM 850 ND2 ASN A 802 24.230 32.481 25.032 1.00 22.62 N ATOM 0 H ASN A 802 23.348 27.166 25.141 1.00 21.80 H new ATOM 0 HA ASN A 802 24.396 29.045 26.800 1.00 22.61 H new ATOM 0 HB2 ASN A 802 24.763 29.887 24.582 1.00 21.66 H new ATOM 0 HB3 ASN A 802 23.215 30.005 24.436 1.00 21.66 H new ATOM 0 HD21 ASN A 802 24.294 33.253 25.406 1.00 22.62 H new ATOM 0 HD22 ASN A 802 24.326 32.407 24.181 1.00 22.62 H new ATOM 851 N ARG A 803 22.273 28.425 27.872 1.00 24.12 N ATOM 852 CA AARG A 803 21.005 28.251 28.609 0.43 25.75 C ATOM 853 CA BARG A 803 21.008 28.228 28.603 0.57 24.78 C ATOM 854 C ARG A 803 21.201 28.814 29.981 1.00 25.11 C ATOM 855 O ARG A 803 22.193 28.537 30.660 1.00 25.59 O ATOM 856 CB AARG A 803 20.580 26.776 28.704 0.43 26.73 C ATOM 857 CB BARG A 803 20.673 26.731 28.689 0.57 24.65 C ATOM 858 CG AARG A 803 19.778 26.348 29.947 0.43 29.05 C ATOM 859 CG BARG A 803 19.397 26.312 29.424 0.57 25.80 C ATOM 860 CD AARG A 803 19.330 24.894 29.837 0.43 31.19 C ATOM 861 CD BARG A 803 19.406 24.869 29.954 0.57 29.29 C ATOM 862 NE AARG A 803 18.176 24.746 28.974 0.43 32.36 N ATOM 863 NE BARG A 803 18.029 24.608 30.310 0.57 27.76 N ATOM 864 CZ AARG A 803 16.939 24.525 29.413 0.43 30.56 C ATOM 865 CZ BARG A 803 17.463 24.344 31.467 0.57 36.28 C ATOM 866 NH1AARG A 803 16.674 24.397 30.695 0.43 31.59 N ATOM 867 NH1BARG A 803 18.133 24.103 32.567 0.57 41.64 N ATOM 868 NH2AARG A 803 15.990 24.390 28.558 0.43 23.79 N ATOM 869 NH2BARG A 803 16.130 24.231 31.474 0.57 40.37 N ATOM 0 H AARG A 803 22.963 28.178 28.322 0.43 24.12 H new ATOM 0 H BARG A 803 22.965 28.192 28.326 0.57 24.12 H new ATOM 0 HA AARG A 803 20.297 28.712 28.133 0.43 24.78 H new ATOM 0 HA BARG A 803 20.270 28.663 28.148 0.57 24.78 H new ATOM 0 HB2AARG A 803 20.051 26.565 27.919 0.43 24.65 H new ATOM 0 HB2BARG A 803 20.619 26.388 27.783 0.57 24.65 H new ATOM 0 HB3AARG A 803 21.381 26.230 28.661 0.43 24.65 H new ATOM 0 HB3BARG A 803 21.421 26.285 29.117 0.57 24.65 H new ATOM 0 HG2AARG A 803 20.322 26.463 30.742 0.43 25.80 H new ATOM 0 HG2BARG A 803 19.254 26.916 30.169 0.57 25.80 H new ATOM 0 HG3AARG A 803 19.003 26.922 30.049 0.43 25.80 H new ATOM 0 HG3BARG A 803 18.643 26.418 28.824 0.57 25.80 H new ATOM 0 HD2AARG A 803 20.061 24.356 29.494 0.43 29.29 H new ATOM 0 HD2BARG A 803 19.721 24.247 29.280 0.57 29.29 H new ATOM 0 HD3AARG A 803 19.118 24.554 30.720 0.43 29.29 H new ATOM 0 HD3BARG A 803 19.993 24.778 30.721 0.57 29.29 H new ATOM 0 HE AARG A 803 18.298 24.805 28.125 0.43 27.76 H new ATOM 0 HE BARG A 803 17.483 24.629 29.646 0.57 27.76 H new ATOM 0 HH11AARG A 803 17.308 24.456 31.273 0.43 41.64 H new ATOM 0 HH11BARG A 803 18.993 24.112 32.557 0.57 41.64 H new ATOM 0 HH12AARG A 803 15.867 24.255 30.955 0.43 41.64 H new ATOM 0 HH12BARG A 803 17.713 23.936 33.298 0.57 41.64 H new ATOM 0 HH21AARG A 803 16.159 24.443 27.716 0.43 40.37 H new ATOM 0 HH21BARG A 803 15.686 24.330 30.744 0.57 40.37 H new ATOM 0 HH22AARG A 803 15.186 24.247 28.827 0.43 40.37 H new ATOM 0 HH22BARG A 803 15.717 24.059 32.208 0.57 40.37 H new ATOM 870 N GLU A 804 20.244 29.636 30.420 1.00 26.82 N ATOM 871 CA GLU A 804 20.338 30.204 31.769 1.00 31.23 C ATOM 872 C GLU A 804 20.391 29.093 32.827 1.00 29.87 C ATOM 873 O GLU A 804 19.643 28.141 32.753 1.00 31.74 O ATOM 874 CB GLU A 804 19.104 31.121 31.985 1.00 38.00 C ATOM 875 CG GLU A 804 19.151 31.932 33.265 1.00 53.32 C ATOM 876 CD GLU A 804 17.870 32.749 33.489 1.00 62.90 C ATOM 877 OE1 GLU A 804 17.175 33.112 32.487 1.00 60.83 O ATOM 878 OE2 GLU A 804 17.563 33.000 34.686 1.00 71.77 O ATOM 0 H GLU A 804 19.551 29.872 29.968 1.00 26.82 H new ATOM 0 HA GLU A 804 21.155 30.719 31.860 1.00 31.23 H new ATOM 0 HB2 GLU A 804 19.028 31.728 31.232 1.00 38.00 H new ATOM 0 HB3 GLU A 804 18.303 30.573 31.990 1.00 38.00 H new ATOM 0 HG2 GLU A 804 19.287 31.336 34.018 1.00 53.32 H new ATOM 0 HG3 GLU A 804 19.913 32.532 33.237 1.00 53.32 H new ATOM 879 N GLY A 805 21.330 29.165 33.742 1.00 30.74 N ATOM 880 CA GLY A 805 21.436 28.207 34.838 1.00 33.39 C ATOM 881 C GLY A 805 22.234 26.947 34.507 1.00 33.17 C ATOM 882 O GLY A 805 22.419 26.098 35.371 1.00 37.23 O ATOM 0 H GLY A 805 21.936 29.776 33.752 1.00 30.74 H new ATOM 0 HA2 GLY A 805 21.849 28.647 35.597 1.00 33.39 H new ATOM 0 HA3 GLY A 805 20.543 27.947 35.112 1.00 33.39 H new ATOM 883 N SER A 806 22.790 26.849 33.285 1.00 27.48 N ATOM 884 CA SER A 806 23.614 25.691 32.902 1.00 27.52 C ATOM 885 C SER A 806 24.949 26.133 32.265 1.00 26.94 C ATOM 886 O SER A 806 25.021 27.236 31.717 1.00 29.67 O ATOM 887 CB SER A 806 22.807 24.805 31.903 1.00 32.55 C ATOM 888 OG SER A 806 21.804 24.089 32.573 1.00 37.36 O ATOM 0 H SER A 806 22.701 27.441 32.668 1.00 27.48 H new ATOM 0 HA SER A 806 23.828 25.183 33.700 1.00 27.52 H new ATOM 0 HB2 SER A 806 22.409 25.364 31.217 1.00 32.55 H new ATOM 0 HB3 SER A 806 23.406 24.188 31.454 1.00 32.55 H new ATOM 0 HG SER A 806 21.670 23.359 32.179 1.00 37.36 H new ATOM 889 N GLN A 807 25.988 25.294 32.409 1.00 27.89 N ATOM 890 CA GLN A 807 27.243 25.540 31.750 1.00 30.83 C ATOM 891 C GLN A 807 27.445 24.377 30.735 1.00 26.62 C ATOM 892 O GLN A 807 27.114 23.217 31.071 1.00 28.60 O ATOM 893 CB GLN A 807 28.389 25.599 32.770 1.00 39.24 C ATOM 894 CG GLN A 807 28.669 26.966 33.386 1.00 51.33 C ATOM 895 CD GLN A 807 29.202 27.989 32.378 1.00 66.58 C ATOM 896 OE1 GLN A 807 29.914 27.633 31.434 1.00 61.48 O ATOM 897 NE2 GLN A 807 28.830 29.275 32.564 1.00 77.87 N ATOM 0 H GLN A 807 25.969 24.580 32.888 1.00 27.89 H new ATOM 0 HA GLN A 807 27.239 26.395 31.293 1.00 30.83 H new ATOM 0 HB2 GLN A 807 28.192 24.976 33.487 1.00 39.24 H new ATOM 0 HB3 GLN A 807 29.199 25.287 32.337 1.00 39.24 H new ATOM 0 HG2 GLN A 807 27.853 27.308 33.783 1.00 51.33 H new ATOM 0 HG3 GLN A 807 29.313 26.864 34.104 1.00 51.33 H new ATOM 0 HE21 GLN A 807 28.333 29.486 33.233 1.00 77.87 H new ATOM 0 HE22 GLN A 807 29.090 29.882 32.013 1.00 77.87 H new ATOM 898 N GLY A 808 28.048 24.682 29.586 1.00 27.14 N ATOM 899 CA GLY A 808 28.343 23.626 28.609 1.00 28.37 C ATOM 900 C GLY A 808 29.325 22.583 29.160 1.00 24.98 C ATOM 901 O GLY A 808 30.086 22.848 30.071 1.00 28.42 O ATOM 0 H GLY A 808 28.291 25.474 29.354 1.00 27.14 H new ATOM 0 HA2 GLY A 808 27.518 23.186 28.352 1.00 28.37 H new ATOM 0 HA3 GLY A 808 28.714 24.025 27.806 1.00 28.37 H new ATOM 902 N PRO A 809 29.320 21.387 28.547 1.00 22.03 N ATOM 903 CA PRO A 809 30.247 20.308 28.916 1.00 23.45 C ATOM 904 C PRO A 809 31.674 20.685 28.600 1.00 24.34 C ATOM 905 O PRO A 809 31.970 21.337 27.590 1.00 24.85 O ATOM 906 CB PRO A 809 29.735 19.123 28.065 1.00 23.00 C ATOM 907 CG PRO A 809 29.141 19.745 26.889 1.00 25.40 C ATOM 908 CD PRO A 809 28.454 21.004 27.460 1.00 22.86 C ATOM 0 HA PRO A 809 30.263 20.104 29.864 1.00 23.45 H new ATOM 0 HB2 PRO A 809 30.459 18.526 27.820 1.00 23.00 H new ATOM 0 HB3 PRO A 809 29.083 18.595 28.552 1.00 23.00 H new ATOM 0 HG2 PRO A 809 29.813 19.973 26.227 1.00 25.40 H new ATOM 0 HG3 PRO A 809 28.504 19.155 26.456 1.00 25.40 H new ATOM 0 HD2 PRO A 809 28.382 21.706 26.795 1.00 22.86 H new ATOM 0 HD3 PRO A 809 27.555 20.813 27.769 1.00 22.86 H new ATOM 909 N GLN A 810 32.592 20.128 29.407 1.00 26.32 N ATOM 910 CA GLN A 810 34.006 20.338 29.145 1.00 28.56 C ATOM 911 C GLN A 810 34.487 19.682 27.874 1.00 28.16 C ATOM 912 O GLN A 810 35.462 20.191 27.252 1.00 31.62 O ATOM 913 CB GLN A 810 34.859 19.781 30.263 1.00 33.58 C ATOM 914 CG GLN A 810 34.515 20.296 31.644 1.00 45.98 C ATOM 915 CD GLN A 810 34.944 21.727 31.825 1.00 55.18 C ATOM 916 OE1 GLN A 810 36.043 22.126 31.436 1.00 63.83 O ATOM 917 NE2 GLN A 810 34.068 22.518 32.427 1.00 65.26 N ATOM 0 H GLN A 810 32.414 19.639 30.092 1.00 26.32 H new ATOM 0 HA GLN A 810 34.098 21.300 29.067 1.00 28.56 H new ATOM 0 HB2 GLN A 810 34.778 18.814 30.263 1.00 33.58 H new ATOM 0 HB3 GLN A 810 35.788 19.988 30.077 1.00 33.58 H new ATOM 0 HG2 GLN A 810 33.558 20.224 31.788 1.00 45.98 H new ATOM 0 HG3 GLN A 810 34.945 19.741 32.313 1.00 45.98 H new ATOM 0 HE21 GLN A 810 33.310 22.203 32.685 1.00 65.26 H new ATOM 0 HE22 GLN A 810 34.257 23.346 32.560 1.00 65.26 H new ATOM 918 N LYS A 811 33.833 18.556 27.496 1.00 24.96 N ATOM 919 CA LYS A 811 34.199 17.857 26.277 1.00 24.24 C ATOM 920 C LYS A 811 33.016 17.548 25.408 1.00 20.12 C ATOM 921 O LYS A 811 32.384 16.463 25.541 1.00 21.15 O ATOM 922 CB LYS A 811 34.961 16.607 26.625 1.00 26.91 C ATOM 923 CG LYS A 811 35.587 15.933 25.373 1.00 31.11 C ATOM 924 CD LYS A 811 36.340 14.647 25.733 1.00 35.96 C ATOM 925 CE LYS A 811 36.768 13.850 24.523 1.00 38.46 C ATOM 926 NZ LYS A 811 37.346 12.531 24.998 1.00 44.43 N ATOM 0 H LYS A 811 33.186 18.199 27.936 1.00 24.96 H new ATOM 0 HA LYS A 811 34.766 18.446 25.755 1.00 24.24 H new ATOM 0 HB2 LYS A 811 35.663 16.824 27.258 1.00 26.91 H new ATOM 0 HB3 LYS A 811 34.366 15.979 27.065 1.00 26.91 H new ATOM 0 HG2 LYS A 811 34.888 15.729 24.732 1.00 31.11 H new ATOM 0 HG3 LYS A 811 36.195 16.554 24.942 1.00 31.11 H new ATOM 0 HD2 LYS A 811 37.124 14.874 26.257 1.00 35.96 H new ATOM 0 HD3 LYS A 811 35.774 14.094 26.294 1.00 35.96 H new ATOM 0 HE2 LYS A 811 36.011 13.695 23.936 1.00 38.46 H new ATOM 0 HE3 LYS A 811 37.428 14.343 24.011 1.00 38.46 H new ATOM 0 HZ1 LYS A 811 37.890 12.203 24.374 1.00 44.43 H new ATOM 0 HZ2 LYS A 811 37.803 12.661 25.751 1.00 44.43 H new ATOM 0 HZ3 LYS A 811 36.685 11.954 25.148 1.00 44.43 H new ATOM 927 N PRO A 812 32.621 18.495 24.546 1.00 22.53 N ATOM 928 CA PRO A 812 31.484 18.230 23.705 1.00 22.07 C ATOM 929 C PRO A 812 31.734 17.064 22.754 1.00 21.22 C ATOM 930 O PRO A 812 32.901 16.748 22.431 1.00 22.36 O ATOM 931 CB PRO A 812 31.343 19.540 22.867 1.00 22.37 C ATOM 932 CG PRO A 812 32.001 20.603 23.774 1.00 21.60 C ATOM 933 CD PRO A 812 33.158 19.869 24.390 1.00 22.38 C ATOM 0 HA PRO A 812 30.701 17.995 24.227 1.00 22.07 H new ATOM 0 HB2 PRO A 812 31.794 19.469 22.011 1.00 22.37 H new ATOM 0 HB3 PRO A 812 30.414 19.750 22.682 1.00 22.37 H new ATOM 0 HG2 PRO A 812 32.297 21.374 23.265 1.00 21.60 H new ATOM 0 HG3 PRO A 812 31.384 20.929 24.448 1.00 21.60 H new ATOM 0 HD2 PRO A 812 33.942 19.887 23.819 1.00 22.38 H new ATOM 0 HD3 PRO A 812 33.418 20.254 25.242 1.00 22.38 H new ATOM 934 N MET A 813 30.677 16.365 22.375 1.00 19.63 N ATOM 935 CA MET A 813 30.762 15.223 21.538 1.00 18.70 C ATOM 936 C MET A 813 29.455 15.038 20.777 1.00 17.78 C ATOM 937 O MET A 813 28.352 15.458 21.253 1.00 16.72 O ATOM 938 CB MET A 813 31.053 13.958 22.404 1.00 18.47 C ATOM 939 CG MET A 813 31.430 12.655 21.637 1.00 20.32 C ATOM 940 SD MET A 813 32.744 12.804 20.432 1.00 20.41 S ATOM 941 CE MET A 813 34.028 13.344 21.499 1.00 24.22 C ATOM 0 H MET A 813 29.874 16.560 22.613 1.00 19.63 H new ATOM 0 HA MET A 813 31.483 15.348 20.901 1.00 18.70 H new ATOM 0 HB2 MET A 813 31.776 14.169 23.015 1.00 18.47 H new ATOM 0 HB3 MET A 813 30.269 13.775 22.945 1.00 18.47 H new ATOM 0 HG2 MET A 813 31.686 11.982 22.286 1.00 20.32 H new ATOM 0 HG3 MET A 813 30.637 12.326 21.185 1.00 20.32 H new ATOM 0 HE1 MET A 813 34.880 13.281 21.039 1.00 24.22 H new ATOM 0 HE2 MET A 813 33.868 14.265 21.757 1.00 24.22 H new ATOM 0 HE3 MET A 813 34.047 12.785 22.292 1.00 24.22 H new ATOM 942 N TRP A 814 29.529 14.514 19.571 1.00 16.03 N ATOM 943 CA TRP A 814 28.412 14.376 18.695 1.00 16.38 C ATOM 944 C TRP A 814 28.600 13.239 17.737 1.00 15.12 C ATOM 945 O TRP A 814 29.782 12.802 17.485 1.00 15.33 O ATOM 946 CB TRP A 814 28.063 15.740 17.994 1.00 14.56 C ATOM 947 CG TRP A 814 29.156 16.375 17.137 1.00 15.96 C ATOM 948 CD1 TRP A 814 29.242 16.302 15.798 1.00 17.09 C ATOM 949 CD2 TRP A 814 30.212 17.153 17.568 1.00 17.05 C ATOM 950 NE1 TRP A 814 30.311 17.002 15.379 1.00 19.59 N ATOM 951 CE2 TRP A 814 30.910 17.563 16.444 1.00 18.67 C ATOM 952 CE3 TRP A 814 30.655 17.575 18.836 1.00 19.27 C ATOM 953 CZ2 TRP A 814 32.048 18.348 16.535 1.00 18.80 C ATOM 954 CZ3 TRP A 814 31.814 18.390 18.915 1.00 22.92 C ATOM 955 CH2 TRP A 814 32.494 18.714 17.757 1.00 21.81 C ATOM 0 H TRP A 814 30.264 14.220 19.235 1.00 16.03 H new ATOM 0 HA TRP A 814 27.635 14.144 19.227 1.00 16.38 H new ATOM 0 HB2 TRP A 814 27.283 15.601 17.434 1.00 14.56 H new ATOM 0 HB3 TRP A 814 27.810 16.376 18.681 1.00 14.56 H new ATOM 0 HD1 TRP A 814 28.653 15.839 15.246 1.00 17.09 H new ATOM 0 HE1 TRP A 814 30.570 17.078 14.562 1.00 19.59 H new ATOM 0 HE3 TRP A 814 30.197 17.325 19.606 1.00 19.27 H new ATOM 0 HZ2 TRP A 814 32.498 18.619 15.767 1.00 18.80 H new ATOM 0 HZ3 TRP A 814 32.113 18.703 19.738 1.00 22.92 H new ATOM 0 HH2 TRP A 814 33.284 19.200 17.820 1.00 21.81 H new ATOM 956 N LEU A 815 27.530 12.770 17.125 1.00 15.16 N ATOM 957 CA LEU A 815 27.591 11.559 16.271 1.00 16.13 C ATOM 958 C LEU A 815 28.517 11.709 15.090 1.00 16.37 C ATOM 959 O LEU A 815 29.328 10.816 14.781 1.00 16.58 O ATOM 960 CB LEU A 815 26.262 11.008 15.833 1.00 16.50 C ATOM 961 CG LEU A 815 25.304 10.585 17.001 1.00 16.83 C ATOM 962 CD1 LEU A 815 23.920 10.341 16.476 1.00 17.75 C ATOM 963 CD2 LEU A 815 25.771 9.298 17.753 1.00 18.12 C ATOM 0 H LEU A 815 26.750 13.127 17.181 1.00 15.16 H new ATOM 0 HA LEU A 815 27.966 10.896 16.872 1.00 16.13 H new ATOM 0 HB2 LEU A 815 25.813 11.675 15.290 1.00 16.50 H new ATOM 0 HB3 LEU A 815 26.418 10.237 15.265 1.00 16.50 H new ATOM 0 HG LEU A 815 25.317 11.322 17.631 1.00 16.83 H new ATOM 0 HD11 LEU A 815 23.338 10.080 17.207 1.00 17.75 H new ATOM 0 HD12 LEU A 815 23.581 11.153 16.067 1.00 17.75 H new ATOM 0 HD13 LEU A 815 23.945 9.632 15.815 1.00 17.75 H new ATOM 0 HD21 LEU A 815 25.141 9.089 18.460 1.00 18.12 H new ATOM 0 HD22 LEU A 815 25.814 8.556 17.129 1.00 18.12 H new ATOM 0 HD23 LEU A 815 26.649 9.448 18.137 1.00 18.12 H new ATOM 964 N ASN A 816 28.423 12.840 14.414 1.00 16.40 N ATOM 965 CA ASN A 816 29.274 13.051 13.222 1.00 20.14 C ATOM 966 C ASN A 816 30.748 13.082 13.554 1.00 16.86 C ATOM 967 O ASN A 816 31.514 12.706 12.723 1.00 20.03 O ATOM 968 CB ASN A 816 28.840 14.294 12.449 1.00 21.11 C ATOM 969 CG ASN A 816 27.432 14.183 11.809 1.00 23.76 C ATOM 970 OD1 ASN A 816 26.782 13.145 11.671 1.00 22.52 O ATOM 971 ND2 ASN A 816 26.902 15.382 11.387 1.00 24.99 N ATOM 0 H ASN A 816 27.894 13.489 14.609 1.00 16.40 H new ATOM 0 HA ASN A 816 29.145 12.282 12.645 1.00 20.14 H new ATOM 0 HB2 ASN A 816 28.853 15.057 13.048 1.00 21.11 H new ATOM 0 HB3 ASN A 816 29.489 14.471 11.750 1.00 21.11 H new ATOM 0 HD21 ASN A 816 26.120 15.404 11.029 1.00 24.99 H new ATOM 0 HD22 ASN A 816 27.353 16.108 11.482 1.00 24.99 H new ATOM 972 N LYS A 817 31.127 13.528 14.727 1.00 17.04 N ATOM 973 CA LYS A 817 32.475 13.519 15.216 1.00 19.43 C ATOM 974 C LYS A 817 32.933 12.055 15.408 1.00 18.60 C ATOM 975 O LYS A 817 34.074 11.726 15.021 1.00 18.46 O ATOM 976 CB LYS A 817 32.660 14.337 16.455 1.00 17.96 C ATOM 977 CG LYS A 817 34.063 14.466 16.953 1.00 24.52 C ATOM 978 CD LYS A 817 34.080 15.447 18.118 1.00 27.64 C ATOM 979 CE LYS A 817 35.433 15.568 18.794 1.00 39.69 C ATOM 980 NZ LYS A 817 36.358 16.144 17.819 1.00 45.85 N ATOM 0 H LYS A 817 30.571 13.863 15.291 1.00 17.04 H new ATOM 0 HA LYS A 817 33.039 13.946 14.553 1.00 19.43 H new ATOM 0 HB2 LYS A 817 32.312 15.227 16.288 1.00 17.96 H new ATOM 0 HB3 LYS A 817 32.120 13.949 17.161 1.00 17.96 H new ATOM 0 HG2 LYS A 817 34.400 13.602 17.236 1.00 24.52 H new ATOM 0 HG3 LYS A 817 34.645 14.778 16.242 1.00 24.52 H new ATOM 0 HD2 LYS A 817 33.808 16.321 17.798 1.00 27.64 H new ATOM 0 HD3 LYS A 817 33.423 15.168 18.775 1.00 27.64 H new ATOM 0 HE2 LYS A 817 35.372 16.131 19.582 1.00 39.69 H new ATOM 0 HE3 LYS A 817 35.746 14.699 19.090 1.00 39.69 H new ATOM 0 HZ1 LYS A 817 37.109 16.389 18.230 1.00 45.85 H new ATOM 0 HZ2 LYS A 817 36.546 15.539 17.194 1.00 45.85 H new ATOM 0 HZ3 LYS A 817 35.983 16.856 17.438 1.00 45.85 H new ATOM 981 N VAL A 818 32.075 11.262 16.028 1.00 17.17 N ATOM 982 CA VAL A 818 32.406 9.824 16.260 1.00 16.69 C ATOM 983 C VAL A 818 32.542 9.169 14.926 1.00 19.24 C ATOM 984 O VAL A 818 33.460 8.320 14.690 1.00 18.20 O ATOM 985 CB VAL A 818 31.370 9.133 17.171 1.00 16.27 C ATOM 986 CG1 VAL A 818 31.698 7.628 17.230 1.00 18.47 C ATOM 987 CG2 VAL A 818 31.348 9.744 18.531 1.00 17.88 C ATOM 0 H VAL A 818 31.307 11.510 16.324 1.00 17.17 H new ATOM 0 HA VAL A 818 33.245 9.745 16.740 1.00 16.69 H new ATOM 0 HB VAL A 818 30.481 9.254 16.803 1.00 16.27 H new ATOM 0 HG11 VAL A 818 31.055 7.178 17.800 1.00 18.47 H new ATOM 0 HG12 VAL A 818 31.656 7.252 16.337 1.00 18.47 H new ATOM 0 HG13 VAL A 818 32.590 7.505 17.591 1.00 18.47 H new ATOM 0 HG21 VAL A 818 30.689 9.290 19.079 1.00 17.88 H new ATOM 0 HG22 VAL A 818 32.223 9.657 18.939 1.00 17.88 H new ATOM 0 HG23 VAL A 818 31.117 10.683 18.460 1.00 17.88 H new ATOM 988 N LYS A 819 31.656 9.450 13.951 1.00 16.61 N ATOM 989 CA LYS A 819 31.743 8.934 12.640 1.00 18.92 C ATOM 990 C LYS A 819 33.118 9.298 11.952 1.00 17.57 C ATOM 991 O LYS A 819 33.740 8.423 11.380 1.00 21.67 O ATOM 992 CB LYS A 819 30.599 9.436 11.752 1.00 19.24 C ATOM 993 CG LYS A 819 30.553 8.894 10.363 1.00 22.02 C ATOM 994 CD LYS A 819 29.374 9.379 9.526 1.00 26.48 C ATOM 995 CE LYS A 819 28.144 8.577 9.752 1.00 28.43 C ATOM 996 NZ LYS A 819 27.071 8.867 8.745 1.00 30.83 N ATOM 0 H LYS A 819 30.978 9.966 14.071 1.00 16.61 H new ATOM 0 HA LYS A 819 31.678 7.970 12.730 1.00 18.92 H new ATOM 0 HB2 LYS A 819 29.759 9.225 12.189 1.00 19.24 H new ATOM 0 HB3 LYS A 819 30.656 10.403 11.700 1.00 19.24 H new ATOM 0 HG2 LYS A 819 31.376 9.133 9.909 1.00 22.02 H new ATOM 0 HG3 LYS A 819 30.525 7.925 10.408 1.00 22.02 H new ATOM 0 HD2 LYS A 819 29.193 10.308 9.736 1.00 26.48 H new ATOM 0 HD3 LYS A 819 29.612 9.342 8.586 1.00 26.48 H new ATOM 0 HE2 LYS A 819 28.367 7.634 9.719 1.00 28.43 H new ATOM 0 HE3 LYS A 819 27.804 8.757 10.642 1.00 28.43 H new ATOM 0 HZ1 LYS A 819 26.373 8.335 8.893 1.00 30.83 H new ATOM 0 HZ2 LYS A 819 26.817 9.717 8.818 1.00 30.83 H new ATOM 0 HZ3 LYS A 819 27.386 8.722 7.925 1.00 30.83 H new ATOM 997 N THR A 820 33.511 10.538 12.024 1.00 18.64 N ATOM 998 CA THR A 820 34.811 10.938 11.503 1.00 20.24 C ATOM 999 C THR A 820 35.942 10.161 12.163 1.00 21.24 C ATOM 1000 O THR A 820 36.900 9.703 11.510 1.00 23.77 O ATOM 1001 CB THR A 820 34.952 12.420 11.557 1.00 24.52 C ATOM 1002 OG1 THR A 820 33.955 12.855 10.637 1.00 26.49 O ATOM 1003 CG2 THR A 820 36.364 12.802 11.097 1.00 27.46 C ATOM 0 H THR A 820 33.048 11.175 12.369 1.00 18.64 H new ATOM 0 HA THR A 820 34.873 10.700 10.565 1.00 20.24 H new ATOM 0 HB THR A 820 34.839 12.814 12.436 1.00 24.52 H new ATOM 0 HG1 THR A 820 33.240 13.010 11.050 1.00 26.49 H new ATOM 0 HG21 THR A 820 36.465 13.766 11.129 1.00 27.46 H new ATOM 0 HG22 THR A 820 37.018 12.389 11.682 1.00 27.46 H new ATOM 0 HG23 THR A 820 36.503 12.493 10.188 1.00 27.46 H new ATOM 1004 N SER A 821 35.855 10.070 13.474 1.00 19.29 N ATOM 1005 CA SER A 821 36.890 9.401 14.279 1.00 21.40 C ATOM 1006 C SER A 821 37.019 7.936 13.873 1.00 19.68 C ATOM 1007 O SER A 821 38.138 7.413 13.696 1.00 21.42 O ATOM 1008 CB SER A 821 36.634 9.547 15.784 1.00 22.20 C ATOM 1009 OG SER A 821 36.685 10.941 16.193 1.00 23.94 O ATOM 0 H SER A 821 35.202 10.389 13.933 1.00 19.29 H new ATOM 0 HA SER A 821 37.735 9.842 14.098 1.00 21.40 H new ATOM 0 HB2 SER A 821 35.766 9.174 16.005 1.00 22.20 H new ATOM 0 HB3 SER A 821 37.296 9.038 16.278 1.00 22.20 H new ATOM 0 HG SER A 821 35.985 11.332 15.943 1.00 23.94 H new ATOM 1010 N LEU A 822 35.905 7.262 13.683 1.00 19.82 N ATOM 1011 CA LEU A 822 35.938 5.905 13.078 1.00 21.14 C ATOM 1012 C LEU A 822 36.539 5.795 11.725 1.00 22.84 C ATOM 1013 O LEU A 822 37.387 4.888 11.421 1.00 24.25 O ATOM 1014 CB LEU A 822 34.535 5.263 13.053 1.00 22.36 C ATOM 1015 CG LEU A 822 34.054 4.580 14.254 1.00 24.53 C ATOM 1016 CD1 LEU A 822 32.609 4.089 13.948 1.00 23.27 C ATOM 1017 CD2 LEU A 822 34.885 3.327 14.700 1.00 20.73 C ATOM 0 H LEU A 822 35.121 7.549 13.887 1.00 19.82 H new ATOM 0 HA LEU A 822 36.537 5.424 13.670 1.00 21.14 H new ATOM 0 HB2 LEU A 822 33.896 5.960 12.835 1.00 22.36 H new ATOM 0 HB3 LEU A 822 34.517 4.624 12.324 1.00 22.36 H new ATOM 0 HG LEU A 822 34.123 5.221 14.979 1.00 24.53 H new ATOM 0 HD11 LEU A 822 32.252 3.628 14.724 1.00 23.27 H new ATOM 0 HD12 LEU A 822 32.046 4.850 13.738 1.00 23.27 H new ATOM 0 HD13 LEU A 822 32.627 3.482 13.192 1.00 23.27 H new ATOM 0 HD21 LEU A 822 34.491 2.945 15.500 1.00 20.73 H new ATOM 0 HD22 LEU A 822 34.880 2.666 13.990 1.00 20.73 H new ATOM 0 HD23 LEU A 822 35.799 3.594 14.886 1.00 20.73 H new ATOM 1018 N ASN A 823 36.131 6.682 10.843 1.00 25.13 N ATOM 1019 CA ASN A 823 36.607 6.722 9.460 1.00 25.61 C ATOM 1020 C ASN A 823 38.095 6.945 9.438 1.00 26.52 C ATOM 1021 O ASN A 823 38.772 6.346 8.560 1.00 31.95 O ATOM 1022 CB ASN A 823 35.885 7.800 8.658 1.00 29.69 C ATOM 1023 CG ASN A 823 36.421 7.960 7.210 1.00 35.37 C ATOM 1024 OD1 ASN A 823 36.910 9.028 6.820 1.00 49.08 O ATOM 1025 ND2 ASN A 823 36.293 6.941 6.446 1.00 30.65 N ATOM 0 H ASN A 823 35.557 7.295 11.027 1.00 25.13 H new ATOM 0 HA ASN A 823 36.411 5.869 9.043 1.00 25.61 H new ATOM 0 HB2 ASN A 823 34.939 7.588 8.623 1.00 29.69 H new ATOM 0 HB3 ASN A 823 35.969 8.648 9.121 1.00 29.69 H new ATOM 0 HD21 ASN A 823 36.552 6.983 5.627 1.00 30.65 H new ATOM 0 HD22 ASN A 823 35.948 6.215 6.752 1.00 30.65 H new ATOM 1026 N GLU A 824 38.635 7.729 10.365 1.00 23.98 N ATOM 1027 CA GLU A 824 40.037 8.144 10.334 1.00 24.88 C ATOM 1028 C GLU A 824 40.886 7.130 11.189 1.00 27.62 C ATOM 1029 O GLU A 824 42.046 7.374 11.405 1.00 27.32 O ATOM 1030 CB GLU A 824 40.191 9.608 10.795 1.00 27.85 C ATOM 1031 CG GLU A 824 39.672 10.566 9.675 1.00 34.16 C ATOM 1032 CD GLU A 824 39.628 12.089 9.979 1.00 58.28 C ATOM 1033 OE1 GLU A 824 40.195 12.549 11.012 1.00 67.70 O ATOM 1034 OE2 GLU A 824 39.023 12.861 9.147 1.00 71.69 O ATOM 0 H GLU A 824 38.196 8.039 11.036 1.00 23.98 H new ATOM 0 HA GLU A 824 40.374 8.121 9.425 1.00 24.88 H new ATOM 0 HB2 GLU A 824 39.693 9.753 11.614 1.00 27.85 H new ATOM 0 HB3 GLU A 824 41.122 9.799 10.991 1.00 27.85 H new ATOM 0 HG2 GLU A 824 40.228 10.436 8.891 1.00 34.16 H new ATOM 0 HG3 GLU A 824 38.775 10.285 9.436 1.00 34.16 H new ATOM 1035 N GLN A 825 40.278 6.037 11.652 1.00 23.13 N ATOM 1036 CA GLN A 825 40.948 4.991 12.518 1.00 24.39 C ATOM 1037 C GLN A 825 41.576 5.620 13.751 1.00 28.17 C ATOM 1038 O GLN A 825 42.671 5.272 14.111 1.00 28.84 O ATOM 1039 CB GLN A 825 41.961 4.183 11.681 1.00 26.70 C ATOM 1040 CG GLN A 825 41.303 3.449 10.529 1.00 28.18 C ATOM 1041 CD GLN A 825 42.250 3.000 9.406 1.00 28.65 C ATOM 1042 OE1 GLN A 825 42.981 3.805 8.847 1.00 33.03 O ATOM 1043 NE2 GLN A 825 42.077 1.776 8.976 1.00 29.83 N ATOM 0 H GLN A 825 39.454 5.859 11.483 1.00 23.13 H new ATOM 0 HA GLN A 825 40.277 4.370 12.842 1.00 24.39 H new ATOM 0 HB2 GLN A 825 42.641 4.782 11.334 1.00 26.70 H new ATOM 0 HB3 GLN A 825 42.412 3.543 12.253 1.00 26.70 H new ATOM 0 HG2 GLN A 825 40.849 2.667 10.881 1.00 28.18 H new ATOM 0 HG3 GLN A 825 40.622 4.024 10.146 1.00 28.18 H new ATOM 0 HE21 GLN A 825 41.553 1.241 9.400 1.00 29.83 H new ATOM 0 HE22 GLN A 825 42.487 1.506 8.270 1.00 29.83 H new ATOM 1044 N MET A 826 40.885 6.504 14.465 1.00 21.81 N ATOM 1045 CA AMET A 826 41.411 7.177 15.606 0.53 22.52 C ATOM 1046 CA BMET A 826 41.414 7.198 15.605 0.47 23.09 C ATOM 1047 C MET A 826 41.212 6.391 16.900 1.00 22.54 C ATOM 1048 O MET A 826 41.737 6.747 17.937 1.00 27.18 O ATOM 1049 CB AMET A 826 40.766 8.562 15.786 0.53 28.48 C ATOM 1050 CB BMET A 826 40.778 8.607 15.793 0.47 29.44 C ATOM 1051 CG AMET A 826 41.027 9.472 14.601 0.53 30.39 C ATOM 1052 CG BMET A 826 40.986 9.587 14.630 0.47 33.16 C ATOM 1053 SD AMET A 826 42.721 10.036 14.482 0.53 36.82 S ATOM 1054 SD BMET A 826 40.464 11.282 15.072 0.47 40.35 S ATOM 1055 CE AMET A 826 42.963 10.872 16.040 0.53 33.77 C ATOM 1056 CE BMET A 826 39.781 12.000 13.593 0.47 41.24 C ATOM 0 H AMET A 826 40.074 6.724 14.280 0.53 21.81 H new ATOM 0 H BMET A 826 40.071 6.715 14.284 0.47 21.81 H new ATOM 0 HA AMET A 826 42.362 7.267 15.436 0.53 23.09 H new ATOM 0 HA BMET A 826 42.362 7.305 15.430 0.47 23.09 H new ATOM 0 HB2AMET A 826 39.809 8.458 15.908 0.53 29.44 H new ATOM 0 HB2BMET A 826 39.825 8.498 15.937 0.47 29.44 H new ATOM 0 HB3AMET A 826 41.112 8.976 16.592 0.53 29.44 H new ATOM 0 HB3BMET A 826 41.143 9.004 16.599 0.47 29.44 H new ATOM 0 HG2AMET A 826 40.794 9.002 13.785 0.53 33.16 H new ATOM 0 HG2BMET A 826 41.922 9.593 14.375 0.47 33.16 H new ATOM 0 HG3AMET A 826 40.442 10.243 14.661 0.53 33.16 H new ATOM 0 HG3BMET A 826 40.483 9.284 13.858 0.47 33.16 H new ATOM 0 HE1AMET A 826 43.686 11.513 15.954 0.53 41.24 H new ATOM 0 HE1BMET A 826 39.097 12.645 13.832 0.47 41.24 H new ATOM 0 HE2AMET A 826 42.148 11.335 16.289 0.53 41.24 H new ATOM 0 HE2BMET A 826 40.484 12.445 13.095 0.47 41.24 H new ATOM 0 HE3AMET A 826 43.187 10.222 16.725 0.53 41.24 H new ATOM 0 HE3BMET A 826 39.389 11.302 13.045 0.47 41.24 H new ATOM 1057 N TYR A 827 40.412 5.341 16.863 1.00 22.30 N ATOM 1058 CA TYR A 827 40.169 4.529 18.090 1.00 20.29 C ATOM 1059 C TYR A 827 41.025 3.267 17.985 1.00 22.70 C ATOM 1060 O TYR A 827 40.949 2.593 16.988 1.00 26.01 O ATOM 1061 CB TYR A 827 38.737 4.112 18.303 1.00 18.89 C ATOM 1062 CG TYR A 827 37.727 5.261 18.428 1.00 18.78 C ATOM 1063 CD1 TYR A 827 37.792 6.129 19.459 1.00 20.97 C ATOM 1064 CD2 TYR A 827 36.775 5.449 17.413 1.00 19.66 C ATOM 1065 CE1 TYR A 827 36.892 7.201 19.549 1.00 19.72 C ATOM 1066 CE2 TYR A 827 35.843 6.451 17.512 1.00 20.86 C ATOM 1067 CZ TYR A 827 35.888 7.307 18.547 1.00 17.78 C ATOM 1068 OH TYR A 827 34.969 8.359 18.650 1.00 19.72 O ATOM 0 H TYR A 827 39.997 5.069 16.160 1.00 22.30 H new ATOM 0 HA TYR A 827 40.398 5.091 18.846 1.00 20.29 H new ATOM 0 HB2 TYR A 827 38.468 3.545 17.564 1.00 18.89 H new ATOM 0 HB3 TYR A 827 38.690 3.572 19.107 1.00 18.89 H new ATOM 0 HD1 TYR A 827 38.440 6.015 20.116 1.00 20.97 H new ATOM 0 HD2 TYR A 827 36.776 4.891 16.669 1.00 19.66 H new ATOM 0 HE1 TYR A 827 36.950 7.821 20.240 1.00 19.72 H new ATOM 0 HE2 TYR A 827 35.181 6.538 16.864 1.00 20.86 H new ATOM 0 HH TYR A 827 35.117 8.792 19.354 1.00 19.72 H new ATOM 1069 N THR A 828 41.836 3.032 19.006 1.00 21.71 N ATOM 1070 CA THR A 828 42.649 1.834 19.035 1.00 20.55 C ATOM 1071 C THR A 828 41.986 0.684 19.747 1.00 20.76 C ATOM 1072 O THR A 828 42.412 -0.473 19.519 1.00 21.01 O ATOM 1073 CB THR A 828 44.016 2.051 19.692 1.00 23.85 C ATOM 1074 OG1 THR A 828 43.833 2.503 21.022 1.00 25.70 O ATOM 1075 CG2 THR A 828 44.873 3.010 18.864 1.00 26.83 C ATOM 0 H THR A 828 41.928 3.551 19.686 1.00 21.71 H new ATOM 0 HA THR A 828 42.765 1.615 18.097 1.00 20.55 H new ATOM 0 HB THR A 828 44.498 1.210 19.725 1.00 23.85 H new ATOM 0 HG1 THR A 828 44.259 2.006 21.548 1.00 25.70 H new ATOM 0 HG21 THR A 828 45.732 3.133 19.297 1.00 26.83 H new ATOM 0 HG22 THR A 828 45.008 2.640 17.978 1.00 26.83 H new ATOM 0 HG23 THR A 828 44.423 3.866 18.791 1.00 26.83 H new ATOM 1076 N ARG A 829 41.001 0.950 20.617 1.00 19.22 N ATOM 1077 CA AARG A 829 40.234 -0.077 21.307 0.23 19.81 C ATOM 1078 CA BARG A 829 40.232 -0.055 21.315 0.77 20.00 C ATOM 1079 C ARG A 829 38.737 0.247 21.315 1.00 18.85 C ATOM 1080 O ARG A 829 38.341 1.393 21.198 1.00 18.29 O ATOM 1081 CB AARG A 829 40.747 -0.269 22.746 0.23 21.15 C ATOM 1082 CB BARG A 829 40.694 -0.199 22.779 0.77 22.11 C ATOM 1083 CG AARG A 829 42.121 -0.955 22.786 0.23 22.30 C ATOM 1084 CG BARG A 829 42.106 -0.860 22.852 0.77 24.78 C ATOM 1085 CD AARG A 829 42.672 -1.156 24.177 0.23 23.06 C ATOM 1086 CD BARG A 829 42.618 -0.848 24.233 0.77 25.45 C ATOM 1087 NE AARG A 829 43.744 -2.161 24.141 0.23 23.71 N ATOM 1088 NE BARG A 829 44.076 -1.125 24.257 0.77 27.08 N ATOM 1089 CZ AARG A 829 45.042 -1.907 24.016 0.23 24.92 C ATOM 1090 CZ BARG A 829 44.672 -2.320 24.327 0.77 30.45 C ATOM 1091 NH1AARG A 829 45.487 -0.663 24.005 0.23 22.47 N ATOM 1092 NH1BARG A 829 44.003 -3.505 24.412 0.77 28.64 N ATOM 1093 NH2AARG A 829 45.906 -2.916 23.937 0.23 22.92 N ATOM 1094 NH2BARG A 829 46.024 -2.308 24.277 0.77 29.20 N ATOM 0 H AARG A 829 40.762 1.750 20.821 0.23 19.22 H new ATOM 0 H BARG A 829 40.764 1.753 20.815 0.77 19.22 H new ATOM 0 HA AARG A 829 40.357 -0.906 20.819 0.23 20.00 H new ATOM 0 HA BARG A 829 40.386 -0.882 20.833 0.77 20.00 H new ATOM 0 HB2AARG A 829 40.805 0.594 23.185 0.23 22.11 H new ATOM 0 HB2BARG A 829 40.718 0.673 23.202 0.77 22.11 H new ATOM 0 HB3AARG A 829 40.108 -0.799 23.247 0.23 22.11 H new ATOM 0 HB3BARG A 829 40.055 -0.736 23.273 0.77 22.11 H new ATOM 0 HG2AARG A 829 42.053 -1.818 22.348 0.23 24.78 H new ATOM 0 HG2BARG A 829 42.057 -1.773 22.528 0.77 24.78 H new ATOM 0 HG3AARG A 829 42.751 -0.425 22.273 0.23 24.78 H new ATOM 0 HG3BARG A 829 42.720 -0.385 22.271 0.77 24.78 H new ATOM 0 HD2AARG A 829 43.014 -0.317 24.524 0.23 25.45 H new ATOM 0 HD2BARG A 829 42.442 0.015 24.640 0.77 25.45 H new ATOM 0 HD3AARG A 829 41.966 -1.444 24.776 0.23 25.45 H new ATOM 0 HD3BARG A 829 42.149 -1.513 24.762 0.77 25.45 H new ATOM 0 HE AARG A 829 43.510 -2.986 24.207 0.23 27.08 H new ATOM 0 HE BARG A 829 44.595 -0.441 24.222 0.77 27.08 H new ATOM 0 HH11AARG A 829 44.935 -0.008 24.079 0.23 28.64 H new ATOM 0 HH11BARG A 829 43.143 -3.513 24.423 0.77 28.64 H new ATOM 0 HH12AARG A 829 46.329 -0.508 23.924 0.23 28.64 H new ATOM 0 HH12BARG A 829 44.441 -4.244 24.454 0.77 28.64 H new ATOM 0 HH21AARG A 829 45.623 -3.728 23.967 0.23 29.20 H new ATOM 0 HH21BARG A 829 46.445 -1.562 24.205 0.77 29.20 H new ATOM 0 HH22AARG A 829 46.747 -2.756 23.856 0.23 29.20 H new ATOM 0 HH22BARG A 829 46.462 -3.047 24.318 0.77 29.20 H new ATOM 1095 N VAL A 830 37.938 -0.780 21.426 1.00 16.76 N ATOM 1096 CA VAL A 830 36.498 -0.620 21.525 1.00 17.40 C ATOM 1097 C VAL A 830 36.102 0.420 22.575 1.00 17.48 C ATOM 1098 O VAL A 830 35.156 1.248 22.383 1.00 17.90 O ATOM 1099 CB VAL A 830 35.770 -1.910 21.725 1.00 15.47 C ATOM 1100 CG1 VAL A 830 34.277 -1.677 21.978 1.00 18.38 C ATOM 1101 CG2 VAL A 830 35.886 -2.753 20.506 1.00 18.10 C ATOM 0 H VAL A 830 38.207 -1.597 21.447 1.00 16.76 H new ATOM 0 HA VAL A 830 36.216 -0.283 20.661 1.00 17.40 H new ATOM 0 HB VAL A 830 36.169 -2.347 22.494 1.00 15.47 H new ATOM 0 HG11 VAL A 830 33.833 -2.530 22.104 1.00 18.38 H new ATOM 0 HG12 VAL A 830 34.164 -1.134 22.774 1.00 18.38 H new ATOM 0 HG13 VAL A 830 33.887 -1.219 21.217 1.00 18.38 H new ATOM 0 HG21 VAL A 830 35.411 -3.588 20.643 1.00 18.10 H new ATOM 0 HG22 VAL A 830 35.501 -2.283 19.750 1.00 18.10 H new ATOM 0 HG23 VAL A 830 36.821 -2.939 20.329 1.00 18.10 H new ATOM 1102 N GLU A 831 36.786 0.435 23.718 1.00 18.14 N ATOM 1103 CA GLU A 831 36.561 1.342 24.801 1.00 20.33 C ATOM 1104 C GLU A 831 36.534 2.830 24.360 1.00 17.45 C ATOM 1105 O GLU A 831 35.702 3.628 24.839 1.00 19.59 O ATOM 1106 CB GLU A 831 37.699 1.134 25.811 1.00 26.44 C ATOM 1107 CG GLU A 831 37.654 2.001 27.007 1.00 36.75 C ATOM 1108 CD GLU A 831 38.717 1.538 28.010 1.00 46.49 C ATOM 1109 OE1 GLU A 831 39.904 1.435 27.578 1.00 47.56 O ATOM 1110 OE2 GLU A 831 38.313 1.195 29.153 1.00 52.83 O ATOM 0 H GLU A 831 37.424 -0.119 23.876 1.00 18.14 H new ATOM 0 HA GLU A 831 35.688 1.155 25.181 1.00 20.33 H new ATOM 0 HB2 GLU A 831 37.688 0.208 26.101 1.00 26.44 H new ATOM 0 HB3 GLU A 831 38.544 1.279 25.357 1.00 26.44 H new ATOM 0 HG2 GLU A 831 37.812 2.924 26.756 1.00 36.75 H new ATOM 0 HG3 GLU A 831 36.774 1.964 27.413 1.00 36.75 H new ATOM 1111 N GLY A 832 37.391 3.200 23.434 1.00 18.43 N ATOM 1112 CA GLY A 832 37.461 4.596 22.915 1.00 18.30 C ATOM 1113 C GLY A 832 36.154 5.008 22.280 1.00 18.97 C ATOM 1114 O GLY A 832 35.628 6.130 22.542 1.00 18.28 O ATOM 0 H GLY A 832 37.959 2.665 23.073 1.00 18.43 H new ATOM 0 HA2 GLY A 832 37.677 5.203 23.640 1.00 18.30 H new ATOM 0 HA3 GLY A 832 38.176 4.666 22.264 1.00 18.30 H new ATOM 1115 N PHE A 833 35.637 4.134 21.438 1.00 17.71 N ATOM 1116 CA PHE A 833 34.382 4.395 20.743 1.00 16.58 C ATOM 1117 C PHE A 833 33.209 4.465 21.692 1.00 17.56 C ATOM 1118 O PHE A 833 32.369 5.378 21.679 1.00 17.38 O ATOM 1119 CB PHE A 833 34.196 3.370 19.658 1.00 16.14 C ATOM 1120 CG PHE A 833 32.820 3.285 19.093 1.00 16.58 C ATOM 1121 CD1 PHE A 833 32.407 4.201 18.117 1.00 18.63 C ATOM 1122 CD2 PHE A 833 31.872 2.329 19.525 1.00 17.52 C ATOM 1123 CE1 PHE A 833 31.129 4.178 17.616 1.00 17.13 C ATOM 1124 CE2 PHE A 833 30.566 2.294 19.019 1.00 17.99 C ATOM 1125 CZ PHE A 833 30.187 3.249 18.065 1.00 17.26 C ATOM 0 H PHE A 833 35.997 3.376 21.250 1.00 17.71 H new ATOM 0 HA PHE A 833 34.425 5.272 20.330 1.00 16.58 H new ATOM 0 HB2 PHE A 833 34.814 3.568 18.937 1.00 16.14 H new ATOM 0 HB3 PHE A 833 34.440 2.500 20.010 1.00 16.14 H new ATOM 0 HD1 PHE A 833 33.009 4.836 17.803 1.00 18.63 H new ATOM 0 HD2 PHE A 833 32.123 1.703 20.166 1.00 17.52 H new ATOM 0 HE1 PHE A 833 30.885 4.794 16.964 1.00 17.13 H new ATOM 0 HE2 PHE A 833 29.962 1.650 19.310 1.00 17.99 H new ATOM 0 HZ PHE A 833 29.318 3.264 17.735 1.00 17.26 H new ATOM 1126 N VAL A 834 33.124 3.480 22.589 1.00 15.77 N ATOM 1127 CA VAL A 834 31.975 3.386 23.493 1.00 16.37 C ATOM 1128 C VAL A 834 32.034 4.586 24.476 1.00 15.65 C ATOM 1129 O VAL A 834 31.002 5.156 24.819 1.00 16.50 O ATOM 1130 CB VAL A 834 31.992 2.039 24.307 1.00 17.09 C ATOM 1131 CG1 VAL A 834 30.955 2.054 25.411 1.00 18.61 C ATOM 1132 CG2 VAL A 834 31.723 0.917 23.337 1.00 17.47 C ATOM 0 H VAL A 834 33.714 2.863 22.690 1.00 15.77 H new ATOM 0 HA VAL A 834 31.158 3.404 22.970 1.00 16.37 H new ATOM 0 HB VAL A 834 32.855 1.919 24.733 1.00 17.09 H new ATOM 0 HG11 VAL A 834 30.986 1.215 25.896 1.00 18.61 H new ATOM 0 HG12 VAL A 834 31.141 2.786 26.020 1.00 18.61 H new ATOM 0 HG13 VAL A 834 30.073 2.171 25.025 1.00 18.61 H new ATOM 0 HG21 VAL A 834 31.727 0.071 23.811 1.00 17.47 H new ATOM 0 HG22 VAL A 834 30.857 1.049 22.921 1.00 17.47 H new ATOM 0 HG23 VAL A 834 32.411 0.908 22.654 1.00 17.47 H new ATOM 1133 N GLN A 835 33.218 5.005 24.934 1.00 16.88 N ATOM 1134 CA GLN A 835 33.326 6.151 25.833 1.00 19.09 C ATOM 1135 C GLN A 835 32.796 7.408 25.162 1.00 18.82 C ATOM 1136 O GLN A 835 32.038 8.150 25.789 1.00 19.05 O ATOM 1137 CB GLN A 835 34.743 6.433 26.303 1.00 20.62 C ATOM 1138 CG GLN A 835 35.156 5.408 27.370 1.00 23.39 C ATOM 1139 CD GLN A 835 36.627 5.466 27.771 1.00 26.85 C ATOM 1140 OE1 GLN A 835 37.506 5.990 27.068 1.00 31.83 O ATOM 1141 NE2 GLN A 835 36.906 4.784 28.897 1.00 35.92 N ATOM 0 H GLN A 835 33.969 4.637 24.734 1.00 16.88 H new ATOM 0 HA GLN A 835 32.796 5.914 26.610 1.00 19.09 H new ATOM 0 HB2 GLN A 835 35.355 6.393 25.552 1.00 20.62 H new ATOM 0 HB3 GLN A 835 34.799 7.330 26.667 1.00 20.62 H new ATOM 0 HG2 GLN A 835 34.612 5.545 28.161 1.00 23.39 H new ATOM 0 HG3 GLN A 835 34.958 4.518 27.040 1.00 23.39 H new ATOM 0 HE21 GLN A 835 36.269 4.435 29.357 1.00 35.92 H new ATOM 0 HE22 GLN A 835 37.721 4.697 29.156 1.00 35.92 H new ATOM 1142 N ASP A 836 33.191 7.637 23.940 1.00 17.45 N ATOM 1143 CA ASP A 836 32.695 8.856 23.214 1.00 17.70 C ATOM 1144 C ASP A 836 31.196 8.767 23.037 1.00 16.57 C ATOM 1145 O ASP A 836 30.487 9.780 23.188 1.00 16.15 O ATOM 1146 CB ASP A 836 33.339 9.012 21.857 1.00 18.00 C ATOM 1147 CG ASP A 836 34.738 9.734 21.929 1.00 21.02 C ATOM 1148 OD1 ASP A 836 35.116 10.192 23.027 1.00 23.75 O ATOM 1149 OD2 ASP A 836 35.401 9.817 20.877 1.00 22.05 O ATOM 0 H ASP A 836 33.729 7.136 23.494 1.00 17.45 H new ATOM 0 HA ASP A 836 32.932 9.629 23.751 1.00 17.70 H new ATOM 0 HB2 ASP A 836 33.451 8.137 21.453 1.00 18.00 H new ATOM 0 HB3 ASP A 836 32.747 9.518 21.278 1.00 18.00 H new ATOM 1150 N MET A 837 30.657 7.597 22.655 1.00 17.12 N ATOM 1151 CA MET A 837 29.227 7.470 22.510 1.00 15.08 C ATOM 1152 C MET A 837 28.486 7.723 23.793 1.00 16.29 C ATOM 1153 O MET A 837 27.483 8.492 23.816 1.00 16.94 O ATOM 1154 CB MET A 837 28.842 6.099 21.955 1.00 15.96 C ATOM 1155 CG MET A 837 29.355 5.803 20.553 1.00 17.24 C ATOM 1156 SD MET A 837 28.433 6.855 19.299 1.00 17.85 S ATOM 1157 CE MET A 837 26.857 6.046 19.228 1.00 18.48 C ATOM 0 H MET A 837 31.106 6.885 22.481 1.00 17.12 H new ATOM 0 HA MET A 837 28.963 8.156 21.877 1.00 15.08 H new ATOM 0 HB2 MET A 837 29.176 5.416 22.557 1.00 15.96 H new ATOM 0 HB3 MET A 837 27.875 6.026 21.952 1.00 15.96 H new ATOM 0 HG2 MET A 837 30.306 5.986 20.503 1.00 17.24 H new ATOM 0 HG3 MET A 837 29.235 4.862 20.348 1.00 17.24 H new ATOM 0 HE1 MET A 837 26.353 6.385 18.472 1.00 18.48 H new ATOM 0 HE2 MET A 837 26.988 5.090 19.126 1.00 18.48 H new ATOM 0 HE3 MET A 837 26.367 6.219 20.047 1.00 18.48 H new ATOM 1158 N ARG A 838 28.950 7.153 24.935 1.00 14.60 N ATOM 1159 CA ARG A 838 28.240 7.391 26.184 1.00 16.11 C ATOM 1160 C ARG A 838 28.384 8.860 26.673 1.00 17.01 C ATOM 1161 O ARG A 838 27.413 9.363 27.277 1.00 18.39 O ATOM 1162 CB ARG A 838 28.757 6.423 27.280 1.00 17.19 C ATOM 1163 CG ARG A 838 28.349 4.947 26.957 1.00 17.68 C ATOM 1164 CD ARG A 838 29.001 3.954 27.954 1.00 18.27 C ATOM 1165 NE ARG A 838 28.298 2.665 27.840 1.00 18.49 N ATOM 1166 CZ ARG A 838 28.766 1.493 28.333 1.00 23.00 C ATOM 1167 NH1 ARG A 838 29.989 1.470 28.866 1.00 20.57 N ATOM 1168 NH2 ARG A 838 28.002 0.420 28.233 1.00 22.30 N ATOM 0 H ARG A 838 29.645 6.649 24.992 1.00 14.60 H new ATOM 0 HA ARG A 838 27.299 7.229 26.016 1.00 16.11 H new ATOM 0 HB2 ARG A 838 29.723 6.489 27.346 1.00 17.19 H new ATOM 0 HB3 ARG A 838 28.395 6.681 28.142 1.00 17.19 H new ATOM 0 HG2 ARG A 838 27.384 4.860 26.995 1.00 17.68 H new ATOM 0 HG3 ARG A 838 28.619 4.725 26.052 1.00 17.68 H new ATOM 0 HD2 ARG A 838 29.944 3.844 27.755 1.00 18.27 H new ATOM 0 HD3 ARG A 838 28.940 4.294 28.860 1.00 18.27 H new ATOM 0 HE ARG A 838 27.540 2.656 27.434 1.00 18.49 H new ATOM 0 HH11 ARG A 838 30.461 2.189 28.891 1.00 20.57 H new ATOM 0 HH12 ARG A 838 30.305 0.737 29.185 1.00 20.57 H new ATOM 0 HH21 ARG A 838 27.228 0.476 27.862 1.00 22.30 H new ATOM 0 HH22 ARG A 838 28.278 -0.335 28.539 1.00 22.30 H new ATOM 1169 N LEU A 839 29.456 9.530 26.262 1.00 16.79 N ATOM 1170 CA LEU A 839 29.727 10.933 26.596 1.00 17.76 C ATOM 1171 C LEU A 839 28.655 11.860 25.937 1.00 17.20 C ATOM 1172 O LEU A 839 28.182 12.825 26.547 1.00 19.03 O ATOM 1173 CB LEU A 839 31.121 11.319 26.188 1.00 20.11 C ATOM 1174 CG LEU A 839 31.537 12.747 26.588 1.00 20.37 C ATOM 1175 CD1 LEU A 839 31.492 12.962 28.098 1.00 22.90 C ATOM 1176 CD2 LEU A 839 32.880 13.067 25.990 1.00 20.58 C ATOM 0 H LEU A 839 30.064 9.175 25.768 1.00 16.79 H new ATOM 0 HA LEU A 839 29.667 11.044 27.558 1.00 17.76 H new ATOM 0 HB2 LEU A 839 31.746 10.691 26.583 1.00 20.11 H new ATOM 0 HB3 LEU A 839 31.199 11.230 25.225 1.00 20.11 H new ATOM 0 HG LEU A 839 30.890 13.372 26.225 1.00 20.37 H new ATOM 0 HD11 LEU A 839 31.760 13.871 28.304 1.00 22.90 H new ATOM 0 HD12 LEU A 839 30.589 12.811 28.420 1.00 22.90 H new ATOM 0 HD13 LEU A 839 32.097 12.341 28.532 1.00 22.90 H new ATOM 0 HD21 LEU A 839 33.141 13.966 26.243 1.00 20.58 H new ATOM 0 HD22 LEU A 839 33.539 12.435 26.318 1.00 20.58 H new ATOM 0 HD23 LEU A 839 32.827 13.006 25.023 1.00 20.58 H new ATOM 1177 N ILE A 840 28.248 11.491 24.718 1.00 15.99 N ATOM 1178 CA ILE A 840 27.161 12.263 24.060 1.00 15.95 C ATOM 1179 C ILE A 840 25.967 12.384 24.989 1.00 15.83 C ATOM 1180 O ILE A 840 25.386 13.477 25.189 1.00 18.08 O ATOM 1181 CB ILE A 840 26.771 11.653 22.704 1.00 16.06 C ATOM 1182 CG1 ILE A 840 27.947 11.668 21.737 1.00 17.13 C ATOM 1183 CG2 ILE A 840 25.466 12.203 22.092 1.00 16.45 C ATOM 1184 CD1 ILE A 840 27.740 10.933 20.429 1.00 19.34 C ATOM 0 H ILE A 840 28.564 10.831 24.266 1.00 15.99 H new ATOM 0 HA ILE A 840 27.491 13.156 23.876 1.00 15.95 H new ATOM 0 HB ILE A 840 26.552 10.726 22.886 1.00 16.06 H new ATOM 0 HG12 ILE A 840 28.167 12.591 21.537 1.00 17.13 H new ATOM 0 HG13 ILE A 840 28.717 11.284 22.185 1.00 17.13 H new ATOM 0 HG21 ILE A 840 25.297 11.766 21.243 1.00 16.45 H new ATOM 0 HG22 ILE A 840 24.727 12.031 22.696 1.00 16.45 H new ATOM 0 HG23 ILE A 840 25.552 13.159 21.952 1.00 16.45 H new ATOM 0 HD11 ILE A 840 28.542 11.002 19.888 1.00 19.34 H new ATOM 0 HD12 ILE A 840 27.551 9.999 20.609 1.00 19.34 H new ATOM 0 HD13 ILE A 840 26.993 11.327 19.951 1.00 19.34 H new ATOM 1185 N PHE A 841 25.507 11.262 25.522 1.00 16.52 N ATOM 1186 CA PHE A 841 24.259 11.231 26.283 1.00 17.19 C ATOM 1187 C PHE A 841 24.476 11.783 27.646 1.00 18.31 C ATOM 1188 O PHE A 841 23.555 12.443 28.132 1.00 21.41 O ATOM 1189 CB PHE A 841 23.628 9.816 26.216 1.00 18.19 C ATOM 1190 CG PHE A 841 23.599 9.261 24.850 1.00 18.06 C ATOM 1191 CD1 PHE A 841 22.847 9.883 23.854 1.00 19.44 C ATOM 1192 CD2 PHE A 841 24.338 8.141 24.538 1.00 18.38 C ATOM 1193 CE1 PHE A 841 22.857 9.357 22.554 1.00 21.60 C ATOM 1194 CE2 PHE A 841 24.339 7.615 23.230 1.00 20.42 C ATOM 1195 CZ PHE A 841 23.607 8.228 22.281 1.00 22.97 C ATOM 0 H PHE A 841 25.902 10.501 25.456 1.00 16.52 H new ATOM 0 HA PHE A 841 23.594 11.815 25.886 1.00 17.19 H new ATOM 0 HB2 PHE A 841 24.128 9.217 26.792 1.00 18.19 H new ATOM 0 HB3 PHE A 841 22.723 9.854 26.563 1.00 18.19 H new ATOM 0 HD1 PHE A 841 22.343 10.640 24.050 1.00 19.44 H new ATOM 0 HD2 PHE A 841 24.843 7.726 25.199 1.00 18.38 H new ATOM 0 HE1 PHE A 841 22.363 9.765 21.880 1.00 21.60 H new ATOM 0 HE2 PHE A 841 24.837 6.857 23.026 1.00 20.42 H new ATOM 0 HZ PHE A 841 23.606 7.882 21.418 1.00 22.97 H new ATOM 1196 N HIS A 842 25.644 11.589 28.250 1.00 17.99 N ATOM 1197 CA HIS A 842 25.937 12.100 29.581 1.00 19.75 C ATOM 1198 C HIS A 842 26.015 13.667 29.555 1.00 21.90 C ATOM 1199 O HIS A 842 25.430 14.315 30.435 1.00 21.39 O ATOM 1200 CB HIS A 842 27.240 11.504 30.139 1.00 24.66 C ATOM 1201 CG HIS A 842 27.438 11.811 31.582 1.00 29.77 C ATOM 1202 ND1 HIS A 842 28.237 12.831 32.021 1.00 36.04 N ATOM 1203 CD2 HIS A 842 26.913 11.234 32.697 1.00 39.47 C ATOM 1204 CE1 HIS A 842 28.227 12.859 33.345 1.00 33.17 C ATOM 1205 NE2 HIS A 842 27.422 11.911 33.780 1.00 39.53 N ATOM 0 H HIS A 842 26.294 11.153 27.894 1.00 17.99 H new ATOM 0 HA HIS A 842 25.215 11.830 30.170 1.00 19.75 H new ATOM 0 HB2 HIS A 842 27.231 10.542 30.015 1.00 24.66 H new ATOM 0 HB3 HIS A 842 27.992 11.848 29.632 1.00 24.66 H new ATOM 0 HD1 HIS A 842 28.677 13.370 31.516 1.00 36.04 H new ATOM 0 HD2 HIS A 842 26.321 10.517 32.722 1.00 39.47 H new ATOM 0 HE1 HIS A 842 28.708 13.449 33.879 1.00 33.17 H new ATOM 1206 N ASN A 843 26.620 14.228 28.541 1.00 18.52 N ATOM 1207 CA ASN A 843 26.689 15.688 28.394 1.00 18.02 C ATOM 1208 C ASN A 843 25.289 16.232 28.299 1.00 20.36 C ATOM 1209 O ASN A 843 24.996 17.242 28.915 1.00 21.70 O ATOM 1210 CB ASN A 843 27.473 16.095 27.142 1.00 17.77 C ATOM 1211 CG ASN A 843 28.983 15.938 27.291 1.00 18.27 C ATOM 1212 OD1 ASN A 843 29.525 15.681 28.370 1.00 18.36 O ATOM 1213 ND2 ASN A 843 29.668 16.080 26.208 1.00 17.84 N ATOM 0 H ASN A 843 27.007 13.789 27.911 1.00 18.52 H new ATOM 0 HA ASN A 843 27.150 16.051 29.166 1.00 18.02 H new ATOM 0 HB2 ASN A 843 27.172 15.559 26.392 1.00 17.77 H new ATOM 0 HB3 ASN A 843 27.271 17.019 26.929 1.00 17.77 H new ATOM 0 HD21 ASN A 843 30.524 15.996 26.226 1.00 17.84 H new ATOM 0 HD22 ASN A 843 29.269 16.259 25.467 1.00 17.84 H new ATOM 1214 N HIS A 844 24.422 15.586 27.526 1.00 17.72 N ATOM 1215 CA HIS A 844 23.038 16.036 27.313 1.00 19.00 C ATOM 1216 C HIS A 844 22.265 16.039 28.639 1.00 21.18 C ATOM 1217 O HIS A 844 21.606 17.038 29.000 1.00 21.14 O ATOM 1218 CB HIS A 844 22.394 15.189 26.258 1.00 19.12 C ATOM 1219 CG HIS A 844 20.960 15.499 26.020 1.00 20.10 C ATOM 1220 ND1 HIS A 844 20.570 16.304 24.969 1.00 21.80 N ATOM 1221 CD2 HIS A 844 19.825 15.102 26.634 1.00 19.62 C ATOM 1222 CE1 HIS A 844 19.243 16.338 24.911 1.00 20.11 C ATOM 1223 NE2 HIS A 844 18.773 15.694 25.960 1.00 19.23 N ATOM 0 H HIS A 844 24.618 14.864 27.102 1.00 17.72 H new ATOM 0 HA HIS A 844 23.030 16.951 26.992 1.00 19.00 H new ATOM 0 HB2 HIS A 844 22.881 15.300 25.426 1.00 19.12 H new ATOM 0 HB3 HIS A 844 22.475 14.256 26.512 1.00 19.12 H new ATOM 0 HD2 HIS A 844 19.763 14.538 27.370 1.00 19.62 H new ATOM 0 HE1 HIS A 844 18.735 16.745 24.247 1.00 20.11 H new ATOM 0 HE2 HIS A 844 17.945 15.649 26.189 1.00 19.23 H new ATOM 1224 N LYS A 845 22.435 14.984 29.416 1.00 21.41 N ATOM 1225 CA ALYS A 845 21.757 14.868 30.735 0.50 24.97 C ATOM 1226 CA BLYS A 845 21.713 14.877 30.695 0.50 25.67 C ATOM 1227 C LYS A 845 22.154 15.943 31.691 1.00 24.63 C ATOM 1228 O LYS A 845 21.314 16.552 32.386 1.00 29.77 O ATOM 1229 CB ALYS A 845 22.113 13.522 31.378 0.50 27.30 C ATOM 1230 CB BLYS A 845 21.931 13.483 31.290 0.50 28.48 C ATOM 1231 CG ALYS A 845 21.281 12.470 30.755 0.50 31.98 C ATOM 1232 CG BLYS A 845 21.275 13.301 32.647 0.50 34.38 C ATOM 1233 CD ALYS A 845 21.725 11.024 30.924 0.50 35.18 C ATOM 1234 CD BLYS A 845 22.327 13.179 33.710 0.50 36.20 C ATOM 1235 CE ALYS A 845 21.459 10.461 32.290 0.50 35.45 C ATOM 1236 CE BLYS A 845 22.518 11.718 34.031 0.50 36.15 C ATOM 1237 NZ ALYS A 845 21.516 8.977 32.093 0.50 39.12 N ATOM 1238 NZ BLYS A 845 21.501 11.281 35.029 0.50 39.52 N ATOM 0 H ALYS A 845 22.936 14.315 29.214 0.50 21.41 H new ATOM 0 H BLYS A 845 22.954 14.322 29.235 0.50 21.41 H new ATOM 0 HA ALYS A 845 20.806 14.947 30.562 0.50 25.67 H new ATOM 0 HA BLYS A 845 20.770 15.018 30.517 0.50 25.67 H new ATOM 0 HB2ALYS A 845 23.055 13.326 31.251 0.50 28.48 H new ATOM 0 HB2BLYS A 845 21.581 12.818 30.677 0.50 28.48 H new ATOM 0 HB3ALYS A 845 21.956 13.553 32.335 0.50 28.48 H new ATOM 0 HB3BLYS A 845 22.883 13.319 31.373 0.50 28.48 H new ATOM 0 HG2ALYS A 845 20.382 12.550 31.112 0.50 34.38 H new ATOM 0 HG2BLYS A 845 20.696 14.055 32.839 0.50 34.38 H new ATOM 0 HG3ALYS A 845 21.227 12.656 29.805 0.50 34.38 H new ATOM 0 HG3BLYS A 845 20.716 12.508 32.641 0.50 34.38 H new ATOM 0 HD2ALYS A 845 21.271 10.476 30.264 0.50 36.20 H new ATOM 0 HD2BLYS A 845 23.161 13.569 33.405 0.50 36.20 H new ATOM 0 HD3ALYS A 845 22.675 10.963 30.738 0.50 36.20 H new ATOM 0 HD3BLYS A 845 22.061 13.667 34.505 0.50 36.20 H new ATOM 0 HE2ALYS A 845 22.123 10.759 32.932 0.50 36.15 H new ATOM 0 HE2BLYS A 845 22.438 11.188 33.223 0.50 36.15 H new ATOM 0 HE3ALYS A 845 20.593 10.741 32.626 0.50 36.15 H new ATOM 0 HE3BLYS A 845 23.411 11.569 34.381 0.50 36.15 H new ATOM 0 HZ1ALYS A 845 21.366 8.568 32.869 0.50 39.52 H new ATOM 0 HZ1BLYS A 845 21.618 10.419 35.215 0.50 39.52 H new ATOM 0 HZ2ALYS A 845 20.896 8.731 31.504 0.50 39.52 H new ATOM 0 HZ2BLYS A 845 21.591 11.759 35.774 0.50 39.52 H new ATOM 0 HZ3ALYS A 845 22.320 8.748 31.789 0.50 39.52 H new ATOM 0 HZ3BLYS A 845 20.685 11.404 34.695 0.50 39.52 H new ATOM 1239 N GLU A 846 23.448 16.163 31.765 1.00 25.19 N ATOM 1240 CA GLU A 846 23.982 17.204 32.652 1.00 26.38 C ATOM 1241 C GLU A 846 23.536 18.623 32.283 1.00 25.69 C ATOM 1242 O GLU A 846 23.214 19.463 33.172 1.00 30.80 O ATOM 1243 CB GLU A 846 25.470 17.094 32.707 1.00 26.63 C ATOM 1244 CG GLU A 846 25.928 15.784 33.434 1.00 29.33 C ATOM 1245 CD GLU A 846 25.393 15.622 34.876 1.00 43.90 C ATOM 1246 OE1 GLU A 846 25.880 16.384 35.744 1.00 48.16 O ATOM 1247 OE2 GLU A 846 24.514 14.751 35.122 1.00 44.12 O ATOM 0 H GLU A 846 24.041 15.730 31.318 1.00 25.19 H new ATOM 0 HA GLU A 846 23.609 17.048 33.534 1.00 26.38 H new ATOM 0 HB2 GLU A 846 25.829 17.107 31.806 1.00 26.63 H new ATOM 0 HB3 GLU A 846 25.835 17.865 33.169 1.00 26.63 H new ATOM 0 HG2 GLU A 846 25.642 15.021 32.909 1.00 29.33 H new ATOM 0 HG3 GLU A 846 26.898 15.764 33.458 1.00 29.33 H new ATOM 1248 N PHE A 847 23.524 18.907 30.988 1.00 22.12 N ATOM 1249 CA PHE A 847 23.247 20.296 30.490 1.00 22.87 C ATOM 1250 C PHE A 847 21.789 20.656 30.723 1.00 24.18 C ATOM 1251 O PHE A 847 21.458 21.765 31.228 1.00 25.91 O ATOM 1252 CB PHE A 847 23.642 20.467 29.053 1.00 23.29 C ATOM 1253 CG PHE A 847 23.458 21.881 28.581 1.00 20.96 C ATOM 1254 CD1 PHE A 847 24.294 22.855 29.070 1.00 23.03 C ATOM 1255 CD2 PHE A 847 22.431 22.189 27.755 1.00 20.69 C ATOM 1256 CE1 PHE A 847 24.120 24.213 28.670 1.00 21.71 C ATOM 1257 CE2 PHE A 847 22.256 23.530 27.314 1.00 22.70 C ATOM 1258 CZ PHE A 847 23.117 24.518 27.783 1.00 23.91 C ATOM 0 H PHE A 847 23.670 18.329 30.368 1.00 22.12 H new ATOM 0 HA PHE A 847 23.797 20.913 30.998 1.00 22.87 H new ATOM 0 HB2 PHE A 847 24.570 20.208 28.941 1.00 23.29 H new ATOM 0 HB3 PHE A 847 23.113 19.871 28.500 1.00 23.29 H new ATOM 0 HD1 PHE A 847 24.974 22.629 29.663 1.00 23.03 H new ATOM 0 HD2 PHE A 847 21.841 21.526 27.477 1.00 20.69 H new ATOM 0 HE1 PHE A 847 24.676 24.880 29.004 1.00 21.71 H new ATOM 0 HE2 PHE A 847 21.574 23.744 26.719 1.00 22.70 H new ATOM 0 HZ PHE A 847 23.012 25.395 27.492 1.00 23.91 H new ATOM 1259 N TYR A 848 20.908 19.748 30.363 1.00 20.71 N ATOM 1260 CA TYR A 848 19.470 19.991 30.335 1.00 23.02 C ATOM 1261 C TYR A 848 18.779 19.790 31.639 1.00 30.20 C ATOM 1262 O TYR A 848 17.636 20.246 31.742 1.00 39.48 O ATOM 1263 CB TYR A 848 18.741 19.275 29.205 1.00 22.33 C ATOM 1264 CG TYR A 848 19.111 19.910 27.850 1.00 22.71 C ATOM 1265 CD1 TYR A 848 18.618 21.164 27.475 1.00 22.80 C ATOM 1266 CD2 TYR A 848 19.912 19.270 26.931 1.00 19.46 C ATOM 1267 CE1 TYR A 848 18.963 21.745 26.274 1.00 23.02 C ATOM 1268 CE2 TYR A 848 20.249 19.827 25.706 1.00 22.80 C ATOM 1269 CZ TYR A 848 19.752 21.084 25.382 1.00 24.79 C ATOM 1270 OH TYR A 848 20.064 21.666 24.148 1.00 26.17 O ATOM 0 H TYR A 848 21.127 18.952 30.121 1.00 20.71 H new ATOM 0 HA TYR A 848 19.417 20.941 30.147 1.00 23.02 H new ATOM 0 HB2 TYR A 848 18.976 18.334 29.204 1.00 22.33 H new ATOM 0 HB3 TYR A 848 17.782 19.328 29.344 1.00 22.33 H new ATOM 0 HD1 TYR A 848 18.044 21.616 28.050 1.00 22.80 H new ATOM 0 HD2 TYR A 848 20.242 18.426 27.141 1.00 19.46 H new ATOM 0 HE1 TYR A 848 18.654 22.598 26.070 1.00 23.02 H new ATOM 0 HE2 TYR A 848 20.798 19.368 25.112 1.00 22.80 H new ATOM 0 HH TYR A 848 19.987 22.501 24.204 1.00 26.17 H new ATOM 1271 N ARG A 849 19.436 19.209 32.624 1.00 30.90 N ATOM 1272 CA ARG A 849 19.015 19.365 34.052 1.00 45.40 C ATOM 1273 C ARG A 849 17.588 18.861 34.197 1.00 42.64 C ATOM 1274 O ARG A 849 17.326 17.719 33.915 1.00 42.00 O ATOM 1275 CB ARG A 849 19.077 20.840 34.531 1.00 52.33 C ATOM 1276 CG ARG A 849 20.413 21.520 34.493 1.00 64.04 C ATOM 1277 CD ARG A 849 21.377 20.880 35.457 1.00 72.32 C ATOM 1278 NE ARG A 849 22.489 21.805 35.691 1.00 76.47 N ATOM 1279 CZ ARG A 849 22.721 22.478 36.815 1.00 70.40 C ATOM 1280 NH1 ARG A 849 21.935 22.348 37.872 1.00 66.45 N ATOM 1281 NH2 ARG A 849 23.782 23.276 36.887 1.00 71.14 N ATOM 0 H ARG A 849 20.131 18.716 32.511 1.00 30.90 H new ATOM 0 HA ARG A 849 19.630 18.852 34.600 1.00 45.40 H new ATOM 0 HB2 ARG A 849 18.461 21.358 33.989 1.00 52.33 H new ATOM 0 HB3 ARG A 849 18.749 20.873 35.443 1.00 52.33 H new ATOM 0 HG2 ARG A 849 20.775 21.478 33.594 1.00 64.04 H new ATOM 0 HG3 ARG A 849 20.307 22.459 34.713 1.00 64.04 H new ATOM 0 HD2 ARG A 849 20.930 20.673 36.293 1.00 72.32 H new ATOM 0 HD3 ARG A 849 21.707 20.042 35.097 1.00 72.32 H new ATOM 0 HE ARG A 849 23.042 21.924 35.043 1.00 76.47 H new ATOM 0 HH11 ARG A 849 21.257 21.820 37.841 1.00 66.45 H new ATOM 0 HH12 ARG A 849 22.102 22.792 38.589 1.00 66.45 H new ATOM 0 HH21 ARG A 849 24.309 23.353 36.212 1.00 71.14 H new ATOM 0 HH22 ARG A 849 23.941 23.716 37.609 1.00 71.14 H new ATOM 1282 N GLU A 850 16.660 19.714 34.597 1.00 42.83 N ATOM 1283 CA GLU A 850 15.329 19.233 34.866 1.00 46.40 C ATOM 1284 C GLU A 850 14.418 19.509 33.688 1.00 37.64 C ATOM 1285 O GLU A 850 13.238 19.181 33.782 1.00 37.13 O ATOM 1286 CB GLU A 850 14.746 19.878 36.158 1.00 56.03 C ATOM 1287 CG GLU A 850 15.630 19.818 37.415 1.00 64.13 C ATOM 1288 CD GLU A 850 15.995 18.403 37.821 1.00 66.26 C ATOM 1289 OE1 GLU A 850 15.062 17.639 38.138 1.00 83.37 O ATOM 1290 OE2 GLU A 850 17.199 18.050 37.816 1.00 77.21 O ATOM 0 H GLU A 850 16.780 20.557 34.716 1.00 42.83 H new ATOM 0 HA GLU A 850 15.383 18.275 35.005 1.00 46.40 H new ATOM 0 HB2 GLU A 850 14.549 20.809 35.970 1.00 56.03 H new ATOM 0 HB3 GLU A 850 13.902 19.444 36.360 1.00 56.03 H new ATOM 0 HG2 GLU A 850 16.443 20.323 37.256 1.00 64.13 H new ATOM 0 HG3 GLU A 850 15.167 20.250 38.150 1.00 64.13 H new ATOM 1291 N ASP A 851 14.925 20.091 32.575 1.00 32.36 N ATOM 1292 CA ASP A 851 14.105 20.206 31.432 1.00 27.55 C ATOM 1293 C ASP A 851 13.722 18.820 30.951 1.00 29.56 C ATOM 1294 O ASP A 851 14.547 17.870 30.932 1.00 27.12 O ATOM 1295 CB ASP A 851 14.784 20.992 30.306 1.00 30.87 C ATOM 1296 CG ASP A 851 13.821 21.492 29.237 1.00 33.74 C ATOM 1297 OD1 ASP A 851 13.192 20.699 28.444 1.00 26.64 O ATOM 1298 OD2 ASP A 851 13.790 22.751 29.062 1.00 34.87 O ATOM 0 H ASP A 851 15.721 20.406 32.496 1.00 32.36 H new ATOM 0 HA ASP A 851 13.310 20.703 31.682 1.00 27.55 H new ATOM 0 HB2 ASP A 851 15.251 21.751 30.689 1.00 30.87 H new ATOM 0 HB3 ASP A 851 15.454 20.428 29.888 1.00 30.87 H new ATOM 1299 N LYS A 852 12.501 18.711 30.502 1.00 22.63 N ATOM 1300 CA LYS A 852 12.003 17.426 30.062 1.00 23.48 C ATOM 1301 C LYS A 852 12.765 16.935 28.784 1.00 20.14 C ATOM 1302 O LYS A 852 12.764 15.741 28.463 1.00 20.97 O ATOM 1303 CB LYS A 852 10.513 17.443 29.805 1.00 30.60 C ATOM 1304 CG LYS A 852 10.116 18.315 28.648 1.00 30.46 C ATOM 1305 CD LYS A 852 8.639 18.648 28.702 1.00 36.12 C ATOM 1306 CE LYS A 852 8.329 19.622 27.558 1.00 36.48 C ATOM 1307 NZ LYS A 852 6.879 19.699 27.286 1.00 30.15 N ATOM 0 H LYS A 852 11.941 19.361 30.441 1.00 22.63 H new ATOM 0 HA LYS A 852 12.168 16.803 30.787 1.00 23.48 H new ATOM 0 HB2 LYS A 852 10.210 16.537 29.637 1.00 30.60 H new ATOM 0 HB3 LYS A 852 10.057 17.751 30.604 1.00 30.60 H new ATOM 0 HG2 LYS A 852 10.636 19.133 28.662 1.00 30.46 H new ATOM 0 HG3 LYS A 852 10.319 17.864 27.814 1.00 30.46 H new ATOM 0 HD2 LYS A 852 8.106 17.842 28.615 1.00 36.12 H new ATOM 0 HD3 LYS A 852 8.412 19.046 29.557 1.00 36.12 H new ATOM 0 HE2 LYS A 852 8.664 20.504 27.784 1.00 36.48 H new ATOM 0 HE3 LYS A 852 8.795 19.338 26.756 1.00 36.48 H new ATOM 0 HZ1 LYS A 852 6.738 20.202 26.565 1.00 30.15 H new ATOM 0 HZ2 LYS A 852 6.560 18.881 27.144 1.00 30.15 H new ATOM 0 HZ3 LYS A 852 6.464 20.061 27.985 1.00 30.15 H new ATOM 1308 N PHE A 853 13.419 17.874 28.079 1.00 18.99 N ATOM 1309 CA PHE A 853 14.281 17.552 26.913 1.00 19.84 C ATOM 1310 C PHE A 853 15.420 16.543 27.301 1.00 20.60 C ATOM 1311 O PHE A 853 15.927 15.806 26.428 1.00 21.02 O ATOM 1312 CB PHE A 853 14.835 18.802 26.310 1.00 20.88 C ATOM 1313 CG PHE A 853 15.484 18.653 24.934 1.00 19.91 C ATOM 1314 CD1 PHE A 853 14.764 18.091 23.884 1.00 21.83 C ATOM 1315 CD2 PHE A 853 16.780 19.035 24.733 1.00 20.25 C ATOM 1316 CE1 PHE A 853 15.330 18.008 22.606 1.00 23.40 C ATOM 1317 CE2 PHE A 853 17.350 18.977 23.456 1.00 21.18 C ATOM 1318 CZ PHE A 853 16.630 18.464 22.406 1.00 22.73 C ATOM 0 H PHE A 853 13.378 18.714 28.259 1.00 18.99 H new ATOM 0 HA PHE A 853 13.732 17.115 26.244 1.00 19.84 H new ATOM 0 HB2 PHE A 853 14.118 19.452 26.241 1.00 20.88 H new ATOM 0 HB3 PHE A 853 15.493 19.170 26.920 1.00 20.88 H new ATOM 0 HD1 PHE A 853 13.904 17.769 24.032 1.00 21.83 H new ATOM 0 HD2 PHE A 853 17.288 19.336 25.451 1.00 20.25 H new ATOM 0 HE1 PHE A 853 14.843 17.652 21.898 1.00 23.40 H new ATOM 0 HE2 PHE A 853 18.216 19.286 23.319 1.00 21.18 H new ATOM 0 HZ PHE A 853 17.012 18.421 21.559 1.00 22.73 H new ATOM 1319 N THR A 854 15.789 16.488 28.572 1.00 20.50 N ATOM 1320 CA ATHR A 854 16.710 15.479 29.081 0.37 20.86 C ATOM 1321 CA BTHR A 854 16.721 15.449 29.040 0.63 20.97 C ATOM 1322 C THR A 854 16.295 14.067 28.587 1.00 20.96 C ATOM 1323 O THR A 854 17.201 13.180 28.330 1.00 20.66 O ATOM 1324 CB ATHR A 854 16.818 15.596 30.639 0.37 22.20 C ATOM 1325 CB BTHR A 854 16.890 15.411 30.576 0.63 24.20 C ATOM 1326 OG1ATHR A 854 18.078 15.082 31.091 0.37 24.69 O ATOM 1327 OG1BTHR A 854 15.643 15.104 31.227 0.63 28.84 O ATOM 1328 CG2ATHR A 854 15.682 14.810 31.352 0.37 23.02 C ATOM 1329 CG2BTHR A 854 17.495 16.621 31.091 0.63 22.32 C ATOM 0 H ATHR A 854 15.510 17.039 29.170 0.37 20.50 H new ATOM 0 H BTHR A 854 15.520 17.033 29.181 0.63 20.50 H new ATOM 0 HA ATHR A 854 17.601 15.632 28.730 0.37 20.97 H new ATOM 0 HA BTHR A 854 17.571 15.693 28.642 0.63 20.97 H new ATOM 0 HB ATHR A 854 16.739 16.537 30.860 0.37 24.20 H new ATOM 0 HB BTHR A 854 17.509 14.693 30.782 0.63 24.20 H new ATOM 0 HG1ATHR A 854 18.125 15.151 31.927 0.37 28.84 H new ATOM 0 HG1BTHR A 854 15.167 15.795 31.262 0.63 28.84 H new ATOM 0 HG21ATHR A 854 15.778 14.903 32.313 0.37 22.32 H new ATOM 0 HG21BTHR A 854 17.582 16.555 32.055 0.63 22.32 H new ATOM 0 HG22ATHR A 854 14.822 15.164 31.078 0.37 22.32 H new ATOM 0 HG22BTHR A 854 18.373 16.738 30.695 0.63 22.32 H new ATOM 0 HG23ATHR A 854 15.737 13.872 31.111 0.37 22.32 H new ATOM 0 HG23BTHR A 854 16.936 17.382 30.869 0.63 22.32 H new ATOM 1330 N ARG A 855 14.997 13.778 28.469 1.00 20.20 N ATOM 1331 CA ARG A 855 14.525 12.452 28.116 1.00 23.77 C ATOM 1332 C ARG A 855 15.029 11.974 26.751 1.00 21.36 C ATOM 1333 O ARG A 855 15.212 10.730 26.534 1.00 20.82 O ATOM 1334 CB ARG A 855 12.992 12.394 28.148 1.00 26.71 C ATOM 1335 CG ARG A 855 12.345 11.053 27.809 1.00 34.94 C ATOM 1336 CD ARG A 855 10.953 10.954 28.426 1.00 42.70 C ATOM 1337 NE ARG A 855 10.214 9.746 28.008 1.00 45.49 N ATOM 1338 CZ ARG A 855 9.322 9.686 27.010 1.00 52.50 C ATOM 1339 NH1 ARG A 855 9.035 10.762 26.227 1.00 47.53 N ATOM 1340 NH2 ARG A 855 8.699 8.521 26.765 1.00 53.16 N ATOM 0 H ARG A 855 14.369 14.352 28.593 1.00 20.20 H new ATOM 0 HA ARG A 855 14.892 11.852 28.784 1.00 23.77 H new ATOM 0 HB2 ARG A 855 12.698 12.655 29.035 1.00 26.71 H new ATOM 0 HB3 ARG A 855 12.652 13.059 27.529 1.00 26.71 H new ATOM 0 HG2 ARG A 855 12.285 10.952 26.846 1.00 34.94 H new ATOM 0 HG3 ARG A 855 12.901 10.329 28.136 1.00 34.94 H new ATOM 0 HD2 ARG A 855 11.033 10.958 29.393 1.00 42.70 H new ATOM 0 HD3 ARG A 855 10.441 11.740 28.181 1.00 42.70 H new ATOM 0 HE ARG A 855 10.369 9.020 28.442 1.00 45.49 H new ATOM 0 HH11 ARG A 855 9.432 11.512 26.365 1.00 47.53 H new ATOM 0 HH12 ARG A 855 8.457 10.691 25.594 1.00 47.53 H new ATOM 0 HH21 ARG A 855 8.875 7.830 27.245 1.00 53.16 H new ATOM 0 HH22 ARG A 855 8.124 8.467 26.128 1.00 53.16 H new ATOM 1341 N LEU A 856 15.330 12.907 25.845 1.00 21.32 N ATOM 1342 CA LEU A 856 15.766 12.511 24.520 1.00 19.62 C ATOM 1343 C LEU A 856 17.136 11.783 24.665 1.00 19.06 C ATOM 1344 O LEU A 856 17.414 10.831 23.913 1.00 19.60 O ATOM 1345 CB LEU A 856 15.969 13.701 23.583 1.00 21.02 C ATOM 1346 CG LEU A 856 14.749 14.091 22.758 1.00 23.08 C ATOM 1347 CD1 LEU A 856 14.334 13.042 21.751 1.00 28.53 C ATOM 1348 CD2 LEU A 856 13.567 14.405 23.629 1.00 27.16 C ATOM 0 H LEU A 856 15.288 13.755 25.980 1.00 21.32 H new ATOM 0 HA LEU A 856 15.077 11.945 24.139 1.00 19.62 H new ATOM 0 HB2 LEU A 856 16.243 14.467 24.111 1.00 21.02 H new ATOM 0 HB3 LEU A 856 16.699 13.497 22.978 1.00 21.02 H new ATOM 0 HG LEU A 856 15.028 14.882 22.271 1.00 23.08 H new ATOM 0 HD11 LEU A 856 13.556 13.352 21.262 1.00 28.53 H new ATOM 0 HD12 LEU A 856 15.062 12.883 21.131 1.00 28.53 H new ATOM 0 HD13 LEU A 856 14.117 12.217 22.213 1.00 28.53 H new ATOM 0 HD21 LEU A 856 12.811 14.649 23.073 1.00 27.16 H new ATOM 0 HD22 LEU A 856 13.340 13.626 24.160 1.00 27.16 H new ATOM 0 HD23 LEU A 856 13.786 15.144 24.218 1.00 27.16 H new ATOM 1349 N GLY A 857 17.975 12.197 25.598 1.00 18.94 N ATOM 1350 CA GLY A 857 19.282 11.531 25.848 1.00 19.93 C ATOM 1351 C GLY A 857 19.094 10.123 26.433 1.00 19.71 C ATOM 1352 O GLY A 857 19.794 9.202 26.045 1.00 19.49 O ATOM 0 H GLY A 857 17.820 12.869 26.112 1.00 18.94 H new ATOM 0 HA2 GLY A 857 19.781 11.474 25.018 1.00 19.93 H new ATOM 0 HA3 GLY A 857 19.809 12.069 26.460 1.00 19.93 H new ATOM 1353 N ILE A 858 18.140 9.989 27.355 1.00 20.37 N ATOM 1354 CA ILE A 858 17.794 8.674 27.884 1.00 21.26 C ATOM 1355 C ILE A 858 17.305 7.749 26.790 1.00 20.91 C ATOM 1356 O ILE A 858 17.743 6.561 26.707 1.00 20.64 O ATOM 1357 CB ILE A 858 16.736 8.800 28.993 1.00 22.89 C ATOM 1358 CG1 ILE A 858 17.380 9.502 30.163 1.00 26.46 C ATOM 1359 CG2 ILE A 858 16.292 7.396 29.400 1.00 23.84 C ATOM 1360 CD1 ILE A 858 16.348 10.071 31.138 1.00 31.77 C ATOM 0 H ILE A 858 17.686 10.642 27.683 1.00 20.37 H new ATOM 0 HA ILE A 858 18.599 8.287 28.263 1.00 21.26 H new ATOM 0 HB ILE A 858 15.963 9.303 28.692 1.00 22.89 H new ATOM 0 HG12 ILE A 858 17.957 8.880 30.633 1.00 26.46 H new ATOM 0 HG13 ILE A 858 17.944 10.221 29.836 1.00 26.46 H new ATOM 0 HG21 ILE A 858 15.623 7.458 30.100 1.00 23.84 H new ATOM 0 HG22 ILE A 858 15.914 6.941 28.632 1.00 23.84 H new ATOM 0 HG23 ILE A 858 17.057 6.897 29.727 1.00 23.84 H new ATOM 0 HD11 ILE A 858 16.804 10.512 31.872 1.00 31.77 H new ATOM 0 HD12 ILE A 858 15.785 10.712 30.676 1.00 31.77 H new ATOM 0 HD13 ILE A 858 15.799 9.351 31.485 1.00 31.77 H new ATOM 1361 N GLN A 859 16.433 8.223 25.907 1.00 18.78 N ATOM 1362 CA GLN A 859 15.890 7.413 24.878 1.00 21.73 C ATOM 1363 C GLN A 859 16.933 6.955 23.863 1.00 20.80 C ATOM 1364 O GLN A 859 16.969 5.750 23.486 1.00 19.85 O ATOM 1365 CB GLN A 859 14.797 8.169 24.151 1.00 23.64 C ATOM 1366 CG GLN A 859 13.612 8.405 25.057 1.00 22.47 C ATOM 1367 CD GLN A 859 12.579 9.205 24.385 1.00 26.10 C ATOM 1368 OE1 GLN A 859 12.858 10.269 23.787 1.00 27.11 O ATOM 1369 NE2 GLN A 859 11.340 8.728 24.500 1.00 31.94 N ATOM 0 H GLN A 859 16.149 9.035 25.904 1.00 18.78 H new ATOM 0 HA GLN A 859 15.535 6.620 25.310 1.00 21.73 H new ATOM 0 HB2 GLN A 859 15.142 9.019 23.835 1.00 23.64 H new ATOM 0 HB3 GLN A 859 14.517 7.668 23.369 1.00 23.64 H new ATOM 0 HG2 GLN A 859 13.237 7.554 25.332 1.00 22.47 H new ATOM 0 HG3 GLN A 859 13.903 8.860 25.863 1.00 22.47 H new ATOM 0 HE21 GLN A 859 11.200 7.991 24.921 1.00 31.94 H new ATOM 0 HE22 GLN A 859 10.680 9.157 24.153 1.00 31.94 H new ATOM 1370 N VAL A 860 17.764 7.852 23.359 1.00 16.85 N ATOM 1371 CA VAL A 860 18.758 7.450 22.359 1.00 16.71 C ATOM 1372 C VAL A 860 19.864 6.564 23.051 1.00 16.58 C ATOM 1373 O VAL A 860 20.286 5.612 22.459 1.00 17.33 O ATOM 1374 CB VAL A 860 19.308 8.603 21.598 1.00 19.47 C ATOM 1375 CG1 VAL A 860 20.314 8.139 20.588 1.00 18.20 C ATOM 1376 CG2 VAL A 860 18.115 9.394 20.973 1.00 19.09 C ATOM 0 H VAL A 860 17.776 8.685 23.573 1.00 16.85 H new ATOM 0 HA VAL A 860 18.321 6.909 21.683 1.00 16.71 H new ATOM 0 HB VAL A 860 19.791 9.206 22.184 1.00 19.47 H new ATOM 0 HG11 VAL A 860 20.661 8.903 20.102 1.00 18.20 H new ATOM 0 HG12 VAL A 860 21.042 7.686 21.041 1.00 18.20 H new ATOM 0 HG13 VAL A 860 19.890 7.527 19.966 1.00 18.20 H new ATOM 0 HG21 VAL A 860 18.456 10.151 20.472 1.00 19.09 H new ATOM 0 HG22 VAL A 860 17.616 8.812 20.379 1.00 19.09 H new ATOM 0 HG23 VAL A 860 17.531 9.711 21.680 1.00 19.09 H new ATOM 1377 N GLN A 861 20.226 6.861 24.301 1.00 16.75 N ATOM 1378 CA GLN A 861 21.176 5.995 25.026 1.00 17.23 C ATOM 1379 C GLN A 861 20.630 4.598 25.114 1.00 17.42 C ATOM 1380 O GLN A 861 21.375 3.592 24.922 1.00 17.55 O ATOM 1381 CB GLN A 861 21.572 6.552 26.396 1.00 19.74 C ATOM 1382 CG GLN A 861 22.665 5.580 26.975 1.00 24.84 C ATOM 1383 CD GLN A 861 23.615 6.181 27.979 1.00 29.90 C ATOM 1384 OE1 GLN A 861 23.337 7.260 28.533 1.00 29.36 O ATOM 1385 NE2 GLN A 861 24.688 5.445 28.318 1.00 29.13 N ATOM 0 H GLN A 861 19.943 7.542 24.743 1.00 16.75 H new ATOM 0 HA GLN A 861 22.001 5.972 24.517 1.00 17.23 H new ATOM 0 HB2 GLN A 861 21.920 7.454 26.314 1.00 19.74 H new ATOM 0 HB3 GLN A 861 20.803 6.597 26.986 1.00 19.74 H new ATOM 0 HG2 GLN A 861 22.216 4.827 27.391 1.00 24.84 H new ATOM 0 HG3 GLN A 861 23.184 5.227 26.235 1.00 24.84 H new ATOM 0 HE21 GLN A 861 24.847 4.704 27.912 1.00 29.13 H new ATOM 0 HE22 GLN A 861 25.215 5.715 28.941 1.00 29.13 H new ATOM 1386 N ASP A 862 19.335 4.464 25.342 1.00 18.80 N ATOM 1387 CA AASP A 862 18.756 3.123 25.462 0.49 20.99 C ATOM 1388 CA BASP A 862 18.783 3.118 25.449 0.51 21.10 C ATOM 1389 C ASP A 862 18.916 2.326 24.141 1.00 21.65 C ATOM 1390 O ASP A 862 19.200 1.113 24.139 1.00 19.41 O ATOM 1391 CB AASP A 862 17.277 3.213 25.902 0.49 20.66 C ATOM 1392 CB BASP A 862 17.318 3.163 25.869 0.51 20.90 C ATOM 1393 CG AASP A 862 17.112 3.474 27.417 0.49 25.65 C ATOM 1394 CG BASP A 862 16.803 1.791 26.304 0.51 26.25 C ATOM 1395 OD1AASP A 862 18.115 3.463 28.153 0.49 25.23 O ATOM 1396 OD1BASP A 862 17.567 1.037 26.925 0.51 29.82 O ATOM 1397 OD2AASP A 862 15.960 3.741 27.910 0.49 30.97 O ATOM 1398 OD2BASP A 862 15.627 1.486 26.046 0.51 27.58 O ATOM 0 H AASP A 862 18.780 5.115 25.430 0.49 18.80 H new ATOM 0 H BASP A 862 18.774 5.109 25.435 0.51 18.80 H new ATOM 0 HA AASP A 862 19.241 2.638 26.148 0.49 21.10 H new ATOM 0 HA BASP A 862 19.302 2.661 26.129 0.51 21.10 H new ATOM 0 HB2AASP A 862 16.840 3.924 25.407 0.49 20.90 H new ATOM 0 HB2BASP A 862 17.211 3.794 26.598 0.51 20.90 H new ATOM 0 HB3AASP A 862 16.825 2.387 25.670 0.49 20.90 H new ATOM 0 HB3BASP A 862 16.781 3.490 25.130 0.51 20.90 H new ATOM 1399 N ILE A 863 18.727 2.978 22.990 1.00 17.61 N ATOM 1400 CA ILE A 863 18.946 2.354 21.688 1.00 18.81 C ATOM 1401 C ILE A 863 20.382 1.949 21.544 1.00 17.68 C ATOM 1402 O ILE A 863 20.716 0.832 21.125 1.00 19.30 O ATOM 1403 CB ILE A 863 18.561 3.360 20.517 1.00 20.98 C ATOM 1404 CG1 ILE A 863 17.094 3.732 20.635 1.00 24.31 C ATOM 1405 CG2 ILE A 863 18.946 2.829 19.143 1.00 20.84 C ATOM 1406 CD1 ILE A 863 16.197 2.592 20.392 1.00 26.62 C ATOM 0 H ILE A 863 18.467 3.797 22.946 1.00 17.61 H new ATOM 0 HA ILE A 863 18.382 1.567 21.629 1.00 18.81 H new ATOM 0 HB ILE A 863 19.082 4.173 20.615 1.00 20.98 H new ATOM 0 HG12 ILE A 863 16.925 4.088 21.521 1.00 24.31 H new ATOM 0 HG13 ILE A 863 16.892 4.438 20.002 1.00 24.31 H new ATOM 0 HG21 ILE A 863 18.693 3.474 18.464 1.00 20.84 H new ATOM 0 HG22 ILE A 863 19.904 2.684 19.109 1.00 20.84 H new ATOM 0 HG23 ILE A 863 18.486 1.991 18.979 1.00 20.84 H new ATOM 0 HD11 ILE A 863 15.275 2.881 20.479 1.00 26.62 H new ATOM 0 HD12 ILE A 863 16.345 2.249 19.497 1.00 26.62 H new ATOM 0 HD13 ILE A 863 16.379 1.893 21.040 1.00 26.62 H new ATOM 1407 N PHE A 864 21.300 2.851 21.877 1.00 16.34 N ATOM 1408 CA PHE A 864 22.730 2.527 21.863 1.00 16.78 C ATOM 1409 C PHE A 864 23.011 1.250 22.704 1.00 16.77 C ATOM 1410 O PHE A 864 23.694 0.390 22.240 1.00 16.69 O ATOM 1411 CB PHE A 864 23.599 3.708 22.352 1.00 17.97 C ATOM 1412 CG PHE A 864 25.063 3.368 22.488 1.00 15.42 C ATOM 1413 CD1 PHE A 864 25.867 3.175 21.400 1.00 16.08 C ATOM 1414 CD2 PHE A 864 25.619 3.153 23.771 1.00 16.95 C ATOM 1415 CE1 PHE A 864 27.186 2.872 21.549 1.00 17.54 C ATOM 1416 CE2 PHE A 864 26.965 2.786 23.941 1.00 17.39 C ATOM 1417 CZ PHE A 864 27.755 2.673 22.803 1.00 16.86 C ATOM 0 H PHE A 864 21.119 3.657 22.115 1.00 16.34 H new ATOM 0 HA PHE A 864 22.977 2.353 20.941 1.00 16.78 H new ATOM 0 HB2 PHE A 864 23.503 4.448 21.732 1.00 17.97 H new ATOM 0 HB3 PHE A 864 23.265 4.012 23.210 1.00 17.97 H new ATOM 0 HD1 PHE A 864 25.508 3.252 20.545 1.00 16.08 H new ATOM 0 HD2 PHE A 864 25.080 3.257 24.522 1.00 16.95 H new ATOM 0 HE1 PHE A 864 27.721 2.796 20.792 1.00 17.54 H new ATOM 0 HE2 PHE A 864 27.316 2.624 24.787 1.00 17.39 H new ATOM 0 HZ PHE A 864 28.658 2.466 22.879 1.00 16.86 H new ATOM 1418 N GLU A 865 22.564 1.253 23.952 1.00 16.79 N ATOM 1419 CA GLU A 865 22.902 0.168 24.918 1.00 18.58 C ATOM 1420 C GLU A 865 22.320 -1.170 24.505 1.00 17.42 C ATOM 1421 O GLU A 865 23.054 -2.221 24.559 1.00 17.83 O ATOM 1422 CB GLU A 865 22.552 0.535 26.309 1.00 18.64 C ATOM 1423 CG GLU A 865 23.269 1.726 26.945 1.00 19.69 C ATOM 1424 CD GLU A 865 24.779 1.631 27.105 1.00 22.53 C ATOM 1425 OE1 GLU A 865 25.338 0.479 27.063 1.00 22.98 O ATOM 1426 OE2 GLU A 865 25.477 2.653 27.389 1.00 22.71 O ATOM 0 H GLU A 865 22.060 1.870 24.277 1.00 16.79 H new ATOM 0 HA GLU A 865 23.866 0.062 24.896 1.00 18.58 H new ATOM 0 HB2 GLU A 865 21.599 0.714 26.337 1.00 18.64 H new ATOM 0 HB3 GLU A 865 22.712 -0.241 26.869 1.00 18.64 H new ATOM 0 HG2 GLU A 865 23.073 2.513 26.413 1.00 19.69 H new ATOM 0 HG3 GLU A 865 22.883 1.874 27.823 1.00 19.69 H new ATOM 1427 N LYS A 866 21.105 -1.199 24.032 1.00 18.94 N ATOM 1428 CA LYS A 866 20.488 -2.474 23.565 1.00 18.84 C ATOM 1429 C LYS A 866 21.238 -3.002 22.378 1.00 21.21 C ATOM 1430 O LYS A 866 21.517 -4.198 22.286 1.00 19.42 O ATOM 1431 CB LYS A 866 19.026 -2.246 23.148 1.00 21.40 C ATOM 1432 CG LYS A 866 18.039 -2.115 24.297 1.00 25.47 C ATOM 1433 CD LYS A 866 16.622 -1.883 23.704 1.00 28.90 C ATOM 1434 CE LYS A 866 15.602 -1.504 24.790 1.00 38.34 C ATOM 1435 NZ LYS A 866 15.132 -2.761 25.445 1.00 40.63 N ATOM 0 H LYS A 866 20.598 -0.508 23.961 1.00 18.94 H new ATOM 0 HA LYS A 866 20.524 -3.110 24.297 1.00 18.84 H new ATOM 0 HB2 LYS A 866 18.980 -1.442 22.608 1.00 21.40 H new ATOM 0 HB3 LYS A 866 18.747 -2.983 22.583 1.00 21.40 H new ATOM 0 HG2 LYS A 866 18.049 -2.917 24.843 1.00 25.47 H new ATOM 0 HG3 LYS A 866 18.289 -1.376 24.873 1.00 25.47 H new ATOM 0 HD2 LYS A 866 16.662 -1.179 23.038 1.00 28.90 H new ATOM 0 HD3 LYS A 866 16.326 -2.687 23.249 1.00 28.90 H new ATOM 0 HE2 LYS A 866 16.007 -0.913 25.444 1.00 38.34 H new ATOM 0 HE3 LYS A 866 14.854 -1.025 24.400 1.00 38.34 H new ATOM 0 HZ1 LYS A 866 14.539 -2.562 26.078 1.00 40.63 H new ATOM 0 HZ2 LYS A 866 14.751 -3.288 24.837 1.00 40.63 H new ATOM 0 HZ3 LYS A 866 15.825 -3.183 25.810 1.00 40.63 H new ATOM 1436 N ASN A 867 21.604 -2.134 21.423 1.00 17.77 N ATOM 1437 CA ASN A 867 22.327 -2.599 20.282 1.00 17.98 C ATOM 1438 C ASN A 867 23.773 -3.025 20.617 1.00 17.45 C ATOM 1439 O ASN A 867 24.343 -3.950 19.954 1.00 18.93 O ATOM 1440 CB ASN A 867 22.307 -1.576 19.116 1.00 18.46 C ATOM 1441 CG ASN A 867 20.981 -1.598 18.373 1.00 19.91 C ATOM 1442 OD1 ASN A 867 20.735 -2.473 17.536 1.00 21.53 O ATOM 1443 ND2 ASN A 867 20.082 -0.684 18.700 1.00 21.36 N ATOM 0 H ASN A 867 21.437 -1.290 21.434 1.00 17.77 H new ATOM 0 HA ASN A 867 21.858 -3.395 19.986 1.00 17.98 H new ATOM 0 HB2 ASN A 867 22.469 -0.685 19.464 1.00 18.46 H new ATOM 0 HB3 ASN A 867 23.028 -1.775 18.498 1.00 18.46 H new ATOM 0 HD21 ASN A 867 19.307 -0.691 18.328 1.00 21.36 H new ATOM 0 HD22 ASN A 867 20.273 -0.083 19.285 1.00 21.36 H new ATOM 1444 N PHE A 868 24.401 -2.316 21.591 1.00 17.11 N ATOM 1445 CA PHE A 868 25.736 -2.723 22.060 1.00 17.39 C ATOM 1446 C PHE A 868 25.676 -4.135 22.589 1.00 17.57 C ATOM 1447 O PHE A 868 26.509 -4.982 22.185 1.00 17.96 O ATOM 1448 CB PHE A 868 26.231 -1.739 23.116 1.00 17.23 C ATOM 1449 CG PHE A 868 27.557 -2.145 23.771 1.00 18.62 C ATOM 1450 CD1 PHE A 868 28.723 -2.118 23.087 1.00 16.55 C ATOM 1451 CD2 PHE A 868 27.516 -2.741 25.031 1.00 24.22 C ATOM 1452 CE1 PHE A 868 29.961 -2.499 23.679 1.00 18.21 C ATOM 1453 CE2 PHE A 868 28.707 -3.165 25.649 1.00 22.86 C ATOM 1454 CZ PHE A 868 29.906 -3.022 24.980 1.00 21.41 C ATOM 0 H PHE A 868 24.076 -1.619 21.976 1.00 17.11 H new ATOM 0 HA PHE A 868 26.368 -2.708 21.324 1.00 17.39 H new ATOM 0 HB2 PHE A 868 26.336 -0.866 22.707 1.00 17.23 H new ATOM 0 HB3 PHE A 868 25.554 -1.650 23.805 1.00 17.23 H new ATOM 0 HD1 PHE A 868 28.716 -1.841 22.199 1.00 16.55 H new ATOM 0 HD2 PHE A 868 26.701 -2.858 25.463 1.00 24.22 H new ATOM 0 HE1 PHE A 868 30.767 -2.406 23.225 1.00 18.21 H new ATOM 0 HE2 PHE A 868 28.687 -3.538 26.501 1.00 22.86 H new ATOM 0 HZ PHE A 868 30.695 -3.278 25.401 1.00 21.41 H new ATOM 1455 N ARG A 869 24.680 -4.413 23.422 1.00 18.06 N ATOM 1456 CA ARG A 869 24.582 -5.762 24.055 1.00 19.14 C ATOM 1457 C ARG A 869 24.312 -6.808 22.955 1.00 21.79 C ATOM 1458 O ARG A 869 24.860 -7.902 23.012 1.00 20.85 O ATOM 1459 CB ARG A 869 23.526 -5.755 25.124 1.00 18.67 C ATOM 1460 CG ARG A 869 23.922 -4.961 26.319 1.00 19.79 C ATOM 1461 CD ARG A 869 22.972 -5.146 27.471 1.00 21.94 C ATOM 1462 NE ARG A 869 21.591 -4.850 27.224 1.00 21.54 N ATOM 1463 CZ ARG A 869 21.028 -3.659 27.406 1.00 25.58 C ATOM 1464 NH1 ARG A 869 21.777 -2.615 27.825 1.00 24.77 N ATOM 1465 NH2 ARG A 869 19.739 -3.484 27.153 1.00 26.97 N ATOM 0 H ARG A 869 24.057 -3.862 23.641 1.00 18.06 H new ATOM 0 HA ARG A 869 25.415 -5.998 24.492 1.00 19.14 H new ATOM 0 HB2 ARG A 869 22.704 -5.393 24.758 1.00 18.67 H new ATOM 0 HB3 ARG A 869 23.339 -6.668 25.394 1.00 18.67 H new ATOM 0 HG2 ARG A 869 24.815 -5.220 26.595 1.00 19.79 H new ATOM 0 HG3 ARG A 869 23.960 -4.021 26.082 1.00 19.79 H new ATOM 0 HD2 ARG A 869 23.035 -6.067 27.770 1.00 21.94 H new ATOM 0 HD3 ARG A 869 23.274 -4.588 28.205 1.00 21.94 H new ATOM 0 HE ARG A 869 21.091 -5.488 26.938 1.00 21.54 H new ATOM 0 HH11 ARG A 869 22.617 -2.721 27.974 1.00 24.77 H new ATOM 0 HH12 ARG A 869 21.413 -1.845 27.943 1.00 24.77 H new ATOM 0 HH21 ARG A 869 19.263 -4.142 26.870 1.00 26.97 H new ATOM 0 HH22 ARG A 869 19.378 -2.712 27.272 1.00 26.97 H new ATOM 1466 N ASN A 870 23.515 -6.454 21.932 1.00 18.95 N ATOM 1467 CA ASN A 870 23.264 -7.409 20.828 1.00 20.65 C ATOM 1468 C ASN A 870 24.477 -7.652 19.969 1.00 20.43 C ATOM 1469 O ASN A 870 24.920 -8.808 19.733 1.00 21.97 O ATOM 1470 CB ASN A 870 22.054 -6.920 19.994 1.00 20.65 C ATOM 1471 CG ASN A 870 21.748 -7.830 18.806 1.00 28.45 C ATOM 1472 OD1 ASN A 870 22.099 -7.539 17.693 1.00 36.43 O ATOM 1473 ND2 ASN A 870 21.221 -8.996 19.091 1.00 31.90 N ATOM 0 H ASN A 870 23.121 -5.693 21.856 1.00 18.95 H new ATOM 0 HA ASN A 870 23.055 -8.271 21.220 1.00 20.65 H new ATOM 0 HB2 ASN A 870 21.272 -6.868 20.566 1.00 20.65 H new ATOM 0 HB3 ASN A 870 22.230 -6.022 19.672 1.00 20.65 H new ATOM 0 HD21 ASN A 870 21.116 -9.583 18.472 1.00 31.90 H new ATOM 0 HD22 ASN A 870 20.980 -9.173 19.897 1.00 31.90 H new ATOM 1474 N ILE A 871 25.086 -6.590 19.460 1.00 19.06 N ATOM 1475 CA ILE A 871 26.141 -6.719 18.482 1.00 18.74 C ATOM 1476 C ILE A 871 27.398 -7.396 19.054 1.00 21.01 C ATOM 1477 O ILE A 871 28.064 -8.223 18.355 1.00 21.83 O ATOM 1478 CB ILE A 871 26.482 -5.284 17.904 1.00 19.41 C ATOM 1479 CG1 ILE A 871 25.298 -4.884 17.012 1.00 18.44 C ATOM 1480 CG2 ILE A 871 27.736 -5.309 17.094 1.00 21.36 C ATOM 1481 CD1 ILE A 871 25.299 -3.377 16.703 1.00 20.90 C ATOM 0 H ILE A 871 24.897 -5.779 19.674 1.00 19.06 H new ATOM 0 HA ILE A 871 25.826 -7.297 17.769 1.00 18.74 H new ATOM 0 HB ILE A 871 26.622 -4.653 18.627 1.00 19.41 H new ATOM 0 HG12 ILE A 871 25.335 -5.384 16.182 1.00 18.44 H new ATOM 0 HG13 ILE A 871 24.467 -5.124 17.451 1.00 18.44 H new ATOM 0 HG21 ILE A 871 27.920 -4.419 16.754 1.00 21.36 H new ATOM 0 HG22 ILE A 871 28.475 -5.601 17.650 1.00 21.36 H new ATOM 0 HG23 ILE A 871 27.629 -5.923 16.351 1.00 21.36 H new ATOM 0 HD11 ILE A 871 24.540 -3.162 16.139 1.00 20.90 H new ATOM 0 HD12 ILE A 871 25.238 -2.877 17.532 1.00 20.90 H new ATOM 0 HD13 ILE A 871 26.120 -3.141 16.243 1.00 20.90 H new ATOM 1482 N PHE A 872 27.673 -7.073 20.314 1.00 17.83 N ATOM 1483 CA PHE A 872 28.899 -7.612 20.934 1.00 19.15 C ATOM 1484 C PHE A 872 28.538 -8.808 21.814 1.00 20.61 C ATOM 1485 O PHE A 872 29.424 -9.289 22.524 1.00 20.93 O ATOM 1486 CB PHE A 872 29.669 -6.536 21.700 1.00 20.05 C ATOM 1487 CG PHE A 872 30.349 -5.586 20.821 1.00 19.31 C ATOM 1488 CD1 PHE A 872 31.610 -5.808 20.354 1.00 20.68 C ATOM 1489 CD2 PHE A 872 29.708 -4.412 20.502 1.00 20.14 C ATOM 1490 CE1 PHE A 872 32.253 -4.910 19.514 1.00 22.97 C ATOM 1491 CE2 PHE A 872 30.320 -3.508 19.663 1.00 25.39 C ATOM 1492 CZ PHE A 872 31.570 -3.725 19.194 1.00 22.37 C ATOM 0 H PHE A 872 27.192 -6.566 20.815 1.00 17.83 H new ATOM 0 HA PHE A 872 29.499 -7.917 20.235 1.00 19.15 H new ATOM 0 HB2 PHE A 872 29.055 -6.054 22.276 1.00 20.05 H new ATOM 0 HB3 PHE A 872 30.323 -6.962 22.276 1.00 20.05 H new ATOM 0 HD1 PHE A 872 32.053 -6.586 20.606 1.00 20.68 H new ATOM 0 HD2 PHE A 872 28.866 -4.230 20.851 1.00 20.14 H new ATOM 0 HE1 PHE A 872 33.102 -5.086 19.177 1.00 22.97 H new ATOM 0 HE2 PHE A 872 29.866 -2.735 19.415 1.00 25.39 H new ATOM 0 HZ PHE A 872 31.980 -3.086 18.657 1.00 22.37 H new ATOM 1493 N ALA A 873 27.324 -9.310 21.719 1.00 19.18 N ATOM 1494 CA ALA A 873 26.937 -10.581 22.425 1.00 19.79 C ATOM 1495 C ALA A 873 27.286 -10.526 23.927 1.00 21.40 C ATOM 1496 O ALA A 873 27.975 -11.386 24.494 1.00 22.23 O ATOM 1497 CB ALA A 873 27.598 -11.745 21.739 1.00 20.86 C ATOM 0 H ALA A 873 26.691 -8.952 21.259 1.00 19.18 H new ATOM 0 HA ALA A 873 25.975 -10.692 22.375 1.00 19.79 H new ATOM 0 HB1 ALA A 873 27.353 -12.568 22.189 1.00 20.86 H new ATOM 0 HB2 ALA A 873 27.307 -11.784 20.814 1.00 20.86 H new ATOM 0 HB3 ALA A 873 28.561 -11.635 21.770 1.00 20.86 H new ATOM 1498 N ILE A 874 26.890 -9.439 24.583 1.00 18.18 N ATOM 1499 CA ILE A 874 27.121 -9.324 25.974 1.00 21.19 C ATOM 1500 C ILE A 874 26.236 -10.367 26.690 1.00 21.73 C ATOM 1501 O ILE A 874 25.084 -10.561 26.382 1.00 21.47 O ATOM 1502 CB ILE A 874 26.813 -7.892 26.479 1.00 20.91 C ATOM 1503 CG1 ILE A 874 27.733 -6.953 25.797 1.00 22.60 C ATOM 1504 CG2 ILE A 874 26.915 -7.799 27.987 1.00 23.37 C ATOM 1505 CD1 ILE A 874 29.186 -7.118 25.984 1.00 25.77 C ATOM 0 H ILE A 874 26.488 -8.769 24.223 1.00 18.18 H new ATOM 0 HA ILE A 874 28.057 -9.491 26.168 1.00 21.19 H new ATOM 0 HB ILE A 874 25.897 -7.656 26.263 1.00 20.91 H new ATOM 0 HG12 ILE A 874 27.552 -7.004 24.845 1.00 22.60 H new ATOM 0 HG13 ILE A 874 27.501 -6.055 26.082 1.00 22.60 H new ATOM 0 HG21 ILE A 874 26.717 -6.892 28.270 1.00 23.37 H new ATOM 0 HG22 ILE A 874 26.280 -8.410 28.393 1.00 23.37 H new ATOM 0 HG23 ILE A 874 27.814 -8.035 28.266 1.00 23.37 H new ATOM 0 HD11 ILE A 874 29.657 -6.436 25.480 1.00 25.77 H new ATOM 0 HD12 ILE A 874 29.403 -7.032 26.925 1.00 25.77 H new ATOM 0 HD13 ILE A 874 29.455 -7.995 25.670 1.00 25.77 H new ATOM 1506 N GLN A 875 26.823 -11.005 27.716 1.00 22.64 N ATOM 1507 CA GLN A 875 26.093 -11.988 28.555 1.00 23.81 C ATOM 1508 C GLN A 875 24.839 -11.365 29.174 1.00 24.47 C ATOM 1509 O GLN A 875 24.906 -10.332 29.853 1.00 24.75 O ATOM 1510 CB GLN A 875 27.018 -12.583 29.652 1.00 25.55 C ATOM 1511 CG GLN A 875 26.285 -13.529 30.675 1.00 25.70 C ATOM 1512 CD GLN A 875 25.678 -14.758 30.004 1.00 26.58 C ATOM 1513 OE1 GLN A 875 26.353 -15.447 29.251 1.00 26.32 O ATOM 1514 NE2 GLN A 875 24.430 -15.024 30.245 1.00 25.98 N ATOM 0 H GLN A 875 27.643 -10.886 27.946 1.00 22.64 H new ATOM 0 HA GLN A 875 25.809 -12.714 27.978 1.00 23.81 H new ATOM 0 HB2 GLN A 875 27.733 -13.080 29.223 1.00 25.55 H new ATOM 0 HB3 GLN A 875 27.432 -11.855 30.141 1.00 25.55 H new ATOM 0 HG2 GLN A 875 26.915 -13.814 31.356 1.00 25.70 H new ATOM 0 HG3 GLN A 875 25.585 -13.032 31.126 1.00 25.70 H new ATOM 0 HE21 GLN A 875 23.979 -14.523 30.779 1.00 25.98 H new ATOM 0 HE22 GLN A 875 24.055 -15.701 29.871 1.00 25.98 H new ATOM 1515 N GLU A 876 23.704 -11.996 28.947 1.00 23.43 N ATOM 1516 CA GLU A 876 22.457 -11.580 29.551 1.00 26.24 C ATOM 1517 C GLU A 876 22.476 -11.689 31.060 1.00 30.07 C ATOM 1518 O GLU A 876 22.950 -12.686 31.603 1.00 28.69 O ATOM 1519 CB GLU A 876 21.277 -12.351 28.962 1.00 32.31 C ATOM 1520 CG GLU A 876 20.978 -11.978 27.510 1.00 35.79 C ATOM 1521 CD GLU A 876 20.180 -10.658 27.377 1.00 38.98 C ATOM 1522 OE1 GLU A 876 18.991 -10.610 27.739 1.00 44.13 O ATOM 1523 OE2 GLU A 876 20.741 -9.637 26.946 1.00 42.72 O ATOM 0 H GLU A 876 23.635 -12.683 28.434 1.00 23.43 H new ATOM 0 HA GLU A 876 22.346 -10.640 29.340 1.00 26.24 H new ATOM 0 HB2 GLU A 876 21.461 -13.302 29.014 1.00 32.31 H new ATOM 0 HB3 GLU A 876 20.488 -12.185 29.501 1.00 32.31 H new ATOM 0 HG2 GLU A 876 21.813 -11.896 27.024 1.00 35.79 H new ATOM 0 HG3 GLU A 876 20.477 -12.696 27.093 1.00 35.79 H new ATOM 1524 N THR A 877 22.037 -10.615 31.732 1.00 34.06 N ATOM 1525 CA THR A 877 21.815 -10.656 33.219 1.00 43.73 C ATOM 1526 C THR A 877 20.425 -10.136 33.599 1.00 58.66 C ATOM 1527 O THR A 877 19.782 -9.426 32.809 1.00 65.37 O ATOM 1528 CB THR A 877 22.837 -9.776 33.975 1.00 47.07 C ATOM 1529 OG1 THR A 877 22.831 -8.464 33.412 1.00 49.02 O ATOM 1530 CG2 THR A 877 24.229 -10.367 33.877 1.00 49.02 C ATOM 0 H THR A 877 21.860 -9.857 31.366 1.00 34.06 H new ATOM 0 HA THR A 877 21.913 -11.588 33.470 1.00 43.73 H new ATOM 0 HB THR A 877 22.587 -9.736 34.911 1.00 47.07 H new ATOM 0 HG1 THR A 877 23.384 -7.981 33.820 1.00 49.02 H new ATOM 0 HG21 THR A 877 24.855 -9.802 34.356 1.00 49.02 H new ATOM 0 HG22 THR A 877 24.232 -11.255 34.267 1.00 49.02 H new ATOM 0 HG23 THR A 877 24.492 -10.422 32.945 1.00 49.02 H new ATOM 1531 N SER A 878 19.975 -10.495 34.806 1.00 75.41 N ATOM 1532 CA SER A 878 18.893 -9.763 35.504 1.00 80.44 C ATOM 1533 C SER A 878 19.402 -8.398 35.936 1.00 76.63 C ATOM 1534 O SER A 878 18.618 -7.609 36.481 1.00 92.61 O ATOM 1535 CB SER A 878 18.412 -10.516 36.753 1.00 84.19 C ATOM 1536 OG SER A 878 19.471 -10.691 37.682 1.00 86.49 O ATOM 0 H SER A 878 20.283 -11.166 35.247 1.00 75.41 H new ATOM 0 HA SER A 878 18.150 -9.678 34.886 1.00 80.44 H new ATOM 0 HB2 SER A 878 17.688 -10.025 37.172 1.00 84.19 H new ATOM 0 HB3 SER A 878 18.057 -11.381 36.496 1.00 84.19 H new ATOM 0 HG SER A 878 19.187 -11.103 38.357 1.00 86.49 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.589 40.792 40.482 1.00 52.02 N ATOM 1539 CA GLU B 700 -5.529 40.884 39.437 1.00 54.31 C ATOM 1540 C GLU B 700 -5.422 39.627 38.491 1.00 55.82 C ATOM 1541 O GLU B 700 -4.660 39.687 37.523 1.00 62.93 O ATOM 1542 CB GLU B 700 -4.172 41.225 40.083 1.00 48.86 C ATOM 0 HA GLU B 700 -5.798 41.606 38.848 1.00 54.31 H new ATOM 1543 N ASN B 701 -6.147 38.522 38.762 1.00 44.48 N ATOM 1544 CA ASN B 701 -6.298 37.424 37.765 1.00 39.88 C ATOM 1545 C ASN B 701 -7.752 37.123 37.389 1.00 41.18 C ATOM 1546 O ASN B 701 -8.660 37.345 38.194 1.00 37.09 O ATOM 1547 CB ASN B 701 -5.667 36.140 38.274 1.00 40.65 C ATOM 1548 CG ASN B 701 -4.159 36.193 38.233 1.00 42.20 C ATOM 1549 OD1 ASN B 701 -3.494 35.747 37.229 1.00 36.34 O ATOM 1550 ND2 ASN B 701 -3.589 36.726 39.311 1.00 38.47 N ATOM 0 H ASN B 701 -6.556 38.386 39.506 1.00 44.48 H new ATOM 0 HA ASN B 701 -5.845 37.744 36.970 1.00 39.88 H new ATOM 0 HB2 ASN B 701 -5.959 35.976 39.184 1.00 40.65 H new ATOM 0 HB3 ASN B 701 -5.978 35.394 37.738 1.00 40.65 H new ATOM 0 HD21 ASN B 701 -2.732 36.785 39.360 1.00 38.47 H new ATOM 0 HD22 ASN B 701 -4.077 37.011 39.959 1.00 38.47 H new ATOM 1551 N SER B 702 -7.978 36.626 36.169 1.00 35.72 N ATOM 1552 CA SER B 702 -9.279 36.249 35.701 1.00 33.88 C ATOM 1553 C SER B 702 -9.895 35.141 36.580 1.00 28.10 C ATOM 1554 O SER B 702 -9.196 34.278 37.122 1.00 31.17 O ATOM 1555 CB SER B 702 -9.150 35.750 34.246 1.00 34.64 C ATOM 1556 OG SER B 702 -10.414 35.335 33.749 1.00 32.37 O ATOM 0 H SER B 702 -7.354 36.502 35.590 1.00 35.72 H new ATOM 0 HA SER B 702 -9.866 37.020 35.747 1.00 33.88 H new ATOM 0 HB2 SER B 702 -8.792 36.457 33.686 1.00 34.64 H new ATOM 0 HB3 SER B 702 -8.522 35.012 34.206 1.00 34.64 H new ATOM 0 HG SER B 702 -10.330 35.067 32.957 1.00 32.37 H new ATOM 1557 N ASN B 703 -11.242 35.173 36.715 1.00 31.29 N ATOM 1558 CA ASN B 703 -11.992 34.054 37.344 1.00 29.44 C ATOM 1559 C ASN B 703 -12.573 33.044 36.364 1.00 28.43 C ATOM 1560 O ASN B 703 -13.400 32.211 36.703 1.00 31.39 O ATOM 1561 CB ASN B 703 -13.105 34.621 38.267 1.00 40.44 C ATOM 1562 CG ASN B 703 -14.208 35.314 37.491 1.00 52.05 C ATOM 1563 OD1 ASN B 703 -14.104 35.526 36.273 1.00 61.18 O ATOM 1564 ND2 ASN B 703 -15.271 35.731 38.210 1.00 62.81 N ATOM 0 H ASN B 703 -11.735 35.827 36.452 1.00 31.29 H new ATOM 0 HA ASN B 703 -11.341 33.556 37.862 1.00 29.44 H new ATOM 0 HB2 ASN B 703 -13.487 33.898 38.790 1.00 40.44 H new ATOM 0 HB3 ASN B 703 -12.712 35.248 38.894 1.00 40.44 H new ATOM 0 HD21 ASN B 703 -15.909 36.161 37.825 1.00 62.81 H new ATOM 0 HD22 ASN B 703 -15.311 35.567 39.053 1.00 62.81 H new ATOM 1565 N ILE B 704 -12.047 33.036 35.128 1.00 29.38 N ATOM 1566 CA ILE B 704 -12.373 31.971 34.195 1.00 28.72 C ATOM 1567 C ILE B 704 -11.061 31.506 33.495 1.00 24.47 C ATOM 1568 O ILE B 704 -10.152 32.265 33.338 1.00 26.01 O ATOM 1569 CB ILE B 704 -13.425 32.406 33.110 1.00 32.63 C ATOM 1570 CG1 ILE B 704 -13.014 33.641 32.343 1.00 36.26 C ATOM 1571 CG2 ILE B 704 -14.794 32.666 33.752 1.00 40.04 C ATOM 1572 CD1 ILE B 704 -13.992 33.974 31.217 1.00 41.32 C ATOM 0 H ILE B 704 -11.508 33.633 34.823 1.00 29.38 H new ATOM 0 HA ILE B 704 -12.777 31.248 34.700 1.00 28.72 H new ATOM 0 HB ILE B 704 -13.476 31.666 32.485 1.00 32.63 H new ATOM 0 HG12 ILE B 704 -12.956 34.394 32.952 1.00 36.26 H new ATOM 0 HG13 ILE B 704 -12.128 33.509 31.971 1.00 36.26 H new ATOM 0 HG21 ILE B 704 -15.427 32.933 33.067 1.00 40.04 H new ATOM 0 HG22 ILE B 704 -15.108 31.856 34.185 1.00 40.04 H new ATOM 0 HG23 ILE B 704 -14.714 33.374 34.411 1.00 40.04 H new ATOM 0 HD11 ILE B 704 -13.692 34.771 30.752 1.00 41.32 H new ATOM 0 HD12 ILE B 704 -14.033 33.232 30.593 1.00 41.32 H new ATOM 0 HD13 ILE B 704 -14.874 34.131 31.590 1.00 41.32 H new ATOM 1573 N CYS B 705 -11.096 30.260 33.078 1.00 23.40 N ATOM 1574 CA CYS B 705 -9.985 29.618 32.298 1.00 21.16 C ATOM 1575 C CYS B 705 -9.845 30.323 30.969 1.00 22.49 C ATOM 1576 O CYS B 705 -10.816 30.464 30.228 1.00 23.95 O ATOM 1577 CB CYS B 705 -10.292 28.183 32.105 1.00 21.83 C ATOM 1578 SG CYS B 705 -8.985 27.301 31.101 1.00 21.56 S ATOM 0 H CYS B 705 -11.760 29.734 33.227 1.00 23.40 H new ATOM 0 HA CYS B 705 -9.146 29.692 32.779 1.00 21.16 H new ATOM 0 HB2 CYS B 705 -10.375 27.754 32.971 1.00 21.83 H new ATOM 0 HB3 CYS B 705 -11.150 28.096 31.661 1.00 21.83 H new ATOM 1579 N GLU B 706 -8.634 30.759 30.631 1.00 20.88 N ATOM 1580 CA GLU B 706 -8.288 31.427 29.309 1.00 22.04 C ATOM 1581 C GLU B 706 -8.697 30.547 28.144 1.00 20.94 C ATOM 1582 O GLU B 706 -9.054 31.097 27.116 1.00 23.44 O ATOM 1583 CB GLU B 706 -6.795 31.685 29.251 1.00 23.97 C ATOM 1584 CG GLU B 706 -6.305 32.622 28.136 1.00 26.83 C ATOM 1585 CD GLU B 706 -6.641 34.093 28.369 1.00 29.59 C ATOM 1586 OE1 GLU B 706 -7.319 34.350 29.384 1.00 33.40 O ATOM 1587 OE2 GLU B 706 -6.136 34.949 27.577 1.00 31.53 O ATOM 0 H GLU B 706 -7.957 30.686 31.156 1.00 20.88 H new ATOM 0 HA GLU B 706 -8.770 32.267 29.247 1.00 22.04 H new ATOM 0 HB2 GLU B 706 -6.517 32.056 30.103 1.00 23.97 H new ATOM 0 HB3 GLU B 706 -6.343 30.832 29.152 1.00 23.97 H new ATOM 0 HG2 GLU B 706 -5.343 32.529 28.048 1.00 26.83 H new ATOM 0 HG3 GLU B 706 -6.696 32.340 27.294 1.00 26.83 H new ATOM 1588 N VAL B 707 -8.611 29.259 28.285 1.00 21.26 N ATOM 1589 CA VAL B 707 -8.809 28.339 27.158 1.00 23.03 C ATOM 1590 C VAL B 707 -10.276 27.986 26.915 1.00 22.75 C ATOM 1591 O VAL B 707 -10.818 28.205 25.798 1.00 22.89 O ATOM 1592 CB VAL B 707 -7.948 27.078 27.280 1.00 19.41 C ATOM 1593 CG1 VAL B 707 -8.111 26.169 26.037 1.00 24.55 C ATOM 1594 CG2 VAL B 707 -6.500 27.493 27.552 1.00 20.50 C ATOM 0 H VAL B 707 -8.436 28.870 29.032 1.00 21.26 H new ATOM 0 HA VAL B 707 -8.510 28.826 26.374 1.00 23.03 H new ATOM 0 HB VAL B 707 -8.244 26.538 28.030 1.00 19.41 H new ATOM 0 HG11 VAL B 707 -7.557 25.379 26.138 1.00 24.55 H new ATOM 0 HG12 VAL B 707 -9.040 25.903 25.950 1.00 24.55 H new ATOM 0 HG13 VAL B 707 -7.839 26.655 25.243 1.00 24.55 H new ATOM 0 HG21 VAL B 707 -5.946 26.701 27.631 1.00 20.50 H new ATOM 0 HG22 VAL B 707 -6.177 28.041 26.820 1.00 20.50 H new ATOM 0 HG23 VAL B 707 -6.458 28.000 28.378 1.00 20.50 H new ATOM 1595 N CYS B 708 -10.966 27.488 27.949 1.00 22.75 N ATOM 1596 CA CYS B 708 -12.334 26.997 27.810 1.00 23.23 C ATOM 1597 C CYS B 708 -13.405 27.961 28.348 1.00 27.37 C ATOM 1598 O CYS B 708 -14.588 27.643 28.161 1.00 26.70 O ATOM 1599 CB CYS B 708 -12.510 25.636 28.474 1.00 23.46 C ATOM 1600 SG CYS B 708 -12.440 25.679 30.316 1.00 22.99 S ATOM 0 H CYS B 708 -10.651 27.428 28.747 1.00 22.75 H new ATOM 0 HA CYS B 708 -12.470 26.921 26.853 1.00 23.23 H new ATOM 0 HB2 CYS B 708 -13.363 25.262 28.201 1.00 23.46 H new ATOM 0 HB3 CYS B 708 -11.820 25.037 28.148 1.00 23.46 H new ATOM 1601 N ASN B 709 -13.002 29.069 28.973 1.00 22.94 N ATOM 1602 CA ASN B 709 -13.903 30.096 29.509 1.00 26.28 C ATOM 1603 C ASN B 709 -14.810 29.662 30.615 1.00 27.28 C ATOM 1604 O ASN B 709 -15.822 30.358 30.873 1.00 28.65 O ATOM 1605 CB ASN B 709 -14.648 30.765 28.369 1.00 27.27 C ATOM 1606 CG ASN B 709 -13.724 31.228 27.287 1.00 32.48 C ATOM 1607 OD1 ASN B 709 -13.665 30.604 26.217 1.00 39.52 O ATOM 1608 ND2 ASN B 709 -12.965 32.273 27.544 1.00 33.57 N ATOM 0 H ASN B 709 -12.171 29.250 29.101 1.00 22.94 H new ATOM 0 HA ASN B 709 -13.333 30.743 29.953 1.00 26.28 H new ATOM 0 HB2 ASN B 709 -15.293 30.144 27.997 1.00 27.27 H new ATOM 0 HB3 ASN B 709 -15.148 31.522 28.711 1.00 27.27 H new ATOM 0 HD21 ASN B 709 -12.399 32.548 26.958 1.00 33.57 H new ATOM 0 HD22 ASN B 709 -13.035 32.680 28.298 1.00 33.57 H new ATOM 1609 N LYS B 710 -14.502 28.584 31.296 1.00 23.33 N ATOM 1610 CA LYS B 710 -15.286 28.042 32.432 1.00 24.74 C ATOM 1611 C LYS B 710 -14.574 28.352 33.778 1.00 30.19 C ATOM 1612 O LYS B 710 -13.362 28.620 33.881 1.00 27.62 O ATOM 1613 CB LYS B 710 -15.518 26.552 32.312 1.00 27.06 C ATOM 1614 CG LYS B 710 -16.224 26.133 31.009 1.00 32.11 C ATOM 1615 CD LYS B 710 -17.530 26.880 30.794 1.00 41.52 C ATOM 1616 CE LYS B 710 -18.308 26.277 29.618 1.00 51.23 C ATOM 1617 NZ LYS B 710 -19.660 26.866 29.375 1.00 54.41 N ATOM 0 H LYS B 710 -13.805 28.113 31.118 1.00 23.33 H new ATOM 0 HA LYS B 710 -16.152 28.478 32.410 1.00 24.74 H new ATOM 0 HB2 LYS B 710 -14.664 26.095 32.368 1.00 27.06 H new ATOM 0 HB3 LYS B 710 -16.049 26.254 33.067 1.00 27.06 H new ATOM 0 HG2 LYS B 710 -15.633 26.296 30.257 1.00 32.11 H new ATOM 0 HG3 LYS B 710 -16.399 25.179 31.031 1.00 32.11 H new ATOM 0 HD2 LYS B 710 -18.068 26.839 31.600 1.00 41.52 H new ATOM 0 HD3 LYS B 710 -17.348 27.817 30.622 1.00 41.52 H new ATOM 0 HE2 LYS B 710 -17.778 26.380 28.812 1.00 51.23 H new ATOM 0 HE3 LYS B 710 -18.410 25.325 29.771 1.00 51.23 H new ATOM 0 HZ1 LYS B 710 -20.040 26.461 28.679 1.00 54.41 H new ATOM 0 HZ2 LYS B 710 -20.168 26.753 30.097 1.00 54.41 H new ATOM 0 HZ3 LYS B 710 -19.579 27.736 29.204 1.00 54.41 H new ATOM 1618 N TRP B 711 -15.365 28.322 34.845 1.00 33.29 N ATOM 1619 CA TRP B 711 -14.904 28.693 36.178 1.00 34.65 C ATOM 1620 C TRP B 711 -14.397 27.424 36.848 1.00 29.36 C ATOM 1621 O TRP B 711 -14.511 26.301 36.356 1.00 30.50 O ATOM 1622 CB TRP B 711 -16.095 29.314 37.027 1.00 37.92 C ATOM 1623 CG TRP B 711 -16.823 28.265 37.854 1.00 45.22 C ATOM 1624 CD1 TRP B 711 -17.467 27.167 37.350 1.00 51.74 C ATOM 1625 CD2 TRP B 711 -16.920 28.160 39.318 1.00 49.64 C ATOM 1626 NE1 TRP B 711 -17.954 26.384 38.387 1.00 59.31 N ATOM 1627 CE2 TRP B 711 -17.647 26.960 39.597 1.00 57.12 C ATOM 1628 CE3 TRP B 711 -16.511 28.980 40.417 1.00 53.45 C ATOM 1629 CZ2 TRP B 711 -17.969 26.536 40.948 1.00 52.21 C ATOM 1630 CZ3 TRP B 711 -16.861 28.562 41.771 1.00 45.07 C ATOM 1631 CH2 TRP B 711 -17.552 27.341 42.000 1.00 47.08 C ATOM 0 H TRP B 711 -16.191 28.084 34.816 1.00 33.29 H new ATOM 0 HA TRP B 711 -14.203 29.361 36.120 1.00 34.65 H new ATOM 0 HB2 TRP B 711 -15.746 30.002 37.615 1.00 37.92 H new ATOM 0 HB3 TRP B 711 -16.725 29.746 36.429 1.00 37.92 H new ATOM 0 HD1 TRP B 711 -17.564 26.974 36.445 1.00 51.74 H new ATOM 0 HE1 TRP B 711 -18.385 25.646 38.287 1.00 59.31 H new ATOM 0 HE3 TRP B 711 -16.032 29.764 40.271 1.00 53.45 H new ATOM 0 HZ2 TRP B 711 -18.440 25.749 41.104 1.00 52.21 H new ATOM 0 HZ3 TRP B 711 -16.629 29.101 42.493 1.00 45.07 H new ATOM 0 HH2 TRP B 711 -17.729 27.075 42.874 1.00 47.08 H new ATOM 1632 N GLY B 712 -13.792 27.638 38.021 1.00 28.66 N ATOM 1633 CA GLY B 712 -13.485 26.579 38.909 1.00 26.42 C ATOM 1634 C GLY B 712 -12.118 25.931 38.794 1.00 27.88 C ATOM 1635 O GLY B 712 -11.691 25.703 37.711 1.00 26.67 O ATOM 0 H GLY B 712 -13.557 28.416 38.303 1.00 28.66 H new ATOM 0 HA2 GLY B 712 -13.581 26.913 39.815 1.00 26.42 H new ATOM 0 HA3 GLY B 712 -14.154 25.887 38.789 1.00 26.42 H new ATOM 1636 N ARG B 713 -11.510 25.528 39.907 1.00 27.81 N ATOM 1637 CA ARG B 713 -10.283 24.726 39.882 1.00 29.27 C ATOM 1638 C ARG B 713 -9.182 25.421 39.061 1.00 23.09 C ATOM 1639 O ARG B 713 -8.502 24.786 38.305 1.00 26.82 O ATOM 1640 CB ARG B 713 -10.638 23.312 39.397 1.00 29.78 C ATOM 1641 CG ARG B 713 -9.789 22.213 39.992 1.00 40.38 C ATOM 1642 CD ARG B 713 -10.113 20.803 39.521 1.00 44.80 C ATOM 1643 NE ARG B 713 -11.278 20.210 40.209 1.00 52.47 N ATOM 1644 CZ ARG B 713 -12.555 20.240 39.797 1.00 62.79 C ATOM 1645 NH1 ARG B 713 -13.495 19.649 40.547 1.00 59.13 N ATOM 1646 NH2 ARG B 713 -12.927 20.868 38.665 1.00 71.59 N ATOM 0 H ARG B 713 -11.795 25.710 40.698 1.00 27.81 H new ATOM 0 HA ARG B 713 -9.906 24.642 40.772 1.00 29.27 H new ATOM 0 HB2 ARG B 713 -11.569 23.135 39.606 1.00 29.78 H new ATOM 0 HB3 ARG B 713 -10.554 23.283 38.431 1.00 29.78 H new ATOM 0 HG2 ARG B 713 -8.859 22.399 39.789 1.00 40.38 H new ATOM 0 HG3 ARG B 713 -9.880 22.243 40.957 1.00 40.38 H new ATOM 0 HD2 ARG B 713 -10.283 20.819 38.566 1.00 44.80 H new ATOM 0 HD3 ARG B 713 -9.339 20.236 39.662 1.00 44.80 H new ATOM 0 HE ARG B 713 -11.122 19.803 40.950 1.00 52.47 H new ATOM 0 HH11 ARG B 713 -13.276 19.258 41.281 1.00 59.13 H new ATOM 0 HH12 ARG B 713 -14.317 19.661 40.294 1.00 59.13 H new ATOM 0 HH21 ARG B 713 -12.338 21.267 38.181 1.00 71.59 H new ATOM 0 HH22 ARG B 713 -13.753 20.870 38.426 1.00 71.59 H new ATOM 1647 N LEU B 714 -9.013 26.705 39.250 1.00 23.09 N ATOM 1648 CA LEU B 714 -8.154 27.510 38.449 1.00 21.36 C ATOM 1649 C LEU B 714 -6.772 27.733 39.081 1.00 26.01 C ATOM 1650 O LEU B 714 -6.618 27.904 40.269 1.00 25.41 O ATOM 1651 CB LEU B 714 -8.777 28.881 38.175 1.00 22.58 C ATOM 1652 CG LEU B 714 -10.041 28.912 37.372 1.00 22.07 C ATOM 1653 CD1 LEU B 714 -10.480 30.353 37.269 1.00 25.34 C ATOM 1654 CD2 LEU B 714 -9.783 28.307 35.932 1.00 22.99 C ATOM 0 H LEU B 714 -9.412 27.143 39.873 1.00 23.09 H new ATOM 0 HA LEU B 714 -8.039 27.016 37.622 1.00 21.36 H new ATOM 0 HB2 LEU B 714 -8.953 29.307 39.029 1.00 22.58 H new ATOM 0 HB3 LEU B 714 -8.117 29.425 37.717 1.00 22.58 H new ATOM 0 HG LEU B 714 -10.731 28.380 37.798 1.00 22.07 H new ATOM 0 HD11 LEU B 714 -11.299 30.406 36.752 1.00 25.34 H new ATOM 0 HD12 LEU B 714 -10.635 30.709 38.158 1.00 25.34 H new ATOM 0 HD13 LEU B 714 -9.788 30.872 36.830 1.00 25.34 H new ATOM 0 HD21 LEU B 714 -10.606 28.331 35.419 1.00 22.99 H new ATOM 0 HD22 LEU B 714 -9.104 28.830 35.478 1.00 22.99 H new ATOM 0 HD23 LEU B 714 -9.481 27.389 36.016 1.00 22.99 H new ATOM 1655 N PHE B 715 -5.761 27.792 38.222 1.00 25.70 N ATOM 1656 CA PHE B 715 -4.377 28.194 38.541 1.00 24.33 C ATOM 1657 C PHE B 715 -4.124 29.532 37.931 1.00 26.39 C ATOM 1658 O PHE B 715 -4.388 29.737 36.742 1.00 25.98 O ATOM 1659 CB PHE B 715 -3.422 27.163 37.999 1.00 24.36 C ATOM 1660 CG PHE B 715 -3.515 25.792 38.648 1.00 24.04 C ATOM 1661 CD1 PHE B 715 -4.404 24.835 38.210 1.00 24.81 C ATOM 1662 CD2 PHE B 715 -2.612 25.425 39.655 1.00 25.61 C ATOM 1663 CE1 PHE B 715 -4.485 23.595 38.787 1.00 28.49 C ATOM 1664 CE2 PHE B 715 -2.662 24.177 40.211 1.00 25.34 C ATOM 1665 CZ PHE B 715 -3.572 23.268 39.805 1.00 28.62 C ATOM 0 H PHE B 715 -5.860 27.590 37.392 1.00 25.70 H new ATOM 0 HA PHE B 715 -4.246 28.253 39.500 1.00 24.33 H new ATOM 0 HB2 PHE B 715 -3.579 27.066 37.047 1.00 24.36 H new ATOM 0 HB3 PHE B 715 -2.516 27.494 38.104 1.00 24.36 H new ATOM 0 HD1 PHE B 715 -4.968 25.037 37.499 1.00 24.81 H new ATOM 0 HD2 PHE B 715 -1.974 26.035 39.947 1.00 25.61 H new ATOM 0 HE1 PHE B 715 -5.129 22.983 38.512 1.00 28.49 H new ATOM 0 HE2 PHE B 715 -2.058 23.951 40.881 1.00 25.34 H new ATOM 0 HZ PHE B 715 -3.596 22.426 40.198 1.00 28.62 H new ATOM 1666 N CYS B 716 -3.638 30.485 38.721 1.00 24.58 N ATOM 1667 CA ACYS B 716 -3.378 31.816 38.210 0.64 27.89 C ATOM 1668 CA BCYS B 716 -3.350 31.841 38.239 0.36 27.13 C ATOM 1669 C CYS B 716 -1.909 31.969 37.803 1.00 26.66 C ATOM 1670 O CYS B 716 -1.022 31.403 38.449 1.00 32.90 O ATOM 1671 CB ACYS B 716 -3.852 32.857 39.229 0.64 33.48 C ATOM 1672 CB BCYS B 716 -3.615 32.886 39.325 0.36 30.06 C ATOM 1673 SG ACYS B 716 -5.592 32.610 39.745 0.64 39.02 S ATOM 1674 SG BCYS B 716 -2.478 32.838 40.736 0.36 32.83 S ATOM 0 H ACYS B 716 -3.454 30.377 39.554 0.64 24.58 H new ATOM 0 H BCYS B 716 -3.464 30.367 39.555 0.36 24.58 H new ATOM 0 HA ACYS B 716 -3.886 31.966 37.397 0.64 27.13 H new ATOM 0 HA BCYS B 716 -3.938 31.998 37.484 0.36 27.13 H new ATOM 0 HB2ACYS B 716 -3.279 32.821 40.011 0.64 30.06 H new ATOM 0 HB2BCYS B 716 -3.572 33.768 38.923 0.36 30.06 H new ATOM 0 HB3ACYS B 716 -3.756 33.744 38.847 0.64 30.06 H new ATOM 0 HB3BCYS B 716 -4.520 32.768 39.653 0.36 30.06 H new ATOM 0 HG ACYS B 716 -6.313 32.734 38.794 0.64 32.83 H new ATOM 0 HG BCYS B 716 -1.471 32.268 40.420 0.36 32.83 H new ATOM 1675 N CYS B 717 -1.687 32.726 36.738 1.00 25.30 N ATOM 1676 CA CYS B 717 -0.364 33.053 36.296 1.00 22.60 C ATOM 1677 C CYS B 717 0.159 34.178 37.246 1.00 29.33 C ATOM 1678 O CYS B 717 -0.611 35.119 37.584 1.00 31.63 O ATOM 1679 CB CYS B 717 -0.373 33.553 34.841 1.00 23.66 C ATOM 1680 SG CYS B 717 1.323 34.007 34.277 1.00 26.26 S ATOM 0 H CYS B 717 -2.313 33.063 36.254 1.00 25.30 H new ATOM 0 HA CYS B 717 0.207 32.269 36.324 1.00 22.60 H new ATOM 0 HB2 CYS B 717 -0.735 32.864 34.262 1.00 23.66 H new ATOM 0 HB3 CYS B 717 -0.958 34.323 34.765 1.00 23.66 H new ATOM 1681 N ASP B 718 1.430 34.093 37.631 1.00 30.84 N ATOM 1682 CA ASP B 718 2.019 35.103 38.510 1.00 33.39 C ATOM 1683 C ASP B 718 2.510 36.316 37.773 1.00 35.07 C ATOM 1684 O ASP B 718 2.833 37.347 38.447 1.00 36.48 O ATOM 1685 CB ASP B 718 3.121 34.459 39.376 1.00 39.12 C ATOM 1686 CG ASP B 718 2.533 33.475 40.413 1.00 49.65 C ATOM 1687 OD1 ASP B 718 1.575 33.874 41.083 1.00 52.54 O ATOM 1688 OD2 ASP B 718 2.964 32.312 40.557 1.00 49.42 O ATOM 0 H ASP B 718 1.966 33.463 37.397 1.00 30.84 H new ATOM 0 HA ASP B 718 1.317 35.433 39.093 1.00 33.39 H new ATOM 0 HB2 ASP B 718 3.749 33.990 38.805 1.00 39.12 H new ATOM 0 HB3 ASP B 718 3.619 35.153 39.835 1.00 39.12 H new ATOM 1689 N THR B 719 2.557 36.302 36.434 1.00 30.36 N ATOM 1690 CA THR B 719 3.111 37.448 35.681 1.00 29.62 C ATOM 1691 C THR B 719 2.191 38.107 34.703 1.00 30.71 C ATOM 1692 O THR B 719 2.597 39.056 34.026 1.00 32.27 O ATOM 1693 CB THR B 719 4.446 37.021 34.973 1.00 34.35 C ATOM 1694 OG1 THR B 719 4.298 35.739 34.319 1.00 30.31 O ATOM 1695 CG2 THR B 719 5.630 36.900 36.014 1.00 34.74 C ATOM 0 H THR B 719 2.279 35.651 35.946 1.00 30.36 H new ATOM 0 HA THR B 719 3.268 38.131 36.352 1.00 29.62 H new ATOM 0 HB THR B 719 4.649 37.708 34.319 1.00 34.35 H new ATOM 0 HG1 THR B 719 3.911 35.844 33.581 1.00 30.31 H new ATOM 0 HG21 THR B 719 6.441 36.636 35.552 1.00 34.74 H new ATOM 0 HG22 THR B 719 5.769 37.757 36.447 1.00 34.74 H new ATOM 0 HG23 THR B 719 5.407 36.233 36.682 1.00 34.74 H new ATOM 1696 N CYS B 720 0.962 37.567 34.573 1.00 30.79 N ATOM 1697 CA CYS B 720 -0.088 38.185 33.866 1.00 29.32 C ATOM 1698 C CYS B 720 -1.441 37.824 34.503 1.00 29.98 C ATOM 1699 O CYS B 720 -1.489 36.979 35.381 1.00 28.69 O ATOM 1700 CB CYS B 720 -0.051 37.846 32.389 1.00 27.29 C ATOM 1701 SG CYS B 720 -0.797 36.175 32.025 1.00 26.19 S ATOM 0 H CYS B 720 0.745 36.809 34.916 1.00 30.79 H new ATOM 0 HA CYS B 720 0.029 39.146 33.929 1.00 29.32 H new ATOM 0 HB2 CYS B 720 -0.530 38.527 31.891 1.00 27.29 H new ATOM 0 HB3 CYS B 720 0.868 37.862 32.079 1.00 27.29 H new ATOM 1702 N PRO B 721 -2.553 38.461 34.030 1.00 27.78 N ATOM 1703 CA PRO B 721 -3.842 38.195 34.643 1.00 32.89 C ATOM 1704 C PRO B 721 -4.538 36.877 34.284 1.00 28.32 C ATOM 1705 O PRO B 721 -5.625 36.584 34.809 1.00 29.08 O ATOM 1706 CB PRO B 721 -4.733 39.333 34.143 1.00 33.45 C ATOM 1707 CG PRO B 721 -3.891 40.188 33.246 1.00 37.78 C ATOM 1708 CD PRO B 721 -2.651 39.416 32.913 1.00 33.54 C ATOM 0 HA PRO B 721 -3.697 38.129 35.600 1.00 32.89 H new ATOM 0 HB2 PRO B 721 -5.499 38.983 33.663 1.00 33.45 H new ATOM 0 HB3 PRO B 721 -5.077 39.851 34.887 1.00 33.45 H new ATOM 0 HG2 PRO B 721 -4.377 40.416 32.438 1.00 37.78 H new ATOM 0 HG3 PRO B 721 -3.665 41.023 33.686 1.00 37.78 H new ATOM 0 HD2 PRO B 721 -2.727 38.964 32.058 1.00 33.54 H new ATOM 0 HD3 PRO B 721 -1.872 39.991 32.861 1.00 33.54 H new ATOM 1709 N ARG B 722 -3.918 36.043 33.444 1.00 25.36 N ATOM 1710 CA ARG B 722 -4.652 34.883 32.962 1.00 25.22 C ATOM 1711 C ARG B 722 -4.713 33.793 34.006 1.00 22.94 C ATOM 1712 O ARG B 722 -3.896 33.676 34.932 1.00 26.18 O ATOM 1713 CB ARG B 722 -3.974 34.391 31.718 1.00 25.00 C ATOM 1714 CG ARG B 722 -4.000 35.320 30.562 1.00 24.26 C ATOM 1715 CD ARG B 722 -3.206 34.727 29.406 1.00 23.37 C ATOM 1716 NE ARG B 722 -3.233 35.569 28.247 1.00 26.83 N ATOM 1717 CZ ARG B 722 -2.346 36.515 27.974 1.00 26.35 C ATOM 1718 NH1 ARG B 722 -1.336 36.812 28.792 1.00 29.36 N ATOM 1719 NH2 ARG B 722 -2.462 37.158 26.837 1.00 30.05 N ATOM 0 H ARG B 722 -3.112 36.127 33.156 1.00 25.36 H new ATOM 0 HA ARG B 722 -5.568 35.135 32.769 1.00 25.22 H new ATOM 0 HB2 ARG B 722 -3.049 34.191 31.931 1.00 25.00 H new ATOM 0 HB3 ARG B 722 -4.390 33.557 31.451 1.00 25.00 H new ATOM 0 HG2 ARG B 722 -4.916 35.482 30.287 1.00 24.26 H new ATOM 0 HG3 ARG B 722 -3.625 36.177 30.817 1.00 24.26 H new ATOM 0 HD2 ARG B 722 -2.287 34.590 29.683 1.00 23.37 H new ATOM 0 HD3 ARG B 722 -3.567 33.856 29.180 1.00 23.37 H new ATOM 0 HE ARG B 722 -3.874 35.451 27.686 1.00 26.83 H new ATOM 0 HH11 ARG B 722 -1.241 36.383 29.531 1.00 29.36 H new ATOM 0 HH12 ARG B 722 -0.780 37.433 28.581 1.00 29.36 H new ATOM 0 HH21 ARG B 722 -3.100 36.961 26.295 1.00 30.05 H new ATOM 0 HH22 ARG B 722 -1.900 37.777 26.634 1.00 30.05 H new ATOM 1720 N SER B 723 -5.750 32.980 33.883 1.00 23.05 N ATOM 1721 CA SER B 723 -5.965 31.822 34.713 1.00 20.77 C ATOM 1722 C SER B 723 -6.288 30.570 33.838 1.00 21.21 C ATOM 1723 O SER B 723 -6.774 30.709 32.678 1.00 23.72 O ATOM 1724 CB SER B 723 -7.149 32.048 35.725 1.00 27.47 C ATOM 1725 OG SER B 723 -6.791 33.097 36.692 1.00 27.94 O ATOM 0 H SER B 723 -6.365 33.096 33.293 1.00 23.05 H new ATOM 0 HA SER B 723 -5.146 31.675 35.212 1.00 20.77 H new ATOM 0 HB2 SER B 723 -7.952 32.302 35.244 1.00 27.47 H new ATOM 0 HB3 SER B 723 -7.348 31.221 36.192 1.00 27.47 H new ATOM 0 HG SER B 723 -7.478 33.535 36.898 1.00 27.94 H new ATOM 1726 N PHE B 724 -6.018 29.403 34.392 1.00 20.12 N ATOM 1727 CA PHE B 724 -6.112 28.143 33.630 1.00 20.98 C ATOM 1728 C PHE B 724 -6.542 26.995 34.435 1.00 19.68 C ATOM 1729 O PHE B 724 -6.089 26.800 35.607 1.00 20.64 O ATOM 1730 CB PHE B 724 -4.737 27.744 32.968 1.00 20.09 C ATOM 1731 CG PHE B 724 -4.136 28.767 32.075 1.00 19.37 C ATOM 1732 CD1 PHE B 724 -3.366 29.836 32.585 1.00 20.46 C ATOM 1733 CD2 PHE B 724 -4.397 28.738 30.730 1.00 20.42 C ATOM 1734 CE1 PHE B 724 -2.854 30.861 31.754 1.00 19.49 C ATOM 1735 CE2 PHE B 724 -3.859 29.706 29.869 1.00 17.41 C ATOM 1736 CZ PHE B 724 -3.081 30.743 30.359 1.00 20.54 C ATOM 0 H PHE B 724 -5.776 29.305 35.212 1.00 20.12 H new ATOM 0 HA PHE B 724 -6.783 28.333 32.956 1.00 20.98 H new ATOM 0 HB2 PHE B 724 -4.103 27.541 33.674 1.00 20.09 H new ATOM 0 HB3 PHE B 724 -4.866 26.928 32.459 1.00 20.09 H new ATOM 0 HD1 PHE B 724 -3.190 29.867 33.498 1.00 20.46 H new ATOM 0 HD2 PHE B 724 -4.939 28.067 30.383 1.00 20.42 H new ATOM 0 HE1 PHE B 724 -2.387 31.583 32.109 1.00 19.49 H new ATOM 0 HE2 PHE B 724 -4.027 29.651 28.956 1.00 17.41 H new ATOM 0 HZ PHE B 724 -2.708 31.361 29.773 1.00 20.54 H new ATOM 1737 N HIS B 725 -7.321 26.085 33.867 1.00 22.27 N ATOM 1738 CA HIS B 725 -7.420 24.752 34.378 1.00 19.40 C ATOM 1739 C HIS B 725 -6.060 23.974 34.180 1.00 23.21 C ATOM 1740 O HIS B 725 -5.303 24.181 33.173 1.00 20.86 O ATOM 1741 CB HIS B 725 -8.515 23.936 33.736 1.00 21.70 C ATOM 1742 CG HIS B 725 -9.874 24.450 34.032 1.00 23.40 C ATOM 1743 ND1 HIS B 725 -10.656 25.076 33.111 1.00 24.84 N ATOM 1744 CD2 HIS B 725 -10.479 24.675 35.235 1.00 24.15 C ATOM 1745 CE1 HIS B 725 -11.775 25.499 33.680 1.00 29.07 C ATOM 1746 NE2 HIS B 725 -11.665 25.298 34.976 1.00 25.60 N ATOM 0 H HIS B 725 -7.805 26.235 33.172 1.00 22.27 H new ATOM 0 HA HIS B 725 -7.632 24.858 35.319 1.00 19.40 H new ATOM 0 HB2 HIS B 725 -8.382 23.925 32.775 1.00 21.70 H new ATOM 0 HB3 HIS B 725 -8.449 23.018 34.042 1.00 21.70 H new ATOM 0 HD2 HIS B 725 -10.146 24.447 36.073 1.00 24.15 H new ATOM 0 HE1 HIS B 725 -12.507 25.871 33.242 1.00 29.07 H new ATOM 0 HE2 HIS B 725 -12.248 25.524 35.566 1.00 25.60 H new ATOM 1747 N GLU B 726 -5.808 23.008 35.052 1.00 22.74 N ATOM 1748 CA GLU B 726 -4.565 22.200 35.014 1.00 24.98 C ATOM 1749 C GLU B 726 -4.219 21.634 33.622 1.00 22.58 C ATOM 1750 O GLU B 726 -3.082 21.817 33.160 1.00 23.84 O ATOM 1751 CB GLU B 726 -4.652 21.017 35.989 1.00 28.95 C ATOM 1752 CG GLU B 726 -3.343 20.252 36.109 1.00 30.81 C ATOM 1753 CD GLU B 726 -3.332 19.259 37.291 1.00 40.98 C ATOM 1754 OE1 GLU B 726 -4.265 19.276 38.131 1.00 39.43 O ATOM 1755 OE2 GLU B 726 -2.394 18.439 37.361 1.00 37.34 O ATOM 0 H GLU B 726 -6.345 22.792 35.688 1.00 22.74 H new ATOM 0 HA GLU B 726 -3.863 22.820 35.267 1.00 24.98 H new ATOM 0 HB2 GLU B 726 -4.912 21.344 36.865 1.00 28.95 H new ATOM 0 HB3 GLU B 726 -5.350 20.411 35.694 1.00 28.95 H new ATOM 0 HG2 GLU B 726 -3.180 19.768 35.284 1.00 30.81 H new ATOM 0 HG3 GLU B 726 -2.614 20.883 36.216 1.00 30.81 H new ATOM 1756 N HIS B 727 -5.218 21.054 32.977 1.00 22.47 N ATOM 1757 CA HIS B 727 -5.065 20.385 31.727 1.00 23.79 C ATOM 1758 C HIS B 727 -5.575 21.147 30.534 1.00 22.40 C ATOM 1759 O HIS B 727 -5.506 20.631 29.400 1.00 24.26 O ATOM 1760 CB HIS B 727 -5.670 18.997 31.809 1.00 27.23 C ATOM 1761 CG HIS B 727 -5.052 18.165 32.878 1.00 33.00 C ATOM 1762 ND1 HIS B 727 -3.730 17.761 32.851 1.00 38.04 N ATOM 1763 CD2 HIS B 727 -5.558 17.709 34.051 1.00 38.14 C ATOM 1764 CE1 HIS B 727 -3.459 17.070 33.949 1.00 38.02 C ATOM 1765 NE2 HIS B 727 -4.551 17.031 34.695 1.00 39.96 N ATOM 0 H HIS B 727 -6.025 21.045 33.274 1.00 22.47 H new ATOM 0 HA HIS B 727 -4.110 20.317 31.571 1.00 23.79 H new ATOM 0 HB2 HIS B 727 -6.623 19.073 31.973 1.00 27.23 H new ATOM 0 HB3 HIS B 727 -5.564 18.551 30.954 1.00 27.23 H new ATOM 0 HD2 HIS B 727 -6.426 17.832 34.362 1.00 38.14 H new ATOM 0 HE1 HIS B 727 -2.642 16.680 34.159 1.00 38.02 H new ATOM 0 HE2 HIS B 727 -4.620 16.644 35.460 1.00 39.96 H new ATOM 1766 N CYS B 728 -6.028 22.374 30.765 1.00 19.85 N ATOM 1767 CA CYS B 728 -6.342 23.298 29.688 1.00 20.61 C ATOM 1768 C CYS B 728 -5.054 24.013 29.242 1.00 20.35 C ATOM 1769 O CYS B 728 -4.824 24.195 28.048 1.00 20.64 O ATOM 1770 CB CYS B 728 -7.415 24.338 30.004 1.00 21.68 C ATOM 1771 SG CYS B 728 -9.104 23.700 29.930 1.00 22.38 S ATOM 0 H CYS B 728 -6.161 22.693 31.553 1.00 19.85 H new ATOM 0 HA CYS B 728 -6.718 22.751 28.981 1.00 20.61 H new ATOM 0 HB2 CYS B 728 -7.253 24.696 30.891 1.00 21.68 H new ATOM 0 HB3 CYS B 728 -7.330 25.076 29.380 1.00 21.68 H new ATOM 1772 N HIS B 729 -4.181 24.335 30.183 1.00 18.52 N ATOM 1773 CA HIS B 729 -2.876 24.877 29.838 1.00 17.73 C ATOM 1774 C HIS B 729 -2.071 23.765 29.133 1.00 17.93 C ATOM 1775 O HIS B 729 -2.298 22.580 29.488 1.00 20.02 O ATOM 1776 CB HIS B 729 -2.154 25.348 31.117 1.00 18.50 C ATOM 1777 CG HIS B 729 -0.961 26.244 30.871 1.00 17.72 C ATOM 1778 ND1 HIS B 729 0.319 25.747 30.705 1.00 18.65 N ATOM 1779 CD2 HIS B 729 -0.863 27.556 30.672 1.00 20.55 C ATOM 1780 CE1 HIS B 729 1.162 26.730 30.466 1.00 20.86 C ATOM 1781 NE2 HIS B 729 0.470 27.844 30.477 1.00 21.16 N ATOM 0 H HIS B 729 -4.323 24.248 31.027 1.00 18.52 H new ATOM 0 HA HIS B 729 -2.966 25.641 29.247 1.00 17.73 H new ATOM 0 HB2 HIS B 729 -2.789 25.821 31.677 1.00 18.50 H new ATOM 0 HB3 HIS B 729 -1.861 24.569 31.615 1.00 18.50 H new ATOM 0 HD1 HIS B 729 0.534 24.915 30.751 1.00 18.65 H new ATOM 0 HD2 HIS B 729 -1.565 28.166 30.666 1.00 20.55 H new ATOM 0 HE1 HIS B 729 2.076 26.649 30.317 1.00 20.86 H new ATOM 1782 N ILE B 730 -1.176 24.172 28.250 1.00 18.64 N ATOM 1783 CA ILE B 730 -0.259 23.239 27.569 1.00 18.85 C ATOM 1784 C ILE B 730 1.108 23.823 27.687 1.00 21.59 C ATOM 1785 O ILE B 730 1.283 24.989 27.345 1.00 22.30 O ATOM 1786 CB ILE B 730 -0.639 22.988 26.086 1.00 19.59 C ATOM 1787 CG1 ILE B 730 -2.091 22.639 25.914 1.00 21.56 C ATOM 1788 CG2 ILE B 730 0.254 21.851 25.521 1.00 20.73 C ATOM 1789 CD1 ILE B 730 -2.539 22.391 24.448 1.00 21.90 C ATOM 0 H ILE B 730 -1.074 24.995 28.021 1.00 18.64 H new ATOM 0 HA ILE B 730 -0.310 22.366 27.989 1.00 18.85 H new ATOM 0 HB ILE B 730 -0.490 23.812 25.596 1.00 19.59 H new ATOM 0 HG12 ILE B 730 -2.282 21.843 26.435 1.00 21.56 H new ATOM 0 HG13 ILE B 730 -2.628 23.357 26.285 1.00 21.56 H new ATOM 0 HG21 ILE B 730 0.022 21.688 24.593 1.00 20.73 H new ATOM 0 HG22 ILE B 730 1.186 22.112 25.580 1.00 20.73 H new ATOM 0 HG23 ILE B 730 0.112 21.042 26.036 1.00 20.73 H new ATOM 0 HD11 ILE B 730 -3.484 22.173 24.431 1.00 21.90 H new ATOM 0 HD12 ILE B 730 -2.382 23.191 23.922 1.00 21.90 H new ATOM 0 HD13 ILE B 730 -2.031 21.654 24.074 1.00 21.90 H new ATOM 1790 N PRO B 731 2.079 23.052 28.181 1.00 21.84 N ATOM 1791 CA PRO B 731 1.936 21.790 28.898 1.00 22.08 C ATOM 1792 C PRO B 731 1.105 21.940 30.184 1.00 23.32 C ATOM 1793 O PRO B 731 0.838 23.112 30.600 1.00 24.05 O ATOM 1794 CB PRO B 731 3.382 21.385 29.222 1.00 25.29 C ATOM 1795 CG PRO B 731 4.201 22.586 28.964 1.00 27.19 C ATOM 1796 CD PRO B 731 3.387 23.683 28.364 1.00 23.21 C ATOM 0 HA PRO B 731 1.463 21.127 28.371 1.00 22.08 H new ATOM 0 HB2 PRO B 731 3.465 21.098 30.145 1.00 25.29 H new ATOM 0 HB3 PRO B 731 3.668 20.642 28.668 1.00 25.29 H new ATOM 0 HG2 PRO B 731 4.598 22.893 29.794 1.00 27.19 H new ATOM 0 HG3 PRO B 731 4.931 22.359 28.367 1.00 27.19 H new ATOM 0 HD2 PRO B 731 3.336 24.455 28.949 1.00 23.21 H new ATOM 0 HD3 PRO B 731 3.760 23.989 27.523 1.00 23.21 H new ATOM 1797 N SER B 732 0.606 20.846 30.716 1.00 22.97 N ATOM 1798 CA SER B 732 -0.128 20.912 32.010 1.00 27.94 C ATOM 1799 C SER B 732 0.521 21.760 33.084 1.00 30.83 C ATOM 1800 O SER B 732 1.735 21.826 33.211 1.00 28.14 O ATOM 1801 CB SER B 732 -0.407 19.576 32.555 1.00 29.69 C ATOM 1802 OG SER B 732 -1.130 18.882 31.598 1.00 34.61 O ATOM 0 H SER B 732 0.667 20.061 30.370 1.00 22.97 H new ATOM 0 HA SER B 732 -0.956 21.357 31.771 1.00 27.94 H new ATOM 0 HB2 SER B 732 0.419 19.112 32.762 1.00 29.69 H new ATOM 0 HB3 SER B 732 -0.910 19.642 33.382 1.00 29.69 H new ATOM 0 HG SER B 732 -1.833 18.579 31.943 1.00 34.61 H new ATOM 1803 N VAL B 733 -0.298 22.483 33.833 1.00 27.67 N ATOM 1804 CA VAL B 733 0.260 23.356 34.894 1.00 27.53 C ATOM 1805 C VAL B 733 1.122 22.537 35.829 1.00 28.40 C ATOM 1806 O VAL B 733 0.719 21.459 36.189 1.00 28.33 O ATOM 1807 CB VAL B 733 -0.846 24.053 35.719 1.00 23.39 C ATOM 1808 CG1 VAL B 733 -0.294 24.942 36.829 1.00 24.86 C ATOM 1809 CG2 VAL B 733 -1.718 24.927 34.805 1.00 23.93 C ATOM 0 H VAL B 733 -1.155 22.494 33.759 1.00 27.67 H new ATOM 0 HA VAL B 733 0.787 24.041 34.454 1.00 27.53 H new ATOM 0 HB VAL B 733 -1.364 23.341 36.126 1.00 23.39 H new ATOM 0 HG11 VAL B 733 -1.029 25.352 37.311 1.00 24.86 H new ATOM 0 HG12 VAL B 733 0.235 24.406 37.441 1.00 24.86 H new ATOM 0 HG13 VAL B 733 0.264 25.635 36.442 1.00 24.86 H new ATOM 0 HG21 VAL B 733 -2.408 25.359 35.332 1.00 23.93 H new ATOM 0 HG22 VAL B 733 -1.166 25.602 34.380 1.00 23.93 H new ATOM 0 HG23 VAL B 733 -2.131 24.372 34.125 1.00 23.93 H new ATOM 1810 N GLU B 734 2.316 23.067 36.183 1.00 34.31 N ATOM 1811 CA GLU B 734 3.160 22.500 37.294 1.00 41.20 C ATOM 1812 C GLU B 734 2.538 23.034 38.600 1.00 37.55 C ATOM 1813 O GLU B 734 2.695 24.202 38.977 1.00 38.74 O ATOM 1814 CB GLU B 734 4.622 22.936 37.227 1.00 47.45 C ATOM 1815 CG GLU B 734 5.348 22.498 35.973 1.00 55.06 C ATOM 1816 CD GLU B 734 5.109 23.397 34.787 1.00 69.86 C ATOM 1817 OE1 GLU B 734 4.796 24.594 34.997 1.00 89.56 O ATOM 1818 OE2 GLU B 734 5.231 22.907 33.632 1.00 90.72 O ATOM 0 H GLU B 734 2.662 23.754 35.798 1.00 34.31 H new ATOM 0 HA GLU B 734 3.166 21.532 37.231 1.00 41.20 H new ATOM 0 HB2 GLU B 734 4.663 23.903 37.290 1.00 47.45 H new ATOM 0 HB3 GLU B 734 5.090 22.581 37.999 1.00 47.45 H new ATOM 0 HG2 GLU B 734 6.300 22.464 36.156 1.00 55.06 H new ATOM 0 HG3 GLU B 734 5.070 21.597 35.746 1.00 55.06 H new ATOM 1819 N ALA B 735 1.778 22.172 39.232 1.00 36.87 N ATOM 1820 CA ALA B 735 1.009 22.507 40.434 1.00 42.63 C ATOM 1821 C ALA B 735 1.885 22.853 41.663 1.00 50.48 C ATOM 1822 O ALA B 735 1.511 23.694 42.508 1.00 49.61 O ATOM 1823 CB ALA B 735 0.067 21.343 40.752 1.00 43.59 C ATOM 0 H ALA B 735 1.684 21.355 38.979 1.00 36.87 H new ATOM 0 HA ALA B 735 0.508 23.315 40.243 1.00 42.63 H new ATOM 0 HB1 ALA B 735 -0.449 21.552 41.547 1.00 43.59 H new ATOM 0 HB2 ALA B 735 -0.535 21.200 40.005 1.00 43.59 H new ATOM 0 HB3 ALA B 735 0.587 20.539 40.907 1.00 43.59 H new ATOM 1824 N ASN B 736 3.015 22.150 41.751 1.00 50.34 N ATOM 1825 CA ASN B 736 4.077 22.376 42.737 1.00 58.60 C ATOM 1826 C ASN B 736 4.781 23.756 42.691 1.00 65.25 C ATOM 1827 O ASN B 736 5.343 24.174 43.703 1.00 65.43 O ATOM 1828 CB ASN B 736 5.166 21.323 42.491 1.00 66.74 C ATOM 1829 CG ASN B 736 5.755 21.427 41.072 1.00 68.93 C ATOM 1830 OD1 ASN B 736 5.082 21.114 40.070 1.00 70.43 O ATOM 1831 ND2 ASN B 736 6.979 21.939 40.978 1.00 74.48 N ATOM 0 H ASN B 736 3.192 21.501 41.216 1.00 50.34 H new ATOM 0 HA ASN B 736 3.637 22.326 43.600 1.00 58.60 H new ATOM 0 HB2 ASN B 736 5.875 21.433 43.144 1.00 66.74 H new ATOM 0 HB3 ASN B 736 4.794 20.437 42.622 1.00 66.74 H new ATOM 0 HD21 ASN B 736 7.334 22.065 40.205 1.00 74.48 H new ATOM 0 HD22 ASN B 736 7.415 22.144 41.690 1.00 74.48 H new ATOM 1832 N LYS B 737 4.769 24.434 41.530 1.00 62.24 N ATOM 1833 CA LYS B 737 5.653 25.583 41.247 1.00 63.24 C ATOM 1834 C LYS B 737 5.071 26.911 41.681 1.00 63.49 C ATOM 1835 O LYS B 737 3.879 27.147 41.533 1.00 53.37 O ATOM 1836 CB LYS B 737 6.006 25.669 39.754 1.00 64.92 C ATOM 1837 CG LYS B 737 7.323 25.003 39.383 1.00 68.22 C ATOM 1838 CD LYS B 737 7.901 25.529 38.083 1.00 67.98 C ATOM 1839 CE LYS B 737 8.101 27.029 38.135 1.00 69.49 C ATOM 1840 NZ LYS B 737 9.263 27.441 37.325 1.00 73.65 N ATOM 0 H LYS B 737 4.243 24.238 40.879 1.00 62.24 H new ATOM 0 HA LYS B 737 6.453 25.418 41.771 1.00 63.24 H new ATOM 0 HB2 LYS B 737 5.293 25.260 39.240 1.00 64.92 H new ATOM 0 HB3 LYS B 737 6.043 26.603 39.494 1.00 64.92 H new ATOM 0 HG2 LYS B 737 7.964 25.143 40.097 1.00 68.22 H new ATOM 0 HG3 LYS B 737 7.187 24.046 39.308 1.00 68.22 H new ATOM 0 HD2 LYS B 737 8.749 25.094 37.905 1.00 67.98 H new ATOM 0 HD3 LYS B 737 7.308 25.305 37.349 1.00 67.98 H new ATOM 0 HE2 LYS B 737 7.303 27.476 37.811 1.00 69.49 H new ATOM 0 HE3 LYS B 737 8.229 27.309 39.055 1.00 69.49 H new ATOM 0 HZ1 LYS B 737 9.359 28.325 37.372 1.00 73.65 H new ATOM 0 HZ2 LYS B 737 9.997 27.046 37.636 1.00 73.65 H new ATOM 0 HZ3 LYS B 737 9.134 27.201 36.478 1.00 73.65 H new ATOM 1841 N ASN B 738 5.941 27.789 42.182 1.00 64.64 N ATOM 1842 CA ASN B 738 5.508 29.036 42.795 1.00 68.13 C ATOM 1843 C ASN B 738 6.723 29.954 42.965 1.00 63.57 C ATOM 1844 O ASN B 738 7.526 29.722 43.852 1.00 72.22 O ATOM 1845 CB ASN B 738 4.815 28.752 44.146 1.00 76.31 C ATOM 1846 CG ASN B 738 3.736 29.765 44.468 1.00 82.68 C ATOM 1847 OD1 ASN B 738 3.987 30.969 44.483 1.00 95.29 O ATOM 1848 ND2 ASN B 738 2.526 29.284 44.693 1.00 82.66 N ATOM 0 H ASN B 738 6.793 27.676 42.174 1.00 64.64 H new ATOM 0 HA ASN B 738 4.861 29.481 42.226 1.00 68.13 H new ATOM 0 HB2 ASN B 738 4.425 27.864 44.126 1.00 76.31 H new ATOM 0 HB3 ASN B 738 5.479 28.755 44.853 1.00 76.31 H new ATOM 0 HD21 ASN B 738 1.874 29.820 44.859 1.00 82.66 H new ATOM 0 HD22 ASN B 738 2.390 28.435 44.674 1.00 82.66 H new ATOM 1849 N PRO B 739 6.889 30.979 42.140 1.00 53.99 N ATOM 1850 CA PRO B 739 5.907 31.453 41.186 1.00 48.69 C ATOM 1851 C PRO B 739 5.869 30.571 39.916 1.00 40.32 C ATOM 1852 O PRO B 739 6.856 29.905 39.561 1.00 45.52 O ATOM 1853 CB PRO B 739 6.401 32.876 40.872 1.00 49.89 C ATOM 1854 CG PRO B 739 7.883 32.773 40.965 1.00 51.85 C ATOM 1855 CD PRO B 739 8.153 31.725 42.030 1.00 49.35 C ATOM 0 HA PRO B 739 4.999 31.427 41.528 1.00 48.69 H new ATOM 0 HB2 PRO B 739 6.120 33.163 39.989 1.00 49.89 H new ATOM 0 HB3 PRO B 739 6.050 33.522 41.505 1.00 49.89 H new ATOM 0 HG2 PRO B 739 8.269 32.513 40.114 1.00 51.85 H new ATOM 0 HG3 PRO B 739 8.278 33.626 41.207 1.00 51.85 H new ATOM 0 HD2 PRO B 739 8.886 31.143 41.775 1.00 49.35 H new ATOM 0 HD3 PRO B 739 8.396 32.134 42.875 1.00 49.35 H new ATOM 1856 N TRP B 740 4.691 30.520 39.299 1.00 35.29 N ATOM 1857 CA TRP B 740 4.478 29.832 38.016 1.00 30.79 C ATOM 1858 C TRP B 740 4.113 30.897 36.981 1.00 28.53 C ATOM 1859 O TRP B 740 3.219 31.732 37.248 1.00 31.83 O ATOM 1860 CB TRP B 740 3.344 28.870 38.169 1.00 29.47 C ATOM 1861 CG TRP B 740 2.949 28.190 36.916 1.00 27.27 C ATOM 1862 CD1 TRP B 740 3.606 27.155 36.319 1.00 32.69 C ATOM 1863 CD2 TRP B 740 1.795 28.470 36.116 1.00 25.67 C ATOM 1864 NE1 TRP B 740 2.971 26.813 35.146 1.00 29.07 N ATOM 1865 CE2 TRP B 740 1.845 27.600 35.010 1.00 27.11 C ATOM 1866 CE3 TRP B 740 0.725 29.372 36.230 1.00 26.31 C ATOM 1867 CZ2 TRP B 740 0.856 27.603 34.011 1.00 24.55 C ATOM 1868 CZ3 TRP B 740 -0.263 29.387 35.276 1.00 24.45 C ATOM 1869 CH2 TRP B 740 -0.172 28.501 34.148 1.00 25.03 C ATOM 0 H TRP B 740 3.980 30.888 39.614 1.00 35.29 H new ATOM 0 HA TRP B 740 5.271 29.348 37.739 1.00 30.79 H new ATOM 0 HB2 TRP B 740 3.589 28.199 38.825 1.00 29.47 H new ATOM 0 HB3 TRP B 740 2.576 29.345 38.523 1.00 29.47 H new ATOM 0 HD1 TRP B 740 4.369 26.742 36.654 1.00 32.69 H new ATOM 0 HE1 TRP B 740 3.232 26.210 34.591 1.00 29.07 H new ATOM 0 HE3 TRP B 740 0.685 29.959 36.951 1.00 26.31 H new ATOM 0 HZ2 TRP B 740 0.897 27.020 33.287 1.00 24.55 H new ATOM 0 HZ3 TRP B 740 -0.986 29.966 35.359 1.00 24.45 H new ATOM 0 HH2 TRP B 740 -0.830 28.538 33.491 1.00 25.03 H new ATOM 1870 N SER B 741 4.731 30.848 35.782 1.00 26.27 N ATOM 1871 CA SER B 741 4.324 31.684 34.697 1.00 26.09 C ATOM 1872 C SER B 741 3.717 30.801 33.618 1.00 24.99 C ATOM 1873 O SER B 741 4.273 29.689 33.353 1.00 24.70 O ATOM 1874 CB SER B 741 5.474 32.403 34.068 1.00 28.39 C ATOM 1875 OG SER B 741 5.929 33.460 34.864 1.00 33.00 O ATOM 0 H SER B 741 5.390 30.325 35.601 1.00 26.27 H new ATOM 0 HA SER B 741 3.700 32.337 35.051 1.00 26.09 H new ATOM 0 HB2 SER B 741 6.200 31.778 33.915 1.00 28.39 H new ATOM 0 HB3 SER B 741 5.206 32.744 33.201 1.00 28.39 H new ATOM 0 HG SER B 741 5.453 34.139 34.728 1.00 33.00 H new ATOM 1876 N CYS B 742 2.676 31.330 32.938 1.00 22.94 N ATOM 1877 CA CYS B 742 1.976 30.634 31.872 1.00 21.09 C ATOM 1878 C CYS B 742 2.772 30.692 30.550 1.00 20.23 C ATOM 1879 O CYS B 742 3.732 31.479 30.442 1.00 19.94 O ATOM 1880 CB CYS B 742 0.569 31.240 31.672 1.00 21.23 C ATOM 1881 SG CYS B 742 0.459 32.803 30.788 1.00 21.60 S ATOM 0 H CYS B 742 2.364 32.115 33.097 1.00 22.94 H new ATOM 0 HA CYS B 742 1.887 29.703 32.130 1.00 21.09 H new ATOM 0 HB2 CYS B 742 0.027 30.589 31.199 1.00 21.23 H new ATOM 0 HB3 CYS B 742 0.168 31.361 32.547 1.00 21.23 H new ATOM 1882 N ILE B 743 2.231 29.995 29.528 1.00 19.63 N ATOM 1883 CA ILE B 743 2.850 29.871 28.258 1.00 20.59 C ATOM 1884 C ILE B 743 2.868 31.197 27.502 1.00 21.01 C ATOM 1885 O ILE B 743 3.796 31.490 26.777 1.00 21.65 O ATOM 1886 CB ILE B 743 2.290 28.747 27.427 1.00 19.47 C ATOM 1887 CG1 ILE B 743 3.266 28.483 26.223 1.00 21.62 C ATOM 1888 CG2 ILE B 743 0.849 28.977 27.028 1.00 22.19 C ATOM 1889 CD1 ILE B 743 3.041 27.158 25.602 1.00 24.61 C ATOM 0 H ILE B 743 1.478 29.584 29.586 1.00 19.63 H new ATOM 0 HA ILE B 743 3.773 29.628 28.434 1.00 20.59 H new ATOM 0 HB ILE B 743 2.245 27.936 27.957 1.00 19.47 H new ATOM 0 HG12 ILE B 743 3.148 29.176 25.555 1.00 21.62 H new ATOM 0 HG13 ILE B 743 4.183 28.542 26.533 1.00 21.62 H new ATOM 0 HG21 ILE B 743 0.537 28.228 26.497 1.00 22.19 H new ATOM 0 HG22 ILE B 743 0.301 29.058 27.825 1.00 22.19 H new ATOM 0 HG23 ILE B 743 0.784 29.792 26.507 1.00 22.19 H new ATOM 0 HD11 ILE B 743 3.661 27.036 24.866 1.00 24.61 H new ATOM 0 HD12 ILE B 743 3.183 26.462 26.263 1.00 24.61 H new ATOM 0 HD13 ILE B 743 2.131 27.107 25.269 1.00 24.61 H new ATOM 1890 N PHE B 744 1.808 31.999 27.666 1.00 20.25 N ATOM 1891 CA PHE B 744 1.796 33.342 27.020 1.00 22.15 C ATOM 1892 C PHE B 744 2.979 34.164 27.491 1.00 21.73 C ATOM 1893 O PHE B 744 3.661 34.856 26.666 1.00 23.47 O ATOM 1894 CB PHE B 744 0.484 34.129 27.340 1.00 22.56 C ATOM 1895 CG PHE B 744 -0.772 33.563 26.715 1.00 20.30 C ATOM 1896 CD1 PHE B 744 -1.432 32.462 27.245 1.00 19.50 C ATOM 1897 CD2 PHE B 744 -1.312 34.090 25.586 1.00 19.49 C ATOM 1898 CE1 PHE B 744 -2.566 31.909 26.623 1.00 19.96 C ATOM 1899 CE2 PHE B 744 -2.465 33.593 24.993 1.00 21.36 C ATOM 1900 CZ PHE B 744 -3.105 32.518 25.508 1.00 19.49 C ATOM 0 H PHE B 744 1.108 31.804 28.126 1.00 20.25 H new ATOM 0 HA PHE B 744 1.847 33.196 26.062 1.00 22.15 H new ATOM 0 HB2 PHE B 744 0.366 34.156 28.302 1.00 22.56 H new ATOM 0 HB3 PHE B 744 0.592 35.046 27.042 1.00 22.56 H new ATOM 0 HD1 PHE B 744 -1.116 32.080 28.032 1.00 19.50 H new ATOM 0 HD2 PHE B 744 -0.890 34.818 25.191 1.00 19.49 H new ATOM 0 HE1 PHE B 744 -2.952 31.134 26.963 1.00 19.96 H new ATOM 0 HE2 PHE B 744 -2.802 34.005 24.231 1.00 21.36 H new ATOM 0 HZ PHE B 744 -3.888 32.198 25.121 1.00 19.49 H new ATOM 1901 N CYS B 745 3.215 34.162 28.820 1.00 22.31 N ATOM 1902 CA CYS B 745 4.315 34.931 29.410 1.00 23.15 C ATOM 1903 C CYS B 745 5.683 34.355 28.957 1.00 24.35 C ATOM 1904 O CYS B 745 6.618 35.106 28.634 1.00 25.62 O ATOM 1905 CB CYS B 745 4.247 34.879 30.906 1.00 21.83 C ATOM 1906 SG CYS B 745 2.885 35.892 31.551 1.00 27.04 S ATOM 0 H CYS B 745 2.746 33.720 29.390 1.00 22.31 H new ATOM 0 HA CYS B 745 4.230 35.849 29.110 1.00 23.15 H new ATOM 0 HB2 CYS B 745 4.131 33.960 31.193 1.00 21.83 H new ATOM 0 HB3 CYS B 745 5.087 35.189 31.279 1.00 21.83 H new ATOM 1907 N ARG B 746 5.787 33.015 28.939 1.00 22.38 N ATOM 1908 CA ARG B 746 7.042 32.407 28.498 1.00 21.42 C ATOM 1909 C ARG B 746 7.382 32.615 27.070 1.00 23.21 C ATOM 1910 O ARG B 746 8.562 32.780 26.751 1.00 25.93 O ATOM 1911 CB ARG B 746 7.029 30.901 28.775 1.00 21.61 C ATOM 1912 CG ARG B 746 7.013 30.561 30.260 1.00 24.46 C ATOM 1913 CD ARG B 746 6.647 29.153 30.561 1.00 26.02 C ATOM 1914 NE ARG B 746 7.712 28.216 30.119 1.00 27.16 N ATOM 1915 CZ ARG B 746 7.593 26.886 30.076 1.00 25.75 C ATOM 1916 NH1 ARG B 746 6.505 26.241 30.447 1.00 28.21 N ATOM 1917 NH2 ARG B 746 8.694 26.199 29.678 1.00 27.08 N ATOM 0 H ARG B 746 5.167 32.465 29.169 1.00 22.38 H new ATOM 0 HA ARG B 746 7.725 32.865 29.013 1.00 21.42 H new ATOM 0 HB2 ARG B 746 6.250 30.507 28.351 1.00 21.61 H new ATOM 0 HB3 ARG B 746 7.810 30.497 28.365 1.00 21.61 H new ATOM 0 HG2 ARG B 746 7.890 30.743 30.632 1.00 24.46 H new ATOM 0 HG3 ARG B 746 6.387 31.150 30.709 1.00 24.46 H new ATOM 0 HD2 ARG B 746 6.498 29.051 31.514 1.00 26.02 H new ATOM 0 HD3 ARG B 746 5.813 28.931 30.118 1.00 26.02 H new ATOM 0 HE ARG B 746 8.462 28.556 29.872 1.00 27.16 H new ATOM 0 HH11 ARG B 746 5.823 26.678 30.735 1.00 28.21 H new ATOM 0 HH12 ARG B 746 6.477 25.383 30.401 1.00 28.21 H new ATOM 0 HH21 ARG B 746 9.414 26.622 29.471 1.00 27.08 H new ATOM 0 HH22 ARG B 746 8.672 25.340 29.633 1.00 27.08 H new ATOM 1918 N ILE B 747 6.400 32.591 26.205 1.00 21.36 N ATOM 1919 CA ILE B 747 6.562 32.895 24.799 1.00 23.95 C ATOM 1920 C ILE B 747 6.944 34.396 24.611 1.00 27.33 C ATOM 1921 O ILE B 747 7.806 34.695 23.785 1.00 25.31 O ATOM 1922 CB ILE B 747 5.283 32.579 24.026 1.00 23.30 C ATOM 1923 CG1 ILE B 747 5.096 31.040 23.940 1.00 26.21 C ATOM 1924 CG2 ILE B 747 5.296 33.164 22.622 1.00 26.91 C ATOM 1925 CD1 ILE B 747 5.970 30.337 22.889 1.00 26.81 C ATOM 0 H ILE B 747 5.592 32.391 26.421 1.00 21.36 H new ATOM 0 HA ILE B 747 7.277 32.341 24.449 1.00 23.95 H new ATOM 0 HB ILE B 747 4.545 32.986 24.507 1.00 23.30 H new ATOM 0 HG12 ILE B 747 5.287 30.655 24.810 1.00 26.21 H new ATOM 0 HG13 ILE B 747 4.165 30.851 23.745 1.00 26.21 H new ATOM 0 HG21 ILE B 747 4.468 32.939 22.170 1.00 26.91 H new ATOM 0 HG22 ILE B 747 5.384 34.129 22.674 1.00 26.91 H new ATOM 0 HG23 ILE B 747 6.044 32.798 22.125 1.00 26.91 H new ATOM 0 HD11 ILE B 747 5.790 29.384 22.903 1.00 26.81 H new ATOM 0 HD12 ILE B 747 5.766 30.691 22.009 1.00 26.81 H new ATOM 0 HD13 ILE B 747 6.906 30.492 23.090 1.00 26.81 H new ATOM 1926 N LYS B 748 6.288 35.297 25.343 1.00 24.66 N ATOM 1927 CA LYS B 748 6.632 36.743 25.233 1.00 29.12 C ATOM 1928 C LYS B 748 8.086 36.993 25.668 1.00 31.24 C ATOM 1929 O LYS B 748 8.780 37.803 25.104 1.00 29.41 O ATOM 1930 CB LYS B 748 5.675 37.544 26.095 1.00 32.01 C ATOM 1931 CG LYS B 748 5.953 39.062 26.098 1.00 41.74 C ATOM 1932 CD LYS B 748 4.851 39.812 26.842 1.00 48.38 C ATOM 1933 CE LYS B 748 4.894 39.523 28.336 1.00 56.00 C ATOM 1934 NZ LYS B 748 3.963 40.418 29.087 1.00 69.69 N ATOM 0 H LYS B 748 5.657 35.113 25.897 1.00 24.66 H new ATOM 0 HA LYS B 748 6.548 37.023 24.308 1.00 29.12 H new ATOM 0 HB2 LYS B 748 4.769 37.391 25.784 1.00 32.01 H new ATOM 0 HB3 LYS B 748 5.722 37.214 27.006 1.00 32.01 H new ATOM 0 HG2 LYS B 748 6.810 39.238 26.517 1.00 41.74 H new ATOM 0 HG3 LYS B 748 6.012 39.386 25.186 1.00 41.74 H new ATOM 0 HD2 LYS B 748 4.948 40.765 26.692 1.00 48.38 H new ATOM 0 HD3 LYS B 748 3.986 39.556 26.486 1.00 48.38 H new ATOM 0 HE2 LYS B 748 4.655 38.597 28.496 1.00 56.00 H new ATOM 0 HE3 LYS B 748 5.798 39.644 28.665 1.00 56.00 H new ATOM 0 HZ1 LYS B 748 4.006 40.230 29.956 1.00 69.69 H new ATOM 0 HZ2 LYS B 748 4.196 41.267 28.956 1.00 69.69 H new ATOM 0 HZ3 LYS B 748 3.131 40.291 28.798 1.00 69.69 H new ATOM 1935 N THR B 749 8.519 36.345 26.726 1.00 27.45 N ATOM 1936 CA THR B 749 9.908 36.433 27.178 1.00 28.99 C ATOM 1937 C THR B 749 10.915 36.071 26.052 1.00 32.28 C ATOM 1938 O THR B 749 11.848 36.832 25.750 1.00 33.55 O ATOM 1939 CB THR B 749 10.173 35.595 28.437 1.00 29.77 C ATOM 1940 OG1 THR B 749 9.442 36.143 29.562 1.00 33.19 O ATOM 1941 CG2 THR B 749 11.601 35.695 28.792 1.00 32.65 C ATOM 0 H THR B 749 8.022 35.837 27.211 1.00 27.45 H new ATOM 0 HA THR B 749 10.050 37.363 27.415 1.00 28.99 H new ATOM 0 HB THR B 749 9.905 34.681 28.255 1.00 29.77 H new ATOM 0 HG1 THR B 749 8.652 35.857 29.550 1.00 33.19 H new ATOM 0 HG21 THR B 749 11.775 35.167 29.587 1.00 32.65 H new ATOM 0 HG22 THR B 749 12.141 35.361 28.059 1.00 32.65 H new ATOM 0 HG23 THR B 749 11.828 36.622 28.964 1.00 32.65 H new ATOM 1942 N ILE B 750 10.702 34.949 25.393 1.00 30.60 N ATOM 1943 CA ILE B 750 11.455 34.566 24.240 1.00 30.57 C ATOM 1944 C ILE B 750 11.422 35.622 23.133 1.00 34.08 C ATOM 1945 O ILE B 750 12.473 35.950 22.596 1.00 32.72 O ATOM 1946 CB ILE B 750 10.992 33.178 23.685 1.00 30.51 C ATOM 1947 CG1 ILE B 750 11.291 32.087 24.733 1.00 31.02 C ATOM 1948 CG2 ILE B 750 11.670 32.858 22.373 1.00 29.30 C ATOM 1949 CD1 ILE B 750 10.581 30.808 24.449 1.00 29.93 C ATOM 0 H ILE B 750 10.098 34.379 25.616 1.00 30.60 H new ATOM 0 HA ILE B 750 12.375 34.489 24.536 1.00 30.57 H new ATOM 0 HB ILE B 750 10.037 33.211 23.516 1.00 30.51 H new ATOM 0 HG12 ILE B 750 12.247 31.923 24.760 1.00 31.02 H new ATOM 0 HG13 ILE B 750 11.033 32.408 25.611 1.00 31.02 H new ATOM 0 HG21 ILE B 750 11.365 31.994 22.053 1.00 29.30 H new ATOM 0 HG22 ILE B 750 11.450 33.540 21.720 1.00 29.30 H new ATOM 0 HG23 ILE B 750 12.631 32.833 22.503 1.00 29.30 H new ATOM 0 HD11 ILE B 750 10.801 30.157 25.133 1.00 29.93 H new ATOM 0 HD12 ILE B 750 9.623 30.963 24.446 1.00 29.93 H new ATOM 0 HD13 ILE B 750 10.856 30.471 23.582 1.00 29.93 H new ATOM 1950 N GLN B 751 10.235 36.104 22.790 1.00 29.20 N ATOM 1951 CA GLN B 751 10.064 37.077 21.714 1.00 32.84 C ATOM 1952 C GLN B 751 10.844 38.335 22.026 1.00 31.14 C ATOM 1953 O GLN B 751 11.404 38.936 21.126 1.00 36.15 O ATOM 1954 CB GLN B 751 8.584 37.376 21.451 1.00 34.00 C ATOM 1955 CG GLN B 751 7.868 36.179 20.803 1.00 41.73 C ATOM 1956 CD GLN B 751 6.351 36.380 20.620 1.00 47.53 C ATOM 1957 OE1 GLN B 751 5.707 37.185 21.303 1.00 45.56 O ATOM 1958 NE2 GLN B 751 5.785 35.630 19.682 1.00 49.99 N ATOM 0 H GLN B 751 9.501 35.876 23.175 1.00 29.20 H new ATOM 0 HA GLN B 751 10.417 36.694 20.896 1.00 32.84 H new ATOM 0 HB2 GLN B 751 8.146 37.602 22.286 1.00 34.00 H new ATOM 0 HB3 GLN B 751 8.508 38.151 20.872 1.00 34.00 H new ATOM 0 HG2 GLN B 751 8.269 36.005 19.937 1.00 41.73 H new ATOM 0 HG3 GLN B 751 8.017 35.391 21.348 1.00 41.73 H new ATOM 0 HE21 GLN B 751 6.263 35.080 19.225 1.00 49.99 H new ATOM 0 HE22 GLN B 751 4.941 35.694 19.531 1.00 49.99 H new ATOM 1959 N GLU B 752 10.950 38.699 23.292 1.00 30.99 N ATOM 1960 CA GLU B 752 11.509 40.004 23.700 1.00 34.44 C ATOM 1961 C GLU B 752 13.010 39.988 23.898 1.00 42.36 C ATOM 1962 O GLU B 752 13.591 41.088 24.105 1.00 33.18 O ATOM 1963 CB GLU B 752 10.862 40.511 24.994 1.00 37.79 C ATOM 1964 CG GLU B 752 9.433 40.968 24.731 1.00 41.24 C ATOM 1965 CD GLU B 752 8.652 41.263 25.981 1.00 51.71 C ATOM 1966 OE1 GLU B 752 9.108 40.919 27.122 1.00 58.18 O ATOM 1967 OE2 GLU B 752 7.542 41.817 25.806 1.00 60.33 O ATOM 0 H GLU B 752 10.703 38.204 23.950 1.00 30.99 H new ATOM 0 HA GLU B 752 11.307 40.600 22.961 1.00 34.44 H new ATOM 0 HB2 GLU B 752 10.865 39.807 25.661 1.00 37.79 H new ATOM 0 HB3 GLU B 752 11.381 41.246 25.355 1.00 37.79 H new ATOM 0 HG2 GLU B 752 9.453 41.764 24.177 1.00 41.24 H new ATOM 0 HG3 GLU B 752 8.971 40.282 24.225 1.00 41.24 H new ATOM 1968 N ARG B 753 13.619 38.787 23.858 1.00 33.61 N ATOM 1969 CA ARG B 753 15.032 38.645 24.159 1.00 33.19 C ATOM 1970 C ARG B 753 15.904 39.508 23.219 1.00 36.75 C ATOM 1971 O ARG B 753 16.808 40.279 23.668 1.00 34.21 O ATOM 1972 CB ARG B 753 15.420 37.165 24.056 1.00 31.03 C ATOM 1973 CG ARG B 753 16.858 36.912 24.444 1.00 32.87 C ATOM 1974 CD ARG B 753 17.100 35.421 24.586 1.00 35.64 C ATOM 1975 NE ARG B 753 16.658 34.693 23.362 1.00 35.86 N ATOM 1976 CZ ARG B 753 15.916 33.562 23.348 1.00 35.68 C ATOM 1977 NH1 ARG B 753 15.435 33.003 24.482 1.00 33.15 N ATOM 1978 NH2 ARG B 753 15.609 33.025 22.185 1.00 34.89 N ATOM 0 H ARG B 753 13.221 38.051 23.658 1.00 33.61 H new ATOM 0 HA ARG B 753 15.192 38.961 25.062 1.00 33.19 H new ATOM 0 HB2 ARG B 753 14.837 36.641 24.628 1.00 31.03 H new ATOM 0 HB3 ARG B 753 15.275 36.859 23.147 1.00 31.03 H new ATOM 0 HG2 ARG B 753 17.452 37.282 23.772 1.00 32.87 H new ATOM 0 HG3 ARG B 753 17.060 37.361 25.280 1.00 32.87 H new ATOM 0 HD2 ARG B 753 18.043 35.256 24.743 1.00 35.64 H new ATOM 0 HD3 ARG B 753 16.621 35.084 25.359 1.00 35.64 H new ATOM 0 HE ARG B 753 16.894 35.019 22.602 1.00 35.86 H new ATOM 0 HH11 ARG B 753 15.598 33.367 25.244 1.00 33.15 H new ATOM 0 HH12 ARG B 753 14.966 32.283 24.441 1.00 33.15 H new ATOM 0 HH21 ARG B 753 15.879 33.393 21.456 1.00 34.89 H new ATOM 0 HH22 ARG B 753 15.138 32.306 22.154 1.00 34.89 H new ATOM 1979 N CYS B 754 15.671 39.355 21.909 1.00 36.49 N ATOM 1980 CA CYS B 754 16.489 40.058 20.914 1.00 37.75 C ATOM 1981 C CYS B 754 15.658 40.079 19.645 1.00 46.16 C ATOM 1982 O CYS B 754 15.819 39.207 18.789 1.00 49.80 O ATOM 1983 CB CYS B 754 17.896 39.477 20.679 1.00 35.07 C ATOM 1984 SG CYS B 754 18.929 40.672 19.694 1.00 34.47 S ATOM 0 H CYS B 754 15.053 38.856 21.580 1.00 36.49 H new ATOM 0 HA CYS B 754 16.692 40.948 21.243 1.00 37.75 H new ATOM 0 HB2 CYS B 754 18.324 39.294 21.530 1.00 35.07 H new ATOM 0 HB3 CYS B 754 17.830 38.632 20.208 1.00 35.07 H new ATOM 0 HG CYS B 754 20.022 40.208 19.520 1.00 34.47 H new ATOM 1985 N PRO B 755 14.728 41.059 19.562 1.00 51.17 N ATOM 1986 CA PRO B 755 13.810 41.060 18.440 1.00 59.66 C ATOM 1987 C PRO B 755 14.528 41.191 17.082 1.00 66.91 C ATOM 1988 O PRO B 755 14.959 42.268 16.737 1.00 56.14 O ATOM 1989 CB PRO B 755 12.884 42.261 18.747 1.00 61.72 C ATOM 1990 CG PRO B 755 12.916 42.382 20.239 1.00 62.15 C ATOM 1991 CD PRO B 755 14.331 42.040 20.601 1.00 56.28 C ATOM 0 HA PRO B 755 13.324 40.225 18.351 1.00 59.66 H new ATOM 0 HB2 PRO B 755 13.202 43.071 18.319 1.00 61.72 H new ATOM 0 HB3 PRO B 755 11.983 42.105 18.424 1.00 61.72 H new ATOM 0 HG2 PRO B 755 12.682 43.278 20.528 1.00 62.15 H new ATOM 0 HG3 PRO B 755 12.286 41.775 20.658 1.00 62.15 H new ATOM 0 HD2 PRO B 755 14.902 42.824 20.589 1.00 56.28 H new ATOM 0 HD3 PRO B 755 14.390 41.660 21.492 1.00 56.28 H new ATOM 1992 N GLU B 756 14.750 40.062 16.398 1.00 81.43 N ATOM 1993 CA GLU B 756 14.762 40.024 14.937 1.00 92.55 C ATOM 1994 C GLU B 756 13.262 39.934 14.645 1.00107.65 C ATOM 1995 O GLU B 756 12.622 38.963 15.059 1.00116.30 O ATOM 1996 CB GLU B 756 15.519 38.798 14.398 1.00 83.83 C ATOM 0 H GLU B 756 14.897 39.301 16.770 1.00 81.43 H new ATOM 0 HA GLU B 756 15.212 40.776 14.521 1.00 92.55 H new ATOM 1997 N SER B 757 12.703 40.964 13.991 1.00114.22 N ATOM 1998 CA SER B 757 11.234 41.180 13.892 1.00120.32 C ATOM 1999 C SER B 757 10.473 40.015 13.228 1.00125.63 C ATOM 2000 O SER B 757 11.078 38.984 12.929 1.00139.35 O ATOM 2001 CB SER B 757 10.955 42.487 13.130 1.00118.59 C ATOM 0 H SER B 757 13.165 41.566 13.586 1.00114.22 H new ATOM 0 HA SER B 757 10.903 41.234 14.802 1.00120.32 H new ATOM 2002 N GLN B 758 9.169 40.160 12.962 1.00122.49 N ATOM 2003 CA GLN B 758 8.465 39.188 12.096 1.00113.70 C ATOM 2004 C GLN B 758 8.968 39.324 10.639 1.00115.12 C ATOM 2005 O GLN B 758 8.200 39.130 9.690 1.00110.12 O ATOM 2006 CB GLN B 758 6.941 39.345 12.183 1.00105.49 C ATOM 0 H GLN B 758 8.678 40.799 13.264 1.00122.49 H new ATOM 0 HA GLN B 758 8.668 38.294 12.412 1.00113.70 H new ATOM 2007 N SER B 759 10.289 39.547 10.500 1.00115.07 N ATOM 2008 CA SER B 759 10.959 40.035 9.290 1.00110.42 C ATOM 2009 C SER B 759 11.027 38.944 8.212 1.00106.02 C ATOM 2010 O SER B 759 11.502 39.201 7.096 1.00115.48 O ATOM 2011 CB SER B 759 12.376 40.543 9.630 1.00102.22 C ATOM 0 H SER B 759 10.841 39.409 11.145 1.00115.07 H new ATOM 0 HA SER B 759 10.437 40.772 8.936 1.00110.42 H new ATOM 2012 N GLY B 760 10.594 37.729 8.566 1.00 83.31 N ATOM 2013 CA GLY B 760 10.191 36.730 7.603 1.00 73.13 C ATOM 2014 C GLY B 760 11.086 35.523 7.732 1.00 68.92 C ATOM 2015 O GLY B 760 12.305 35.662 7.669 1.00 66.42 O ATOM 0 H GLY B 760 10.529 37.470 9.383 1.00 83.31 H new ATOM 0 HA2 GLY B 760 9.266 36.477 7.751 1.00 73.13 H new ATOM 0 HA3 GLY B 760 10.246 37.091 6.704 1.00 73.13 H new ATOM 2016 N HIS B 761 10.475 34.359 7.965 1.00 49.78 N ATOM 2017 CA HIS B 761 11.060 33.071 7.642 1.00 47.34 C ATOM 2018 C HIS B 761 10.163 32.349 6.635 1.00 43.08 C ATOM 2019 O HIS B 761 8.987 32.689 6.522 1.00 43.75 O ATOM 2020 CB HIS B 761 11.134 32.254 8.906 1.00 44.00 C ATOM 2021 CG HIS B 761 11.839 32.956 10.011 1.00 46.61 C ATOM 2022 ND1 HIS B 761 11.171 33.736 10.919 1.00 48.27 N ATOM 2023 CD2 HIS B 761 13.149 33.005 10.357 1.00 43.62 C ATOM 2024 CE1 HIS B 761 12.035 34.222 11.794 1.00 47.15 C ATOM 2025 NE2 HIS B 761 13.237 33.783 11.478 1.00 40.84 N ATOM 0 H HIS B 761 9.695 34.302 8.322 1.00 49.78 H new ATOM 0 HA HIS B 761 11.945 33.190 7.263 1.00 47.34 H new ATOM 0 HB2 HIS B 761 10.235 32.030 9.193 1.00 44.00 H new ATOM 0 HB3 HIS B 761 11.589 31.418 8.719 1.00 44.00 H new ATOM 0 HD1 HIS B 761 10.324 33.886 10.919 1.00 48.27 H new ATOM 0 HD2 HIS B 761 13.854 32.589 9.916 1.00 43.62 H new ATOM 0 HE1 HIS B 761 11.830 34.779 12.510 1.00 47.15 H new ATOM 2026 N GLN B 762 10.711 31.400 5.872 1.00 37.52 N ATOM 2027 CA GLN B 762 9.921 30.626 4.958 1.00 40.46 C ATOM 2028 C GLN B 762 9.359 29.418 5.689 1.00 37.98 C ATOM 2029 O GLN B 762 10.046 28.860 6.532 1.00 37.89 O ATOM 2030 CB GLN B 762 10.785 30.119 3.808 1.00 48.36 C ATOM 2031 CG GLN B 762 11.699 31.153 3.185 1.00 57.90 C ATOM 2032 CD GLN B 762 11.062 32.532 3.077 1.00 70.42 C ATOM 2033 OE1 GLN B 762 9.979 32.694 2.485 1.00 70.44 O ATOM 2034 NE2 GLN B 762 11.731 33.542 3.659 1.00 75.50 N ATOM 0 H GLN B 762 11.547 31.199 5.880 1.00 37.52 H new ATOM 0 HA GLN B 762 9.209 31.186 4.611 1.00 40.46 H new ATOM 0 HB2 GLN B 762 11.326 29.381 4.130 1.00 48.36 H new ATOM 0 HB3 GLN B 762 10.204 29.764 3.117 1.00 48.36 H new ATOM 0 HG2 GLN B 762 12.510 31.219 3.713 1.00 57.90 H new ATOM 0 HG3 GLN B 762 11.960 30.854 2.300 1.00 57.90 H new ATOM 0 HE21 GLN B 762 12.477 33.390 4.059 1.00 75.50 H new ATOM 0 HE22 GLN B 762 11.413 34.341 3.632 1.00 75.50 H new ATOM 2035 N GLU B 763 8.179 28.965 5.292 1.00 38.94 N ATOM 2036 CA GLU B 763 7.574 27.788 5.898 1.00 36.29 C ATOM 2037 C GLU B 763 8.472 26.557 5.770 1.00 37.42 C ATOM 2038 O GLU B 763 8.649 25.806 6.759 1.00 30.13 O ATOM 2039 CB GLU B 763 6.172 27.480 5.318 1.00 35.04 C ATOM 2040 CG GLU B 763 5.533 26.157 5.893 1.00 34.50 C ATOM 2041 CD GLU B 763 4.171 25.782 5.369 1.00 31.12 C ATOM 2042 OE1 GLU B 763 3.243 26.573 5.545 1.00 35.61 O ATOM 2043 OE2 GLU B 763 3.937 24.674 4.808 1.00 34.22 O ATOM 0 H GLU B 763 7.709 29.327 4.669 1.00 38.94 H new ATOM 0 HA GLU B 763 7.469 27.998 6.839 1.00 36.29 H new ATOM 0 HB2 GLU B 763 5.581 28.225 5.506 1.00 35.04 H new ATOM 0 HB3 GLU B 763 6.237 27.407 4.353 1.00 35.04 H new ATOM 0 HG2 GLU B 763 6.140 25.423 5.711 1.00 34.50 H new ATOM 0 HG3 GLU B 763 5.474 26.243 6.857 1.00 34.50 H new ATOM 2044 N SER B 764 9.080 26.323 4.600 1.00 33.81 N ATOM 2045 CA ASER B 764 9.948 25.149 4.417 0.71 33.19 C ATOM 2046 CA BSER B 764 9.943 25.145 4.430 0.29 31.94 C ATOM 2047 C SER B 764 11.070 25.068 5.441 1.00 31.54 C ATOM 2048 O SER B 764 11.403 23.991 5.906 1.00 31.86 O ATOM 2049 CB ASER B 764 10.550 25.123 2.966 0.71 38.99 C ATOM 2050 CB BSER B 764 10.504 25.029 2.990 0.29 33.54 C ATOM 2051 OG ASER B 764 11.256 26.328 2.760 0.71 39.27 O ATOM 2052 OG BSER B 764 9.578 24.318 2.217 0.29 30.90 O ATOM 0 H ASER B 764 9.005 26.826 3.906 0.71 33.81 H new ATOM 0 H BSER B 764 9.008 26.824 3.904 0.29 33.81 H new ATOM 0 HA ASER B 764 9.382 24.373 4.551 0.71 31.94 H new ATOM 0 HA BSER B 764 9.361 24.387 4.595 0.29 31.94 H new ATOM 0 HB2ASER B 764 11.142 24.362 2.859 0.71 33.54 H new ATOM 0 HB2BSER B 764 10.654 25.910 2.613 0.29 33.54 H new ATOM 0 HB3ASER B 764 9.843 25.028 2.308 0.71 33.54 H new ATOM 0 HB3BSER B 764 11.360 24.574 2.996 0.29 33.54 H new ATOM 0 HG ASER B 764 11.587 26.331 1.988 0.71 30.90 H new ATOM 0 HG BSER B 764 9.865 24.246 1.431 0.29 30.90 H new ATOM 2053 N GLU B 765 11.623 26.204 5.818 1.00 26.85 N ATOM 2054 CA GLU B 765 12.716 26.282 6.761 1.00 32.03 C ATOM 2055 C GLU B 765 12.181 25.990 8.138 1.00 32.63 C ATOM 2056 O GLU B 765 12.803 25.242 8.908 1.00 29.21 O ATOM 2057 CB GLU B 765 13.335 27.658 6.791 1.00 33.94 C ATOM 2058 CG GLU B 765 14.516 27.906 7.742 1.00 41.38 C ATOM 2059 CD GLU B 765 14.219 28.557 9.128 1.00 48.12 C ATOM 2060 OE1 GLU B 765 13.451 29.540 9.249 1.00 43.78 O ATOM 2061 OE2 GLU B 765 14.788 28.076 10.148 1.00 45.92 O ATOM 0 H GLU B 765 11.366 26.971 5.525 1.00 26.85 H new ATOM 0 HA GLU B 765 13.392 25.642 6.489 1.00 32.03 H new ATOM 0 HB2 GLU B 765 13.630 27.869 5.891 1.00 33.94 H new ATOM 0 HB3 GLU B 765 12.636 28.292 7.016 1.00 33.94 H new ATOM 0 HG2 GLU B 765 14.952 27.055 7.902 1.00 41.38 H new ATOM 0 HG3 GLU B 765 15.156 28.470 7.280 1.00 41.38 H new ATOM 2062 N VAL B 766 11.047 26.623 8.441 1.00 26.12 N ATOM 2063 CA VAL B 766 10.473 26.448 9.793 1.00 25.78 C ATOM 2064 C VAL B 766 10.126 24.989 10.035 1.00 22.50 C ATOM 2065 O VAL B 766 10.402 24.447 11.168 1.00 23.63 O ATOM 2066 CB VAL B 766 9.208 27.380 9.986 1.00 26.10 C ATOM 2067 CG1 VAL B 766 8.402 26.928 11.246 1.00 28.90 C ATOM 2068 CG2 VAL B 766 9.648 28.790 10.130 1.00 27.04 C ATOM 0 H VAL B 766 10.606 27.137 7.911 1.00 26.12 H new ATOM 0 HA VAL B 766 11.137 26.711 10.450 1.00 25.78 H new ATOM 0 HB VAL B 766 8.632 27.308 9.209 1.00 26.10 H new ATOM 0 HG11 VAL B 766 7.629 27.502 11.359 1.00 28.90 H new ATOM 0 HG12 VAL B 766 8.109 26.011 11.131 1.00 28.90 H new ATOM 0 HG13 VAL B 766 8.968 26.990 12.032 1.00 28.90 H new ATOM 0 HG21 VAL B 766 8.873 29.361 10.248 1.00 27.04 H new ATOM 0 HG22 VAL B 766 10.229 28.871 10.903 1.00 27.04 H new ATOM 0 HG23 VAL B 766 10.130 29.062 9.333 1.00 27.04 H new ATOM 2069 N LEU B 767 9.553 24.325 9.053 1.00 23.61 N ATOM 2070 CA LEU B 767 9.173 22.971 9.269 1.00 25.24 C ATOM 2071 C LEU B 767 10.354 22.017 9.573 1.00 25.75 C ATOM 2072 O LEU B 767 10.208 21.012 10.268 1.00 24.86 O ATOM 2073 CB LEU B 767 8.377 22.425 8.122 1.00 25.00 C ATOM 2074 CG LEU B 767 6.984 23.065 7.814 1.00 29.05 C ATOM 2075 CD1 LEU B 767 6.397 22.522 6.529 1.00 32.81 C ATOM 2076 CD2 LEU B 767 6.028 22.772 8.970 1.00 26.30 C ATOM 0 H LEU B 767 9.382 24.641 8.272 1.00 23.61 H new ATOM 0 HA LEU B 767 8.621 23.003 10.066 1.00 25.24 H new ATOM 0 HB2 LEU B 767 8.921 22.501 7.322 1.00 25.00 H new ATOM 0 HB3 LEU B 767 8.239 21.478 8.282 1.00 25.00 H new ATOM 0 HG LEU B 767 7.106 24.022 7.710 1.00 29.05 H new ATOM 0 HD11 LEU B 767 5.536 22.937 6.366 1.00 32.81 H new ATOM 0 HD12 LEU B 767 6.995 22.719 5.791 1.00 32.81 H new ATOM 0 HD13 LEU B 767 6.284 21.562 6.605 1.00 32.81 H new ATOM 0 HD21 LEU B 767 5.162 23.168 8.783 1.00 26.30 H new ATOM 0 HD22 LEU B 767 5.929 21.813 9.073 1.00 26.30 H new ATOM 0 HD23 LEU B 767 6.385 23.150 9.789 1.00 26.30 H new ATOM 2077 N MET B 768 11.524 22.349 9.019 1.00 27.46 N ATOM 2078 CA MET B 768 12.747 21.502 9.272 1.00 27.27 C ATOM 2079 C MET B 768 13.439 21.747 10.640 1.00 28.23 C ATOM 2080 O MET B 768 14.394 21.013 10.969 1.00 27.07 O ATOM 2081 CB MET B 768 13.707 21.705 8.069 1.00 34.03 C ATOM 2082 CG MET B 768 13.177 21.036 6.802 1.00 36.82 C ATOM 2083 SD MET B 768 12.878 19.237 6.960 1.00 55.61 S ATOM 2084 CE MET B 768 14.469 18.712 7.639 1.00 57.85 C ATOM 0 H MET B 768 11.650 23.030 8.510 1.00 27.46 H new ATOM 0 HA MET B 768 12.470 20.575 9.339 1.00 27.27 H new ATOM 0 HB2 MET B 768 13.827 22.654 7.908 1.00 34.03 H new ATOM 0 HB3 MET B 768 14.580 21.341 8.286 1.00 34.03 H new ATOM 0 HG2 MET B 768 12.348 21.469 6.544 1.00 36.82 H new ATOM 0 HG3 MET B 768 13.810 21.185 6.082 1.00 36.82 H new ATOM 0 HE1 MET B 768 14.507 17.743 7.662 1.00 57.85 H new ATOM 0 HE2 MET B 768 15.187 19.051 7.081 1.00 57.85 H new ATOM 0 HE3 MET B 768 14.568 19.060 8.539 1.00 57.85 H new ATOM 2085 N ARG B 769 12.970 22.717 11.431 1.00 23.19 N ATOM 2086 CA ARG B 769 13.549 22.997 12.675 1.00 24.41 C ATOM 2087 C ARG B 769 13.362 21.768 13.590 1.00 22.35 C ATOM 2088 O ARG B 769 12.216 21.226 13.694 1.00 22.38 O ATOM 2089 CB ARG B 769 12.922 24.197 13.314 1.00 26.15 C ATOM 2090 CG ARG B 769 13.339 25.491 12.620 1.00 29.55 C ATOM 2091 CD ARG B 769 12.855 26.675 13.365 1.00 30.81 C ATOM 2092 NE ARG B 769 13.028 27.858 12.527 1.00 37.17 N ATOM 2093 CZ ARG B 769 12.461 29.028 12.772 1.00 44.76 C ATOM 2094 NH1 ARG B 769 11.667 29.173 13.843 1.00 41.39 N ATOM 2095 NH2 ARG B 769 12.676 30.061 11.925 1.00 43.80 N ATOM 0 H ARG B 769 12.300 23.218 11.231 1.00 23.19 H new ATOM 0 HA ARG B 769 14.491 23.189 12.545 1.00 24.41 H new ATOM 0 HB2 ARG B 769 11.956 24.111 13.285 1.00 26.15 H new ATOM 0 HB3 ARG B 769 13.176 24.235 14.249 1.00 26.15 H new ATOM 0 HG2 ARG B 769 14.306 25.525 12.546 1.00 29.55 H new ATOM 0 HG3 ARG B 769 12.985 25.506 11.717 1.00 29.55 H new ATOM 0 HD2 ARG B 769 11.921 26.564 13.602 1.00 30.81 H new ATOM 0 HD3 ARG B 769 13.348 26.775 14.194 1.00 30.81 H new ATOM 0 HE ARG B 769 13.529 27.790 11.831 1.00 37.17 H new ATOM 0 HH11 ARG B 769 11.528 28.507 14.368 1.00 41.39 H new ATOM 0 HH12 ARG B 769 11.297 29.932 14.004 1.00 41.39 H new ATOM 0 HH21 ARG B 769 13.177 29.954 11.235 1.00 43.80 H new ATOM 0 HH22 ARG B 769 12.311 30.825 12.077 1.00 43.80 H new ATOM 2096 N GLN B 770 14.446 21.389 14.297 1.00 24.60 N ATOM 2097 CA GLN B 770 14.327 20.332 15.292 1.00 23.72 C ATOM 2098 C GLN B 770 13.565 20.830 16.513 1.00 22.72 C ATOM 2099 O GLN B 770 13.597 22.027 16.845 1.00 20.40 O ATOM 2100 CB GLN B 770 15.737 19.791 15.659 1.00 24.40 C ATOM 2101 CG GLN B 770 16.330 19.045 14.459 1.00 26.30 C ATOM 2102 CD GLN B 770 17.746 18.538 14.752 1.00 32.11 C ATOM 2103 OE1 GLN B 770 18.140 18.464 15.891 1.00 31.27 O ATOM 2104 NE2 GLN B 770 18.517 18.315 13.731 1.00 37.83 N ATOM 0 H GLN B 770 15.232 21.727 14.212 1.00 24.60 H new ATOM 0 HA GLN B 770 13.816 19.595 14.921 1.00 23.72 H new ATOM 0 HB2 GLN B 770 16.318 20.524 15.915 1.00 24.40 H new ATOM 0 HB3 GLN B 770 15.677 19.197 16.423 1.00 24.40 H new ATOM 0 HG2 GLN B 770 15.759 18.296 14.229 1.00 26.30 H new ATOM 0 HG3 GLN B 770 16.350 19.634 13.689 1.00 26.30 H new ATOM 0 HE21 GLN B 770 18.202 18.377 12.933 1.00 37.83 H new ATOM 0 HE22 GLN B 770 19.342 18.106 13.853 1.00 37.83 H new ATOM 2105 N MET B 771 12.919 19.879 17.187 1.00 20.86 N ATOM 2106 CA MET B 771 12.119 20.163 18.416 1.00 21.56 C ATOM 2107 C MET B 771 12.966 20.317 19.672 1.00 19.53 C ATOM 2108 O MET B 771 12.786 19.687 20.689 1.00 20.22 O ATOM 2109 CB MET B 771 10.985 19.200 18.516 1.00 21.41 C ATOM 2110 CG MET B 771 10.063 19.277 17.355 1.00 20.51 C ATOM 2111 SD MET B 771 8.836 20.645 17.627 1.00 23.20 S ATOM 2112 CE MET B 771 7.623 19.812 18.610 1.00 23.26 C ATOM 0 H MET B 771 12.923 19.050 16.958 1.00 20.86 H new ATOM 0 HA MET B 771 11.722 21.044 18.333 1.00 21.56 H new ATOM 0 HB2 MET B 771 11.336 18.299 18.586 1.00 21.41 H new ATOM 0 HB3 MET B 771 10.488 19.375 19.331 1.00 21.41 H new ATOM 0 HG2 MET B 771 10.565 19.437 16.541 1.00 20.51 H new ATOM 0 HG3 MET B 771 9.600 18.432 17.241 1.00 20.51 H new ATOM 0 HE1 MET B 771 6.930 20.439 18.869 1.00 23.26 H new ATOM 0 HE2 MET B 771 7.229 19.090 18.095 1.00 23.26 H new ATOM 0 HE3 MET B 771 8.044 19.450 19.405 1.00 23.26 H new ATOM 2113 N LEU B 772 13.888 21.299 19.597 1.00 19.94 N ATOM 2114 CA LEU B 772 14.569 21.839 20.749 1.00 21.00 C ATOM 2115 C LEU B 772 13.527 22.495 21.737 1.00 20.28 C ATOM 2116 O LEU B 772 12.359 22.768 21.331 1.00 20.56 O ATOM 2117 CB LEU B 772 15.612 22.920 20.265 1.00 23.88 C ATOM 2118 CG LEU B 772 16.752 22.266 19.441 1.00 29.42 C ATOM 2119 CD1 LEU B 772 17.594 23.376 18.852 1.00 27.84 C ATOM 2120 CD2 LEU B 772 17.539 21.321 20.325 1.00 28.57 C ATOM 0 H LEU B 772 14.126 21.663 18.855 1.00 19.94 H new ATOM 0 HA LEU B 772 15.031 21.127 21.219 1.00 21.00 H new ATOM 0 HB2 LEU B 772 15.162 23.589 19.726 1.00 23.88 H new ATOM 0 HB3 LEU B 772 15.986 23.379 21.033 1.00 23.88 H new ATOM 0 HG LEU B 772 16.408 21.730 18.709 1.00 29.42 H new ATOM 0 HD11 LEU B 772 18.316 22.993 18.330 1.00 27.84 H new ATOM 0 HD12 LEU B 772 17.042 23.932 18.280 1.00 27.84 H new ATOM 0 HD13 LEU B 772 17.964 23.916 19.568 1.00 27.84 H new ATOM 0 HD21 LEU B 772 18.252 20.913 19.809 1.00 28.57 H new ATOM 0 HD22 LEU B 772 17.920 21.815 21.068 1.00 28.57 H new ATOM 0 HD23 LEU B 772 16.950 20.630 20.665 1.00 28.57 H new ATOM 2121 N PRO B 773 13.935 22.752 22.972 1.00 20.06 N ATOM 2122 CA PRO B 773 12.969 23.266 23.970 1.00 20.52 C ATOM 2123 C PRO B 773 12.144 24.470 23.550 1.00 21.27 C ATOM 2124 O PRO B 773 10.929 24.431 23.754 1.00 20.97 O ATOM 2125 CB PRO B 773 13.842 23.514 25.187 1.00 20.52 C ATOM 2126 CG PRO B 773 14.876 22.433 25.051 1.00 21.11 C ATOM 2127 CD PRO B 773 15.201 22.351 23.652 1.00 19.64 C ATOM 0 HA PRO B 773 12.254 22.629 24.126 1.00 20.52 H new ATOM 0 HB2 PRO B 773 14.238 24.399 25.176 1.00 20.52 H new ATOM 0 HB3 PRO B 773 13.342 23.437 26.015 1.00 20.52 H new ATOM 0 HG2 PRO B 773 15.664 22.641 25.577 1.00 21.11 H new ATOM 0 HG3 PRO B 773 14.534 21.585 25.376 1.00 21.11 H new ATOM 0 HD2 PRO B 773 15.933 22.944 23.421 1.00 19.64 H new ATOM 0 HD3 PRO B 773 15.472 21.454 23.401 1.00 19.64 H new ATOM 2128 N GLU B 774 12.751 25.470 22.918 1.00 21.37 N ATOM 2129 CA GLU B 774 11.936 26.666 22.472 1.00 23.36 C ATOM 2130 C GLU B 774 10.974 26.309 21.345 1.00 22.31 C ATOM 2131 O GLU B 774 9.831 26.836 21.299 1.00 21.82 O ATOM 2132 CB GLU B 774 12.785 27.911 22.192 1.00 21.90 C ATOM 2133 CG GLU B 774 13.437 28.476 23.454 1.00 25.23 C ATOM 2134 CD GLU B 774 14.200 29.804 23.227 1.00 30.14 C ATOM 2135 OE1 GLU B 774 14.345 30.299 22.037 1.00 30.82 O ATOM 2136 OE2 GLU B 774 14.673 30.308 24.271 1.00 30.85 O ATOM 0 H GLU B 774 13.590 25.503 22.733 1.00 21.37 H new ATOM 0 HA GLU B 774 11.382 26.920 23.226 1.00 23.36 H new ATOM 0 HB2 GLU B 774 13.475 27.689 21.547 1.00 21.90 H new ATOM 0 HB3 GLU B 774 12.228 28.594 21.787 1.00 21.90 H new ATOM 0 HG2 GLU B 774 12.751 28.618 24.125 1.00 25.23 H new ATOM 0 HG3 GLU B 774 14.052 27.817 23.812 1.00 25.23 H new ATOM 2137 N GLU B 775 11.317 25.419 20.420 1.00 20.12 N ATOM 2138 CA GLU B 775 10.436 25.032 19.355 1.00 22.54 C ATOM 2139 C GLU B 775 9.280 24.130 19.891 1.00 20.03 C ATOM 2140 O GLU B 775 8.169 24.235 19.412 1.00 20.45 O ATOM 2141 CB GLU B 775 11.184 24.301 18.220 1.00 24.68 C ATOM 2142 CG GLU B 775 12.324 25.055 17.526 1.00 33.02 C ATOM 2143 CD GLU B 775 12.099 26.527 17.214 1.00 43.15 C ATOM 2144 OE1 GLU B 775 11.084 26.906 16.600 1.00 49.22 O ATOM 2145 OE2 GLU B 775 12.994 27.330 17.518 1.00 49.84 O ATOM 0 H GLU B 775 12.081 25.024 20.402 1.00 20.12 H new ATOM 0 HA GLU B 775 10.062 25.849 18.989 1.00 22.54 H new ATOM 0 HB2 GLU B 775 11.546 23.477 18.582 1.00 24.68 H new ATOM 0 HB3 GLU B 775 10.534 24.052 17.544 1.00 24.68 H new ATOM 0 HG2 GLU B 775 13.114 24.984 18.084 1.00 33.02 H new ATOM 0 HG3 GLU B 775 12.523 24.599 16.693 1.00 33.02 H new ATOM 2146 N GLN B 776 9.601 23.266 20.866 1.00 18.99 N ATOM 2147 CA GLN B 776 8.609 22.420 21.534 1.00 19.53 C ATOM 2148 C GLN B 776 7.567 23.372 22.185 1.00 18.55 C ATOM 2149 O GLN B 776 6.356 23.134 22.050 1.00 18.54 O ATOM 2150 CB GLN B 776 9.325 21.523 22.546 1.00 21.16 C ATOM 2151 CG GLN B 776 8.463 20.732 23.462 1.00 21.21 C ATOM 2152 CD GLN B 776 7.861 19.514 22.858 1.00 21.36 C ATOM 2153 OE1 GLN B 776 8.447 18.886 21.932 1.00 21.02 O ATOM 2154 NE2 GLN B 776 6.696 19.142 23.350 1.00 22.07 N ATOM 0 H GLN B 776 10.403 23.157 21.156 1.00 18.99 H new ATOM 0 HA GLN B 776 8.144 21.828 20.922 1.00 19.53 H new ATOM 0 HB2 GLN B 776 9.893 20.907 22.057 1.00 21.16 H new ATOM 0 HB3 GLN B 776 9.909 22.080 23.085 1.00 21.16 H new ATOM 0 HG2 GLN B 776 8.989 20.469 24.233 1.00 21.21 H new ATOM 0 HG3 GLN B 776 7.749 21.303 23.787 1.00 21.21 H new ATOM 0 HE21 GLN B 776 6.330 19.598 23.981 1.00 22.07 H new ATOM 0 HE22 GLN B 776 6.302 18.443 23.040 1.00 22.07 H new ATOM 2155 N LEU B 777 8.069 24.382 22.910 1.00 18.77 N ATOM 2156 CA LEU B 777 7.158 25.333 23.575 1.00 20.13 C ATOM 2157 C LEU B 777 6.316 26.044 22.511 1.00 20.18 C ATOM 2158 O LEU B 777 5.100 26.278 22.736 1.00 21.02 O ATOM 2159 CB LEU B 777 7.945 26.314 24.412 1.00 20.37 C ATOM 2160 CG LEU B 777 7.096 27.192 25.304 1.00 23.31 C ATOM 2161 CD1 LEU B 777 6.509 26.310 26.397 1.00 23.29 C ATOM 2162 CD2 LEU B 777 7.913 28.328 25.976 1.00 23.99 C ATOM 0 H LEU B 777 8.907 24.533 23.028 1.00 18.77 H new ATOM 0 HA LEU B 777 6.561 24.858 24.174 1.00 20.13 H new ATOM 0 HB2 LEU B 777 8.573 25.822 24.964 1.00 20.37 H new ATOM 0 HB3 LEU B 777 8.468 26.879 23.822 1.00 20.37 H new ATOM 0 HG LEU B 777 6.412 27.609 24.757 1.00 23.31 H new ATOM 0 HD11 LEU B 777 5.958 26.848 26.986 1.00 23.29 H new ATOM 0 HD12 LEU B 777 5.967 25.613 25.995 1.00 23.29 H new ATOM 0 HD13 LEU B 777 7.228 25.905 26.907 1.00 23.29 H new ATOM 0 HD21 LEU B 777 7.327 28.861 26.535 1.00 23.99 H new ATOM 0 HD22 LEU B 777 8.616 27.942 26.521 1.00 23.99 H new ATOM 0 HD23 LEU B 777 8.307 28.892 25.292 1.00 23.99 H new ATOM 2163 N LYS B 778 6.911 26.508 21.417 1.00 18.73 N ATOM 2164 CA LYS B 778 6.103 27.208 20.370 1.00 20.40 C ATOM 2165 C LYS B 778 5.007 26.355 19.794 1.00 17.91 C ATOM 2166 O LYS B 778 3.840 26.783 19.548 1.00 18.92 O ATOM 2167 CB LYS B 778 7.015 27.781 19.327 1.00 21.53 C ATOM 2168 CG LYS B 778 7.756 28.968 19.801 1.00 23.71 C ATOM 2169 CD LYS B 778 8.853 29.347 18.793 1.00 30.21 C ATOM 2170 CE LYS B 778 9.516 30.640 19.170 1.00 39.98 C ATOM 2171 NZ LYS B 778 10.597 30.942 18.171 1.00 44.76 N ATOM 0 H LYS B 778 7.752 26.441 21.248 1.00 18.73 H new ATOM 0 HA LYS B 778 5.632 27.941 20.796 1.00 20.40 H new ATOM 0 HB2 LYS B 778 7.648 27.101 19.048 1.00 21.53 H new ATOM 0 HB3 LYS B 778 6.494 28.022 18.545 1.00 21.53 H new ATOM 0 HG2 LYS B 778 7.146 29.712 19.920 1.00 23.71 H new ATOM 0 HG3 LYS B 778 8.153 28.785 20.667 1.00 23.71 H new ATOM 0 HD2 LYS B 778 9.516 28.640 18.753 1.00 30.21 H new ATOM 0 HD3 LYS B 778 8.468 29.425 17.906 1.00 30.21 H new ATOM 0 HE2 LYS B 778 8.865 31.359 19.187 1.00 39.98 H new ATOM 0 HE3 LYS B 778 9.892 30.577 20.062 1.00 39.98 H new ATOM 0 HZ1 LYS B 778 10.996 31.708 18.387 1.00 44.76 H new ATOM 0 HZ2 LYS B 778 11.197 30.284 18.174 1.00 44.76 H new ATOM 0 HZ3 LYS B 778 10.240 31.013 17.359 1.00 44.76 H new ATOM 2172 N CYS B 779 5.242 25.048 19.588 1.00 16.71 N ATOM 2173 CA CYS B 779 4.235 24.194 19.153 1.00 17.92 C ATOM 2174 C CYS B 779 3.126 23.934 20.207 1.00 16.65 C ATOM 2175 O CYS B 779 1.949 23.847 19.844 1.00 18.88 O ATOM 2176 CB CYS B 779 4.834 22.832 18.724 1.00 19.72 C ATOM 2177 SG CYS B 779 5.789 22.897 17.178 1.00 21.57 S ATOM 0 H CYS B 779 6.005 24.670 19.708 1.00 16.71 H new ATOM 0 HA CYS B 779 3.819 24.648 18.403 1.00 17.92 H new ATOM 0 HB2 CYS B 779 5.408 22.504 19.434 1.00 19.72 H new ATOM 0 HB3 CYS B 779 4.114 22.190 18.622 1.00 19.72 H new ATOM 0 HG CYS B 779 5.109 22.506 16.270 1.00 21.57 H new ATOM 2178 N GLU B 780 3.541 23.805 21.505 1.00 15.97 N ATOM 2179 CA GLU B 780 2.583 23.725 22.587 1.00 16.13 C ATOM 2180 C GLU B 780 1.628 24.976 22.583 1.00 16.60 C ATOM 2181 O GLU B 780 0.390 24.819 22.741 1.00 17.77 O ATOM 2182 CB GLU B 780 3.245 23.582 23.924 1.00 16.89 C ATOM 2183 CG GLU B 780 3.835 22.198 24.064 1.00 19.42 C ATOM 2184 CD GLU B 780 4.955 22.062 25.079 1.00 19.47 C ATOM 2185 OE1 GLU B 780 5.466 23.097 25.601 1.00 21.54 O ATOM 2186 OE2 GLU B 780 5.374 20.854 25.413 1.00 23.51 O ATOM 0 H GLU B 780 4.365 23.765 21.749 1.00 15.97 H new ATOM 0 HA GLU B 780 2.056 22.925 22.436 1.00 16.13 H new ATOM 0 HB2 GLU B 780 3.942 24.250 24.021 1.00 16.89 H new ATOM 0 HB3 GLU B 780 2.600 23.740 24.631 1.00 16.89 H new ATOM 0 HG2 GLU B 780 3.124 21.584 24.306 1.00 19.42 H new ATOM 0 HG3 GLU B 780 4.169 21.917 23.198 1.00 19.42 H new ATOM 2187 N PHE B 781 2.231 26.137 22.358 1.00 16.91 N ATOM 2188 CA PHE B 781 1.445 27.400 22.361 1.00 18.06 C ATOM 2189 C PHE B 781 0.504 27.421 21.176 1.00 18.37 C ATOM 2190 O PHE B 781 -0.684 27.786 21.315 1.00 17.60 O ATOM 2191 CB PHE B 781 2.383 28.564 22.353 1.00 19.69 C ATOM 2192 CG PHE B 781 1.723 29.889 22.473 1.00 19.93 C ATOM 2193 CD1 PHE B 781 0.858 30.086 23.543 1.00 19.68 C ATOM 2194 CD2 PHE B 781 2.052 30.930 21.589 1.00 22.68 C ATOM 2195 CE1 PHE B 781 0.282 31.388 23.725 1.00 22.40 C ATOM 2196 CE2 PHE B 781 1.469 32.180 21.754 1.00 25.30 C ATOM 2197 CZ PHE B 781 0.593 32.389 22.843 1.00 24.25 C ATOM 0 H PHE B 781 3.072 26.231 22.204 1.00 16.91 H new ATOM 0 HA PHE B 781 0.903 27.457 23.163 1.00 18.06 H new ATOM 0 HB2 PHE B 781 3.013 28.462 23.084 1.00 19.69 H new ATOM 0 HB3 PHE B 781 2.897 28.545 21.531 1.00 19.69 H new ATOM 0 HD1 PHE B 781 0.657 29.391 24.127 1.00 19.68 H new ATOM 0 HD2 PHE B 781 2.656 30.783 20.898 1.00 22.68 H new ATOM 0 HE1 PHE B 781 -0.297 31.550 24.435 1.00 22.40 H new ATOM 0 HE2 PHE B 781 1.652 32.869 21.157 1.00 25.30 H new ATOM 0 HZ PHE B 781 0.217 33.231 22.964 1.00 24.25 H new ATOM 2198 N LEU B 782 0.987 27.003 20.010 1.00 18.76 N ATOM 2199 CA LEU B 782 0.152 26.917 18.838 1.00 19.24 C ATOM 2200 C LEU B 782 -1.044 25.997 19.043 1.00 18.85 C ATOM 2201 O LEU B 782 -2.214 26.293 18.650 1.00 19.53 O ATOM 2202 CB LEU B 782 1.021 26.441 17.647 1.00 19.18 C ATOM 2203 CG LEU B 782 0.367 26.309 16.333 1.00 20.32 C ATOM 2204 CD1 LEU B 782 -0.576 27.464 15.926 1.00 24.71 C ATOM 2205 CD2 LEU B 782 1.438 26.165 15.272 1.00 21.93 C ATOM 0 H LEU B 782 1.804 26.765 19.885 1.00 18.76 H new ATOM 0 HA LEU B 782 -0.214 27.796 18.653 1.00 19.24 H new ATOM 0 HB2 LEU B 782 1.761 27.060 17.551 1.00 19.18 H new ATOM 0 HB3 LEU B 782 1.400 25.579 17.880 1.00 19.18 H new ATOM 0 HG LEU B 782 -0.203 25.528 16.409 1.00 20.32 H new ATOM 0 HD11 LEU B 782 -0.953 27.281 15.051 1.00 24.71 H new ATOM 0 HD12 LEU B 782 -1.292 27.542 16.576 1.00 24.71 H new ATOM 0 HD13 LEU B 782 -0.076 28.295 15.895 1.00 24.71 H new ATOM 0 HD21 LEU B 782 1.021 26.077 14.401 1.00 21.93 H new ATOM 0 HD22 LEU B 782 2.008 26.949 15.279 1.00 21.93 H new ATOM 0 HD23 LEU B 782 1.972 25.376 15.456 1.00 21.93 H new ATOM 2206 N LEU B 783 -0.800 24.826 19.639 1.00 18.25 N ATOM 2207 CA LEU B 783 -1.857 23.900 19.889 1.00 16.00 C ATOM 2208 C LEU B 783 -2.893 24.536 20.865 1.00 16.63 C ATOM 2209 O LEU B 783 -4.102 24.399 20.686 1.00 16.35 O ATOM 2210 CB LEU B 783 -1.312 22.537 20.502 1.00 16.46 C ATOM 2211 CG LEU B 783 -2.345 21.475 20.796 1.00 17.40 C ATOM 2212 CD1 LEU B 783 -3.211 21.022 19.609 1.00 16.78 C ATOM 2213 CD2 LEU B 783 -1.625 20.226 21.356 1.00 18.05 C ATOM 0 H LEU B 783 -0.023 24.566 19.899 1.00 18.25 H new ATOM 0 HA LEU B 783 -2.282 23.697 19.041 1.00 16.00 H new ATOM 0 HB2 LEU B 783 -0.660 22.166 19.887 1.00 16.46 H new ATOM 0 HB3 LEU B 783 -0.841 22.740 21.325 1.00 16.46 H new ATOM 0 HG LEU B 783 -2.955 21.890 21.425 1.00 17.40 H new ATOM 0 HD11 LEU B 783 -3.837 20.343 19.905 1.00 16.78 H new ATOM 0 HD12 LEU B 783 -3.701 21.781 19.258 1.00 16.78 H new ATOM 0 HD13 LEU B 783 -2.642 20.656 18.914 1.00 16.78 H new ATOM 0 HD21 LEU B 783 -2.278 19.535 21.549 1.00 18.05 H new ATOM 0 HD22 LEU B 783 -0.991 19.896 20.700 1.00 18.05 H new ATOM 0 HD23 LEU B 783 -1.154 20.462 22.170 1.00 18.05 H new ATOM 2214 N LEU B 784 -2.344 25.188 21.883 1.00 18.09 N ATOM 2215 CA LEU B 784 -3.226 25.896 22.891 1.00 18.15 C ATOM 2216 C LEU B 784 -4.122 26.934 22.230 1.00 18.83 C ATOM 2217 O LEU B 784 -5.319 27.016 22.552 1.00 17.87 O ATOM 2218 CB LEU B 784 -2.460 26.433 24.057 1.00 18.87 C ATOM 2219 CG LEU B 784 -3.275 27.274 25.078 1.00 20.49 C ATOM 2220 CD1 LEU B 784 -2.746 26.948 26.460 1.00 20.85 C ATOM 2221 CD2 LEU B 784 -3.230 28.742 24.795 1.00 22.37 C ATOM 0 H LEU B 784 -1.499 25.248 22.029 1.00 18.09 H new ATOM 0 HA LEU B 784 -3.818 25.225 23.265 1.00 18.15 H new ATOM 0 HB2 LEU B 784 -2.057 25.687 24.528 1.00 18.87 H new ATOM 0 HB3 LEU B 784 -1.734 26.981 23.720 1.00 18.87 H new ATOM 0 HG LEU B 784 -4.214 27.040 25.010 1.00 20.49 H new ATOM 0 HD11 LEU B 784 -3.236 27.459 27.123 1.00 20.85 H new ATOM 0 HD12 LEU B 784 -2.859 26.000 26.635 1.00 20.85 H new ATOM 0 HD13 LEU B 784 -1.804 27.176 26.508 1.00 20.85 H new ATOM 0 HD21 LEU B 784 -3.753 29.216 25.460 1.00 22.37 H new ATOM 0 HD22 LEU B 784 -2.311 29.050 24.827 1.00 22.37 H new ATOM 0 HD23 LEU B 784 -3.597 28.913 23.914 1.00 22.37 H new ATOM 2222 N LYS B 785 -3.577 27.672 21.291 1.00 17.89 N ATOM 2223 CA LYS B 785 -4.376 28.685 20.519 1.00 18.93 C ATOM 2224 C LYS B 785 -5.490 28.057 19.781 1.00 19.11 C ATOM 2225 O LYS B 785 -6.594 28.650 19.712 1.00 21.00 O ATOM 2226 CB LYS B 785 -3.499 29.534 19.614 1.00 20.26 C ATOM 2227 CG LYS B 785 -2.570 30.466 20.322 1.00 22.13 C ATOM 2228 CD LYS B 785 -3.127 31.513 21.287 1.00 29.98 C ATOM 2229 CE LYS B 785 -4.085 32.453 20.665 1.00 37.25 C ATOM 2230 NZ LYS B 785 -3.469 33.490 19.804 1.00 45.67 N ATOM 0 H LYS B 785 -2.749 27.624 21.063 1.00 17.89 H new ATOM 0 HA LYS B 785 -4.771 29.288 21.168 1.00 18.93 H new ATOM 0 HB2 LYS B 785 -2.975 28.944 19.049 1.00 20.26 H new ATOM 0 HB3 LYS B 785 -4.071 30.054 19.028 1.00 20.26 H new ATOM 0 HG2 LYS B 785 -1.939 29.922 20.819 1.00 22.13 H new ATOM 0 HG3 LYS B 785 -2.064 30.939 19.643 1.00 22.13 H new ATOM 0 HD2 LYS B 785 -3.565 31.060 22.024 1.00 29.98 H new ATOM 0 HD3 LYS B 785 -2.389 32.018 21.663 1.00 29.98 H new ATOM 0 HE2 LYS B 785 -4.719 31.945 20.135 1.00 37.25 H new ATOM 0 HE3 LYS B 785 -4.590 32.892 21.367 1.00 37.25 H new ATOM 0 HZ1 LYS B 785 -4.062 34.135 19.645 1.00 45.67 H new ATOM 0 HZ2 LYS B 785 -2.759 33.835 20.216 1.00 45.67 H new ATOM 0 HZ3 LYS B 785 -3.216 33.124 19.033 1.00 45.67 H new ATOM 2231 N VAL B 786 -5.326 26.872 19.186 1.00 18.45 N ATOM 2232 CA VAL B 786 -6.412 26.162 18.603 1.00 17.46 C ATOM 2233 C VAL B 786 -7.522 25.772 19.611 1.00 18.75 C ATOM 2234 O VAL B 786 -8.736 25.926 19.390 1.00 18.60 O ATOM 2235 CB VAL B 786 -5.928 24.943 17.754 1.00 19.01 C ATOM 2236 CG1 VAL B 786 -7.070 24.166 17.167 1.00 19.44 C ATOM 2237 CG2 VAL B 786 -5.019 25.433 16.617 1.00 21.07 C ATOM 0 H VAL B 786 -4.567 26.472 19.120 1.00 18.45 H new ATOM 0 HA VAL B 786 -6.832 26.789 17.994 1.00 17.46 H new ATOM 0 HB VAL B 786 -5.442 24.353 18.351 1.00 19.01 H new ATOM 0 HG11 VAL B 786 -6.724 23.422 16.650 1.00 19.44 H new ATOM 0 HG12 VAL B 786 -7.633 23.829 17.881 1.00 19.44 H new ATOM 0 HG13 VAL B 786 -7.592 24.745 16.590 1.00 19.44 H new ATOM 0 HG21 VAL B 786 -4.720 24.674 16.092 1.00 21.07 H new ATOM 0 HG22 VAL B 786 -5.513 26.045 16.049 1.00 21.07 H new ATOM 0 HG23 VAL B 786 -4.250 25.890 16.992 1.00 21.07 H new ATOM 2238 N TYR B 787 -7.114 25.165 20.747 1.00 16.57 N ATOM 2239 CA TYR B 787 -8.086 24.837 21.798 1.00 16.52 C ATOM 2240 C TYR B 787 -8.851 26.076 22.327 1.00 17.91 C ATOM 2241 O TYR B 787 -10.006 25.868 22.822 1.00 20.88 O ATOM 2242 CB TYR B 787 -7.353 24.052 22.928 1.00 17.11 C ATOM 2243 CG TYR B 787 -7.145 22.588 22.761 1.00 17.68 C ATOM 2244 CD1 TYR B 787 -8.104 21.674 23.005 1.00 18.48 C ATOM 2245 CD2 TYR B 787 -5.902 22.073 22.411 1.00 17.71 C ATOM 2246 CE1 TYR B 787 -7.886 20.280 22.936 1.00 19.18 C ATOM 2247 CE2 TYR B 787 -5.687 20.725 22.352 1.00 18.88 C ATOM 2248 CZ TYR B 787 -6.618 19.832 22.596 1.00 19.63 C ATOM 2249 OH TYR B 787 -6.349 18.494 22.588 1.00 19.29 O ATOM 0 H TYR B 787 -6.301 24.943 20.919 1.00 16.57 H new ATOM 0 HA TYR B 787 -8.778 24.274 21.418 1.00 16.52 H new ATOM 0 HB2 TYR B 787 -6.482 24.461 23.053 1.00 17.11 H new ATOM 0 HB3 TYR B 787 -7.850 24.187 23.750 1.00 17.11 H new ATOM 0 HD1 TYR B 787 -8.954 21.977 23.231 1.00 18.48 H new ATOM 0 HD2 TYR B 787 -5.205 22.656 22.214 1.00 17.71 H new ATOM 0 HE1 TYR B 787 -8.573 19.679 23.114 1.00 19.18 H new ATOM 0 HE2 TYR B 787 -4.836 20.424 22.127 1.00 18.88 H new ATOM 0 HH TYR B 787 -7.052 18.066 22.755 1.00 19.29 H new ATOM 2250 N CYS B 788 -8.232 27.265 22.276 1.00 15.89 N ATOM 2251 CA CYS B 788 -8.910 28.512 22.769 1.00 18.74 C ATOM 2252 C CYS B 788 -10.166 28.804 21.945 1.00 23.84 C ATOM 2253 O CYS B 788 -11.079 29.443 22.454 1.00 24.06 O ATOM 2254 CB CYS B 788 -7.969 29.664 22.720 1.00 19.23 C ATOM 2255 SG CYS B 788 -6.728 29.679 24.041 1.00 22.12 S ATOM 0 H CYS B 788 -7.437 27.385 21.969 1.00 15.89 H new ATOM 0 HA CYS B 788 -9.179 28.374 23.691 1.00 18.74 H new ATOM 0 HB2 CYS B 788 -7.513 29.658 21.864 1.00 19.23 H new ATOM 0 HB3 CYS B 788 -8.481 30.487 22.763 1.00 19.23 H new ATOM 0 HG CYS B 788 -5.947 28.784 23.867 1.00 22.12 H new ATOM 2256 N ASP B 789 -10.248 28.309 20.729 1.00 20.33 N ATOM 2257 CA ASP B 789 -11.480 28.503 19.921 1.00 22.15 C ATOM 2258 C ASP B 789 -12.555 27.544 20.289 1.00 22.28 C ATOM 2259 O ASP B 789 -12.347 26.365 20.371 1.00 20.11 O ATOM 2260 CB ASP B 789 -11.175 28.380 18.452 1.00 21.49 C ATOM 2261 CG ASP B 789 -12.295 29.004 17.595 1.00 26.43 C ATOM 2262 OD1 ASP B 789 -13.345 28.379 17.445 1.00 27.78 O ATOM 2263 OD2 ASP B 789 -12.105 30.170 17.237 1.00 30.54 O ATOM 0 H ASP B 789 -9.624 27.862 20.340 1.00 20.33 H new ATOM 0 HA ASP B 789 -11.802 29.397 20.114 1.00 22.15 H new ATOM 0 HB2 ASP B 789 -10.332 28.819 18.256 1.00 21.49 H new ATOM 0 HB3 ASP B 789 -11.069 27.445 18.218 1.00 21.49 H new ATOM 2264 N SER B 790 -13.824 27.993 20.480 1.00 23.36 N ATOM 2265 CA SER B 790 -14.835 27.072 20.976 1.00 25.70 C ATOM 2266 C SER B 790 -15.145 25.967 19.941 1.00 21.91 C ATOM 2267 O SER B 790 -15.555 24.870 20.273 1.00 23.90 O ATOM 2268 CB SER B 790 -16.114 27.853 21.345 1.00 28.18 C ATOM 2269 OG SER B 790 -16.445 28.577 20.155 1.00 33.94 O ATOM 0 H SER B 790 -14.094 28.796 20.330 1.00 23.36 H new ATOM 0 HA SER B 790 -14.491 26.635 21.771 1.00 25.70 H new ATOM 0 HB2 SER B 790 -16.831 27.254 21.606 1.00 28.18 H new ATOM 0 HB3 SER B 790 -15.959 28.452 22.092 1.00 28.18 H new ATOM 0 HG SER B 790 -16.298 29.395 20.275 1.00 33.94 H new ATOM 2270 N LYS B 791 -14.868 26.247 18.657 1.00 21.06 N ATOM 2271 CA LYS B 791 -15.162 25.288 17.634 1.00 21.47 C ATOM 2272 C LYS B 791 -14.118 24.133 17.643 1.00 20.92 C ATOM 2273 O LYS B 791 -14.286 23.136 17.007 1.00 21.83 O ATOM 2274 CB LYS B 791 -15.104 25.958 16.272 1.00 22.83 C ATOM 2275 CG LYS B 791 -16.301 26.894 15.968 1.00 25.97 C ATOM 2276 CD LYS B 791 -15.974 27.809 14.787 1.00 32.45 C ATOM 2277 CE LYS B 791 -17.174 28.723 14.436 1.00 32.30 C ATOM 2278 NZ LYS B 791 -18.285 28.092 13.662 1.00 35.07 N ATOM 0 H LYS B 791 -14.515 26.981 18.380 1.00 21.06 H new ATOM 0 HA LYS B 791 -16.047 24.931 17.805 1.00 21.47 H new ATOM 0 HB2 LYS B 791 -14.283 26.471 16.211 1.00 22.83 H new ATOM 0 HB3 LYS B 791 -15.062 25.272 15.588 1.00 22.83 H new ATOM 0 HG2 LYS B 791 -17.089 26.366 15.767 1.00 25.97 H new ATOM 0 HG3 LYS B 791 -16.509 27.428 16.751 1.00 25.97 H new ATOM 0 HD2 LYS B 791 -15.201 28.354 15.002 1.00 32.45 H new ATOM 0 HD3 LYS B 791 -15.737 27.272 14.015 1.00 32.45 H new ATOM 0 HE2 LYS B 791 -17.541 29.074 15.262 1.00 32.30 H new ATOM 0 HE3 LYS B 791 -16.842 29.480 13.929 1.00 32.30 H new ATOM 0 HZ1 LYS B 791 -18.902 28.705 13.474 1.00 35.07 H new ATOM 0 HZ2 LYS B 791 -17.964 27.753 12.905 1.00 35.07 H new ATOM 0 HZ3 LYS B 791 -18.652 27.442 14.146 1.00 35.07 H new ATOM 2279 N SER B 792 -13.041 24.305 18.413 1.00 20.66 N ATOM 2280 CA SER B 792 -12.121 23.118 18.576 1.00 20.28 C ATOM 2281 C SER B 792 -12.782 21.902 19.148 1.00 20.89 C ATOM 2282 O SER B 792 -12.198 20.743 19.045 1.00 21.30 O ATOM 2283 CB SER B 792 -10.926 23.539 19.440 1.00 22.05 C ATOM 2284 OG SER B 792 -11.321 23.827 20.785 1.00 22.56 O ATOM 0 H SER B 792 -12.819 25.026 18.826 1.00 20.66 H new ATOM 0 HA SER B 792 -11.833 22.855 17.688 1.00 20.28 H new ATOM 0 HB2 SER B 792 -10.262 22.832 19.442 1.00 22.05 H new ATOM 0 HB3 SER B 792 -10.505 24.322 19.051 1.00 22.05 H new ATOM 0 HG SER B 792 -11.662 24.594 20.819 1.00 22.56 H new ATOM 2285 N CYS B 793 -13.944 22.025 19.851 1.00 21.83 N ATOM 2286 CA CYS B 793 -14.626 20.882 20.419 1.00 23.86 C ATOM 2287 C CYS B 793 -14.874 19.756 19.431 1.00 24.49 C ATOM 2288 O CYS B 793 -14.776 18.596 19.818 1.00 24.67 O ATOM 2289 CB CYS B 793 -15.960 21.293 21.132 1.00 27.68 C ATOM 2290 SG CYS B 793 -17.258 21.914 20.043 1.00 27.77 S ATOM 0 H CYS B 793 -14.336 22.777 19.997 1.00 21.83 H new ATOM 0 HA CYS B 793 -14.013 20.531 21.084 1.00 23.86 H new ATOM 0 HB2 CYS B 793 -16.303 20.523 21.613 1.00 27.68 H new ATOM 0 HB3 CYS B 793 -15.760 21.974 21.793 1.00 27.68 H new ATOM 0 HG CYS B 793 -17.042 23.064 19.778 1.00 27.77 H new ATOM 2291 N PHE B 794 -15.104 20.116 18.144 1.00 20.07 N ATOM 2292 CA PHE B 794 -15.431 19.179 17.142 1.00 20.30 C ATOM 2293 C PHE B 794 -14.258 18.275 16.748 1.00 20.76 C ATOM 2294 O PHE B 794 -14.482 17.236 16.160 1.00 22.48 O ATOM 2295 CB PHE B 794 -15.969 19.845 15.893 1.00 23.70 C ATOM 2296 CG PHE B 794 -17.301 20.628 16.097 1.00 21.32 C ATOM 2297 CD1 PHE B 794 -18.452 19.906 16.360 1.00 20.19 C ATOM 2298 CD2 PHE B 794 -17.360 21.996 15.962 1.00 20.86 C ATOM 2299 CE1 PHE B 794 -19.701 20.573 16.479 1.00 21.40 C ATOM 2300 CE2 PHE B 794 -18.591 22.670 16.100 1.00 24.65 C ATOM 2301 CZ PHE B 794 -19.709 21.917 16.411 1.00 21.89 C ATOM 0 H PHE B 794 -15.065 20.928 17.864 1.00 20.07 H new ATOM 0 HA PHE B 794 -16.121 18.626 17.541 1.00 20.30 H new ATOM 0 HB2 PHE B 794 -15.297 20.456 15.552 1.00 23.70 H new ATOM 0 HB3 PHE B 794 -16.107 19.167 15.213 1.00 23.70 H new ATOM 0 HD1 PHE B 794 -18.408 18.982 16.459 1.00 20.19 H new ATOM 0 HD2 PHE B 794 -16.586 22.478 15.779 1.00 20.86 H new ATOM 0 HE1 PHE B 794 -20.489 20.095 16.600 1.00 21.40 H new ATOM 0 HE2 PHE B 794 -18.649 23.591 15.986 1.00 24.65 H new ATOM 0 HZ PHE B 794 -20.507 22.363 16.582 1.00 21.89 H new ATOM 2302 N PHE B 795 -13.070 18.742 17.086 1.00 21.50 N ATOM 2303 CA PHE B 795 -11.820 18.117 16.621 1.00 17.67 C ATOM 2304 C PHE B 795 -11.040 17.546 17.784 1.00 21.60 C ATOM 2305 O PHE B 795 -9.941 17.107 17.502 1.00 22.09 O ATOM 2306 CB PHE B 795 -11.006 19.161 15.910 1.00 18.46 C ATOM 2307 CG PHE B 795 -11.760 19.744 14.696 1.00 20.02 C ATOM 2308 CD1 PHE B 795 -11.934 18.959 13.596 1.00 21.09 C ATOM 2309 CD2 PHE B 795 -12.334 21.022 14.772 1.00 21.95 C ATOM 2310 CE1 PHE B 795 -12.683 19.405 12.503 1.00 24.07 C ATOM 2311 CE2 PHE B 795 -13.087 21.486 13.662 1.00 22.58 C ATOM 2312 CZ PHE B 795 -13.268 20.643 12.574 1.00 22.60 C ATOM 0 H PHE B 795 -12.954 19.429 17.590 1.00 21.50 H new ATOM 0 HA PHE B 795 -12.026 17.386 16.018 1.00 17.67 H new ATOM 0 HB2 PHE B 795 -10.785 19.876 16.528 1.00 18.46 H new ATOM 0 HB3 PHE B 795 -10.168 18.772 15.614 1.00 18.46 H new ATOM 0 HD1 PHE B 795 -11.548 18.113 13.572 1.00 21.09 H new ATOM 0 HD2 PHE B 795 -12.224 21.551 15.529 1.00 21.95 H new ATOM 0 HE1 PHE B 795 -12.782 18.874 11.746 1.00 24.07 H new ATOM 0 HE2 PHE B 795 -13.453 22.341 13.664 1.00 22.58 H new ATOM 0 HZ PHE B 795 -13.804 20.928 11.869 1.00 22.60 H new ATOM 2313 N ALA B 796 -11.547 17.651 19.008 1.00 20.05 N ATOM 2314 CA ALA B 796 -10.713 17.335 20.235 1.00 19.34 C ATOM 2315 C ALA B 796 -10.585 15.844 20.430 1.00 21.45 C ATOM 2316 O ALA B 796 -9.453 15.350 20.692 1.00 21.82 O ATOM 2317 CB ALA B 796 -11.299 17.981 21.468 1.00 19.90 C ATOM 0 H ALA B 796 -12.354 17.897 19.177 1.00 20.05 H new ATOM 0 HA ALA B 796 -9.826 17.701 20.093 1.00 19.34 H new ATOM 0 HB1 ALA B 796 -10.750 17.766 22.238 1.00 19.90 H new ATOM 0 HB2 ALA B 796 -11.324 18.943 21.348 1.00 19.90 H new ATOM 0 HB3 ALA B 796 -12.199 17.650 21.610 1.00 19.90 H new ATOM 2318 N SER B 797 -11.667 15.083 20.284 1.00 21.95 N ATOM 2319 CA SER B 797 -11.741 13.652 20.565 1.00 23.43 C ATOM 2320 C SER B 797 -11.749 12.810 19.313 1.00 23.81 C ATOM 2321 O SER B 797 -11.846 13.340 18.188 1.00 25.34 O ATOM 2322 CB SER B 797 -13.050 13.375 21.403 1.00 28.38 C ATOM 2323 OG SER B 797 -12.917 13.959 22.683 1.00 38.27 O ATOM 0 H SER B 797 -12.415 15.404 20.005 1.00 21.95 H new ATOM 0 HA SER B 797 -10.947 13.402 21.063 1.00 23.43 H new ATOM 0 HB2 SER B 797 -13.823 13.743 20.947 1.00 28.38 H new ATOM 0 HB3 SER B 797 -13.198 12.420 21.485 1.00 28.38 H new ATOM 0 HG SER B 797 -13.613 13.814 23.131 1.00 38.27 H new ATOM 2324 N GLU B 798 -11.562 11.492 19.465 1.00 26.14 N ATOM 2325 CA GLU B 798 -11.564 10.586 18.312 1.00 27.30 C ATOM 2326 C GLU B 798 -12.890 10.720 17.525 1.00 34.86 C ATOM 2327 O GLU B 798 -13.990 10.621 18.114 1.00 32.96 O ATOM 2328 CB GLU B 798 -11.414 9.154 18.770 1.00 33.33 C ATOM 2329 CG GLU B 798 -10.953 8.172 17.707 1.00 38.99 C ATOM 2330 CD GLU B 798 -10.644 6.776 18.295 1.00 43.69 C ATOM 2331 OE1 GLU B 798 -10.289 5.903 17.507 1.00 59.83 O ATOM 2332 OE2 GLU B 798 -10.774 6.519 19.512 1.00 47.88 O ATOM 0 H GLU B 798 -11.433 11.107 20.223 1.00 26.14 H new ATOM 0 HA GLU B 798 -10.819 10.826 17.739 1.00 27.30 H new ATOM 0 HB2 GLU B 798 -10.782 9.131 19.505 1.00 33.33 H new ATOM 0 HB3 GLU B 798 -12.267 8.852 19.119 1.00 33.33 H new ATOM 0 HG2 GLU B 798 -11.639 8.090 17.026 1.00 38.99 H new ATOM 0 HG3 GLU B 798 -10.160 8.520 17.270 1.00 38.99 H new ATOM 2333 N PRO B 799 -12.792 10.975 16.214 1.00 31.87 N ATOM 2334 CA PRO B 799 -14.029 11.118 15.498 1.00 40.78 C ATOM 2335 C PRO B 799 -14.654 9.755 15.263 1.00 41.34 C ATOM 2336 O PRO B 799 -13.956 8.708 15.239 1.00 34.57 O ATOM 2337 CB PRO B 799 -13.593 11.754 14.146 1.00 38.85 C ATOM 2338 CG PRO B 799 -12.189 11.466 14.016 1.00 39.21 C ATOM 2339 CD PRO B 799 -11.651 11.431 15.406 1.00 36.94 C ATOM 0 HA PRO B 799 -14.688 11.650 15.972 1.00 40.78 H new ATOM 0 HB2 PRO B 799 -14.096 11.379 13.406 1.00 38.85 H new ATOM 0 HB3 PRO B 799 -13.754 12.710 14.143 1.00 38.85 H new ATOM 0 HG2 PRO B 799 -12.048 10.618 13.567 1.00 39.21 H new ATOM 0 HG3 PRO B 799 -11.742 12.145 13.487 1.00 39.21 H new ATOM 0 HD2 PRO B 799 -10.897 10.825 15.481 1.00 36.94 H new ATOM 0 HD3 PRO B 799 -11.341 12.305 15.690 1.00 36.94 H new ATOM 2340 N TYR B 800 -15.978 9.792 15.153 1.00 49.30 N ATOM 2341 CA TYR B 800 -16.759 8.634 14.735 1.00 53.89 C ATOM 2342 C TYR B 800 -17.032 8.789 13.214 1.00 55.73 C ATOM 2343 O TYR B 800 -17.537 9.844 12.759 1.00 48.03 O ATOM 2344 CB TYR B 800 -18.083 8.628 15.472 1.00 53.48 C ATOM 2345 CG TYR B 800 -18.934 7.496 15.041 1.00 67.28 C ATOM 2346 CD1 TYR B 800 -18.495 6.184 15.226 1.00 75.41 C ATOM 2347 CD2 TYR B 800 -20.175 7.712 14.423 1.00 78.74 C ATOM 2348 CE1 TYR B 800 -19.263 5.111 14.824 1.00 78.19 C ATOM 2349 CE2 TYR B 800 -20.958 6.638 14.012 1.00 82.80 C ATOM 2350 CZ TYR B 800 -20.491 5.338 14.219 1.00 86.92 C ATOM 2351 OH TYR B 800 -21.246 4.264 13.831 1.00 94.91 O ATOM 0 H TYR B 800 -16.450 10.492 15.319 1.00 49.30 H new ATOM 0 HA TYR B 800 -16.284 7.810 14.926 1.00 53.89 H new ATOM 0 HB2 TYR B 800 -17.924 8.570 16.427 1.00 53.48 H new ATOM 0 HB3 TYR B 800 -18.548 9.464 15.312 1.00 53.48 H new ATOM 0 HD1 TYR B 800 -17.670 6.031 15.627 1.00 75.41 H new ATOM 0 HD2 TYR B 800 -20.477 8.581 14.287 1.00 78.74 H new ATOM 0 HE1 TYR B 800 -18.960 4.242 14.957 1.00 78.19 H new ATOM 0 HE2 TYR B 800 -21.781 6.784 13.605 1.00 82.80 H new ATOM 0 HH TYR B 800 -21.960 4.535 13.482 1.00 94.91 H new ATOM 2352 N TYR B 801 -16.695 7.774 12.422 1.00 49.28 N ATOM 2353 CA TYR B 801 -17.001 7.849 11.002 1.00 52.37 C ATOM 2354 C TYR B 801 -18.103 6.834 10.559 1.00 55.57 C ATOM 2355 O TYR B 801 -19.320 7.148 10.656 1.00 52.28 O ATOM 2356 CB TYR B 801 -15.710 7.716 10.209 1.00 45.59 C ATOM 2357 CG TYR B 801 -14.763 8.852 10.386 1.00 38.47 C ATOM 2358 CD1 TYR B 801 -15.165 10.159 10.191 1.00 34.15 C ATOM 2359 CD2 TYR B 801 -13.450 8.617 10.745 1.00 42.42 C ATOM 2360 CE1 TYR B 801 -14.300 11.213 10.286 1.00 32.60 C ATOM 2361 CE2 TYR B 801 -12.560 9.695 10.863 1.00 40.53 C ATOM 2362 CZ TYR B 801 -13.017 10.970 10.616 1.00 33.85 C ATOM 2363 OH TYR B 801 -12.181 12.009 10.774 1.00 36.12 O ATOM 0 H TYR B 801 -16.300 7.054 12.679 1.00 49.28 H new ATOM 0 HA TYR B 801 -17.390 8.717 10.813 1.00 52.37 H new ATOM 0 HB2 TYR B 801 -15.266 6.894 10.470 1.00 45.59 H new ATOM 0 HB3 TYR B 801 -15.928 7.634 9.267 1.00 45.59 H new ATOM 0 HD1 TYR B 801 -16.057 10.328 9.988 1.00 34.15 H new ATOM 0 HD2 TYR B 801 -13.158 7.749 10.908 1.00 42.42 H new ATOM 0 HE1 TYR B 801 -14.592 12.081 10.126 1.00 32.60 H new ATOM 0 HE2 TYR B 801 -11.674 9.550 11.105 1.00 40.53 H new ATOM 0 HH TYR B 801 -12.395 12.624 10.244 1.00 36.12 H new ATOM 2364 N ASN B 802 -17.650 5.661 10.090 1.00 62.83 N ATOM 2365 CA ASN B 802 -18.452 4.544 9.587 1.00 63.66 C ATOM 2366 C ASN B 802 -18.131 3.365 10.535 1.00 74.72 C ATOM 2367 O ASN B 802 -17.128 2.690 10.319 1.00 83.38 O ATOM 2368 CB ASN B 802 -17.990 4.164 8.135 1.00 60.46 C ATOM 2369 CG ASN B 802 -17.969 5.358 7.135 1.00 45.06 C ATOM 2370 OD1 ASN B 802 -18.994 5.917 6.851 1.00 38.74 O ATOM 2371 ND2 ASN B 802 -16.791 5.686 6.552 1.00 40.70 N ATOM 0 H ASN B 802 -16.808 5.490 10.057 1.00 62.83 H new ATOM 0 HA ASN B 802 -19.397 4.761 9.558 1.00 63.66 H new ATOM 0 HB2 ASN B 802 -17.101 3.778 8.180 1.00 60.46 H new ATOM 0 HB3 ASN B 802 -18.580 3.476 7.789 1.00 60.46 H new ATOM 0 HD21 ASN B 802 -16.763 6.310 5.961 1.00 40.70 H new ATOM 0 HD22 ASN B 802 -16.071 5.270 6.773 1.00 40.70 H new ATOM 2372 N ARG B 803 -18.916 3.129 11.591 1.00 93.70 N ATOM 2373 CA ARG B 803 -18.588 2.039 12.548 1.00106.37 C ATOM 2374 C ARG B 803 -18.797 0.675 11.899 1.00112.26 C ATOM 2375 O ARG B 803 -19.911 0.394 11.476 1.00121.32 O ATOM 2376 CB ARG B 803 -19.451 2.077 13.806 1.00104.46 C ATOM 0 H ARG B 803 -19.629 3.572 11.777 1.00 93.70 H new ATOM 0 HA ARG B 803 -17.660 2.176 12.794 1.00106.37 H new ATOM 2377 N GLU B 804 -17.773 -0.178 11.789 1.00124.40 N ATOM 2378 CA GLU B 804 -16.355 0.122 12.065 1.00123.67 C ATOM 2379 C GLU B 804 -15.515 -0.523 10.960 1.00121.34 C ATOM 2380 O GLU B 804 -15.109 0.174 10.022 1.00125.12 O ATOM 2381 CB GLU B 804 -15.935 -0.351 13.467 1.00120.03 C ATOM 0 H GLU B 804 -17.890 -0.992 11.538 1.00124.40 H new ATOM 0 HA GLU B 804 -16.212 1.081 12.062 1.00123.67 H new ATOM 2382 N GLY B 805 -15.294 -1.841 11.040 1.00116.24 N ATOM 2383 CA GLY B 805 -14.422 -2.551 10.098 1.00110.95 C ATOM 2384 C GLY B 805 -13.106 -1.811 9.908 1.00115.60 C ATOM 2385 O GLY B 805 -12.574 -1.227 10.862 1.00124.44 O ATOM 0 H GLY B 805 -15.645 -2.346 11.641 1.00116.24 H new ATOM 0 HA2 GLY B 805 -14.248 -3.447 10.426 1.00110.95 H new ATOM 0 HA3 GLY B 805 -14.871 -2.643 9.243 1.00110.95 H new ATOM 2386 N SER B 806 -12.592 -1.825 8.679 1.00111.62 N ATOM 2387 CA SER B 806 -11.491 -0.947 8.273 1.00103.84 C ATOM 2388 C SER B 806 -12.000 0.306 7.507 1.00101.52 C ATOM 2389 O SER B 806 -11.205 0.963 6.824 1.00107.67 O ATOM 2390 CB SER B 806 -10.465 -1.733 7.433 1.00 98.60 C ATOM 0 H SER B 806 -12.872 -2.345 8.054 1.00111.62 H new ATOM 0 HA SER B 806 -11.054 -0.627 9.078 1.00103.84 H new ATOM 2391 N GLN B 807 -13.283 0.678 7.670 1.00 91.12 N ATOM 2392 CA GLN B 807 -13.896 1.793 6.896 1.00 84.85 C ATOM 2393 C GLN B 807 -13.452 3.225 7.303 1.00 66.90 C ATOM 2394 O GLN B 807 -13.953 4.212 6.739 1.00 59.61 O ATOM 2395 CB GLN B 807 -15.438 1.695 6.918 1.00 83.15 C ATOM 0 H GLN B 807 -13.821 0.299 8.224 1.00 91.12 H new ATOM 0 HA GLN B 807 -13.556 1.669 5.996 1.00 84.85 H new ATOM 2396 N GLY B 808 -12.556 3.348 8.288 1.00 55.90 N ATOM 2397 CA GLY B 808 -11.937 4.629 8.608 1.00 50.49 C ATOM 2398 C GLY B 808 -10.911 5.155 7.584 1.00 44.22 C ATOM 2399 O GLY B 808 -10.511 4.460 6.617 1.00 45.54 O ATOM 0 H GLY B 808 -12.295 2.695 8.783 1.00 55.90 H new ATOM 0 HA2 GLY B 808 -12.638 5.292 8.707 1.00 50.49 H new ATOM 0 HA3 GLY B 808 -11.498 4.550 9.469 1.00 50.49 H new ATOM 2400 N PRO B 809 -10.446 6.390 7.810 1.00 38.63 N ATOM 2401 CA PRO B 809 -9.467 7.018 6.944 1.00 40.97 C ATOM 2402 C PRO B 809 -8.095 6.365 7.138 1.00 42.48 C ATOM 2403 O PRO B 809 -7.882 5.596 8.145 1.00 36.56 O ATOM 2404 CB PRO B 809 -9.429 8.484 7.447 1.00 39.31 C ATOM 2405 CG PRO B 809 -9.715 8.340 8.910 1.00 39.63 C ATOM 2406 CD PRO B 809 -10.734 7.213 9.007 1.00 42.14 C ATOM 0 HA PRO B 809 -9.687 6.941 6.002 1.00 40.97 H new ATOM 0 HB2 PRO B 809 -8.566 8.897 7.288 1.00 39.31 H new ATOM 0 HB3 PRO B 809 -10.093 9.034 7.003 1.00 39.31 H new ATOM 0 HG2 PRO B 809 -8.909 8.127 9.406 1.00 39.63 H new ATOM 0 HG3 PRO B 809 -10.067 9.164 9.281 1.00 39.63 H new ATOM 0 HD2 PRO B 809 -10.628 6.704 9.826 1.00 42.14 H new ATOM 0 HD3 PRO B 809 -11.643 7.551 8.999 1.00 42.14 H new ATOM 2407 N GLN B 810 -7.193 6.741 6.237 1.00 43.14 N ATOM 2408 CA GLN B 810 -5.842 6.204 6.190 1.00 47.30 C ATOM 2409 C GLN B 810 -5.133 6.470 7.513 1.00 42.39 C ATOM 2410 O GLN B 810 -4.554 5.539 8.133 1.00 40.77 O ATOM 2411 CB GLN B 810 -5.076 6.805 5.004 1.00 57.05 C ATOM 2412 CG GLN B 810 -3.746 6.125 4.696 1.00 70.32 C ATOM 2413 CD GLN B 810 -2.767 7.071 4.001 1.00 80.37 C ATOM 2414 OE1 GLN B 810 -2.266 8.032 4.604 1.00 85.12 O ATOM 2415 NE2 GLN B 810 -2.493 6.807 2.732 1.00 87.78 N ATOM 0 H GLN B 810 -7.354 7.325 5.627 1.00 43.14 H new ATOM 0 HA GLN B 810 -5.878 5.244 6.059 1.00 47.30 H new ATOM 0 HB2 GLN B 810 -5.639 6.761 4.215 1.00 57.05 H new ATOM 0 HB3 GLN B 810 -4.912 7.744 5.183 1.00 57.05 H new ATOM 0 HG2 GLN B 810 -3.351 5.800 5.520 1.00 70.32 H new ATOM 0 HG3 GLN B 810 -3.902 5.351 4.132 1.00 70.32 H new ATOM 0 HE21 GLN B 810 -2.859 6.132 2.345 1.00 87.78 H new ATOM 0 HE22 GLN B 810 -1.950 7.311 2.296 1.00 87.78 H new ATOM 2416 N LYS B 811 -5.202 7.705 7.986 1.00 32.29 N ATOM 2417 CA LYS B 811 -4.659 8.007 9.321 1.00 30.07 C ATOM 2418 C LYS B 811 -5.656 8.968 10.107 1.00 24.88 C ATOM 2419 O LYS B 811 -5.690 10.145 9.822 1.00 27.08 O ATOM 2420 CB LYS B 811 -3.292 8.638 9.172 1.00 35.35 C ATOM 2421 CG LYS B 811 -2.583 8.921 10.487 1.00 35.07 C ATOM 2422 CD LYS B 811 -1.141 9.379 10.275 1.00 38.58 C ATOM 2423 CE LYS B 811 -0.603 9.739 11.624 1.00 38.98 C ATOM 2424 NZ LYS B 811 0.763 10.315 11.567 1.00 43.36 N ATOM 0 H LYS B 811 -5.548 8.373 7.570 1.00 32.29 H new ATOM 0 HA LYS B 811 -4.567 7.189 9.834 1.00 30.07 H new ATOM 0 HB2 LYS B 811 -2.734 8.052 8.636 1.00 35.35 H new ATOM 0 HB3 LYS B 811 -3.384 9.470 8.681 1.00 35.35 H new ATOM 0 HG2 LYS B 811 -3.070 9.604 10.975 1.00 35.07 H new ATOM 0 HG3 LYS B 811 -2.590 8.121 11.035 1.00 35.07 H new ATOM 0 HD2 LYS B 811 -0.612 8.674 9.870 1.00 38.58 H new ATOM 0 HD3 LYS B 811 -1.106 10.141 9.675 1.00 38.58 H new ATOM 0 HE2 LYS B 811 -1.200 10.377 12.046 1.00 38.98 H new ATOM 0 HE3 LYS B 811 -0.592 8.947 12.184 1.00 38.98 H new ATOM 0 HZ1 LYS B 811 1.288 9.894 12.149 1.00 43.36 H new ATOM 0 HZ2 LYS B 811 1.093 10.217 10.746 1.00 43.36 H new ATOM 0 HZ3 LYS B 811 0.729 11.181 11.771 1.00 43.36 H new ATOM 2425 N PRO B 812 -6.358 8.420 11.092 1.00 28.12 N ATOM 2426 CA PRO B 812 -7.264 9.293 11.873 1.00 27.20 C ATOM 2427 C PRO B 812 -6.406 10.162 12.799 1.00 28.11 C ATOM 2428 O PRO B 812 -5.264 9.774 13.140 1.00 26.32 O ATOM 2429 CB PRO B 812 -8.174 8.311 12.640 1.00 32.25 C ATOM 2430 CG PRO B 812 -7.593 6.969 12.478 1.00 36.17 C ATOM 2431 CD PRO B 812 -6.586 6.998 11.381 1.00 33.93 C ATOM 0 HA PRO B 812 -7.802 9.902 11.343 1.00 27.20 H new ATOM 0 HB2 PRO B 812 -8.225 8.552 13.578 1.00 32.25 H new ATOM 0 HB3 PRO B 812 -9.079 8.338 12.291 1.00 32.25 H new ATOM 0 HG2 PRO B 812 -7.176 6.683 13.306 1.00 36.17 H new ATOM 0 HG3 PRO B 812 -8.290 6.326 12.274 1.00 36.17 H new ATOM 0 HD2 PRO B 812 -5.763 6.561 11.651 1.00 33.93 H new ATOM 0 HD3 PRO B 812 -6.912 6.530 10.596 1.00 33.93 H new ATOM 2432 N MET B 813 -6.912 11.346 13.089 1.00 23.98 N ATOM 2433 CA MET B 813 -6.159 12.264 13.919 1.00 23.05 C ATOM 2434 C MET B 813 -7.175 13.182 14.633 1.00 22.96 C ATOM 2435 O MET B 813 -8.253 13.539 14.088 1.00 23.60 O ATOM 2436 CB MET B 813 -5.223 13.076 13.084 1.00 21.92 C ATOM 2437 CG MET B 813 -4.211 13.947 13.806 1.00 20.98 C ATOM 2438 SD MET B 813 -3.208 13.043 15.106 1.00 23.20 S ATOM 2439 CE MET B 813 -2.523 11.708 14.061 1.00 29.57 C ATOM 0 H MET B 813 -7.677 11.634 12.821 1.00 23.98 H new ATOM 0 HA MET B 813 -5.626 11.776 14.566 1.00 23.05 H new ATOM 0 HB2 MET B 813 -4.736 12.469 12.505 1.00 21.92 H new ATOM 0 HB3 MET B 813 -5.755 13.649 12.510 1.00 21.92 H new ATOM 0 HG2 MET B 813 -3.605 14.330 13.153 1.00 20.98 H new ATOM 0 HG3 MET B 813 -4.677 14.686 14.228 1.00 20.98 H new ATOM 0 HE1 MET B 813 -1.696 11.384 14.451 1.00 29.57 H new ATOM 0 HE2 MET B 813 -3.161 10.980 14.006 1.00 29.57 H new ATOM 0 HE3 MET B 813 -2.348 12.051 13.171 1.00 29.57 H new ATOM 2440 N TRP B 814 -6.818 13.632 15.817 1.00 20.39 N ATOM 2441 CA TRP B 814 -7.611 14.538 16.600 1.00 19.74 C ATOM 2442 C TRP B 814 -6.735 15.292 17.599 1.00 19.90 C ATOM 2443 O TRP B 814 -5.576 14.954 17.775 1.00 19.00 O ATOM 2444 CB TRP B 814 -8.751 13.795 17.310 1.00 20.09 C ATOM 2445 CG TRP B 814 -8.372 12.634 18.158 1.00 21.89 C ATOM 2446 CD1 TRP B 814 -8.207 12.705 19.494 1.00 23.55 C ATOM 2447 CD2 TRP B 814 -8.111 11.308 17.777 1.00 23.44 C ATOM 2448 NE1 TRP B 814 -7.838 11.489 19.979 1.00 24.47 N ATOM 2449 CE2 TRP B 814 -7.750 10.618 18.939 1.00 25.12 C ATOM 2450 CE3 TRP B 814 -8.088 10.626 16.554 1.00 25.95 C ATOM 2451 CZ2 TRP B 814 -7.429 9.237 18.949 1.00 27.78 C ATOM 2452 CZ3 TRP B 814 -7.727 9.216 16.541 1.00 29.44 C ATOM 2453 CH2 TRP B 814 -7.401 8.564 17.729 1.00 27.68 C ATOM 0 H TRP B 814 -6.080 13.408 16.198 1.00 20.39 H new ATOM 0 HA TRP B 814 -8.012 15.188 16.002 1.00 19.74 H new ATOM 0 HB2 TRP B 814 -9.227 14.432 17.866 1.00 20.09 H new ATOM 0 HB3 TRP B 814 -9.376 13.485 16.636 1.00 20.09 H new ATOM 0 HD1 TRP B 814 -8.327 13.471 20.007 1.00 23.55 H new ATOM 0 HE1 TRP B 814 -7.686 11.303 20.805 1.00 24.47 H new ATOM 0 HE3 TRP B 814 -8.300 11.067 15.763 1.00 25.95 H new ATOM 0 HZ2 TRP B 814 -7.243 8.794 19.745 1.00 27.78 H new ATOM 0 HZ3 TRP B 814 -7.714 8.748 15.737 1.00 29.44 H new ATOM 0 HH2 TRP B 814 -7.161 7.666 17.707 1.00 27.68 H new ATOM 2454 N LEU B 815 -7.206 16.421 18.149 1.00 16.30 N ATOM 2455 CA LEU B 815 -6.365 17.299 18.903 1.00 17.91 C ATOM 2456 C LEU B 815 -5.813 16.630 20.160 1.00 16.59 C ATOM 2457 O LEU B 815 -4.639 16.803 20.418 1.00 18.15 O ATOM 2458 CB LEU B 815 -7.031 18.615 19.303 1.00 17.87 C ATOM 2459 CG LEU B 815 -7.505 19.463 18.111 1.00 17.67 C ATOM 2460 CD1 LEU B 815 -8.475 20.541 18.610 1.00 21.45 C ATOM 2461 CD2 LEU B 815 -6.371 20.134 17.452 1.00 18.85 C ATOM 0 H LEU B 815 -8.023 16.681 18.084 1.00 16.30 H new ATOM 0 HA LEU B 815 -5.640 17.508 18.293 1.00 17.91 H new ATOM 0 HB2 LEU B 815 -7.791 18.422 19.873 1.00 17.87 H new ATOM 0 HB3 LEU B 815 -6.406 19.136 19.831 1.00 17.87 H new ATOM 0 HG LEU B 815 -7.939 18.872 17.475 1.00 17.67 H new ATOM 0 HD11 LEU B 815 -8.776 21.078 17.860 1.00 21.45 H new ATOM 0 HD12 LEU B 815 -9.239 20.118 19.032 1.00 21.45 H new ATOM 0 HD13 LEU B 815 -8.024 21.109 19.254 1.00 21.45 H new ATOM 0 HD21 LEU B 815 -6.696 20.661 16.705 1.00 18.85 H new ATOM 0 HD22 LEU B 815 -5.925 20.715 18.088 1.00 18.85 H new ATOM 0 HD23 LEU B 815 -5.744 19.468 17.128 1.00 18.85 H new ATOM 2462 N ASN B 816 -6.590 15.848 20.846 1.00 17.05 N ATOM 2463 CA ASN B 816 -6.111 15.241 22.076 1.00 17.26 C ATOM 2464 C ASN B 816 -4.976 14.250 21.748 1.00 18.36 C ATOM 2465 O ASN B 816 -4.064 14.097 22.612 1.00 19.77 O ATOM 2466 CB ASN B 816 -7.219 14.567 22.862 1.00 17.82 C ATOM 2467 CG ASN B 816 -8.257 15.521 23.421 1.00 20.12 C ATOM 2468 OD1 ASN B 816 -8.033 16.755 23.561 1.00 20.49 O ATOM 2469 ND2 ASN B 816 -9.332 14.935 23.908 1.00 19.76 N ATOM 0 H ASN B 816 -7.398 15.647 20.630 1.00 17.05 H new ATOM 0 HA ASN B 816 -5.769 15.947 22.647 1.00 17.26 H new ATOM 0 HB2 ASN B 816 -7.663 13.923 22.288 1.00 17.82 H new ATOM 0 HB3 ASN B 816 -6.824 14.069 23.595 1.00 17.82 H new ATOM 0 HD21 ASN B 816 -9.914 15.396 24.341 1.00 19.76 H new ATOM 0 HD22 ASN B 816 -9.451 14.091 23.793 1.00 19.76 H new ATOM 2470 N LYS B 817 -4.992 13.631 20.593 1.00 17.37 N ATOM 2471 CA LYS B 817 -3.934 12.731 20.148 1.00 18.10 C ATOM 2472 C LYS B 817 -2.653 13.523 19.856 1.00 19.54 C ATOM 2473 O LYS B 817 -1.512 13.104 20.239 1.00 19.25 O ATOM 2474 CB LYS B 817 -4.318 11.904 18.982 1.00 19.46 C ATOM 2475 CG LYS B 817 -3.273 10.961 18.470 1.00 22.78 C ATOM 2476 CD LYS B 817 -3.814 10.132 17.360 1.00 30.32 C ATOM 2477 CE LYS B 817 -2.638 9.353 16.799 1.00 40.38 C ATOM 2478 NZ LYS B 817 -2.993 8.640 15.540 1.00 54.00 N ATOM 0 H LYS B 817 -5.631 13.718 20.024 1.00 17.37 H new ATOM 0 HA LYS B 817 -3.772 12.110 20.875 1.00 18.10 H new ATOM 0 HB2 LYS B 817 -5.105 11.388 19.219 1.00 19.46 H new ATOM 0 HB3 LYS B 817 -4.575 12.497 18.259 1.00 19.46 H new ATOM 0 HG2 LYS B 817 -2.502 11.462 18.160 1.00 22.78 H new ATOM 0 HG3 LYS B 817 -2.968 10.387 19.190 1.00 22.78 H new ATOM 0 HD2 LYS B 817 -4.505 9.532 17.681 1.00 30.32 H new ATOM 0 HD3 LYS B 817 -4.218 10.690 16.677 1.00 30.32 H new ATOM 0 HE2 LYS B 817 -1.900 9.959 16.630 1.00 40.38 H new ATOM 0 HE3 LYS B 817 -2.332 8.711 17.458 1.00 40.38 H new ATOM 0 HZ1 LYS B 817 -2.874 7.765 15.651 1.00 54.00 H new ATOM 0 HZ2 LYS B 817 -3.845 8.800 15.338 1.00 54.00 H new ATOM 0 HZ3 LYS B 817 -2.472 8.928 14.878 1.00 54.00 H new ATOM 2479 N VAL B 818 -2.740 14.689 19.219 1.00 18.65 N ATOM 2480 CA VAL B 818 -1.613 15.581 19.042 1.00 18.43 C ATOM 2481 C VAL B 818 -1.037 16.029 20.373 1.00 17.29 C ATOM 2482 O VAL B 818 0.156 16.127 20.566 1.00 19.85 O ATOM 2483 CB VAL B 818 -1.945 16.817 18.159 1.00 18.73 C ATOM 2484 CG1 VAL B 818 -0.766 17.740 18.028 1.00 19.67 C ATOM 2485 CG2 VAL B 818 -2.439 16.325 16.805 1.00 18.58 C ATOM 0 H VAL B 818 -3.471 14.983 18.874 1.00 18.65 H new ATOM 0 HA VAL B 818 -0.943 15.062 18.570 1.00 18.43 H new ATOM 0 HB VAL B 818 -2.644 17.340 18.583 1.00 18.73 H new ATOM 0 HG11 VAL B 818 -1.008 18.498 17.473 1.00 19.67 H new ATOM 0 HG12 VAL B 818 -0.502 18.055 18.907 1.00 19.67 H new ATOM 0 HG13 VAL B 818 -0.026 17.264 17.620 1.00 19.67 H new ATOM 0 HG21 VAL B 818 -2.651 17.086 16.242 1.00 18.58 H new ATOM 0 HG22 VAL B 818 -1.747 15.792 16.382 1.00 18.58 H new ATOM 0 HG23 VAL B 818 -3.234 15.783 16.928 1.00 18.58 H new ATOM 2486 N LYS B 819 -1.929 16.432 21.302 1.00 16.60 N ATOM 2487 CA LYS B 819 -1.486 16.821 22.652 1.00 17.23 C ATOM 2488 C LYS B 819 -0.657 15.715 23.350 1.00 15.32 C ATOM 2489 O LYS B 819 0.443 16.029 23.868 1.00 18.08 O ATOM 2490 CB LYS B 819 -2.723 17.189 23.518 1.00 18.54 C ATOM 2491 CG LYS B 819 -2.377 17.631 24.930 1.00 20.45 C ATOM 2492 CD LYS B 819 -3.543 17.967 25.836 1.00 23.68 C ATOM 2493 CE LYS B 819 -4.047 19.323 25.594 1.00 23.99 C ATOM 2494 NZ LYS B 819 -5.003 19.774 26.719 1.00 28.30 N ATOM 0 H LYS B 819 -2.777 16.485 21.171 1.00 16.60 H new ATOM 0 HA LYS B 819 -0.903 17.591 22.557 1.00 17.23 H new ATOM 0 HB2 LYS B 819 -3.215 17.900 23.078 1.00 18.54 H new ATOM 0 HB3 LYS B 819 -3.314 16.421 23.565 1.00 18.54 H new ATOM 0 HG2 LYS B 819 -1.859 16.927 25.350 1.00 20.45 H new ATOM 0 HG3 LYS B 819 -1.803 18.410 24.872 1.00 20.45 H new ATOM 0 HD2 LYS B 819 -4.257 17.326 25.695 1.00 23.68 H new ATOM 0 HD3 LYS B 819 -3.267 17.885 26.762 1.00 23.68 H new ATOM 0 HE2 LYS B 819 -3.302 19.941 25.532 1.00 23.99 H new ATOM 0 HE3 LYS B 819 -4.510 19.351 24.742 1.00 23.99 H new ATOM 0 HZ1 LYS B 819 -5.260 20.613 26.572 1.00 28.30 H new ATOM 0 HZ2 LYS B 819 -5.717 19.243 26.732 1.00 28.30 H new ATOM 0 HZ3 LYS B 819 -4.584 19.726 27.502 1.00 28.30 H new ATOM 2495 N THR B 820 -1.145 14.501 23.276 1.00 17.22 N ATOM 2496 CA THR B 820 -0.405 13.344 23.886 1.00 18.16 C ATOM 2497 C THR B 820 0.928 13.166 23.130 1.00 16.48 C ATOM 2498 O THR B 820 1.979 12.967 23.760 1.00 19.45 O ATOM 2499 CB THR B 820 -1.271 12.087 23.759 1.00 20.17 C ATOM 2500 OG1 THR B 820 -2.411 12.264 24.594 1.00 25.26 O ATOM 2501 CG2 THR B 820 -0.481 10.840 24.241 1.00 26.11 C ATOM 0 H THR B 820 -1.886 14.296 22.891 1.00 17.22 H new ATOM 0 HA THR B 820 -0.219 13.503 24.825 1.00 18.16 H new ATOM 0 HB THR B 820 -1.529 11.953 22.834 1.00 20.17 H new ATOM 0 HG1 THR B 820 -2.979 12.739 24.196 1.00 25.26 H new ATOM 0 HG21 THR B 820 -1.039 10.051 24.156 1.00 26.11 H new ATOM 0 HG22 THR B 820 0.316 10.732 23.699 1.00 26.11 H new ATOM 0 HG23 THR B 820 -0.226 10.957 25.170 1.00 26.11 H new ATOM 2502 N SER B 821 0.956 13.259 21.794 1.00 17.80 N ATOM 2503 CA SER B 821 2.153 13.064 20.999 1.00 18.28 C ATOM 2504 C SER B 821 3.221 14.111 21.317 1.00 22.63 C ATOM 2505 O SER B 821 4.395 13.795 21.510 1.00 20.66 O ATOM 2506 CB SER B 821 1.831 13.082 19.508 1.00 19.08 C ATOM 2507 OG SER B 821 1.017 11.988 19.156 1.00 22.77 O ATOM 0 H SER B 821 0.259 13.442 21.324 1.00 17.80 H new ATOM 0 HA SER B 821 2.508 12.192 21.231 1.00 18.28 H new ATOM 0 HB2 SER B 821 1.381 13.911 19.280 1.00 19.08 H new ATOM 0 HB3 SER B 821 2.654 13.056 18.995 1.00 19.08 H new ATOM 0 HG SER B 821 0.669 12.128 18.404 1.00 22.77 H new ATOM 2508 N LEU B 822 2.811 15.365 21.533 1.00 19.04 N ATOM 2509 CA LEU B 822 3.762 16.399 22.007 1.00 19.51 C ATOM 2510 C LEU B 822 4.226 16.129 23.382 1.00 21.35 C ATOM 2511 O LEU B 822 5.402 16.314 23.648 1.00 22.41 O ATOM 2512 CB LEU B 822 3.054 17.797 22.082 1.00 21.90 C ATOM 2513 CG LEU B 822 3.176 18.701 20.967 1.00 21.84 C ATOM 2514 CD1 LEU B 822 2.258 19.969 21.186 1.00 20.43 C ATOM 2515 CD2 LEU B 822 4.573 19.133 20.446 1.00 20.78 C ATOM 0 H LEU B 822 2.005 15.641 21.416 1.00 19.04 H new ATOM 0 HA LEU B 822 4.502 16.389 21.380 1.00 19.51 H new ATOM 0 HB2 LEU B 822 2.108 17.639 22.229 1.00 21.90 H new ATOM 0 HB3 LEU B 822 3.391 18.254 22.868 1.00 21.90 H new ATOM 0 HG LEU B 822 2.881 18.130 20.240 1.00 21.84 H new ATOM 0 HD11 LEU B 822 2.349 20.569 20.429 1.00 20.43 H new ATOM 0 HD12 LEU B 822 1.333 19.689 21.267 1.00 20.43 H new ATOM 0 HD13 LEU B 822 2.528 20.428 21.997 1.00 20.43 H new ATOM 0 HD21 LEU B 822 4.466 19.739 19.696 1.00 20.78 H new ATOM 0 HD22 LEU B 822 5.059 19.580 21.156 1.00 20.78 H new ATOM 0 HD23 LEU B 822 5.068 18.350 20.159 1.00 20.78 H new ATOM 2516 N ASN B 823 3.370 15.724 24.316 1.00 22.02 N ATOM 2517 CA ASN B 823 3.767 15.473 25.759 1.00 23.80 C ATOM 2518 C ASN B 823 4.800 14.339 25.709 1.00 22.08 C ATOM 2519 O ASN B 823 5.795 14.343 26.454 1.00 26.79 O ATOM 2520 CB ASN B 823 2.535 15.125 26.581 1.00 25.29 C ATOM 2521 CG ASN B 823 2.839 14.646 28.028 1.00 26.82 C ATOM 2522 OD1 ASN B 823 2.435 13.545 28.466 1.00 38.68 O ATOM 2523 ND2 ASN B 823 3.398 15.470 28.740 1.00 27.94 N ATOM 0 H ASN B 823 2.537 15.579 24.158 1.00 22.02 H new ATOM 0 HA ASN B 823 4.154 16.252 26.189 1.00 23.80 H new ATOM 0 HB2 ASN B 823 1.959 15.904 26.625 1.00 25.29 H new ATOM 0 HB3 ASN B 823 2.038 14.431 26.120 1.00 25.29 H new ATOM 0 HD21 ASN B 823 3.526 15.302 29.574 1.00 27.94 H new ATOM 0 HD22 ASN B 823 3.663 16.217 28.407 1.00 27.94 H new ATOM 2524 N GLU B 824 4.577 13.396 24.819 1.00 20.12 N ATOM 2525 CA GLU B 824 5.433 12.218 24.711 1.00 22.65 C ATOM 2526 C GLU B 824 6.692 12.422 23.883 1.00 22.75 C ATOM 2527 O GLU B 824 7.458 11.469 23.703 1.00 26.12 O ATOM 2528 CB GLU B 824 4.608 10.994 24.272 1.00 22.68 C ATOM 2529 CG GLU B 824 3.702 10.617 25.431 1.00 29.93 C ATOM 2530 CD GLU B 824 2.655 9.533 25.174 1.00 41.79 C ATOM 2531 OE1 GLU B 824 2.705 8.861 24.154 1.00 51.87 O ATOM 2532 OE2 GLU B 824 1.760 9.358 26.051 1.00 52.47 O ATOM 0 H GLU B 824 3.927 13.413 24.256 1.00 20.12 H new ATOM 0 HA GLU B 824 5.779 12.046 25.601 1.00 22.65 H new ATOM 0 HB2 GLU B 824 4.084 11.201 23.482 1.00 22.68 H new ATOM 0 HB3 GLU B 824 5.191 10.254 24.040 1.00 22.68 H new ATOM 0 HG2 GLU B 824 4.262 10.326 26.168 1.00 29.93 H new ATOM 0 HG3 GLU B 824 3.240 11.418 25.725 1.00 29.93 H new ATOM 2533 N GLN B 825 6.918 13.638 23.387 1.00 23.37 N ATOM 2534 CA GLN B 825 8.066 13.928 22.538 1.00 24.06 C ATOM 2535 C GLN B 825 8.194 13.057 21.294 1.00 25.08 C ATOM 2536 O GLN B 825 9.269 12.564 20.900 1.00 25.35 O ATOM 2537 CB GLN B 825 9.358 13.897 23.358 1.00 29.40 C ATOM 2538 CG GLN B 825 9.296 14.873 24.506 1.00 29.83 C ATOM 2539 CD GLN B 825 10.309 14.559 25.600 1.00 30.37 C ATOM 2540 OE1 GLN B 825 10.385 13.421 26.106 1.00 36.08 O ATOM 2541 NE2 GLN B 825 11.086 15.592 25.982 1.00 25.89 N ATOM 0 H GLN B 825 6.409 14.315 23.535 1.00 23.37 H new ATOM 0 HA GLN B 825 7.908 14.822 22.196 1.00 24.06 H new ATOM 0 HB2 GLN B 825 9.507 13.001 23.699 1.00 29.40 H new ATOM 0 HB3 GLN B 825 10.112 14.112 22.787 1.00 29.40 H new ATOM 0 HG2 GLN B 825 9.454 15.770 24.172 1.00 29.83 H new ATOM 0 HG3 GLN B 825 8.403 14.865 24.885 1.00 29.83 H new ATOM 0 HE21 GLN B 825 10.998 16.359 25.604 1.00 25.89 H new ATOM 0 HE22 GLN B 825 11.670 15.484 26.604 1.00 25.89 H new ATOM 2542 N MET B 826 7.068 12.854 20.632 1.00 21.45 N ATOM 2543 CA AMET B 826 6.986 12.027 19.461 0.59 22.42 C ATOM 2544 CA BMET B 826 6.973 12.031 19.450 0.41 23.63 C ATOM 2545 C MET B 826 7.359 12.753 18.174 1.00 25.08 C ATOM 2546 O MET B 826 7.550 12.097 17.138 1.00 30.28 O ATOM 2547 CB AMET B 826 5.593 11.445 19.297 0.59 25.89 C ATOM 2548 CB BMET B 826 5.565 11.467 19.304 0.41 27.34 C ATOM 2549 CG AMET B 826 5.118 10.529 20.400 0.59 26.96 C ATOM 2550 CG BMET B 826 5.257 10.480 20.392 0.41 29.61 C ATOM 2551 SD AMET B 826 6.150 9.043 20.695 0.59 31.88 S ATOM 2552 SD BMET B 826 3.676 9.632 20.434 0.41 34.51 S ATOM 2553 CE AMET B 826 5.978 8.105 19.181 0.59 31.29 C ATOM 2554 CE BMET B 826 3.240 9.227 18.767 0.41 32.11 C ATOM 0 H AMET B 826 6.317 13.204 20.862 0.59 21.45 H new ATOM 0 H BMET B 826 6.318 13.203 20.867 0.41 21.45 H new ATOM 0 HA AMET B 826 7.635 11.321 19.606 0.59 23.63 H new ATOM 0 HA BMET B 826 7.613 11.313 19.576 0.41 23.63 H new ATOM 0 HB2AMET B 826 4.964 12.179 19.218 0.59 27.34 H new ATOM 0 HB2BMET B 826 4.920 12.191 19.329 0.41 27.34 H new ATOM 0 HB3AMET B 826 5.564 10.955 18.460 0.59 27.34 H new ATOM 0 HB3BMET B 826 5.475 11.037 18.439 0.41 27.34 H new ATOM 0 HG2AMET B 826 5.070 11.039 21.224 0.59 29.61 H new ATOM 0 HG2BMET B 826 5.947 9.798 20.363 0.41 29.61 H new ATOM 0 HG3AMET B 826 4.215 10.240 20.193 0.59 29.61 H new ATOM 0 HG3BMET B 826 5.354 10.946 21.237 0.41 29.61 H new ATOM 0 HE1AMET B 826 6.498 7.288 19.245 0.59 32.11 H new ATOM 0 HE1BMET B 826 2.387 8.766 18.758 0.41 32.11 H new ATOM 0 HE2AMET B 826 5.044 7.883 19.042 0.59 32.11 H new ATOM 0 HE2BMET B 826 3.173 10.041 18.243 0.41 32.11 H new ATOM 0 HE3AMET B 826 6.299 8.634 18.434 0.59 32.11 H new ATOM 0 HE3BMET B 826 3.921 8.652 18.385 0.41 32.11 H new ATOM 2555 N TYR B 827 7.440 14.072 18.193 1.00 22.69 N ATOM 2556 CA TYR B 827 7.805 14.839 17.032 1.00 21.31 C ATOM 2557 C TYR B 827 9.253 15.285 17.168 1.00 20.52 C ATOM 2558 O TYR B 827 9.648 15.904 18.210 1.00 23.51 O ATOM 2559 CB TYR B 827 6.904 16.071 16.891 1.00 22.76 C ATOM 2560 CG TYR B 827 5.470 15.773 16.803 1.00 18.83 C ATOM 2561 CD1 TYR B 827 4.935 14.967 15.849 1.00 20.70 C ATOM 2562 CD2 TYR B 827 4.571 16.314 17.746 1.00 21.20 C ATOM 2563 CE1 TYR B 827 3.565 14.695 15.741 1.00 20.54 C ATOM 2564 CE2 TYR B 827 3.222 15.990 17.712 1.00 19.67 C ATOM 2565 CZ TYR B 827 2.699 15.269 16.687 1.00 19.58 C ATOM 2566 OH TYR B 827 1.407 14.963 16.642 1.00 20.96 O ATOM 0 H TYR B 827 7.282 14.548 18.892 1.00 22.69 H new ATOM 0 HA TYR B 827 7.697 14.286 16.243 1.00 21.31 H new ATOM 0 HB2 TYR B 827 7.055 16.656 17.650 1.00 22.76 H new ATOM 0 HB3 TYR B 827 7.169 16.562 16.098 1.00 22.76 H new ATOM 0 HD1 TYR B 827 5.510 14.574 15.233 1.00 20.70 H new ATOM 0 HD2 TYR B 827 4.887 16.896 18.399 1.00 21.20 H new ATOM 0 HE1 TYR B 827 3.238 14.150 15.062 1.00 20.54 H new ATOM 0 HE2 TYR B 827 2.667 16.271 18.403 1.00 19.67 H new ATOM 0 HH TYR B 827 1.267 14.429 16.009 1.00 20.96 H new ATOM 2567 N THR B 828 10.083 14.917 16.185 1.00 19.21 N ATOM 2568 CA THR B 828 11.485 15.420 16.080 1.00 20.26 C ATOM 2569 C THR B 828 11.711 16.747 15.458 1.00 20.32 C ATOM 2570 O THR B 828 12.691 17.420 15.780 1.00 21.48 O ATOM 2571 CB THR B 828 12.466 14.355 15.445 1.00 22.09 C ATOM 2572 OG1 THR B 828 12.007 13.983 14.178 1.00 24.82 O ATOM 2573 CG2 THR B 828 12.477 13.081 16.277 1.00 23.96 C ATOM 0 H THR B 828 9.861 14.372 15.558 1.00 19.21 H new ATOM 0 HA THR B 828 11.692 15.564 17.017 1.00 20.26 H new ATOM 0 HB THR B 828 13.348 14.757 15.406 1.00 22.09 H new ATOM 0 HG1 THR B 828 12.532 13.419 13.844 1.00 24.82 H new ATOM 0 HG21 THR B 828 13.082 12.438 15.876 1.00 23.96 H new ATOM 0 HG22 THR B 828 12.773 13.285 17.178 1.00 23.96 H new ATOM 0 HG23 THR B 828 11.583 12.707 16.308 1.00 23.96 H new ATOM 2574 N ARG B 829 10.770 17.108 14.557 1.00 21.67 N ATOM 2575 CA AARG B 829 10.816 18.335 13.812 0.49 22.04 C ATOM 2576 CA BARG B 829 10.830 18.360 13.859 0.51 22.23 C ATOM 2577 C ARG B 829 9.423 18.996 13.846 1.00 19.19 C ATOM 2578 O ARG B 829 8.400 18.298 14.020 1.00 20.94 O ATOM 2579 CB AARG B 829 11.228 18.090 12.343 0.49 22.70 C ATOM 2580 CB BARG B 829 11.367 18.198 12.421 0.51 23.19 C ATOM 2581 CG AARG B 829 12.664 17.582 12.203 0.49 22.90 C ATOM 2582 CG BARG B 829 12.835 17.756 12.370 0.51 23.90 C ATOM 2583 CD AARG B 829 13.002 17.121 10.809 0.49 24.20 C ATOM 2584 CD BARG B 829 13.320 17.552 10.962 0.51 24.99 C ATOM 2585 NE AARG B 829 14.436 16.792 10.767 0.49 25.17 N ATOM 2586 NE BARG B 829 14.654 16.931 10.976 0.51 27.63 N ATOM 2587 CZ AARG B 829 14.951 15.634 11.179 0.49 24.23 C ATOM 2588 CZ BARG B 829 15.827 17.551 10.912 0.51 27.71 C ATOM 2589 NH1AARG B 829 14.160 14.634 11.635 0.49 22.82 N ATOM 2590 NH1BARG B 829 16.917 16.806 10.979 0.51 31.19 N ATOM 2591 NH2AARG B 829 16.260 15.515 11.128 0.49 26.54 N ATOM 2592 NH2BARG B 829 15.948 18.861 10.713 0.51 28.44 N ATOM 0 H AARG B 829 10.084 16.622 14.376 0.49 21.67 H new ATOM 0 H BARG B 829 10.092 16.620 14.351 0.51 21.67 H new ATOM 0 HA AARG B 829 11.479 18.915 14.219 0.49 22.23 H new ATOM 0 HA BARG B 829 11.452 18.941 14.325 0.51 22.23 H new ATOM 0 HB2AARG B 829 10.622 17.446 11.945 0.49 23.19 H new ATOM 0 HB2BARG B 829 10.823 17.547 11.950 0.51 23.19 H new ATOM 0 HB3AARG B 829 11.132 18.916 11.843 0.49 23.19 H new ATOM 0 HB3BARG B 829 11.273 19.041 11.950 0.51 23.19 H new ATOM 0 HG2AARG B 829 13.277 18.289 12.460 0.49 23.90 H new ATOM 0 HG2BARG B 829 13.387 18.423 12.807 0.51 23.90 H new ATOM 0 HG3AARG B 829 12.802 16.848 12.822 0.49 23.90 H new ATOM 0 HG3BARG B 829 12.940 16.931 12.869 0.51 23.90 H new ATOM 0 HD2AARG B 829 12.470 16.345 10.571 0.49 24.99 H new ATOM 0 HD2BARG B 829 12.698 16.989 10.476 0.51 24.99 H new ATOM 0 HD3AARG B 829 12.795 17.815 10.164 0.49 24.99 H new ATOM 0 HD3BARG B 829 13.356 18.403 10.497 0.51 24.99 H new ATOM 0 HE AARG B 829 14.976 17.385 10.457 0.49 27.63 H new ATOM 0 HE BARG B 829 14.677 16.073 11.032 0.51 27.63 H new ATOM 0 HH11AARG B 829 13.307 14.739 11.663 0.49 31.19 H new ATOM 0 HH11BARG B 829 16.850 15.953 11.061 0.51 31.19 H new ATOM 0 HH12AARG B 829 14.511 13.894 11.897 0.49 31.19 H new ATOM 0 HH12BARG B 829 17.693 17.175 10.941 0.51 31.19 H new ATOM 0 HH21AARG B 829 16.740 16.167 10.839 0.49 28.44 H new ATOM 0 HH21BARG B 829 15.246 19.348 10.619 0.51 28.44 H new ATOM 0 HH22AARG B 829 16.636 14.785 11.384 0.49 28.44 H new ATOM 0 HH22BARG B 829 16.729 19.220 10.679 0.51 28.44 H new ATOM 2593 N VAL B 830 9.441 20.291 13.662 1.00 21.37 N ATOM 2594 CA VAL B 830 8.137 21.068 13.621 1.00 21.81 C ATOM 2595 C VAL B 830 7.222 20.459 12.536 1.00 21.40 C ATOM 2596 O VAL B 830 6.009 20.303 12.744 1.00 19.15 O ATOM 2597 CB VAL B 830 8.424 22.531 13.437 1.00 20.45 C ATOM 2598 CG1 VAL B 830 7.137 23.259 13.049 1.00 20.60 C ATOM 2599 CG2 VAL B 830 9.092 23.191 14.589 1.00 21.86 C ATOM 0 H VAL B 830 10.152 20.763 13.558 1.00 21.37 H new ATOM 0 HA VAL B 830 7.656 20.997 14.460 1.00 21.81 H new ATOM 0 HB VAL B 830 9.074 22.591 12.720 1.00 20.45 H new ATOM 0 HG11 VAL B 830 7.323 24.204 12.930 1.00 20.60 H new ATOM 0 HG12 VAL B 830 6.794 22.891 12.220 1.00 20.60 H new ATOM 0 HG13 VAL B 830 6.477 23.145 13.750 1.00 20.60 H new ATOM 0 HG21 VAL B 830 9.238 24.128 14.385 1.00 21.86 H new ATOM 0 HG22 VAL B 830 8.530 23.116 15.376 1.00 21.86 H new ATOM 0 HG23 VAL B 830 9.945 22.761 14.759 1.00 21.86 H new ATOM 2600 N GLU B 831 7.800 20.037 11.372 1.00 20.70 N ATOM 2601 CA GLU B 831 7.071 19.246 10.413 1.00 22.76 C ATOM 2602 C GLU B 831 6.094 18.249 10.890 1.00 21.59 C ATOM 2603 O GLU B 831 4.978 18.122 10.377 1.00 23.71 O ATOM 2604 CB GLU B 831 8.079 18.611 9.407 1.00 26.14 C ATOM 2605 CG GLU B 831 7.492 17.873 8.252 1.00 38.13 C ATOM 2606 CD GLU B 831 8.644 17.154 7.502 1.00 41.93 C ATOM 2607 OE1 GLU B 831 9.331 16.294 8.119 1.00 44.01 O ATOM 2608 OE2 GLU B 831 8.889 17.547 6.350 1.00 48.95 O ATOM 0 H GLU B 831 8.611 20.212 11.146 1.00 20.70 H new ATOM 0 HA GLU B 831 6.479 19.892 9.997 1.00 22.76 H new ATOM 0 HB2 GLU B 831 8.646 19.317 9.059 1.00 26.14 H new ATOM 0 HB3 GLU B 831 8.653 18.001 9.897 1.00 26.14 H new ATOM 0 HG2 GLU B 831 6.835 17.229 8.560 1.00 38.13 H new ATOM 0 HG3 GLU B 831 7.032 18.486 7.658 1.00 38.13 H new ATOM 2609 N GLY B 832 6.488 17.389 11.846 1.00 20.56 N ATOM 2610 CA GLY B 832 5.625 16.318 12.240 1.00 19.82 C ATOM 2611 C GLY B 832 4.358 16.811 12.929 1.00 16.66 C ATOM 2612 O GLY B 832 3.327 16.173 12.780 1.00 20.31 O ATOM 0 H GLY B 832 7.241 17.425 12.259 1.00 20.56 H new ATOM 0 HA2 GLY B 832 5.383 15.798 11.458 1.00 19.82 H new ATOM 0 HA3 GLY B 832 6.104 15.724 12.838 1.00 19.82 H new ATOM 2613 N PHE B 833 4.539 17.835 13.775 1.00 20.74 N ATOM 2614 CA PHE B 833 3.410 18.442 14.487 1.00 18.69 C ATOM 2615 C PHE B 833 2.466 19.123 13.465 1.00 19.36 C ATOM 2616 O PHE B 833 1.267 18.848 13.471 1.00 20.28 O ATOM 2617 CB PHE B 833 3.949 19.399 15.521 1.00 20.47 C ATOM 2618 CG PHE B 833 2.919 20.310 16.078 1.00 19.45 C ATOM 2619 CD1 PHE B 833 2.061 19.894 17.038 1.00 18.21 C ATOM 2620 CD2 PHE B 833 2.841 21.614 15.610 1.00 21.63 C ATOM 2621 CE1 PHE B 833 1.032 20.766 17.498 1.00 20.52 C ATOM 2622 CE2 PHE B 833 1.801 22.456 16.068 1.00 21.80 C ATOM 2623 CZ PHE B 833 0.990 22.033 17.054 1.00 21.02 C ATOM 0 H PHE B 833 5.303 18.189 13.948 1.00 20.74 H new ATOM 0 HA PHE B 833 2.885 17.773 14.953 1.00 18.69 H new ATOM 0 HB2 PHE B 833 4.347 18.891 16.245 1.00 20.47 H new ATOM 0 HB3 PHE B 833 4.658 19.928 15.123 1.00 20.47 H new ATOM 0 HD1 PHE B 833 2.143 19.040 17.397 1.00 18.21 H new ATOM 0 HD2 PHE B 833 3.467 21.932 15.000 1.00 21.63 H new ATOM 0 HE1 PHE B 833 0.394 20.460 18.101 1.00 20.52 H new ATOM 0 HE2 PHE B 833 1.679 23.297 15.690 1.00 21.80 H new ATOM 0 HZ PHE B 833 0.388 22.630 17.436 1.00 21.02 H new ATOM 2624 N VAL B 834 3.040 19.877 12.590 1.00 19.36 N ATOM 2625 CA VAL B 834 2.227 20.624 11.589 1.00 20.25 C ATOM 2626 C VAL B 834 1.518 19.629 10.707 1.00 21.88 C ATOM 2627 O VAL B 834 0.317 19.783 10.360 1.00 22.16 O ATOM 2628 CB VAL B 834 3.062 21.651 10.863 1.00 19.69 C ATOM 2629 CG1 VAL B 834 2.295 22.232 9.654 1.00 22.70 C ATOM 2630 CG2 VAL B 834 3.498 22.763 11.779 1.00 19.98 C ATOM 0 H VAL B 834 3.890 19.994 12.528 1.00 19.36 H new ATOM 0 HA VAL B 834 1.538 21.152 12.022 1.00 20.25 H new ATOM 0 HB VAL B 834 3.857 21.197 10.542 1.00 19.69 H new ATOM 0 HG11 VAL B 834 2.850 22.888 9.204 1.00 22.70 H new ATOM 0 HG12 VAL B 834 2.075 21.517 9.036 1.00 22.70 H new ATOM 0 HG13 VAL B 834 1.479 22.656 9.962 1.00 22.70 H new ATOM 0 HG21 VAL B 834 4.031 23.403 11.281 1.00 19.98 H new ATOM 0 HG22 VAL B 834 2.717 23.208 12.143 1.00 19.98 H new ATOM 0 HG23 VAL B 834 4.028 22.396 12.504 1.00 19.98 H new ATOM 2631 N GLN B 835 2.173 18.525 10.315 1.00 22.34 N ATOM 2632 CA GLN B 835 1.495 17.559 9.502 1.00 24.15 C ATOM 2633 C GLN B 835 0.275 16.929 10.144 1.00 24.67 C ATOM 2634 O GLN B 835 -0.768 16.720 9.508 1.00 22.72 O ATOM 2635 CB GLN B 835 2.457 16.474 9.038 1.00 28.41 C ATOM 2636 CG GLN B 835 3.354 17.008 7.974 1.00 32.35 C ATOM 2637 CD GLN B 835 4.475 16.072 7.538 1.00 39.34 C ATOM 2638 OE1 GLN B 835 4.712 15.020 8.120 1.00 42.00 O ATOM 2639 NE2 GLN B 835 5.168 16.480 6.460 1.00 44.85 N ATOM 0 H GLN B 835 2.989 18.336 10.512 1.00 22.34 H new ATOM 0 HA GLN B 835 1.163 18.062 8.742 1.00 24.15 H new ATOM 0 HB2 GLN B 835 2.985 16.157 9.788 1.00 28.41 H new ATOM 0 HB3 GLN B 835 1.959 15.713 8.700 1.00 28.41 H new ATOM 0 HG2 GLN B 835 2.816 17.228 7.198 1.00 32.35 H new ATOM 0 HG3 GLN B 835 3.748 17.836 8.289 1.00 32.35 H new ATOM 0 HE21 GLN B 835 4.971 17.225 6.079 1.00 44.85 H new ATOM 0 HE22 GLN B 835 5.808 15.995 6.152 1.00 44.85 H new ATOM 2640 N ASP B 836 0.368 16.625 11.421 1.00 20.66 N ATOM 2641 CA ASP B 836 -0.712 15.951 12.119 1.00 19.20 C ATOM 2642 C ASP B 836 -1.857 17.022 12.253 1.00 17.59 C ATOM 2643 O ASP B 836 -2.980 16.611 12.147 1.00 18.45 O ATOM 2644 CB ASP B 836 -0.212 15.473 13.468 1.00 21.75 C ATOM 2645 CG ASP B 836 0.340 14.047 13.431 1.00 26.63 C ATOM 2646 OD1 ASP B 836 0.252 13.424 12.359 1.00 24.81 O ATOM 2647 OD2 ASP B 836 0.741 13.511 14.509 1.00 24.66 O ATOM 0 H ASP B 836 1.054 16.801 11.909 1.00 20.66 H new ATOM 0 HA ASP B 836 -1.039 15.167 11.652 1.00 19.20 H new ATOM 0 HB2 ASP B 836 0.481 16.075 13.782 1.00 21.75 H new ATOM 0 HB3 ASP B 836 -0.938 15.517 14.110 1.00 21.75 H new ATOM 2648 N MET B 837 -1.482 18.228 12.520 1.00 17.02 N ATOM 2649 CA MET B 837 -2.568 19.294 12.715 1.00 20.14 C ATOM 2650 C MET B 837 -3.344 19.496 11.403 1.00 22.86 C ATOM 2651 O MET B 837 -4.615 19.478 11.379 1.00 22.20 O ATOM 2652 CB MET B 837 -2.039 20.595 13.184 1.00 19.37 C ATOM 2653 CG MET B 837 -1.470 20.573 14.594 1.00 21.04 C ATOM 2654 SD MET B 837 -2.736 20.342 15.865 1.00 19.92 S ATOM 2655 CE MET B 837 -3.500 22.015 15.871 1.00 20.73 C ATOM 0 H MET B 837 -0.669 18.496 12.600 1.00 17.02 H new ATOM 0 HA MET B 837 -3.156 18.963 13.412 1.00 20.14 H new ATOM 0 HB2 MET B 837 -1.346 20.889 12.572 1.00 19.37 H new ATOM 0 HB3 MET B 837 -2.750 21.254 13.145 1.00 19.37 H new ATOM 0 HG2 MET B 837 -0.817 19.859 14.662 1.00 21.04 H new ATOM 0 HG3 MET B 837 -1.000 21.405 14.761 1.00 21.04 H new ATOM 0 HE1 MET B 837 -4.116 22.087 16.617 1.00 20.73 H new ATOM 0 HE2 MET B 837 -2.806 22.687 15.959 1.00 20.73 H new ATOM 0 HE3 MET B 837 -3.981 22.154 15.040 1.00 20.73 H new ATOM 2656 N ARG B 838 -2.606 19.542 10.299 1.00 19.67 N ATOM 2657 CA ARG B 838 -3.283 19.638 8.971 1.00 22.11 C ATOM 2658 C ARG B 838 -4.115 18.427 8.590 1.00 22.51 C ATOM 2659 O ARG B 838 -5.202 18.570 7.913 1.00 23.17 O ATOM 2660 CB ARG B 838 -2.227 19.987 7.876 1.00 23.34 C ATOM 2661 CG ARG B 838 -1.635 21.348 8.097 1.00 22.90 C ATOM 2662 CD ARG B 838 -0.529 21.761 7.119 1.00 24.31 C ATOM 2663 NE ARG B 838 -0.247 23.177 7.181 1.00 23.23 N ATOM 2664 CZ ARG B 838 0.852 23.786 6.693 1.00 27.96 C ATOM 2665 NH1 ARG B 838 1.841 23.074 6.111 1.00 29.52 N ATOM 2666 NH2 ARG B 838 1.027 25.065 6.807 1.00 29.33 N ATOM 0 H ARG B 838 -1.747 19.521 10.276 1.00 19.67 H new ATOM 0 HA ARG B 838 -3.934 20.353 9.042 1.00 22.11 H new ATOM 0 HB2 ARG B 838 -1.522 19.321 7.881 1.00 23.34 H new ATOM 0 HB3 ARG B 838 -2.643 19.952 7.001 1.00 23.34 H new ATOM 0 HG2 ARG B 838 -2.348 22.004 8.049 1.00 22.90 H new ATOM 0 HG3 ARG B 838 -1.277 21.384 8.998 1.00 22.90 H new ATOM 0 HD2 ARG B 838 0.279 21.263 7.318 1.00 24.31 H new ATOM 0 HD3 ARG B 838 -0.793 21.525 6.216 1.00 24.31 H new ATOM 0 HE ARG B 838 -0.833 23.676 7.564 1.00 23.23 H new ATOM 0 HH11 ARG B 838 1.775 22.219 6.047 1.00 29.52 H new ATOM 0 HH12 ARG B 838 2.537 23.476 5.804 1.00 29.52 H new ATOM 0 HH21 ARG B 838 0.434 25.547 7.202 1.00 29.33 H new ATOM 0 HH22 ARG B 838 1.736 25.432 6.488 1.00 29.33 H new ATOM 2667 N LEU B 839 -3.685 17.254 9.022 1.00 21.88 N ATOM 2668 CA LEU B 839 -4.372 16.022 8.770 1.00 21.25 C ATOM 2669 C LEU B 839 -5.788 16.039 9.381 1.00 23.10 C ATOM 2670 O LEU B 839 -6.760 15.459 8.810 1.00 23.71 O ATOM 2671 CB LEU B 839 -3.539 14.853 9.233 1.00 22.07 C ATOM 2672 CG LEU B 839 -4.127 13.508 9.131 1.00 25.44 C ATOM 2673 CD1 LEU B 839 -4.423 13.102 7.673 1.00 29.21 C ATOM 2674 CD2 LEU B 839 -3.140 12.539 9.828 1.00 27.49 C ATOM 0 H LEU B 839 -2.965 17.159 9.482 1.00 21.88 H new ATOM 0 HA LEU B 839 -4.496 15.918 7.814 1.00 21.25 H new ATOM 0 HB2 LEU B 839 -2.713 14.856 8.725 1.00 22.07 H new ATOM 0 HB3 LEU B 839 -3.302 15.005 10.161 1.00 22.07 H new ATOM 0 HG LEU B 839 -4.993 13.482 9.568 1.00 25.44 H new ATOM 0 HD11 LEU B 839 -4.808 12.212 7.657 1.00 29.21 H new ATOM 0 HD12 LEU B 839 -5.049 13.732 7.282 1.00 29.21 H new ATOM 0 HD13 LEU B 839 -3.599 13.107 7.162 1.00 29.21 H new ATOM 0 HD21 LEU B 839 -3.489 11.635 9.785 1.00 27.49 H new ATOM 0 HD22 LEU B 839 -2.280 12.575 9.380 1.00 27.49 H new ATOM 0 HD23 LEU B 839 -3.032 12.799 10.756 1.00 27.49 H new ATOM 2675 N ILE B 840 -5.908 16.653 10.566 1.00 20.60 N ATOM 2676 CA ILE B 840 -7.227 16.723 11.216 1.00 21.62 C ATOM 2677 C ILE B 840 -8.250 17.375 10.258 1.00 21.08 C ATOM 2678 O ILE B 840 -9.343 16.882 10.127 1.00 21.01 O ATOM 2679 CB ILE B 840 -7.080 17.582 12.499 1.00 21.40 C ATOM 2680 CG1 ILE B 840 -6.329 16.804 13.530 1.00 18.97 C ATOM 2681 CG2 ILE B 840 -8.438 17.963 13.044 1.00 23.44 C ATOM 2682 CD1 ILE B 840 -6.022 17.559 14.812 1.00 19.23 C ATOM 0 H ILE B 840 -5.263 17.023 10.998 1.00 20.60 H new ATOM 0 HA ILE B 840 -7.542 15.834 11.440 1.00 21.62 H new ATOM 0 HB ILE B 840 -6.596 18.393 12.279 1.00 21.40 H new ATOM 0 HG12 ILE B 840 -6.841 16.011 13.753 1.00 18.97 H new ATOM 0 HG13 ILE B 840 -5.493 16.502 13.141 1.00 18.97 H new ATOM 0 HG21 ILE B 840 -8.327 18.499 13.845 1.00 23.44 H new ATOM 0 HG22 ILE B 840 -8.922 18.475 12.378 1.00 23.44 H new ATOM 0 HG23 ILE B 840 -8.937 17.160 13.260 1.00 23.44 H new ATOM 0 HD11 ILE B 840 -5.536 16.980 15.420 1.00 19.23 H new ATOM 0 HD12 ILE B 840 -5.483 18.339 14.607 1.00 19.23 H new ATOM 0 HD13 ILE B 840 -6.852 17.841 15.229 1.00 19.23 H new ATOM 2683 N PHE B 841 -7.836 18.485 9.712 1.00 20.95 N ATOM 2684 CA PHE B 841 -8.783 19.297 8.882 1.00 24.20 C ATOM 2685 C PHE B 841 -8.963 18.652 7.521 1.00 27.69 C ATOM 2686 O PHE B 841 -10.069 18.643 6.956 1.00 24.88 O ATOM 2687 CB PHE B 841 -8.303 20.728 8.838 1.00 23.85 C ATOM 2688 CG PHE B 841 -8.028 21.286 10.229 1.00 26.33 C ATOM 2689 CD1 PHE B 841 -9.060 21.379 11.180 1.00 27.58 C ATOM 2690 CD2 PHE B 841 -6.747 21.702 10.583 1.00 26.37 C ATOM 2691 CE1 PHE B 841 -8.812 21.824 12.450 1.00 27.65 C ATOM 2692 CE2 PHE B 841 -6.502 22.166 11.874 1.00 27.99 C ATOM 2693 CZ PHE B 841 -7.548 22.245 12.792 1.00 29.59 C ATOM 0 H PHE B 841 -7.042 18.806 9.787 1.00 20.95 H new ATOM 0 HA PHE B 841 -9.668 19.318 9.279 1.00 24.20 H new ATOM 0 HB2 PHE B 841 -7.494 20.780 8.305 1.00 23.85 H new ATOM 0 HB3 PHE B 841 -8.969 21.278 8.397 1.00 23.85 H new ATOM 0 HD1 PHE B 841 -9.925 21.134 10.942 1.00 27.58 H new ATOM 0 HD2 PHE B 841 -6.057 21.670 9.960 1.00 26.37 H new ATOM 0 HE1 PHE B 841 -9.496 21.842 13.080 1.00 27.65 H new ATOM 0 HE2 PHE B 841 -5.643 22.422 12.122 1.00 27.99 H new ATOM 0 HZ PHE B 841 -7.390 22.585 13.643 1.00 29.59 H new ATOM 2694 N HIS B 842 -7.918 18.002 7.033 1.00 26.69 N ATOM 2695 CA HIS B 842 -8.067 17.169 5.798 1.00 27.29 C ATOM 2696 C HIS B 842 -9.069 16.088 5.872 1.00 27.30 C ATOM 2697 O HIS B 842 -9.975 15.916 5.031 1.00 25.94 O ATOM 2698 CB HIS B 842 -6.700 16.606 5.394 1.00 30.05 C ATOM 2699 CG HIS B 842 -6.772 15.644 4.248 1.00 32.29 C ATOM 2700 ND1 HIS B 842 -6.771 16.089 2.947 1.00 36.28 N ATOM 2701 CD2 HIS B 842 -6.904 14.290 4.195 1.00 36.20 C ATOM 2702 CE1 HIS B 842 -6.874 15.066 2.130 1.00 36.50 C ATOM 2703 NE2 HIS B 842 -6.956 13.959 2.852 1.00 40.54 N ATOM 0 H HIS B 842 -7.129 18.014 7.374 1.00 26.69 H new ATOM 0 HA HIS B 842 -8.413 17.771 5.121 1.00 27.29 H new ATOM 0 HB2 HIS B 842 -6.112 17.340 5.156 1.00 30.05 H new ATOM 0 HB3 HIS B 842 -6.302 16.160 6.158 1.00 30.05 H new ATOM 0 HD2 HIS B 842 -6.950 13.705 4.916 1.00 36.20 H new ATOM 0 HE1 HIS B 842 -6.887 15.111 1.201 1.00 36.50 H new ATOM 0 HE2 HIS B 842 -7.030 13.162 2.537 1.00 40.54 H new ATOM 2704 N ASN B 843 -8.994 15.297 6.915 1.00 21.92 N ATOM 2705 CA ASN B 843 -9.887 14.235 7.101 1.00 22.60 C ATOM 2706 C ASN B 843 -11.361 14.733 7.172 1.00 25.44 C ATOM 2707 O ASN B 843 -12.260 14.008 6.776 1.00 27.01 O ATOM 2708 CB ASN B 843 -9.514 13.425 8.345 1.00 24.14 C ATOM 2709 CG ASN B 843 -8.277 12.555 8.139 1.00 29.48 C ATOM 2710 OD1 ASN B 843 -7.891 12.256 7.003 1.00 29.25 O ATOM 2711 ND2 ASN B 843 -7.724 12.079 9.223 1.00 26.41 N ATOM 0 H ASN B 843 -8.405 15.378 7.537 1.00 21.92 H new ATOM 0 HA ASN B 843 -9.818 13.651 6.330 1.00 22.60 H new ATOM 0 HB2 ASN B 843 -9.357 14.032 9.085 1.00 24.14 H new ATOM 0 HB3 ASN B 843 -10.263 12.861 8.594 1.00 24.14 H new ATOM 0 HD21 ASN B 843 -7.062 11.533 9.164 1.00 26.41 H new ATOM 0 HD22 ASN B 843 -8.022 12.312 9.995 1.00 26.41 H new ATOM 2712 N HIS B 844 -11.544 15.840 7.916 1.00 23.16 N ATOM 2713 CA HIS B 844 -12.888 16.400 8.191 1.00 23.40 C ATOM 2714 C HIS B 844 -13.531 16.746 6.799 1.00 24.67 C ATOM 2715 O HIS B 844 -14.674 16.436 6.580 1.00 26.31 O ATOM 2716 CB HIS B 844 -12.743 17.671 8.973 1.00 24.23 C ATOM 2717 CG HIS B 844 -14.028 18.344 9.270 1.00 21.85 C ATOM 2718 ND1 HIS B 844 -14.839 17.967 10.316 1.00 23.95 N ATOM 2719 CD2 HIS B 844 -14.639 19.375 8.647 1.00 24.49 C ATOM 2720 CE1 HIS B 844 -15.899 18.748 10.342 1.00 25.90 C ATOM 2721 NE2 HIS B 844 -15.834 19.569 9.310 1.00 23.85 N ATOM 0 H HIS B 844 -10.900 16.284 8.273 1.00 23.16 H new ATOM 0 HA HIS B 844 -13.430 15.771 8.692 1.00 23.40 H new ATOM 0 HB2 HIS B 844 -12.290 17.476 9.808 1.00 24.23 H new ATOM 0 HB3 HIS B 844 -12.175 18.282 8.478 1.00 24.23 H new ATOM 0 HD2 HIS B 844 -14.319 19.857 7.919 1.00 24.49 H new ATOM 0 HE1 HIS B 844 -16.577 18.725 10.978 1.00 25.90 H new ATOM 0 HE2 HIS B 844 -16.441 20.136 9.086 1.00 23.85 H new ATOM 2722 N LYS B 845 -12.765 17.391 5.968 1.00 25.95 N ATOM 2723 CA LYS B 845 -13.222 17.813 4.587 1.00 30.44 C ATOM 2724 C LYS B 845 -13.511 16.582 3.759 1.00 31.43 C ATOM 2725 O LYS B 845 -14.569 16.502 3.159 1.00 28.77 O ATOM 2726 CB LYS B 845 -12.161 18.669 3.939 1.00 39.01 C ATOM 2727 CG LYS B 845 -12.430 18.991 2.465 1.00 57.22 C ATOM 2728 CD LYS B 845 -11.346 19.838 1.777 1.00 60.80 C ATOM 2729 CE LYS B 845 -9.935 19.258 1.921 1.00 67.12 C ATOM 2730 NZ LYS B 845 -9.789 17.787 1.675 1.00 68.60 N ATOM 0 H LYS B 845 -11.955 17.617 6.150 1.00 25.95 H new ATOM 0 HA LYS B 845 -14.035 18.338 4.652 1.00 30.44 H new ATOM 0 HB2 LYS B 845 -12.084 19.500 4.433 1.00 39.01 H new ATOM 0 HB3 LYS B 845 -11.306 18.216 4.010 1.00 39.01 H new ATOM 0 HG2 LYS B 845 -12.528 18.158 1.978 1.00 57.22 H new ATOM 0 HG3 LYS B 845 -13.277 19.459 2.399 1.00 57.22 H new ATOM 0 HD2 LYS B 845 -11.560 19.920 0.834 1.00 60.80 H new ATOM 0 HD3 LYS B 845 -11.360 20.733 2.150 1.00 60.80 H new ATOM 0 HE2 LYS B 845 -9.349 19.728 1.307 1.00 67.12 H new ATOM 0 HE3 LYS B 845 -9.618 19.449 2.818 1.00 67.12 H new ATOM 0 HZ1 LYS B 845 -8.981 17.620 1.342 1.00 68.60 H new ATOM 0 HZ2 LYS B 845 -9.890 17.346 2.441 1.00 68.60 H new ATOM 0 HZ3 LYS B 845 -10.409 17.520 1.095 1.00 68.60 H new ATOM 2731 N GLU B 846 -12.668 15.549 3.796 1.00 29.00 N ATOM 2732 CA GLU B 846 -12.915 14.317 3.050 1.00 29.13 C ATOM 2733 C GLU B 846 -14.083 13.516 3.488 1.00 31.68 C ATOM 2734 O GLU B 846 -14.673 12.753 2.693 1.00 33.61 O ATOM 2735 CB GLU B 846 -11.676 13.385 3.038 1.00 32.87 C ATOM 2736 CG GLU B 846 -10.494 13.927 2.292 1.00 38.70 C ATOM 2737 CD GLU B 846 -10.771 14.198 0.822 1.00 50.39 C ATOM 2738 OE1 GLU B 846 -11.351 13.308 0.162 1.00 41.79 O ATOM 2739 OE2 GLU B 846 -10.468 15.324 0.349 1.00 53.29 O ATOM 0 H GLU B 846 -11.940 15.544 4.253 1.00 29.00 H new ATOM 0 HA GLU B 846 -13.116 14.649 2.161 1.00 29.13 H new ATOM 0 HB2 GLU B 846 -11.411 13.207 3.954 1.00 32.87 H new ATOM 0 HB3 GLU B 846 -11.929 12.535 2.645 1.00 32.87 H new ATOM 0 HG2 GLU B 846 -10.204 14.750 2.715 1.00 38.70 H new ATOM 0 HG3 GLU B 846 -9.760 13.297 2.364 1.00 38.70 H new ATOM 2740 N PHE B 847 -14.510 13.657 4.744 1.00 25.63 N ATOM 2741 CA PHE B 847 -15.605 12.912 5.187 1.00 23.50 C ATOM 2742 C PHE B 847 -16.950 13.660 4.904 1.00 25.44 C ATOM 2743 O PHE B 847 -17.931 13.041 4.609 1.00 26.84 O ATOM 2744 CB PHE B 847 -15.499 12.595 6.727 1.00 24.02 C ATOM 2745 CG PHE B 847 -16.602 11.778 7.262 1.00 23.47 C ATOM 2746 CD1 PHE B 847 -16.634 10.418 7.077 1.00 25.86 C ATOM 2747 CD2 PHE B 847 -17.607 12.323 8.041 1.00 26.21 C ATOM 2748 CE1 PHE B 847 -17.615 9.626 7.579 1.00 25.94 C ATOM 2749 CE2 PHE B 847 -18.620 11.538 8.538 1.00 28.77 C ATOM 2750 CZ PHE B 847 -18.649 10.168 8.307 1.00 28.95 C ATOM 0 H PHE B 847 -14.161 14.183 5.328 1.00 25.63 H new ATOM 0 HA PHE B 847 -15.597 12.077 4.693 1.00 23.50 H new ATOM 0 HB2 PHE B 847 -14.661 12.135 6.894 1.00 24.02 H new ATOM 0 HB3 PHE B 847 -15.465 13.432 7.216 1.00 24.02 H new ATOM 0 HD1 PHE B 847 -15.952 10.021 6.585 1.00 25.86 H new ATOM 0 HD2 PHE B 847 -17.597 13.233 8.231 1.00 26.21 H new ATOM 0 HE1 PHE B 847 -17.588 8.708 7.430 1.00 25.94 H new ATOM 0 HE2 PHE B 847 -19.299 11.931 9.038 1.00 28.77 H new ATOM 0 HZ PHE B 847 -19.341 9.638 8.632 1.00 28.95 H new ATOM 2751 N TYR B 848 -16.970 14.913 5.290 1.00 27.10 N ATOM 2752 CA TYR B 848 -18.223 15.710 5.204 1.00 28.89 C ATOM 2753 C TYR B 848 -18.480 16.215 3.793 1.00 29.44 C ATOM 2754 O TYR B 848 -19.680 16.432 3.469 1.00 28.35 O ATOM 2755 CB TYR B 848 -18.239 16.839 6.239 1.00 24.36 C ATOM 2756 CG TYR B 848 -18.446 16.262 7.627 1.00 23.33 C ATOM 2757 CD1 TYR B 848 -19.646 15.627 8.024 1.00 22.82 C ATOM 2758 CD2 TYR B 848 -17.402 16.240 8.548 1.00 25.77 C ATOM 2759 CE1 TYR B 848 -19.835 15.045 9.260 1.00 24.26 C ATOM 2760 CE2 TYR B 848 -17.598 15.653 9.795 1.00 24.39 C ATOM 2761 CZ TYR B 848 -18.785 15.099 10.184 1.00 23.94 C ATOM 2762 OH TYR B 848 -19.056 14.507 11.408 1.00 27.05 O ATOM 0 H TYR B 848 -16.291 15.337 5.604 1.00 27.10 H new ATOM 0 HA TYR B 848 -18.960 15.117 5.420 1.00 28.89 H new ATOM 0 HB2 TYR B 848 -17.404 17.331 6.206 1.00 24.36 H new ATOM 0 HB3 TYR B 848 -18.948 17.468 6.032 1.00 24.36 H new ATOM 0 HD1 TYR B 848 -20.349 15.600 7.416 1.00 22.82 H new ATOM 0 HD2 TYR B 848 -16.579 16.615 8.331 1.00 25.77 H new ATOM 0 HE1 TYR B 848 -20.638 14.628 9.474 1.00 24.26 H new ATOM 0 HE2 TYR B 848 -16.886 15.637 10.393 1.00 24.39 H new ATOM 0 HH TYR B 848 -19.602 13.878 11.300 1.00 27.05 H new ATOM 2763 N ARG B 849 -17.440 16.335 2.953 1.00 31.38 N ATOM 2764 CA ARG B 849 -17.565 16.602 1.486 1.00 32.36 C ATOM 2765 C ARG B 849 -18.526 17.752 1.235 1.00 37.32 C ATOM 2766 O ARG B 849 -18.197 18.863 1.636 1.00 40.01 O ATOM 2767 CB ARG B 849 -17.851 15.321 0.706 1.00 34.15 C ATOM 2768 CG ARG B 849 -16.914 14.170 1.132 1.00 36.02 C ATOM 2769 CD ARG B 849 -16.925 12.907 0.269 1.00 40.55 C ATOM 2770 NE ARG B 849 -16.201 13.157 -0.951 1.00 37.80 N ATOM 2771 CZ ARG B 849 -14.874 13.197 -1.111 1.00 45.93 C ATOM 2772 NH1 ARG B 849 -13.996 12.950 -0.108 1.00 36.89 N ATOM 2773 NH2 ARG B 849 -14.400 13.508 -2.315 1.00 40.36 N ATOM 0 H ARG B 849 -16.624 16.264 3.215 1.00 31.38 H new ATOM 0 HA ARG B 849 -16.713 16.904 1.134 1.00 32.36 H new ATOM 0 HB2 ARG B 849 -18.774 15.056 0.846 1.00 34.15 H new ATOM 0 HB3 ARG B 849 -17.745 15.490 -0.243 1.00 34.15 H new ATOM 0 HG2 ARG B 849 -16.007 14.512 1.153 1.00 36.02 H new ATOM 0 HG3 ARG B 849 -17.142 13.916 2.040 1.00 36.02 H new ATOM 0 HD2 ARG B 849 -16.521 12.169 0.752 1.00 40.55 H new ATOM 0 HD3 ARG B 849 -17.838 12.648 0.068 1.00 40.55 H new ATOM 0 HE ARG B 849 -16.675 13.296 -1.655 1.00 37.80 H new ATOM 0 HH11 ARG B 849 -14.285 12.756 0.678 1.00 36.89 H new ATOM 0 HH12 ARG B 849 -13.150 12.987 -0.258 1.00 36.89 H new ATOM 0 HH21 ARG B 849 -14.943 13.676 -2.961 1.00 40.36 H new ATOM 0 HH22 ARG B 849 -13.551 13.541 -2.447 1.00 40.36 H new ATOM 2774 N GLU B 850 -19.695 17.502 0.640 1.00 39.64 N ATOM 2775 CA AGLU B 850 -20.621 18.581 0.248 0.44 41.10 C ATOM 2776 CA BGLU B 850 -20.599 18.592 0.241 0.56 43.37 C ATOM 2777 C GLU B 850 -21.409 19.185 1.396 1.00 42.39 C ATOM 2778 O GLU B 850 -21.959 20.278 1.248 1.00 38.77 O ATOM 2779 CB AGLU B 850 -21.631 18.095 -0.818 0.44 42.66 C ATOM 2780 CB BGLU B 850 -21.562 18.144 -0.895 0.56 48.08 C ATOM 2781 CG AGLU B 850 -21.291 18.567 -2.205 0.44 43.23 C ATOM 2782 CG BGLU B 850 -22.665 17.147 -0.510 0.56 51.43 C ATOM 2783 CD AGLU B 850 -19.862 18.303 -2.545 0.44 45.43 C ATOM 2784 CD BGLU B 850 -22.195 15.706 -0.558 0.56 58.22 C ATOM 2785 OE1AGLU B 850 -19.084 19.278 -2.648 0.44 49.39 O ATOM 2786 OE1BGLU B 850 -22.530 15.000 -1.534 0.56 65.62 O ATOM 2787 OE2AGLU B 850 -19.523 17.113 -2.689 0.44 47.47 O ATOM 2788 OE2BGLU B 850 -21.472 15.288 0.373 0.56 56.02 O ATOM 0 H AGLU B 850 -19.975 16.711 0.452 0.44 39.64 H new ATOM 0 H BGLU B 850 -19.984 16.713 0.458 0.56 39.64 H new ATOM 0 HA AGLU B 850 -20.040 19.272 -0.107 0.44 43.37 H new ATOM 0 HA BGLU B 850 -20.014 19.295 -0.083 0.56 43.37 H new ATOM 0 HB2AGLU B 850 -21.661 17.126 -0.810 0.44 48.08 H new ATOM 0 HB2BGLU B 850 -21.984 18.936 -1.264 0.56 48.08 H new ATOM 0 HB3AGLU B 850 -22.518 18.409 -0.583 0.44 48.08 H new ATOM 0 HB3BGLU B 850 -21.031 17.749 -1.604 0.56 48.08 H new ATOM 0 HG2AGLU B 850 -21.864 18.121 -2.848 0.44 51.43 H new ATOM 0 HG2BGLU B 850 -22.982 17.350 0.384 0.56 51.43 H new ATOM 0 HG3AGLU B 850 -21.470 19.518 -2.276 0.44 51.43 H new ATOM 0 HG3BGLU B 850 -23.419 17.257 -1.110 0.56 51.43 H new ATOM 2789 N ASP B 851 -21.497 18.468 2.522 1.00 37.08 N ATOM 2790 CA ASP B 851 -22.265 18.970 3.654 1.00 34.45 C ATOM 2791 C ASP B 851 -21.672 20.250 4.165 1.00 31.65 C ATOM 2792 O ASP B 851 -20.456 20.436 4.197 1.00 35.06 O ATOM 2793 CB ASP B 851 -22.340 17.921 4.756 1.00 41.45 C ATOM 2794 CG ASP B 851 -23.393 18.255 5.860 1.00 40.48 C ATOM 2795 OD1 ASP B 851 -23.260 19.250 6.630 1.00 32.32 O ATOM 2796 OD2 ASP B 851 -24.320 17.429 6.001 1.00 39.45 O ATOM 0 H ASP B 851 -21.125 17.703 2.645 1.00 37.08 H new ATOM 0 HA ASP B 851 -23.169 19.156 3.357 1.00 34.45 H new ATOM 0 HB2 ASP B 851 -22.557 17.062 4.361 1.00 41.45 H new ATOM 0 HB3 ASP B 851 -21.466 17.832 5.168 1.00 41.45 H new ATOM 2797 N LYS B 852 -22.521 21.192 4.559 1.00 27.90 N ATOM 2798 CA LYS B 852 -22.052 22.491 5.021 1.00 27.60 C ATOM 2799 C LYS B 852 -21.163 22.462 6.292 1.00 26.49 C ATOM 2800 O LYS B 852 -20.443 23.449 6.577 1.00 28.05 O ATOM 2801 CB LYS B 852 -23.239 23.454 5.264 1.00 32.94 C ATOM 2802 CG LYS B 852 -24.251 22.873 6.235 1.00 36.63 C ATOM 2803 CD LYS B 852 -25.453 23.805 6.434 1.00 39.74 C ATOM 2804 CE LYS B 852 -26.361 23.253 7.534 1.00 43.08 C ATOM 2805 NZ LYS B 852 -27.617 24.038 7.650 1.00 37.82 N ATOM 0 H LYS B 852 -23.376 21.098 4.566 1.00 27.90 H new ATOM 0 HA LYS B 852 -21.487 22.807 4.299 1.00 27.60 H new ATOM 0 HB2 LYS B 852 -22.906 24.296 5.611 1.00 32.94 H new ATOM 0 HB3 LYS B 852 -23.676 23.648 4.420 1.00 32.94 H new ATOM 0 HG2 LYS B 852 -24.559 22.014 5.905 1.00 36.63 H new ATOM 0 HG3 LYS B 852 -23.822 22.711 7.090 1.00 36.63 H new ATOM 0 HD2 LYS B 852 -25.147 24.694 6.672 1.00 39.74 H new ATOM 0 HD3 LYS B 852 -25.949 23.888 5.605 1.00 39.74 H new ATOM 0 HE2 LYS B 852 -26.574 22.326 7.344 1.00 43.08 H new ATOM 0 HE3 LYS B 852 -25.890 23.268 8.382 1.00 43.08 H new ATOM 0 HZ1 LYS B 852 -28.124 23.694 8.296 1.00 37.82 H new ATOM 0 HZ2 LYS B 852 -27.422 24.884 7.845 1.00 37.82 H new ATOM 0 HZ3 LYS B 852 -28.059 24.006 6.878 1.00 37.82 H new ATOM 2806 N PHE B 853 -21.287 21.346 6.996 1.00 27.97 N ATOM 2807 CA PHE B 853 -20.440 21.062 8.233 1.00 25.28 C ATOM 2808 C PHE B 853 -18.969 21.067 7.862 1.00 27.47 C ATOM 2809 O PHE B 853 -18.155 21.411 8.693 1.00 23.07 O ATOM 2810 CB PHE B 853 -20.908 19.809 8.938 1.00 26.81 C ATOM 2811 CG PHE B 853 -20.337 19.631 10.338 1.00 23.55 C ATOM 2812 CD1 PHE B 853 -20.654 20.515 11.342 1.00 27.00 C ATOM 2813 CD2 PHE B 853 -19.532 18.573 10.644 1.00 25.37 C ATOM 2814 CE1 PHE B 853 -20.139 20.352 12.614 1.00 26.57 C ATOM 2815 CE2 PHE B 853 -19.047 18.369 11.924 1.00 25.27 C ATOM 2816 CZ PHE B 853 -19.333 19.300 12.905 1.00 23.85 C ATOM 0 H PHE B 853 -21.845 20.721 6.802 1.00 27.97 H new ATOM 0 HA PHE B 853 -20.556 21.770 8.885 1.00 25.28 H new ATOM 0 HB2 PHE B 853 -21.876 19.824 8.994 1.00 26.81 H new ATOM 0 HB3 PHE B 853 -20.667 19.038 8.401 1.00 26.81 H new ATOM 0 HD1 PHE B 853 -21.221 21.230 11.163 1.00 27.00 H new ATOM 0 HD2 PHE B 853 -19.302 17.971 9.973 1.00 25.37 H new ATOM 0 HE1 PHE B 853 -20.347 20.970 13.277 1.00 26.57 H new ATOM 0 HE2 PHE B 853 -18.536 17.617 12.121 1.00 25.27 H new ATOM 0 HZ PHE B 853 -18.976 19.206 13.758 1.00 23.85 H new ATOM 2817 N THR B 854 -18.629 20.891 6.592 1.00 28.25 N ATOM 2818 CA ATHR B 854 -17.228 21.075 6.084 0.45 29.16 C ATOM 2819 CA BTHR B 854 -17.216 21.047 6.173 0.55 27.22 C ATOM 2820 C THR B 854 -16.600 22.389 6.538 1.00 27.04 C ATOM 2821 O THR B 854 -15.399 22.469 6.804 1.00 24.64 O ATOM 2822 CB ATHR B 854 -17.146 21.025 4.519 0.45 32.44 C ATOM 2823 CB BTHR B 854 -17.010 20.765 4.665 0.55 26.60 C ATOM 2824 OG1ATHR B 854 -15.818 20.779 4.079 0.45 34.22 O ATOM 2825 OG1BTHR B 854 -17.839 21.631 3.871 0.55 33.58 O ATOM 2826 CG2ATHR B 854 -17.555 22.369 3.885 0.45 31.82 C ATOM 2827 CG2BTHR B 854 -17.345 19.438 4.397 0.55 21.21 C ATOM 0 H ATHR B 854 -19.190 20.661 5.982 0.45 28.25 H new ATOM 0 H BTHR B 854 -19.177 20.686 5.962 0.55 28.25 H new ATOM 0 HA ATHR B 854 -16.735 20.332 6.465 0.45 27.22 H new ATOM 0 HA BTHR B 854 -16.745 20.372 6.686 0.55 27.22 H new ATOM 0 HB ATHR B 854 -17.747 20.313 4.249 0.45 26.60 H new ATOM 0 HB BTHR B 854 -16.081 20.928 4.440 0.55 26.60 H new ATOM 0 HG1ATHR B 854 -15.801 20.756 3.240 0.45 33.58 H new ATOM 0 HG1BTHR B 854 -18.636 21.370 3.911 0.55 33.58 H new ATOM 0 HG21ATHR B 854 -17.493 22.304 2.919 0.45 21.21 H new ATOM 0 HG21BTHR B 854 -17.218 19.256 3.453 0.55 21.21 H new ATOM 0 HG22ATHR B 854 -18.467 22.581 4.137 0.45 21.21 H new ATOM 0 HG22BTHR B 854 -16.778 18.849 4.919 0.55 21.21 H new ATOM 0 HG23ATHR B 854 -16.962 23.069 4.200 0.45 21.21 H new ATOM 0 HG23BTHR B 854 -18.273 19.284 4.633 0.55 21.21 H new ATOM 2828 N ARG B 855 -17.412 23.457 6.581 1.00 23.57 N ATOM 2829 CA ARG B 855 -16.995 24.760 6.885 1.00 25.56 C ATOM 2830 C ARG B 855 -16.311 24.892 8.268 1.00 23.82 C ATOM 2831 O ARG B 855 -15.455 25.735 8.405 1.00 25.10 O ATOM 2832 CB ARG B 855 -18.165 25.745 6.733 1.00 28.92 C ATOM 2833 CG ARG B 855 -17.812 27.160 6.962 1.00 36.06 C ATOM 2834 CD ARG B 855 -18.989 28.050 6.489 1.00 41.40 C ATOM 2835 NE ARG B 855 -18.787 29.460 6.890 1.00 52.08 N ATOM 2836 CZ ARG B 855 -19.279 30.084 7.985 1.00 52.77 C ATOM 2837 NH1 ARG B 855 -20.080 29.479 8.907 1.00 48.48 N ATOM 2838 NH2 ARG B 855 -18.982 31.376 8.149 1.00 55.75 N ATOM 0 H ARG B 855 -18.255 23.402 6.421 1.00 23.57 H new ATOM 0 HA ARG B 855 -16.306 24.987 6.241 1.00 25.56 H new ATOM 0 HB2 ARG B 855 -18.533 25.656 5.840 1.00 28.92 H new ATOM 0 HB3 ARG B 855 -18.866 25.494 7.355 1.00 28.92 H new ATOM 0 HG2 ARG B 855 -17.632 27.313 7.903 1.00 36.06 H new ATOM 0 HG3 ARG B 855 -17.003 27.387 6.477 1.00 36.06 H new ATOM 0 HD2 ARG B 855 -19.073 27.994 5.524 1.00 41.40 H new ATOM 0 HD3 ARG B 855 -19.820 27.720 6.866 1.00 41.40 H new ATOM 0 HE ARG B 855 -18.300 29.938 6.366 1.00 52.08 H new ATOM 0 HH11 ARG B 855 -20.300 28.653 8.810 1.00 48.48 H new ATOM 0 HH12 ARG B 855 -20.366 29.923 9.586 1.00 48.48 H new ATOM 0 HH21 ARG B 855 -18.494 31.782 7.569 1.00 55.75 H new ATOM 0 HH22 ARG B 855 -19.279 31.802 8.835 1.00 55.75 H new ATOM 2839 N LEU B 856 -16.692 24.040 9.226 1.00 23.64 N ATOM 2840 CA LEU B 856 -16.079 24.039 10.590 1.00 25.39 C ATOM 2841 C LEU B 856 -14.569 23.717 10.515 1.00 23.41 C ATOM 2842 O LEU B 856 -13.777 24.370 11.143 1.00 26.39 O ATOM 2843 CB LEU B 856 -16.766 23.058 11.524 1.00 25.60 C ATOM 2844 CG LEU B 856 -17.978 23.563 12.300 1.00 30.60 C ATOM 2845 CD1 LEU B 856 -17.564 24.753 13.180 1.00 32.91 C ATOM 2846 CD2 LEU B 856 -19.091 23.980 11.332 1.00 27.13 C ATOM 0 H LEU B 856 -17.306 23.447 9.118 1.00 23.64 H new ATOM 0 HA LEU B 856 -16.199 24.931 10.951 1.00 25.39 H new ATOM 0 HB2 LEU B 856 -17.043 22.290 11.001 1.00 25.60 H new ATOM 0 HB3 LEU B 856 -16.109 22.743 12.165 1.00 25.60 H new ATOM 0 HG LEU B 856 -18.315 22.850 12.866 1.00 30.60 H new ATOM 0 HD11 LEU B 856 -18.335 25.074 13.674 1.00 32.91 H new ATOM 0 HD12 LEU B 856 -16.876 24.471 13.803 1.00 32.91 H new ATOM 0 HD13 LEU B 856 -17.219 25.466 12.620 1.00 32.91 H new ATOM 0 HD21 LEU B 856 -19.856 24.299 11.836 1.00 27.13 H new ATOM 0 HD22 LEU B 856 -18.768 24.688 10.753 1.00 27.13 H new ATOM 0 HD23 LEU B 856 -19.355 23.217 10.794 1.00 27.13 H new ATOM 2847 N GLY B 857 -14.244 22.829 9.619 1.00 25.20 N ATOM 2848 CA GLY B 857 -12.863 22.440 9.384 1.00 23.12 C ATOM 2849 C GLY B 857 -12.048 23.525 8.776 1.00 25.20 C ATOM 2850 O GLY B 857 -10.930 23.846 9.236 1.00 28.81 O ATOM 0 H GLY B 857 -14.815 22.424 9.119 1.00 25.20 H new ATOM 0 HA2 GLY B 857 -12.460 22.173 10.225 1.00 23.12 H new ATOM 0 HA3 GLY B 857 -12.846 21.664 8.802 1.00 23.12 H new ATOM 2851 N ILE B 858 -12.651 24.278 7.817 1.00 23.95 N ATOM 2852 CA ILE B 858 -12.006 25.425 7.264 1.00 23.90 C ATOM 2853 C ILE B 858 -11.762 26.532 8.263 1.00 23.36 C ATOM 2854 O ILE B 858 -10.733 27.153 8.326 1.00 23.60 O ATOM 2855 CB ILE B 858 -12.862 25.969 6.028 1.00 28.30 C ATOM 2856 CG1 ILE B 858 -12.911 24.935 4.937 1.00 34.79 C ATOM 2857 CG2 ILE B 858 -12.274 27.231 5.451 1.00 28.43 C ATOM 2858 CD1 ILE B 858 -14.091 25.106 4.001 1.00 39.00 C ATOM 0 H ILE B 858 -13.432 24.116 7.495 1.00 23.95 H new ATOM 0 HA ILE B 858 -11.127 25.138 6.971 1.00 23.90 H new ATOM 0 HB ILE B 858 -13.753 26.159 6.362 1.00 28.30 H new ATOM 0 HG12 ILE B 858 -12.090 24.977 4.423 1.00 34.79 H new ATOM 0 HG13 ILE B 858 -12.949 24.053 5.338 1.00 34.79 H new ATOM 0 HG21 ILE B 858 -12.818 27.530 4.706 1.00 28.43 H new ATOM 0 HG22 ILE B 858 -12.254 27.920 6.133 1.00 28.43 H new ATOM 0 HG23 ILE B 858 -11.371 27.056 5.142 1.00 28.43 H new ATOM 0 HD11 ILE B 858 -14.069 24.414 3.322 1.00 39.00 H new ATOM 0 HD12 ILE B 858 -14.917 25.037 4.505 1.00 39.00 H new ATOM 0 HD13 ILE B 858 -14.044 25.977 3.576 1.00 39.00 H new ATOM 2859 N GLN B 859 -12.782 26.812 9.098 1.00 23.96 N ATOM 2860 CA GLN B 859 -12.659 27.813 10.082 1.00 26.41 C ATOM 2861 C GLN B 859 -11.537 27.558 11.176 1.00 21.96 C ATOM 2862 O GLN B 859 -10.817 28.492 11.486 1.00 23.63 O ATOM 2863 CB GLN B 859 -14.000 27.954 10.819 1.00 27.11 C ATOM 2864 CG GLN B 859 -15.079 28.521 9.886 1.00 29.53 C ATOM 2865 CD GLN B 859 -16.440 28.651 10.537 1.00 31.89 C ATOM 2866 OE1 GLN B 859 -16.952 27.730 11.168 1.00 34.46 O ATOM 2867 NE2 GLN B 859 -17.052 29.814 10.364 1.00 39.45 N ATOM 0 H GLN B 859 -13.544 26.413 9.084 1.00 23.96 H new ATOM 0 HA GLN B 859 -12.399 28.613 9.599 1.00 26.41 H new ATOM 0 HB2 GLN B 859 -14.281 27.089 11.157 1.00 27.11 H new ATOM 0 HB3 GLN B 859 -13.892 28.537 11.587 1.00 27.11 H new ATOM 0 HG2 GLN B 859 -14.796 29.393 9.570 1.00 29.53 H new ATOM 0 HG3 GLN B 859 -15.155 27.948 9.107 1.00 29.53 H new ATOM 0 HE21 GLN B 859 -16.667 30.440 9.917 1.00 39.45 H new ATOM 0 HE22 GLN B 859 -17.834 29.943 10.699 1.00 39.45 H new ATOM 2868 N VAL B 860 -11.518 26.341 11.711 1.00 24.52 N ATOM 2869 CA VAL B 860 -10.516 26.029 12.732 1.00 21.80 C ATOM 2870 C VAL B 860 -9.129 25.946 12.076 1.00 20.08 C ATOM 2871 O VAL B 860 -8.200 26.436 12.695 1.00 22.12 O ATOM 2872 CB VAL B 860 -10.900 24.784 13.487 1.00 22.47 C ATOM 2873 CG1 VAL B 860 -9.860 24.355 14.501 1.00 22.66 C ATOM 2874 CG2 VAL B 860 -12.254 25.041 14.200 1.00 21.69 C ATOM 0 H VAL B 860 -12.055 25.700 11.508 1.00 24.52 H new ATOM 0 HA VAL B 860 -10.477 26.738 13.393 1.00 21.80 H new ATOM 0 HB VAL B 860 -10.971 24.060 12.846 1.00 22.47 H new ATOM 0 HG11 VAL B 860 -10.161 23.552 14.954 1.00 22.66 H new ATOM 0 HG12 VAL B 860 -9.021 24.175 14.048 1.00 22.66 H new ATOM 0 HG13 VAL B 860 -9.731 25.063 15.151 1.00 22.66 H new ATOM 0 HG21 VAL B 860 -12.517 24.247 14.692 1.00 21.69 H new ATOM 0 HG22 VAL B 860 -12.160 25.786 14.815 1.00 21.69 H new ATOM 0 HG23 VAL B 860 -12.933 25.251 13.540 1.00 21.69 H new ATOM 2875 N GLN B 861 -9.053 25.423 10.850 1.00 21.35 N ATOM 2876 CA GLN B 861 -7.771 25.436 10.072 1.00 21.69 C ATOM 2877 C GLN B 861 -7.270 26.820 9.902 1.00 23.77 C ATOM 2878 O GLN B 861 -6.115 27.094 10.059 1.00 24.50 O ATOM 2879 CB GLN B 861 -7.813 24.658 8.810 1.00 25.74 C ATOM 2880 CG GLN B 861 -6.374 24.645 8.210 1.00 28.04 C ATOM 2881 CD GLN B 861 -6.100 23.575 7.153 1.00 33.08 C ATOM 2882 OE1 GLN B 861 -6.985 22.898 6.681 1.00 34.16 O ATOM 2883 NE2 GLN B 861 -4.809 23.425 6.805 1.00 39.24 N ATOM 0 H GLN B 861 -9.715 25.056 10.441 1.00 21.35 H new ATOM 0 HA GLN B 861 -7.119 24.956 10.607 1.00 21.69 H new ATOM 0 HB2 GLN B 861 -8.119 23.753 8.979 1.00 25.74 H new ATOM 0 HB3 GLN B 861 -8.438 25.057 8.185 1.00 25.74 H new ATOM 0 HG2 GLN B 861 -6.198 25.515 7.818 1.00 28.04 H new ATOM 0 HG3 GLN B 861 -5.741 24.528 8.936 1.00 28.04 H new ATOM 0 HE21 GLN B 861 -4.207 23.925 7.162 1.00 39.24 H new ATOM 0 HE22 GLN B 861 -4.586 22.830 6.226 1.00 39.24 H new ATOM 2884 N ASP B 862 -8.154 27.780 9.647 1.00 23.52 N ATOM 2885 CA AASP B 862 -7.647 29.128 9.519 0.50 24.60 C ATOM 2886 CA BASP B 862 -7.699 29.167 9.538 0.50 24.66 C ATOM 2887 C ASP B 862 -7.106 29.713 10.798 1.00 23.71 C ATOM 2888 O ASP B 862 -6.111 30.454 10.780 1.00 24.74 O ATOM 2889 CB AASP B 862 -8.661 30.027 8.809 0.50 28.63 C ATOM 2890 CB BASP B 862 -8.854 30.083 9.121 0.50 28.49 C ATOM 2891 CG AASP B 862 -8.451 30.007 7.310 0.50 32.65 C ATOM 2892 CG BASP B 862 -8.397 31.489 8.780 0.50 33.66 C ATOM 2893 OD1AASP B 862 -8.591 28.940 6.671 0.50 32.56 O ATOM 2894 OD1BASP B 862 -7.276 31.681 8.243 0.50 39.89 O ATOM 2895 OD2AASP B 862 -8.033 31.055 6.794 0.50 42.63 O ATOM 2896 OD2BASP B 862 -9.174 32.433 9.046 0.50 38.10 O ATOM 0 H AASP B 862 -9.002 27.678 9.550 0.50 23.52 H new ATOM 0 H BASP B 862 -8.998 27.658 9.536 0.50 23.52 H new ATOM 0 HA AASP B 862 -6.862 29.076 8.951 0.50 24.66 H new ATOM 0 HA BASP B 862 -7.001 29.151 8.865 0.50 24.66 H new ATOM 0 HB2AASP B 862 -9.561 29.731 9.016 0.50 28.49 H new ATOM 0 HB2BASP B 862 -9.305 29.699 8.353 0.50 28.49 H new ATOM 0 HB3AASP B 862 -8.578 30.936 9.138 0.50 28.49 H new ATOM 0 HB3BASP B 862 -9.504 30.124 9.840 0.50 28.49 H new ATOM 2897 N ILE B 863 -7.697 29.356 11.948 1.00 22.44 N ATOM 2898 CA ILE B 863 -7.143 29.745 13.253 1.00 24.33 C ATOM 2899 C ILE B 863 -5.738 29.130 13.372 1.00 21.97 C ATOM 2900 O ILE B 863 -4.793 29.824 13.796 1.00 23.12 O ATOM 2901 CB ILE B 863 -8.108 29.240 14.390 1.00 27.58 C ATOM 2902 CG1 ILE B 863 -9.475 29.982 14.279 1.00 34.11 C ATOM 2903 CG2 ILE B 863 -7.456 29.337 15.769 1.00 27.37 C ATOM 2904 CD1 ILE B 863 -9.320 31.440 14.564 1.00 34.64 C ATOM 0 H ILE B 863 -8.418 28.889 11.993 1.00 22.44 H new ATOM 0 HA ILE B 863 -7.068 30.708 13.339 1.00 24.33 H new ATOM 0 HB ILE B 863 -8.287 28.294 14.270 1.00 27.58 H new ATOM 0 HG12 ILE B 863 -9.841 29.861 13.389 1.00 34.11 H new ATOM 0 HG13 ILE B 863 -10.109 29.593 14.902 1.00 34.11 H new ATOM 0 HG21 ILE B 863 -8.076 29.019 16.444 1.00 27.37 H new ATOM 0 HG22 ILE B 863 -6.653 28.793 15.786 1.00 27.37 H new ATOM 0 HG23 ILE B 863 -7.224 30.261 15.953 1.00 27.37 H new ATOM 0 HD11 ILE B 863 -10.182 31.878 14.489 1.00 34.64 H new ATOM 0 HD12 ILE B 863 -8.975 31.559 15.462 1.00 34.64 H new ATOM 0 HD13 ILE B 863 -8.702 31.831 13.926 1.00 34.64 H new ATOM 2905 N PHE B 864 -5.666 27.828 13.078 1.00 20.39 N ATOM 2906 CA PHE B 864 -4.298 27.159 13.185 1.00 21.10 C ATOM 2907 C PHE B 864 -3.266 27.871 12.299 1.00 22.45 C ATOM 2908 O PHE B 864 -2.209 28.293 12.745 1.00 22.58 O ATOM 2909 CB PHE B 864 -4.451 25.726 12.819 1.00 19.49 C ATOM 2910 CG PHE B 864 -3.121 25.048 12.624 1.00 20.85 C ATOM 2911 CD1 PHE B 864 -2.286 24.771 13.740 1.00 23.93 C ATOM 2912 CD2 PHE B 864 -2.659 24.803 11.352 1.00 21.21 C ATOM 2913 CE1 PHE B 864 -1.044 24.174 13.546 1.00 20.66 C ATOM 2914 CE2 PHE B 864 -1.422 24.160 11.152 1.00 24.40 C ATOM 2915 CZ PHE B 864 -0.590 23.920 12.224 1.00 23.18 C ATOM 0 H PHE B 864 -6.320 27.326 12.833 1.00 20.39 H new ATOM 0 HA PHE B 864 -3.965 27.222 14.094 1.00 21.10 H new ATOM 0 HB2 PHE B 864 -4.948 25.267 13.514 1.00 19.49 H new ATOM 0 HB3 PHE B 864 -4.972 25.655 12.004 1.00 19.49 H new ATOM 0 HD1 PHE B 864 -2.569 24.988 14.599 1.00 23.93 H new ATOM 0 HD2 PHE B 864 -3.167 25.064 10.618 1.00 21.21 H new ATOM 0 HE1 PHE B 864 -0.516 23.943 14.276 1.00 20.66 H new ATOM 0 HE2 PHE B 864 -1.167 23.898 10.297 1.00 24.40 H new ATOM 0 HZ PHE B 864 0.269 23.592 12.082 1.00 23.18 H new ATOM 2916 N GLU B 865 -3.663 28.139 11.051 1.00 23.06 N ATOM 2917 CA GLU B 865 -2.692 28.728 10.090 1.00 23.33 C ATOM 2918 C GLU B 865 -2.253 30.149 10.413 1.00 24.93 C ATOM 2919 O GLU B 865 -1.085 30.492 10.329 1.00 24.99 O ATOM 2920 CB GLU B 865 -3.207 28.573 8.633 1.00 23.11 C ATOM 2921 CG GLU B 865 -3.445 27.176 8.121 1.00 26.47 C ATOM 2922 CD GLU B 865 -2.155 26.287 7.906 1.00 26.62 C ATOM 2923 OE1 GLU B 865 -1.037 26.851 7.986 1.00 30.47 O ATOM 2924 OE2 GLU B 865 -2.298 25.052 7.650 1.00 26.80 O ATOM 0 H GLU B 865 -4.453 27.998 10.741 1.00 23.06 H new ATOM 0 HA GLU B 865 -1.875 28.214 10.184 1.00 23.33 H new ATOM 0 HB2 GLU B 865 -4.039 29.065 8.556 1.00 23.11 H new ATOM 0 HB3 GLU B 865 -2.568 29.003 8.043 1.00 23.11 H new ATOM 0 HG2 GLU B 865 -4.032 26.718 8.743 1.00 26.47 H new ATOM 0 HG3 GLU B 865 -3.919 27.236 7.277 1.00 26.47 H new ATOM 2925 N LYS B 866 -3.190 31.002 10.877 1.00 24.65 N ATOM 2926 CA LYS B 866 -2.841 32.371 11.276 1.00 28.89 C ATOM 2927 C LYS B 866 -1.925 32.358 12.475 1.00 25.01 C ATOM 2928 O LYS B 866 -0.984 33.126 12.574 1.00 27.06 O ATOM 2929 CB LYS B 866 -4.078 33.185 11.697 1.00 32.08 C ATOM 2930 CG LYS B 866 -5.026 33.489 10.559 1.00 45.41 C ATOM 2931 CD LYS B 866 -6.373 34.053 11.065 1.00 52.91 C ATOM 2932 CE LYS B 866 -6.934 35.124 10.140 1.00 52.23 C ATOM 2933 NZ LYS B 866 -7.341 34.549 8.841 1.00 49.68 N ATOM 0 H LYS B 866 -4.022 30.804 10.965 1.00 24.65 H new ATOM 0 HA LYS B 866 -2.418 32.773 10.501 1.00 28.89 H new ATOM 0 HB2 LYS B 866 -4.557 32.696 12.384 1.00 32.08 H new ATOM 0 HB3 LYS B 866 -3.785 34.020 12.094 1.00 32.08 H new ATOM 0 HG2 LYS B 866 -4.614 34.128 9.957 1.00 45.41 H new ATOM 0 HG3 LYS B 866 -5.186 32.681 10.047 1.00 45.41 H new ATOM 0 HD2 LYS B 866 -7.014 33.330 11.146 1.00 52.91 H new ATOM 0 HD3 LYS B 866 -6.253 34.426 11.952 1.00 52.91 H new ATOM 0 HE2 LYS B 866 -7.697 35.551 10.561 1.00 52.23 H new ATOM 0 HE3 LYS B 866 -6.266 35.813 9.997 1.00 52.23 H new ATOM 0 HZ1 LYS B 866 -7.610 35.201 8.299 1.00 49.68 H new ATOM 0 HZ2 LYS B 866 -6.650 34.125 8.474 1.00 49.68 H new ATOM 0 HZ3 LYS B 866 -8.008 33.974 8.967 1.00 49.68 H new ATOM 2934 N ASN B 867 -2.195 31.439 13.414 1.00 23.39 N ATOM 2935 CA ASN B 867 -1.324 31.393 14.597 1.00 22.05 C ATOM 2936 C ASN B 867 0.072 30.814 14.279 1.00 19.76 C ATOM 2937 O ASN B 867 1.031 31.251 14.857 1.00 24.63 O ATOM 2938 CB ASN B 867 -2.009 30.641 15.815 1.00 23.23 C ATOM 2939 CG ASN B 867 -3.030 31.562 16.537 1.00 23.03 C ATOM 2940 OD1 ASN B 867 -2.653 32.430 17.288 1.00 27.26 O ATOM 2941 ND2 ASN B 867 -4.286 31.374 16.211 1.00 23.88 N ATOM 0 H ASN B 867 -2.836 30.867 13.391 1.00 23.39 H new ATOM 0 HA ASN B 867 -1.188 32.314 14.871 1.00 22.05 H new ATOM 0 HB2 ASN B 867 -2.458 29.843 15.495 1.00 23.23 H new ATOM 0 HB3 ASN B 867 -1.329 30.351 16.444 1.00 23.23 H new ATOM 0 HD21 ASN B 867 -4.896 31.885 16.537 1.00 23.88 H new ATOM 0 HD22 ASN B 867 -4.500 30.740 15.671 1.00 23.88 H new ATOM 2942 N PHE B 868 0.130 29.853 13.385 1.00 23.09 N ATOM 2943 CA PHE B 868 1.420 29.259 12.978 1.00 20.19 C ATOM 2944 C PHE B 868 2.312 30.344 12.372 1.00 22.11 C ATOM 2945 O PHE B 868 3.426 30.508 12.735 1.00 24.45 O ATOM 2946 CB PHE B 868 1.123 28.180 11.950 1.00 21.39 C ATOM 2947 CG PHE B 868 2.315 27.522 11.317 1.00 22.27 C ATOM 2948 CD1 PHE B 868 3.324 26.977 12.095 1.00 23.46 C ATOM 2949 CD2 PHE B 868 2.400 27.449 9.927 1.00 29.59 C ATOM 2950 CE1 PHE B 868 4.416 26.393 11.518 1.00 24.17 C ATOM 2951 CE2 PHE B 868 3.529 26.883 9.340 1.00 31.91 C ATOM 2952 CZ PHE B 868 4.530 26.369 10.146 1.00 24.68 C ATOM 0 H PHE B 868 -0.558 29.518 12.991 1.00 23.09 H new ATOM 0 HA PHE B 868 1.884 28.876 13.739 1.00 20.19 H new ATOM 0 HB2 PHE B 868 0.586 27.493 12.375 1.00 21.39 H new ATOM 0 HB3 PHE B 868 0.581 28.570 11.247 1.00 21.39 H new ATOM 0 HD1 PHE B 868 3.257 27.009 13.022 1.00 23.46 H new ATOM 0 HD2 PHE B 868 1.709 27.775 9.397 1.00 29.59 H new ATOM 0 HE1 PHE B 868 5.079 26.014 12.049 1.00 24.17 H new ATOM 0 HE2 PHE B 868 3.610 26.851 8.414 1.00 31.91 H new ATOM 0 HZ PHE B 868 5.290 26.002 9.755 1.00 24.68 H new ATOM 2953 N ARG B 869 1.738 31.119 11.447 1.00 24.33 N ATOM 2954 CA ARG B 869 2.529 32.242 10.857 1.00 25.98 C ATOM 2955 C ARG B 869 2.949 33.284 11.859 1.00 27.86 C ATOM 2956 O ARG B 869 4.070 33.784 11.812 1.00 28.51 O ATOM 2957 CB ARG B 869 1.771 32.859 9.649 1.00 29.10 C ATOM 2958 CG ARG B 869 1.557 31.883 8.539 1.00 29.00 C ATOM 2959 CD ARG B 869 0.996 32.582 7.292 1.00 30.14 C ATOM 2960 NE ARG B 869 -0.229 33.337 7.607 1.00 32.64 N ATOM 2961 CZ ARG B 869 -1.467 32.872 7.451 1.00 35.02 C ATOM 2962 NH1 ARG B 869 -1.703 31.631 7.007 1.00 35.89 N ATOM 2963 NH2 ARG B 869 -2.499 33.649 7.759 1.00 40.12 N ATOM 0 H ARG B 869 0.935 31.031 11.151 1.00 24.33 H new ATOM 0 HA ARG B 869 3.362 31.860 10.538 1.00 25.98 H new ATOM 0 HB2 ARG B 869 0.912 33.194 9.949 1.00 29.10 H new ATOM 0 HB3 ARG B 869 2.271 33.619 9.313 1.00 29.10 H new ATOM 0 HG2 ARG B 869 2.396 31.448 8.320 1.00 29.00 H new ATOM 0 HG3 ARG B 869 0.944 31.189 8.828 1.00 29.00 H new ATOM 0 HD2 ARG B 869 1.664 33.183 6.928 1.00 30.14 H new ATOM 0 HD3 ARG B 869 0.805 31.922 6.607 1.00 30.14 H new ATOM 0 HE ARG B 869 -0.138 34.135 7.914 1.00 32.64 H new ATOM 0 HH11 ARG B 869 -1.046 31.111 6.814 1.00 35.89 H new ATOM 0 HH12 ARG B 869 -2.512 31.354 6.915 1.00 35.89 H new ATOM 0 HH21 ARG B 869 -2.365 34.445 8.056 1.00 40.12 H new ATOM 0 HH22 ARG B 869 -3.302 33.356 7.661 1.00 40.12 H new ATOM 2964 N ASN B 870 2.074 33.627 12.808 1.00 25.66 N ATOM 2965 CA ASN B 870 2.431 34.605 13.823 1.00 28.24 C ATOM 2966 C ASN B 870 3.522 34.108 14.783 1.00 29.84 C ATOM 2967 O ASN B 870 4.495 34.762 15.068 1.00 30.34 O ATOM 2968 CB ASN B 870 1.181 34.926 14.629 1.00 30.87 C ATOM 2969 CG ASN B 870 1.413 36.024 15.615 1.00 42.54 C ATOM 2970 OD1 ASN B 870 1.332 35.822 16.831 1.00 57.64 O ATOM 2971 ND2 ASN B 870 1.755 37.189 15.111 1.00 48.36 N ATOM 0 H ASN B 870 1.279 33.306 12.877 1.00 25.66 H new ATOM 0 HA ASN B 870 2.786 35.385 13.369 1.00 28.24 H new ATOM 0 HB2 ASN B 870 0.466 35.181 14.026 1.00 30.87 H new ATOM 0 HB3 ASN B 870 0.887 34.129 15.098 1.00 30.87 H new ATOM 0 HD21 ASN B 870 1.933 37.848 15.634 1.00 48.36 H new ATOM 0 HD22 ASN B 870 1.801 37.292 14.258 1.00 48.36 H new ATOM 2972 N ILE B 871 3.322 32.900 15.315 1.00 25.39 N ATOM 2973 CA ILE B 871 4.229 32.391 16.389 1.00 26.67 C ATOM 2974 C ILE B 871 5.659 32.119 15.836 1.00 26.23 C ATOM 2975 O ILE B 871 6.637 32.344 16.525 1.00 29.67 O ATOM 2976 CB ILE B 871 3.605 31.121 17.012 1.00 26.59 C ATOM 2977 CG1 ILE B 871 2.395 31.478 17.863 1.00 25.81 C ATOM 2978 CG2 ILE B 871 4.630 30.277 17.824 1.00 29.34 C ATOM 2979 CD1 ILE B 871 1.503 30.267 18.123 1.00 25.37 C ATOM 0 H ILE B 871 2.690 32.363 15.086 1.00 25.39 H new ATOM 0 HA ILE B 871 4.324 33.066 17.079 1.00 26.67 H new ATOM 0 HB ILE B 871 3.314 30.562 16.274 1.00 26.59 H new ATOM 0 HG12 ILE B 871 2.693 31.847 18.709 1.00 25.81 H new ATOM 0 HG13 ILE B 871 1.880 32.169 17.418 1.00 25.81 H new ATOM 0 HG21 ILE B 871 4.188 29.496 18.191 1.00 29.34 H new ATOM 0 HG22 ILE B 871 5.352 29.995 17.240 1.00 29.34 H new ATOM 0 HG23 ILE B 871 4.990 30.814 18.547 1.00 29.34 H new ATOM 0 HD11 ILE B 871 0.745 30.534 18.667 1.00 25.37 H new ATOM 0 HD12 ILE B 871 1.185 29.912 17.278 1.00 25.37 H new ATOM 0 HD13 ILE B 871 2.011 29.585 18.590 1.00 25.37 H new ATOM 2980 N PHE B 872 5.719 31.626 14.612 1.00 27.97 N ATOM 2981 CA PHE B 872 7.004 31.310 13.915 1.00 27.58 C ATOM 2982 C PHE B 872 7.479 32.413 12.972 1.00 31.43 C ATOM 2983 O PHE B 872 8.434 32.207 12.250 1.00 34.01 O ATOM 2984 CB PHE B 872 6.871 30.008 13.183 1.00 26.59 C ATOM 2985 CG PHE B 872 6.794 28.789 14.132 1.00 27.11 C ATOM 2986 CD1 PHE B 872 7.953 28.255 14.633 1.00 29.55 C ATOM 2987 CD2 PHE B 872 5.569 28.248 14.552 1.00 27.35 C ATOM 2988 CE1 PHE B 872 7.923 27.135 15.486 1.00 24.71 C ATOM 2989 CE2 PHE B 872 5.535 27.142 15.407 1.00 31.01 C ATOM 2990 CZ PHE B 872 6.748 26.607 15.870 1.00 25.76 C ATOM 0 H PHE B 872 5.021 31.456 14.140 1.00 27.97 H new ATOM 0 HA PHE B 872 7.687 31.240 14.601 1.00 27.58 H new ATOM 0 HB2 PHE B 872 6.074 30.033 12.631 1.00 26.59 H new ATOM 0 HB3 PHE B 872 7.627 29.900 12.585 1.00 26.59 H new ATOM 0 HD1 PHE B 872 8.770 28.638 14.407 1.00 29.55 H new ATOM 0 HD2 PHE B 872 4.773 28.629 14.259 1.00 27.35 H new ATOM 0 HE1 PHE B 872 8.719 26.759 15.785 1.00 24.71 H new ATOM 0 HE2 PHE B 872 4.724 26.767 15.664 1.00 31.01 H new ATOM 0 HZ PHE B 872 6.738 25.879 16.449 1.00 25.76 H new ATOM 2991 N ALA B 873 6.802 33.577 12.973 1.00 29.56 N ATOM 2992 CA ALA B 873 7.183 34.730 12.134 1.00 29.08 C ATOM 2993 C ALA B 873 7.368 34.407 10.672 1.00 30.48 C ATOM 2994 O ALA B 873 8.439 34.663 10.128 1.00 35.05 O ATOM 2995 CB ALA B 873 8.432 35.391 12.710 1.00 34.34 C ATOM 0 H ALA B 873 6.108 33.718 13.461 1.00 29.56 H new ATOM 0 HA ALA B 873 6.434 35.346 12.159 1.00 29.08 H new ATOM 0 HB1 ALA B 873 8.681 36.148 12.158 1.00 34.34 H new ATOM 0 HB2 ALA B 873 8.250 35.696 13.613 1.00 34.34 H new ATOM 0 HB3 ALA B 873 9.160 34.750 12.726 1.00 34.34 H new ATOM 2996 N ILE B 874 6.378 33.797 10.060 1.00 33.04 N ATOM 2997 CA ILE B 874 6.510 33.240 8.701 1.00 37.22 C ATOM 2998 C ILE B 874 6.215 34.423 7.815 1.00 47.01 C ATOM 2999 O ILE B 874 5.301 35.177 8.164 1.00 42.06 O ATOM 3000 CB ILE B 874 5.466 32.162 8.382 1.00 39.37 C ATOM 3001 CG1 ILE B 874 5.619 30.914 9.277 1.00 47.09 C ATOM 3002 CG2 ILE B 874 5.506 31.791 6.903 1.00 40.38 C ATOM 3003 CD1 ILE B 874 6.606 29.906 8.819 1.00 51.30 C ATOM 0 H ILE B 874 5.600 33.686 10.410 1.00 33.04 H new ATOM 0 HA ILE B 874 7.380 32.826 8.588 1.00 37.22 H new ATOM 0 HB ILE B 874 4.594 32.540 8.579 1.00 39.37 H new ATOM 0 HG12 ILE B 874 5.869 31.205 10.168 1.00 47.09 H new ATOM 0 HG13 ILE B 874 4.753 30.483 9.352 1.00 47.09 H new ATOM 0 HG21 ILE B 874 4.840 31.109 6.722 1.00 40.38 H new ATOM 0 HG22 ILE B 874 5.318 32.577 6.367 1.00 40.38 H new ATOM 0 HG23 ILE B 874 6.386 31.450 6.678 1.00 40.38 H new ATOM 0 HD11 ILE B 874 6.627 29.166 9.445 1.00 51.30 H new ATOM 0 HD12 ILE B 874 6.352 29.580 7.942 1.00 51.30 H new ATOM 0 HD13 ILE B 874 7.485 30.313 8.770 1.00 51.30 H new ATOM 3004 N GLN B 875 6.964 34.581 6.720 1.00 55.46 N ATOM 3005 CA GLN B 875 6.708 35.615 5.680 1.00 70.83 C ATOM 3006 C GLN B 875 5.211 35.755 5.267 1.00 91.47 C ATOM 3007 O GLN B 875 4.516 34.737 5.087 1.00100.65 O ATOM 3008 CB GLN B 875 7.558 35.322 4.430 1.00 67.71 C ATOM 3009 CG GLN B 875 7.302 33.975 3.733 1.00 70.60 C ATOM 3010 CD GLN B 875 7.344 34.066 2.190 1.00 76.43 C ATOM 3011 OE1 GLN B 875 8.148 34.816 1.610 1.00 78.29 O ATOM 3012 NE2 GLN B 875 6.481 33.305 1.525 1.00 68.89 N ATOM 0 H GLN B 875 7.648 34.088 6.549 1.00 55.46 H new ATOM 0 HA GLN B 875 6.959 36.461 6.082 1.00 70.83 H new ATOM 0 HB2 GLN B 875 7.407 36.032 3.786 1.00 67.71 H new ATOM 0 HB3 GLN B 875 8.494 35.362 4.682 1.00 67.71 H new ATOM 0 HG2 GLN B 875 7.965 33.333 4.031 1.00 70.60 H new ATOM 0 HG3 GLN B 875 6.436 33.636 4.007 1.00 70.60 H new ATOM 0 HE21 GLN B 875 5.937 32.796 1.954 1.00 68.89 H new ATOM 0 HE22 GLN B 875 6.467 33.321 0.665 1.00 68.89 H new ATOM 3013 N GLU B 876 4.719 36.997 5.121 1.00 97.45 N ATOM 3014 CA GLU B 876 3.303 37.247 4.749 1.00 98.53 C ATOM 3015 C GLU B 876 3.084 37.188 3.233 1.00103.97 C ATOM 3016 O GLU B 876 3.736 36.417 2.519 1.00103.34 O ATOM 3017 CB GLU B 876 2.815 38.596 5.292 1.00 94.32 C ATOM 0 H GLU B 876 5.185 37.711 5.232 1.00 97.45 H new ATOM 0 HA GLU B 876 2.783 36.536 5.155 1.00 98.53 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.404 7.851 4.181 1.00 26.61 ZN2+ HETATM 3020 ZN ZN A 902 22.725 -6.363 2.735 1.00 32.76 ZN2+ HETATM 3021 ZN ZN A 903 34.579 -20.172 15.003 0.43 54.34 ZN2+ HETATM 3022 O1 MES A 904 19.114 32.222 23.467 0.59 27.99 O HETATM 3023 C2 MES A 904 18.846 31.886 24.810 0.59 29.38 C HETATM 3024 C3 MES A 904 18.755 30.392 25.052 0.59 28.59 C HETATM 3025 N4 MES A 904 18.019 29.701 23.969 0.59 27.54 N HETATM 3026 C5 MES A 904 18.271 30.066 22.566 0.59 25.39 C HETATM 3027 C6 MES A 904 18.614 31.532 22.321 0.59 27.30 C HETATM 3028 C7 MES A 904 17.815 28.229 24.121 0.59 23.85 C HETATM 3029 C8 MES A 904 18.235 27.530 25.429 0.59 22.24 C HETATM 3030 S MES A 904 17.389 26.038 25.624 0.59 22.00 S HETATM 3031 O1S MES A 904 18.044 25.282 26.716 0.59 22.49 O HETATM 3032 O2S MES A 904 17.380 25.353 24.336 0.59 23.46 O HETATM 3033 O3S MES A 904 16.021 26.384 26.133 0.59 23.71 O HETATM 0 H82 MES A 904 19.191 27.366 25.421 0.59 22.24 H new HETATM 0 H81 MES A 904 18.053 28.111 26.184 0.59 22.24 H new HETATM 0 H72 MES A 904 16.870 28.052 23.989 0.59 23.85 H new HETATM 0 H71 MES A 904 18.289 27.794 23.395 0.59 23.85 H new HETATM 0 H62 MES A 904 17.820 31.989 22.003 0.59 27.30 H new HETATM 0 H61 MES A 904 19.274 31.584 21.612 0.59 27.30 H new HETATM 0 H52 MES A 904 18.999 29.519 22.232 0.59 25.39 H new HETATM 0 H51 MES A 904 17.485 29.842 22.044 0.59 25.39 H new HETATM 0 H32 MES A 904 19.649 30.021 25.123 0.59 28.59 H new HETATM 0 H31 MES A 904 18.312 30.228 25.899 0.59 28.59 H new HETATM 0 H22 MES A 904 19.543 32.256 25.374 0.59 29.38 H new HETATM 0 H21 MES A 904 18.012 32.302 25.080 0.59 29.38 H new HETATM 3034 C1 EDO A 905 32.160 -0.533 31.905 1.00 59.53 C HETATM 3035 O1 EDO A 905 30.779 -0.196 31.713 1.00 58.26 O HETATM 3036 C2 EDO A 905 32.269 -1.968 32.347 1.00 55.98 C HETATM 3037 O2 EDO A 905 33.366 -2.637 31.707 1.00 49.85 O HETATM 0 HO2 EDO A 905 33.187 -3.454 31.625 1.00 49.85 H new HETATM 0 HO1 EDO A 905 30.557 -0.365 30.921 1.00 58.26 H new HETATM 0 H22 EDO A 905 32.385 -2.003 33.309 1.00 55.98 H new HETATM 0 H21 EDO A 905 31.443 -2.433 32.144 1.00 55.98 H new HETATM 0 H12 EDO A 905 32.653 -0.400 31.080 1.00 59.53 H new HETATM 0 H11 EDO A 905 32.556 0.052 32.570 1.00 59.53 H new HETATM 3038 ZN ZN B 901 -10.291 25.319 31.003 1.00 21.95 ZN2+ HETATM 3039 ZN ZN B 902 0.988 34.643 32.145 1.00 25.07 ZN2+ HETATM 3040 C1 EDO B 903 12.843 26.664 28.533 1.00 44.75 C HETATM 3041 O1 EDO B 903 11.607 26.303 29.184 1.00 38.06 O HETATM 3042 C2 EDO B 903 12.609 26.524 27.047 1.00 43.79 C HETATM 3043 O2 EDO B 903 11.978 27.730 26.576 1.00 47.96 O HETATM 0 HO2 EDO B 903 11.554 28.089 27.206 1.00 47.96 H new HETATM 0 HO1 EDO B 903 11.426 25.500 29.016 1.00 38.06 H new HETATM 0 H22 EDO B 903 13.449 26.379 26.584 1.00 43.79 H new HETATM 0 H21 EDO B 903 12.048 25.755 26.864 1.00 43.79 H new HETATM 0 H12 EDO B 903 13.098 27.573 28.757 1.00 44.75 H new HETATM 0 H11 EDO B 903 13.566 26.087 28.823 1.00 44.75 H new HETATM 3044 O HOH A1001 16.301 23.110 27.345 1.00130.52 O HETATM 3045 O HOH A1002 19.575 25.333 33.165 1.00 42.88 O HETATM 3046 O HOH A1003 44.988 1.289 23.268 1.00 38.36 O HETATM 3047 O HOH A1004 19.005 5.277 29.016 1.00 37.81 O HETATM 3048 O HOH A1005 33.068 23.872 30.881 1.00 67.01 O HETATM 3049 O HOH A1006 36.476 0.753 30.467 1.00 48.98 O HETATM 3050 O HOH A1007 35.545 -1.767 31.665 1.00 42.03 O HETATM 3051 O HOH A1008 30.142 -8.327 33.913 1.00 78.54 O HETATM 3052 O HOH A1009 14.271 4.637 29.393 1.00 62.42 O HETATM 3053 O HOH A1010 16.870 -1.806 9.632 1.00 40.08 O HETATM 3054 O HOH A1011 30.055 -17.141 27.424 1.00 49.84 O HETATM 3055 O HOH A1012 19.475 -0.284 27.737 1.00 48.08 O HETATM 3056 O HOH A1013 23.089 -8.897 26.852 1.00 38.99 O HETATM 3057 O HOH A1014 34.863 4.957 6.780 1.00 37.07 O HETATM 3058 O HOH A1015 19.669 15.862 34.104 1.00 44.49 O HETATM 3059 O HOH A1016 31.006 6.718 -0.727 1.00 42.91 O HETATM 3060 O HOH A1017 14.859 -4.754 -6.617 1.00 57.91 O HETATM 3061 O HOH A1018 10.564 0.178 -0.362 1.00 74.80 O HETATM 3062 O HOH A1019 17.796 -8.399 27.842 1.00 38.77 O HETATM 3063 O HOH A1020 26.125 18.863 36.110 1.00 50.80 O HETATM 3064 O HOH A1021 46.104 -6.966 17.981 1.00 52.91 O HETATM 3065 O HOH A1022 28.771 11.316 -4.126 1.00 65.16 O HETATM 3066 O HOH A1023 16.276 15.685 35.008 1.00 46.35 O HETATM 3067 O HOH A1024 39.699 -10.071 24.426 1.00 37.05 O HETATM 3068 O HOH A1025 32.546 21.799 20.197 1.00 26.97 O HETATM 3069 O HOH A1026 15.475 2.989 16.816 1.00 26.44 O HETATM 3070 O HOH A1027 9.697 7.649 3.253 1.00 51.55 O HETATM 3071 O HOH A1028 14.003 4.894 26.715 1.00 50.23 O HETATM 3072 O HOH A1029 31.021 21.283 13.309 1.00 30.35 O HETATM 3073 O HOH A1030 29.351 14.894 30.930 1.00 33.77 O HETATM 3074 O HOH A1031 6.993 17.248 26.465 1.00 49.20 O HETATM 3075 O HOH A1032 31.568 24.968 29.930 1.00 47.13 O HETATM 3076 O HOH A1033 34.946 -1.396 7.940 1.00 27.65 O HETATM 3077 O HOH A1034 24.710 17.825 25.021 1.00 22.71 O HETATM 3078 O HOH A1035 35.187 17.939 21.993 1.00 33.95 O HETATM 3079 O HOH A1036 37.529 11.158 22.733 1.00 41.01 O HETATM 3080 O HOH A1037 35.518 10.185 25.613 1.00 28.16 O HETATM 3081 O BHOH A1038 19.294 12.765 29.846 0.64 27.04 O HETATM 3082 O HOH A1039 19.535 -11.275 2.435 1.00 58.18 O HETATM 3083 O HOH A1040 34.517 -13.866 21.250 1.00 55.26 O HETATM 3084 O HOH A1041 11.597 20.800 26.360 1.00 27.46 O HETATM 3085 O HOH A1042 31.295 -11.801 19.359 1.00 36.94 O HETATM 3086 O HOH A1043 28.891 -15.913 29.766 1.00 42.57 O HETATM 3087 O HOH A1044 21.585 26.398 37.850 1.00 49.98 O HETATM 3088 O HOH A1045 22.923 -8.219 10.289 1.00 35.27 O HETATM 3089 O HOH A1046 35.443 -20.203 19.618 1.00 48.44 O HETATM 3090 O HOH A1047 23.748 -7.962 29.929 1.00 39.30 O HETATM 3091 O HOH A1048 25.614 22.184 14.447 1.00 33.19 O HETATM 3092 O HOH A1049 14.455 1.227 7.883 1.00 44.82 O HETATM 3093 O HOH A1050 32.828 6.230 5.231 1.00 42.74 O HETATM 3094 O HOH A1051 14.638 10.779 8.285 1.00 39.66 O HETATM 3095 O HOH A1052 26.294 20.811 31.836 1.00 30.73 O HETATM 3096 O HOH A1053 17.123 27.366 32.429 1.00 56.06 O HETATM 3097 O HOH A1054 20.363 34.567 23.621 1.00 70.90 O HETATM 3098 O HOH A1055 37.700 8.336 25.826 1.00 35.72 O HETATM 3099 O HOH A1056 14.675 4.400 23.522 1.00 31.39 O HETATM 3100 O HOH A1057 28.932 7.252 6.526 1.00 26.98 O HETATM 3101 O HOH A1058 23.400 -14.201 33.763 1.00 29.59 O HETATM 3102 O HOH A1059 42.123 1.819 14.710 1.00 43.84 O HETATM 3103 O HOH A1060 36.990 13.171 14.735 1.00 42.88 O HETATM 3104 O HOH A1061 19.450 -5.615 12.214 1.00 45.74 O HETATM 3105 O HOH A1062 19.044 11.307 -2.545 1.00 37.61 O HETATM 3106 O HOH A1063 19.925 24.333 23.814 1.00 39.95 O HETATM 3107 O HOH A1064 26.594 -3.888 28.616 1.00 25.45 O HETATM 3108 O BHOH A1065 21.130 8.322 29.668 0.92 51.90 O HETATM 3109 O HOH A1066 16.468 -0.074 2.628 1.00 34.51 O HETATM 3110 O HOH A1067 40.294 -7.339 18.653 1.00 33.21 O HETATM 3111 O BHOH A1068 21.165 11.220 28.495 0.62 23.82 O HETATM 3112 O HOH A1069 32.073 8.407 28.487 1.00 20.99 O HETATM 3113 O HOH A1070 16.976 8.025 11.247 1.00 31.90 O HETATM 3114 O HOH A1071 20.621 -9.280 8.717 1.00 52.88 O HETATM 3115 O HOH A1072 11.280 23.625 28.511 1.00 30.80 O HETATM 3116 O HOH A1073 17.407 -12.734 28.332 1.00 40.81 O HETATM 3117 O HOH A1074 31.691 -9.910 21.164 1.00 28.45 O HETATM 3118 O HOH A1075 39.931 11.988 6.736 1.00 77.09 O HETATM 3119 O HOH A1076 25.171 9.478 -3.726 1.00 49.00 O HETATM 3120 O HOH A1077 30.629 -5.648 -1.175 1.00 59.45 O HETATM 3121 O HOH A1078 13.100 6.274 14.176 1.00 33.32 O HETATM 3122 O HOH A1079 15.529 25.832 22.390 1.00 23.98 O HETATM 3123 O HOH A1080 30.886 21.904 32.506 1.00 41.93 O HETATM 3124 O HOH A1081 35.992 11.626 18.746 1.00 36.44 O HETATM 3125 O HOH A1082 25.757 15.755 23.724 1.00 17.74 O HETATM 3126 O HOH A1083 20.114 -7.083 26.198 1.00 31.95 O HETATM 3127 O HOH A1084 26.870 -9.403 31.519 1.00 37.41 O HETATM 3128 O HOH A1085 14.750 1.625 23.456 1.00 39.39 O HETATM 3129 O HOH A1086 30.097 22.430 21.496 1.00 26.00 O HETATM 3130 O HOH A1087 13.079 5.399 19.802 1.00 49.31 O HETATM 3131 O HOH A1088 25.897 8.057 29.163 1.00 30.73 O HETATM 3132 O HOH A1089 21.557 -5.063 16.620 1.00 26.33 O HETATM 3133 O HOH A1090 24.244 -13.458 22.152 1.00 25.89 O HETATM 3134 O HOH A1091 20.177 19.083 19.832 1.00 30.51 O HETATM 3135 O HOH A1092 21.899 -4.172 -5.957 1.00 54.66 O HETATM 3136 O HOH A1093 34.292 4.151 9.232 1.00 25.16 O HETATM 3137 O HOH A1094 10.851 6.247 25.626 1.00 47.30 O HETATM 3138 O HOH A1095 29.163 -10.592 3.780 1.00 40.99 O HETATM 3139 O HOH A1096 15.827 12.445 12.136 1.00 34.10 O HETATM 3140 O HOH A1097 19.726 -7.820 -3.441 1.00 49.48 O HETATM 3141 O HOH A1098 24.408 17.481 19.090 1.00 20.34 O HETATM 3142 O HOH A1099 16.747 4.172 30.538 1.00 51.33 O HETATM 3143 O HOH A1100 22.504 17.743 15.918 1.00 28.81 O HETATM 3144 O HOH A1101 37.530 -2.892 30.290 1.00 37.34 O HETATM 3145 O HOH A1102 31.921 -10.142 7.046 1.00 45.74 O HETATM 3146 O HOH A1103 30.581 -21.153 23.401 1.00 26.34 O HETATM 3147 O HOH A1104 39.991 -7.841 25.695 1.00 35.52 O HETATM 3148 O HOH A1105 29.873 -2.756 3.202 1.00 30.34 O HETATM 3149 O HOH A1106 23.174 8.873 -2.035 1.00 31.03 O HETATM 3150 O HOH A1107 25.111 -1.215 -5.264 1.00 52.53 O HETATM 3151 O HOH A1108 40.620 0.010 12.914 1.00 26.58 O HETATM 3152 O HOH A1109 28.277 17.159 23.866 1.00 19.42 O HETATM 3153 O HOH A1110 35.128 1.212 -4.349 1.00 80.10 O HETATM 3154 O HOH A1111 22.412 17.938 23.636 1.00 27.65 O HETATM 3155 O HOH A1112 28.822 0.120 -4.991 1.00 55.90 O HETATM 3156 O HOH A1113 20.187 11.549 12.260 1.00 28.29 O HETATM 3157 O HOH A1114 24.937 27.649 28.937 1.00 22.72 O HETATM 3158 O HOH A1115 24.104 -11.445 20.270 1.00 35.95 O HETATM 3159 O HOH A1116 26.218 11.531 9.039 1.00 38.84 O HETATM 3160 O HOH A1117 24.590 7.324 9.048 1.00 26.28 O HETATM 3161 O HOH A1118 36.596 -3.336 9.114 1.00 26.66 O HETATM 3162 O HOH A1119 27.511 -1.095 31.373 1.00 44.26 O HETATM 3163 O HOH A1120 18.339 -3.253 16.113 1.00 37.97 O HETATM 3164 O HOH A1121 25.679 23.250 34.329 1.00 40.66 O HETATM 3165 O HOH A1122 21.133 19.959 22.171 1.00 32.80 O HETATM 3166 O HOH A1123 14.369 -0.110 28.010 1.00 53.35 O HETATM 3167 O HOH A1124 33.815 -14.796 12.039 1.00 43.59 O HETATM 3168 O HOH A1125 48.280 -0.538 24.428 1.00 52.86 O HETATM 3169 O HOH A1126 18.090 30.236 28.688 1.00 34.28 O HETATM 3170 O HOH A1127 24.581 -2.075 28.014 1.00 25.20 O HETATM 3171 O HOH A1128 28.007 -11.229 1.342 1.00 52.30 O HETATM 3172 O HOH A1129 25.678 2.682 30.213 1.00 41.75 O HETATM 3173 O HOH A1130 20.865 3.319 28.828 1.00 42.39 O HETATM 3174 O HOH A1131 29.817 -11.956 15.858 1.00 41.15 O HETATM 3175 O HOH A1132 17.679 -0.477 17.201 1.00 25.70 O HETATM 3176 O HOH A1133 23.372 -10.320 22.826 1.00 51.80 O HETATM 3177 O HOH A1134 24.179 10.444 1.226 1.00 35.15 O HETATM 3178 O HOH A1135 18.622 26.598 18.237 1.00 59.31 O HETATM 3179 O HOH A1136 20.162 -6.206 -5.569 1.00 68.21 O HETATM 3180 O HOH A1137 34.177 -12.021 27.511 1.00 29.21 O HETATM 3181 O HOH A1138 29.175 -7.637 31.279 1.00 26.26 O HETATM 3182 O HOH A1139 17.724 1.743 15.753 1.00 25.14 O HETATM 3183 O HOH A1140 26.966 -21.146 10.780 1.00 45.16 O HETATM 3184 O HOH A1141 24.369 9.198 30.363 1.00 43.91 O HETATM 3185 O HOH A1142 32.113 16.707 29.019 1.00 23.88 O HETATM 3186 O HOH A1143 17.501 -1.759 27.633 1.00 42.52 O HETATM 3187 O HOH A1144 12.271 7.765 16.997 1.00 40.68 O HETATM 3188 O HOH A1145 28.101 27.155 28.131 1.00 30.04 O HETATM 3189 O HOH A1146 13.487 5.525 12.111 1.00 48.60 O HETATM 3190 O HOH A1147 27.068 -8.967 15.763 1.00 36.10 O HETATM 3191 O HOH A1148 37.707 8.044 23.071 1.00 31.94 O HETATM 3192 O HOH A1149 42.578 -7.102 21.563 1.00 33.97 O HETATM 3193 O HOH A1150 34.563 -13.733 9.514 1.00 52.65 O HETATM 3194 O HOH A1151 15.681 3.460 10.273 1.00 28.42 O HETATM 3195 O HOH A1152 25.509 15.787 20.897 1.00 20.74 O HETATM 3196 O HOH A1153 32.633 -16.754 22.571 1.00 50.12 O HETATM 3197 O HOH A1154 20.065 -6.413 23.441 1.00 26.86 O HETATM 3198 O HOH A1155 44.274 3.228 15.377 1.00 46.34 O HETATM 3199 O HOH A1156 31.645 18.184 31.324 1.00 31.37 O HETATM 3200 O HOH A1157 33.398 -12.293 7.257 1.00 52.78 O HETATM 3201 O HOH A1158 19.761 30.994 27.549 1.00 84.27 O HETATM 3202 O HOH A1159 39.431 -8.609 12.885 1.00 36.36 O HETATM 3203 O HOH A1160 31.217 12.844 9.704 1.00 37.24 O HETATM 3204 O HOH A1161 20.826 -0.580 29.648 1.00 40.99 O HETATM 3205 O HOH A1162 40.331 -0.228 10.124 1.00 29.90 O HETATM 3206 O HOH A1163 15.905 28.369 28.239 1.00 32.68 O HETATM 3207 O HOH A1164 22.035 26.031 24.040 1.00 27.51 O HETATM 3208 O HOH A1165 25.412 -12.353 4.932 1.00 45.42 O HETATM 3209 O HOH A1166 34.843 21.811 16.540 1.00 47.22 O HETATM 3210 O HOH A1167 28.513 20.031 12.996 1.00 26.25 O HETATM 3211 O HOH A1168 26.508 5.381 30.604 1.00 48.11 O HETATM 3212 O HOH A1169 44.318 5.375 21.290 1.00 39.40 O HETATM 3213 O HOH A1170 45.348 -6.336 23.954 1.00 48.34 O HETATM 3214 O HOH A1171 28.609 17.754 11.540 1.00 31.19 O HETATM 3215 O HOH A1172 32.178 -15.890 24.919 1.00 42.97 O HETATM 3216 O HOH A1173 32.549 6.065 10.118 1.00 23.84 O HETATM 3217 O HOH A1174 33.689 -8.876 34.004 1.00 67.17 O HETATM 3218 O HOH A1175 31.405 17.097 12.660 1.00 27.80 O HETATM 3219 O HOH A1176 27.070 18.914 30.146 1.00 24.53 O HETATM 3220 O HOH A1177 32.175 -6.598 32.618 1.00 30.21 O HETATM 3221 O HOH A1178 25.595 29.566 33.423 1.00 36.32 O HETATM 3222 O HOH A1179 31.851 -4.284 33.621 1.00 51.59 O HETATM 3223 O HOH A1180 35.366 3.079 -2.380 1.00 85.71 O HETATM 3224 O HOH A1181 22.575 0.577 -6.502 1.00 52.42 O HETATM 3225 O HOH A1182 38.999 3.368 14.788 1.00 26.39 O HETATM 3226 O HOH A1183 32.341 3.258 28.825 1.00 28.50 O HETATM 3227 O HOH A1184 20.024 9.342 10.248 1.00 27.62 O HETATM 3228 O HOH A1185 21.391 17.256 12.978 1.00 45.25 O HETATM 3229 O HOH A1186 23.606 18.813 36.041 1.00 52.27 O HETATM 3230 O HOH A1187 21.192 -8.457 29.872 1.00 48.94 O HETATM 3231 O HOH A1188 12.885 -2.523 27.385 1.00 43.41 O HETATM 3232 O HOH A1189 36.704 -12.707 22.971 1.00 45.95 O HETATM 3233 O HOH A1190 38.234 3.417 8.710 1.00 46.69 O HETATM 3234 O HOH A1191 40.028 4.840 25.966 1.00 41.83 O HETATM 3235 O HOH A1192 24.412 -8.545 15.427 1.00 42.58 O HETATM 3236 O HOH A1193 37.794 -8.443 31.709 1.00 48.55 O HETATM 3237 O HOH A1194 22.443 20.209 16.531 1.00 48.33 O HETATM 3238 O HOH A1195 23.371 -12.911 17.942 1.00 61.46 O HETATM 3239 O HOH A1196 38.935 -9.659 15.358 1.00 47.40 O HETATM 3240 O HOH A1197 16.539 22.653 35.182 1.00 51.60 O HETATM 3241 O HOH A1198 22.031 6.041 32.537 1.00 58.38 O HETATM 3242 O HOH A1199 21.815 -13.819 14.864 1.00 60.06 O HETATM 3243 O HOH A1200 35.679 17.923 15.476 1.00 55.01 O HETATM 3244 O HOH A1201 24.089 15.599 10.305 1.00 39.07 O HETATM 3245 O HOH A1202 30.769 -14.080 29.841 1.00 40.00 O HETATM 3246 O HOH A1203 33.492 15.422 12.170 1.00 44.52 O HETATM 3247 O HOH A1204 40.798 4.164 21.616 1.00 31.64 O HETATM 3248 O HOH A1205 28.825 -10.327 13.957 1.00 35.87 O HETATM 3249 O HOH A1206 21.348 -9.404 23.959 1.00 72.39 O HETATM 3250 O HOH A1207 20.220 -8.852 21.980 1.00 36.60 O HETATM 3251 O HOH A1208 30.512 23.594 26.100 1.00 32.09 O HETATM 3252 O HOH A1209 15.309 -4.933 27.636 1.00 38.62 O HETATM 3253 O HOH A1210 33.927 4.797 2.796 1.00 52.02 O HETATM 3254 O HOH A1211 39.864 4.904 29.814 1.00 40.51 O HETATM 3255 O HOH A1212 25.487 -18.154 13.400 1.00 56.30 O HETATM 3256 O HOH A1213 18.272 24.944 35.552 1.00 50.27 O HETATM 3257 O HOH A1214 18.207 -1.149 11.620 1.00 35.76 O HETATM 3258 O HOH A1215 30.835 -3.319 -12.809 1.00 47.24 O HETATM 3259 O HOH A1216 19.217 27.233 20.718 1.00 51.06 O HETATM 3260 O HOH A1217 17.796 -2.699 -7.482 1.00 60.43 O HETATM 3261 O HOH A1218 20.961 28.362 22.927 1.00 33.77 O HETATM 3262 O HOH A1219 22.775 22.506 20.488 1.00 37.02 O HETATM 3263 O HOH A1220 27.561 -11.276 33.278 1.00 53.20 O HETATM 3264 O HOH A1221 27.639 -15.408 4.131 1.00 56.82 O HETATM 3265 O HOH A1222 17.914 28.298 27.847 1.00102.11 O HETATM 3266 O HOH A1223 10.657 21.335 30.606 1.00 42.85 O HETATM 3267 O HOH A1224 28.532 17.810 34.628 1.00 44.01 O HETATM 3268 O HOH A1225 33.052 2.115 31.851 1.00 71.08 O HETATM 3269 O HOH A1226 5.835 19.285 30.354 1.00 45.15 O HETATM 3270 O HOH A1227 21.456 -13.162 35.981 1.00 65.60 O HETATM 3271 O HOH A1228 31.441 -5.119 0.962 1.00 50.33 O HETATM 3272 O HOH A1229 36.438 8.290 29.201 1.00 66.53 O HETATM 3273 O HOH A1230 29.231 -0.602 -8.412 1.00 58.92 O HETATM 3274 O HOH A1231 33.324 9.160 4.431 1.00 50.94 O HETATM 3275 O HOH A1232 36.024 19.405 18.386 1.00 64.49 O HETATM 3276 O HOH A1233 23.962 -12.305 -4.381 1.00 68.46 O HETATM 3277 O HOH A1234 23.372 -10.222 12.261 1.00 52.55 O HETATM 3278 O HOH A1235 40.766 3.178 23.821 1.00 42.63 O HETATM 3279 O HOH A1236 34.718 2.415 30.008 1.00 45.82 O HETATM 3280 O HOH A1237 30.161 9.880 34.202 1.00 45.74 O HETATM 3281 O HOH A1238 21.490 -9.493 6.058 1.00 38.14 O HETATM 3282 O HOH A1239 39.861 10.351 26.032 1.00 51.69 O HETATM 3283 O HOH A1240 34.553 6.118 31.097 1.00 56.80 O HETATM 3284 O HOH A1241 15.257 27.584 30.670 1.00 50.66 O HETATM 3285 O HOH A1242 23.021 -11.666 3.668 1.00 66.72 O HETATM 3286 O HOH A1243 34.335 23.364 25.938 1.00 44.02 O HETATM 3287 O HOH A1244 28.942 13.688 8.928 1.00 53.50 O HETATM 3288 O HOH A1245 14.849 1.967 12.360 1.00 38.01 O HETATM 3289 O HOH A1246 31.422 11.291 31.783 1.00 33.80 O HETATM 3290 O HOH A1247 18.450 13.912 34.437 1.00 48.63 O HETATM 3291 O HOH A1248 37.076 15.711 21.343 1.00 53.69 O HETATM 3292 O HOH A1249 31.685 13.949 31.803 1.00 34.42 O HETATM 3293 O HOH A1250 13.700 3.418 14.448 1.00 39.70 O HETATM 3294 O HOH A1251 22.939 10.897 3.721 1.00 37.54 O HETATM 3295 O HOH A1252 33.984 -12.551 18.682 1.00 56.61 O HETATM 3296 O HOH A1253 27.513 -5.350 31.332 1.00 41.63 O HETATM 3297 O HOH A1254 21.161 31.162 19.619 1.00 47.21 O HETATM 3298 O HOH A1255 33.957 -14.573 26.637 1.00 48.06 O HETATM 3299 O HOH A1256 30.039 9.687 29.970 1.00 24.00 O HETATM 3300 O HOH A1257 34.388 9.786 28.249 1.00 32.19 O HETATM 3301 O HOH A1258 34.945 20.567 14.820 1.00 49.04 O HETATM 3302 O HOH A1259 22.938 3.265 30.883 1.00 52.93 O HETATM 3303 O HOH A1260 22.242 30.530 21.875 1.00 42.52 O HETATM 3304 O HOH A1261 14.452 35.478 30.994 1.00 53.09 O HETATM 3305 O HOH A1262 28.873 17.675 31.673 1.00 31.57 O HETATM 3306 O HOH A1263 32.167 -18.126 26.106 1.00 57.74 O HETATM 3307 O HOH A1264 17.574 -10.960 -0.550 1.00 57.20 O HETATM 3308 O HOH A1265 37.783 13.422 20.315 1.00 49.84 O HETATM 3309 O HOH A1266 30.824 25.925 27.043 1.00 38.26 O HETATM 3310 O HOH A1267 31.590 6.949 7.636 1.00 29.61 O HETATM 3311 O HOH A1268 37.975 12.380 28.953 1.00 76.27 O HETATM 3312 O HOH A1269 32.900 9.458 7.085 1.00 39.84 O HETATM 3313 O HOH A1270 10.454 13.505 30.916 1.00 47.72 O HETATM 3314 O HOH A1271 37.276 -0.865 -12.078 1.00 38.66 O HETATM 3315 O HOH A1272 13.037 6.191 21.835 1.00 46.02 O HETATM 3316 O HOH A1273 18.181 11.718 4.270 1.00 56.66 O HETATM 3317 O HOH A1274 28.236 7.963 31.006 1.00 34.61 O HETATM 3318 O HOH A1275 22.676 22.772 17.963 1.00 62.87 O HETATM 3319 O HOH A1276 33.147 -14.878 29.673 1.00 53.59 O HETATM 3320 O HOH A1277 24.929 20.385 10.357 1.00 64.94 O HETATM 3321 O HOH A1278 44.744 5.589 23.638 1.00 52.74 O HETATM 3322 O HOH A1279 37.082 18.878 23.666 1.00 44.39 O HETATM 3323 O HOH A1280 24.353 5.900 32.436 1.00 60.07 O HETATM 3324 O HOH A1281 18.823 -6.617 29.855 1.00 64.07 O HETATM 3325 O HOH A1282 23.749 12.125 5.474 1.00 47.63 O HETATM 3326 O HOH A1283 35.867 22.167 23.571 1.00 50.98 O HETATM 3327 O HOH A1284 24.413 -1.221 30.796 1.00 49.03 O HETATM 3328 O HOH A1285 32.912 -19.954 23.224 1.00 41.36 O HETATM 3329 O HOH A1286 15.497 0.201 30.539 1.00 65.83 O HETATM 3330 O HOH A1287 34.569 20.250 20.570 1.00 34.17 O HETATM 3331 O HOH A1288 23.518 11.240 8.510 1.00 36.58 O HETATM 3332 O HOH A1289 13.033 8.566 31.034 1.00 50.77 O HETATM 3333 O HOH A1290 43.557 -8.468 19.338 1.00 47.10 O HETATM 3334 O HOH A1291 21.124 -2.558 -7.452 1.00 54.96 O HETATM 3335 O HOH A1292 34.007 14.978 30.027 1.00 27.54 O HETATM 3336 O HOH A1293 35.622 15.751 13.495 1.00 50.13 O HETATM 3337 O HOH A1294 40.864 -7.983 28.398 1.00 51.08 O HETATM 3338 O HOH A1295 16.320 10.420 10.534 1.00 39.84 O HETATM 3339 O HOH A1296 34.240 23.734 21.516 1.00 46.35 O HETATM 3340 O HOH A1297 21.355 -13.429 4.247 1.00 72.71 O HETATM 3341 O HOH A1298 40.251 6.886 22.159 1.00 40.43 O HETATM 3342 O HOH A1299 14.116 -0.380 21.760 1.00 51.40 O HETATM 3343 O HOH A1300 22.499 -8.241 13.096 1.00 57.76 O HETATM 3344 O HOH A1301 22.393 12.918 10.581 1.00 38.00 O HETATM 3345 O HOH A1302 35.890 -12.226 29.849 1.00 44.37 O HETATM 3346 O HOH A1303 22.208 9.014 8.450 1.00 29.36 O HETATM 3347 O HOH A1304 24.603 10.987 -5.888 1.00 53.23 O HETATM 3348 O HOH A1305 31.710 14.813 34.343 1.00 59.47 O HETATM 3349 O HOH A1306 31.916 5.925 29.847 1.00 29.19 O HETATM 3350 O HOH A1307 16.536 0.379 13.506 1.00 33.88 O HETATM 3351 O HOH A1308 25.249 -5.545 30.309 1.00 35.82 O HETATM 3352 O HOH A1309 33.271 17.630 33.440 1.00 43.06 O HETATM 3353 O HOH A1310 29.913 5.638 31.362 1.00 37.75 O HETATM 3354 O HOH A1311 35.009 12.307 29.485 1.00 38.03 O HETATM 3355 O HOH A1312 19.830 -15.285 2.649 1.00 58.62 O HETATM 3356 O HOH A1313 9.784 11.397 33.590 1.00 63.56 O HETATM 3357 O HOH A1314 14.500 7.220 32.820 1.00 50.48 O HETATM 3358 O HOH B1001 11.617 29.898 26.896 1.00133.64 O HETATM 3359 O HOH B1002 -12.987 14.098 10.644 1.00 34.78 O HETATM 3360 O HOH B1003 -5.862 18.244 2.724 1.00 62.30 O HETATM 3361 O HOH B1004 -15.757 5.677 12.963 1.00 55.78 O HETATM 3362 O HOH B1005 -2.751 17.707 30.339 1.00 45.03 O HETATM 3363 O HOH B1006 16.547 26.529 10.569 1.00 57.61 O HETATM 3364 O HOH B1007 -13.726 21.021 5.222 1.00 51.37 O HETATM 3365 O HOH B1008 -14.328 15.740 23.505 1.00 53.15 O HETATM 3366 O HOH B1009 -6.461 27.826 6.392 1.00 50.57 O HETATM 3367 O HOH B1010 1.699 9.247 21.967 1.00 52.77 O HETATM 3368 O HOH B1011 3.571 13.192 9.341 1.00 46.60 O HETATM 3369 O HOH B1012 -8.342 40.637 38.693 1.00 64.59 O HETATM 3370 O HOH B1013 -13.117 29.011 40.023 1.00 59.82 O HETATM 3371 O HOH B1014 -4.279 7.403 13.757 1.00 50.18 O HETATM 3372 O HOH B1015 -12.551 33.541 25.396 1.00 81.65 O HETATM 3373 O HOH B1016 8.192 19.719 5.253 1.00 63.46 O HETATM 3374 O HOH B1017 -9.074 6.031 15.275 1.00 70.97 O HETATM 3375 O HOH B1018 -6.226 34.604 25.050 1.00 39.49 O HETATM 3376 O HOH B1019 -0.009 19.024 35.882 1.00 36.39 O HETATM 3377 O HOH B1020 14.591 37.338 20.738 1.00 60.86 O HETATM 3378 O HOH B1021 3.869 17.994 28.444 1.00 35.51 O HETATM 3379 O HOH B1022 4.343 39.228 39.387 1.00 59.60 O HETATM 3380 O HOH B1023 -0.073 11.792 16.814 1.00 38.74 O HETATM 3381 O HOH B1024 10.246 21.972 4.766 1.00 43.12 O HETATM 3382 O HOH B1025 8.376 39.808 29.364 1.00 66.21 O HETATM 3383 O HOH B1026 -13.498 30.564 38.724 1.00 40.07 O HETATM 3384 O HOH B1027 -10.279 31.731 18.258 1.00 29.87 O HETATM 3385 O HOH B1028 8.515 34.208 31.068 1.00 46.08 O HETATM 3386 O HOH B1029 -11.426 33.530 29.254 1.00 56.54 O HETATM 3387 O HOH B1030 -21.314 13.218 11.846 1.00 48.00 O HETATM 3388 O HOH B1031 14.081 29.754 26.781 1.00 31.24 O HETATM 3389 O HOH B1032 -19.522 21.671 1.840 1.00 62.96 O HETATM 3390 O HOH B1033 1.762 26.719 3.365 1.00 48.90 O HETATM 3391 O HOH B1034 7.546 22.791 27.208 1.00 23.33 O HETATM 3392 O HOH B1035 -12.255 27.027 23.909 1.00 35.27 O HETATM 3393 O HOH B1036 -15.589 29.975 18.073 1.00 43.17 O HETATM 3394 O HOH B1037 -10.094 7.936 21.647 1.00 45.75 O HETATM 3395 O HOH B1038 1.566 40.924 32.448 1.00 58.16 O HETATM 3396 O HOH B1039 -23.250 15.125 6.776 1.00 49.20 O HETATM 3397 O HOH B1040 -15.846 25.727 26.803 1.00 39.75 O HETATM 3398 O HOH B1041 19.610 20.151 17.349 1.00 43.02 O HETATM 3399 O HOH B1042 -21.658 14.643 3.276 1.00 67.74 O HETATM 3400 O HOH B1043 3.562 18.968 26.000 1.00 26.62 O HETATM 3401 O HOH B1044 -11.670 31.033 11.435 1.00 34.52 O HETATM 3402 O HOH B1045 -1.945 11.774 27.193 1.00 50.30 O HETATM 3403 O HOH B1046 -0.420 34.092 17.916 1.00 43.07 O HETATM 3404 O HOH B1047 -10.201 11.075 1.127 1.00 47.52 O HETATM 3405 O HOH B1048 -16.432 24.700 35.347 1.00 49.55 O HETATM 3406 O HOH B1049 -13.903 31.175 15.483 1.00 43.58 O HETATM 3407 O HOH B1050 -12.013 22.184 22.824 1.00 31.22 O HETATM 3408 O HOH B1051 15.390 24.540 9.318 1.00 36.83 O HETATM 3409 O HOH B1052 -9.844 32.996 11.618 1.00 49.39 O HETATM 3410 O HOH B1053 0.871 11.479 27.644 1.00 38.10 O HETATM 3411 O HOH B1054 10.617 11.667 13.865 1.00 44.14 O HETATM 3412 O HOH B1055 -1.509 34.736 21.221 1.00 54.47 O HETATM 3413 O HOH B1056 -5.569 20.385 5.918 1.00 37.99 O HETATM 3414 O HOH B1057 13.049 30.504 19.652 1.00 48.46 O HETATM 3415 O HOH B1058 3.638 13.556 12.078 1.00 36.75 O HETATM 3416 O HOH B1059 3.300 24.738 32.719 1.00 29.36 O HETATM 3417 O HOH B1060 10.533 31.839 28.388 1.00 28.12 O HETATM 3418 O HOH B1061 -8.091 36.812 30.275 1.00 48.82 O HETATM 3419 O HOH B1062 -8.548 4.075 10.316 1.00 73.22 O HETATM 3420 O HOH B1063 -7.699 22.412 37.208 1.00 28.41 O HETATM 3421 O HOH B1064 -10.473 35.720 31.036 1.00 58.92 O HETATM 3422 O HOH B1065 -19.349 30.335 12.499 1.00 36.97 O HETATM 3423 O HOH B1066 15.413 23.983 16.218 1.00 40.48 O HETATM 3424 O HOH B1067 -0.881 16.516 6.773 1.00 24.34 O HETATM 3425 O HOH B1068 -14.619 15.767 11.956 1.00 33.97 O HETATM 3426 O HOH B1069 6.325 24.099 3.556 1.00 51.72 O HETATM 3427 O HOH B1070 1.643 19.540 38.419 1.00 59.20 O HETATM 3428 O HOH B1071 -14.932 4.516 9.300 1.00 56.06 O HETATM 3429 O HOH B1072 -12.785 14.879 16.098 1.00 26.61 O HETATM 3430 O HOH B1073 3.861 20.109 32.818 1.00 42.91 O HETATM 3431 O HOH B1074 14.984 34.017 27.011 1.00 34.40 O HETATM 3432 O HOH B1075 -0.164 10.116 20.808 1.00 39.87 O HETATM 3433 O HOH B1076 2.402 11.416 13.809 1.00 46.46 O HETATM 3434 O HOH B1077 -9.584 23.217 5.781 1.00 48.43 O HETATM 3435 O HOH B1078 -14.794 10.420 20.756 1.00 53.45 O HETATM 3436 O HOH B1079 -2.242 24.937 4.883 1.00 46.77 O HETATM 3437 O HOH B1080 7.156 14.637 9.380 1.00 47.66 O HETATM 3438 O HOH B1081 -14.380 15.896 19.294 1.00 35.53 O HETATM 3439 O HOH B1082 7.947 22.196 2.981 1.00 52.63 O HETATM 3440 O HOH B1083 -16.979 16.101 15.681 1.00 37.61 O HETATM 3441 O HOH B1084 8.064 15.298 4.927 1.00 58.94 O HETATM 3442 O HOH B1085 0.636 13.069 9.622 1.00 31.36 O HETATM 3443 O HOH B1086 11.122 18.064 22.226 1.00 22.45 O HETATM 3444 O HOH B1087 10.010 23.133 26.046 1.00 23.31 O HETATM 3445 O HOH B1088 -20.331 9.460 11.847 1.00 48.35 O HETATM 3446 O HOH B1089 13.288 31.278 7.069 1.00 49.44 O HETATM 3447 O HOH B1090 0.038 29.138 6.797 1.00 34.17 O HETATM 3448 O HOH B1091 -5.542 35.305 19.341 1.00 45.38 O HETATM 3449 O HOH B1092 11.663 13.196 19.601 1.00 33.83 O HETATM 3450 O HOH B1093 -7.746 31.152 19.229 1.00 23.45 O HETATM 3451 O HOH B1094 -2.250 5.364 9.714 1.00 62.74 O HETATM 3452 O HOH B1095 7.538 23.646 29.635 1.00 40.98 O HETATM 3453 O HOH B1096 -2.333 19.899 28.666 1.00 23.56 O HETATM 3454 O HOH B1097 10.351 38.385 30.983 1.00 43.05 O HETATM 3455 O HOH B1098 2.319 35.927 24.446 1.00 37.60 O HETATM 3456 O HOH B1099 13.452 38.468 27.376 1.00 32.70 O HETATM 3457 O HOH B1100 8.338 9.449 17.669 1.00 52.88 O HETATM 3458 O HOH B1101 -14.179 30.785 20.432 1.00 34.37 O HETATM 3459 O HOH B1102 -10.645 14.873 11.613 1.00 26.46 O HETATM 3460 O HOH B1103 -8.616 42.690 40.967 0.50 93.25 O HETATM 3461 O HOH B1104 9.208 9.620 22.487 1.00 32.27 O HETATM 3462 O HOH B1105 1.081 18.498 25.101 1.00 22.15 O HETATM 3463 O HOH B1106 -4.833 14.383 25.325 1.00 30.44 O HETATM 3464 O HOH B1107 -16.307 24.438 22.975 1.00 31.71 O HETATM 3465 O HOH B1108 6.742 37.577 30.024 1.00 37.00 O HETATM 3466 O HOH B1109 -4.387 36.812 24.779 1.00 49.29 O HETATM 3467 O HOH B1110 -26.914 17.930 7.043 1.00 37.65 O HETATM 3468 O HOH B1111 -7.832 33.805 32.130 1.00 26.25 O HETATM 3469 O HOH B1112 2.575 37.940 41.217 1.00 53.11 O HETATM 3470 O HOH B1113 5.222 37.333 14.089 1.00 46.28 O HETATM 3471 O HOH B1114 -5.891 30.491 41.207 1.00 45.51 O HETATM 3472 O HOH B1115 11.304 15.614 20.508 1.00 31.88 O HETATM 3473 O HOH B1116 15.458 29.683 19.487 1.00 52.14 O HETATM 3474 O HOH B1117 -10.153 1.866 9.315 1.00 75.49 O HETATM 3475 O HOH B1118 -13.651 30.437 23.183 1.00 48.09 O HETATM 3476 O HOH B1119 17.605 36.005 21.013 1.00 42.79 O HETATM 3477 O HOH B1120 11.247 28.464 0.867 1.00 47.77 O HETATM 3478 O HOH B1121 4.171 27.273 31.726 1.00 23.67 O HETATM 3479 O HOH B1122 10.811 15.648 5.426 1.00 57.53 O HETATM 3480 O HOH B1123 3.164 36.150 22.095 1.00 57.01 O HETATM 3481 O HOH B1124 14.040 25.751 3.053 1.00 57.25 O HETATM 3482 O HOH B1125 -4.322 10.591 23.282 1.00 34.22 O HETATM 3483 O HOH B1126 -0.069 36.124 8.224 1.00 54.22 O HETATM 3484 O HOH B1127 -10.650 31.201 24.745 1.00 25.74 O HETATM 3485 O HOH B1128 -9.378 12.371 11.545 1.00 26.20 O HETATM 3486 O HOH B1129 -17.010 14.936 13.369 1.00 34.48 O HETATM 3487 O HOH B1130 -6.007 22.421 26.126 1.00 25.38 O HETATM 3488 O HOH B1131 -6.253 9.859 6.401 1.00 38.73 O HETATM 3489 O HOH B1132 2.783 29.251 6.487 1.00 32.32 O HETATM 3490 O HOH B1133 -10.571 15.230 14.327 1.00 25.64 O HETATM 3491 O HOH B1134 6.963 32.964 37.508 1.00 42.94 O HETATM 3492 O HOH B1135 17.720 40.060 26.395 1.00 28.95 O HETATM 3493 O HOH B1136 -0.687 35.611 11.141 1.00 43.08 O HETATM 3494 O HOH B1137 9.135 28.885 41.006 1.00 53.56 O HETATM 3495 O HOH B1138 -6.851 20.330 38.871 1.00 38.08 O HETATM 3496 O HOH B1139 1.640 18.337 29.725 1.00 28.83 O HETATM 3497 O HOH B1140 -11.253 14.038 -2.637 1.00 58.63 O HETATM 3498 O HOH B1141 -24.662 20.304 8.933 1.00 31.09 O HETATM 3499 O HOH B1142 11.112 18.321 25.010 1.00 24.74 O HETATM 3500 O HOH B1143 0.718 36.578 41.673 1.00 49.75 O HETATM 3501 O HOH B1144 -11.023 10.311 22.057 1.00 28.54 O HETATM 3502 O HOH B1145 -18.401 30.644 20.710 1.00 94.57 O HETATM 3503 O HOH B1146 8.331 28.099 2.426 1.00 41.85 O HETATM 3504 O HOH B1147 6.646 28.549 34.611 1.00 39.80 O HETATM 3505 O HOH B1148 -25.246 16.031 3.607 1.00 55.52 O HETATM 3506 O HOH B1149 17.102 22.478 13.735 1.00 35.39 O HETATM 3507 O HOH B1150 -10.186 33.796 27.063 1.00 47.11 O HETATM 3508 O HOH B1151 7.726 16.489 20.339 1.00 23.64 O HETATM 3509 O HOH B1152 -9.480 12.037 23.461 1.00 31.45 O HETATM 3510 O HOH B1153 -6.379 32.871 17.628 1.00 27.22 O HETATM 3511 O HOH B1154 -11.434 21.226 6.635 1.00 38.58 O HETATM 3512 O HOH B1155 10.272 29.207 29.063 1.00 28.88 O HETATM 3513 O HOH B1156 -4.370 30.855 6.037 1.00 39.82 O HETATM 3514 O HOH B1157 -6.010 37.813 28.240 1.00 50.65 O HETATM 3515 O HOH B1158 12.128 43.495 23.249 1.00 52.03 O HETATM 3516 O HOH B1159 2.440 20.191 6.205 1.00 35.06 O HETATM 3517 O HOH B1160 -0.679 37.715 38.980 1.00 64.01 O HETATM 3518 O HOH B1161 -3.739 10.450 5.446 1.00 38.90 O HETATM 3519 O HOH B1162 -7.901 20.358 34.021 1.00 26.20 O HETATM 3520 O HOH B1163 10.538 28.232 31.175 1.00 83.01 O HETATM 3521 O HOH B1164 12.153 15.451 7.713 1.00 64.56 O HETATM 3522 O HOH B1165 -10.866 23.856 24.842 1.00 30.83 O HETATM 3523 O HOH B1166 -20.887 24.641 27.820 1.00 49.31 O HETATM 3524 O HOH B1167 -7.465 18.191 26.146 1.00 38.23 O HETATM 3525 O HOH B1168 1.786 35.193 19.711 1.00 73.19 O HETATM 3526 O HOH B1169 -15.845 32.352 9.336 1.00 53.93 O HETATM 3527 O HOH B1170 8.568 14.713 13.610 1.00 28.53 O HETATM 3528 O HOH B1171 6.247 30.537 3.599 1.00 39.89 O HETATM 3529 O HOH B1172 -11.810 16.289 24.964 1.00 39.52 O HETATM 3530 O HOH B1173 -17.864 30.426 33.097 1.00 47.16 O HETATM 3531 O HOH B1174 -6.892 10.714 22.745 1.00 26.03 O HETATM 3532 O HOH B1175 4.637 38.657 31.463 1.00 54.55 O HETATM 3533 O HOH B1176 -13.609 6.218 20.571 1.00 61.87 O HETATM 3534 O HOH B1177 -8.390 8.475 4.009 1.00 65.51 O HETATM 3535 O HOH B1178 -18.417 28.425 34.503 1.00 50.17 O HETATM 3536 O HOH B1179 -27.933 25.699 5.082 1.00 48.08 O HETATM 3537 O HOH B1180 8.007 35.080 33.259 1.00 48.34 O HETATM 3538 O HOH B1181 11.363 39.806 28.930 1.00 45.14 O HETATM 3539 O HOH B1182 19.434 18.636 10.775 1.00 60.86 O HETATM 3540 O HOH B1183 -3.455 21.772 4.526 1.00 50.41 O HETATM 3541 O HOH B1184 -25.519 20.543 3.826 1.00 46.01 O HETATM 3542 O HOH B1185 -17.523 12.602 15.053 1.00 48.61 O HETATM 3543 O HOH B1186 0.171 9.267 15.537 1.00 44.92 O HETATM 3544 O HOH B1187 9.104 13.862 29.047 1.00 49.09 O HETATM 3545 O HOH B1188 -20.068 29.113 31.677 1.00 59.05 O HETATM 3546 O HOH B1189 1.797 37.777 28.985 1.00 38.24 O HETATM 3547 O HOH B1190 -21.064 12.929 5.705 1.00 48.67 O HETATM 3548 O HOH B1191 -14.803 18.231 23.123 1.00 54.58 O HETATM 3549 O HOH B1192 -11.163 7.298 14.019 1.00 43.17 O HETATM 3550 O HOH B1193 2.715 16.847 4.189 1.00 55.63 O HETATM 3551 O HOH B1194 -1.362 36.277 14.163 1.00 66.45 O HETATM 3552 O HOH B1195 9.345 15.556 11.700 1.00 50.22 O HETATM 3553 O HOH B1196 -7.969 40.048 35.898 1.00 73.93 O HETATM 3554 O HOH B1197 0.671 40.345 30.077 1.00 64.78 O HETATM 3555 O HOH B1198 -12.420 31.307 8.589 1.00 50.77 O HETATM 3556 O HOH B1199 -20.106 12.528 -1.876 1.00 61.02 O HETATM 3557 O HOH B1200 -10.198 32.852 22.643 1.00 40.75 O HETATM 3558 O HOH B1201 3.278 10.869 16.622 1.00 48.17 O HETATM 3559 O HOH B1202 1.217 37.726 26.440 1.00 54.27 O HETATM 3560 O HOH B1203 8.723 30.920 36.568 1.00 64.39 O HETATM 3561 O HOH B1204 -17.165 28.838 25.930 1.00 59.79 O HETATM 3562 O HOH B1205 1.005 31.973 46.621 1.00 48.95 O HETATM 3563 O HOH B1206 -0.409 6.796 7.564 1.00 59.76 O HETATM 3564 O HOH B1207 -9.279 20.768 31.538 1.00 30.18 O HETATM 3565 O HOH B1208 -3.421 13.851 3.972 1.00 45.91 O HETATM 3566 O HOH B1209 9.353 30.206 32.795 1.00 56.70 O HETATM 3567 O HOH B1210 -11.742 32.413 20.288 1.00 36.38 O HETATM 3568 O HOH B1211 -3.280 16.518 5.367 1.00 35.24 O HETATM 3569 O HOH B1212 -7.674 20.191 3.989 1.00 48.79 O HETATM 3570 O HOH B1213 -15.846 13.823 18.842 1.00 42.31 O HETATM 3571 O HOH B1214 -5.076 26.186 4.182 1.00 62.03 O HETATM 3572 O HOH B1215 -3.001 14.735 27.471 1.00 45.86 O HETATM 3573 O HOH B1216 -4.574 16.292 29.386 1.00 41.06 O HETATM 3574 O HOH B1217 -13.475 10.180 23.324 1.00 66.40 O HETATM 3575 O HOH B1218 -4.210 39.292 29.603 1.00 46.89 O HETATM 3576 O HOH B1219 -4.169 8.865 25.256 1.00 46.57 O HETATM 3577 O HOH B1220 -4.660 6.467 18.333 1.00 54.84 O HETATM 3578 O HOH B1221 -5.567 14.576 31.482 1.00 60.57 O HETATM 3579 O HOH B1222 -0.767 15.746 27.803 1.00 36.48 O HETATM 3580 O HOH B1223 -2.294 36.664 22.921 1.00 49.93 O HETATM 3581 O HOH B1224 -9.999 21.532 4.255 1.00 77.94 O HETATM 3582 O HOH B1225 -0.237 18.551 27.559 1.00 25.10 O HETATM 3583 O HOH B1226 -2.020 40.630 29.819 1.00 60.12 O HETATM 3584 O HOH B1227 -3.782 19.132 4.181 1.00 54.01 O HETATM 3585 O HOH B1228 -2.080 8.849 27.307 1.00 56.01 O HETATM 3586 O HOH B1229 -9.870 21.073 35.970 1.00 35.93 O HETATM 3587 O HOH B1230 -14.151 30.622 13.130 1.00 43.40 O HETATM 3588 O HOH B1231 -0.282 13.604 6.901 1.00 39.88 O HETATM 3589 O HOH B1232 -1.590 39.961 40.851 1.00 64.90 O HETATM 3590 O HOH B1233 6.692 39.424 33.906 1.00 62.29 O HETATM 3591 O HOH B1234 15.136 36.529 28.238 1.00 35.93 O HETATM 3592 O HOH B1235 -5.663 33.114 23.312 1.00 38.88 O HETATM 3593 O HOH B1236 3.498 30.804 4.163 1.00 41.37 O HETATM 3594 O HOH B1237 -14.214 34.009 23.765 1.00 53.49 O HETATM 3595 O HOH B1238 -22.658 11.229 0.965 1.00 65.87 O HETATM 3596 O HOH B1239 -17.016 31.257 16.249 1.00 61.20 O HETATM 3597 O HOH B1240 13.199 32.102 28.022 1.00 30.40 O HETATM 3598 O HOH B1241 17.838 31.095 19.054 1.00 69.35 O HETATM 3599 O HOH B1242 14.337 46.429 17.707 1.00 48.96 O HETATM 3600 O HOH B1243 -7.556 8.027 22.661 1.00 47.42 O HETATM 3601 O HOH B1244 -9.365 20.281 26.582 1.00 44.07 O HETATM 3602 O HOH B1245 16.525 26.974 20.164 1.00 41.84 O HETATM 3603 O HOH B1246 6.333 12.907 12.926 1.00 54.09 O HETATM 3604 O HOH B1247 -2.631 8.996 21.583 1.00 49.93 O HETATM 3605 O HOH B1248 -4.404 28.691 4.999 1.00 70.94 O HETATM 3606 O HOH B1249 -8.856 22.835 26.595 1.00 25.35 O HETATM 3607 O HOH B1250 4.366 10.443 8.802 1.00 57.94 O HETATM 3608 O HOH B1251 -11.433 19.675 24.413 1.00 39.59 O HETATM 3609 O HOH B1252 -7.698 32.999 21.474 1.00 34.38 O HETATM 3610 O HOH B1253 -1.318 20.212 3.861 1.00 53.42 O HETATM 3611 O HOH B1254 -9.927 34.269 17.090 1.00 45.78 O HETATM 3612 O HOH B1255 9.639 35.811 36.377 1.00 78.63 O HETATM 3613 O HOH B1256 0.667 18.358 5.321 1.00 33.82 O HETATM 3614 O HOH B1257 8.125 35.013 38.780 1.00 62.19 O HETATM 3615 O HOH B1258 -20.678 6.288 18.116 1.00 70.14 O HETATM 3616 O HOH B1259 0.621 34.303 -0.524 1.00 79.92 O HETATM 3617 O HOH B1260 -4.607 7.229 20.714 1.00 53.64 O HETATM 3618 O HOH B1261 -10.993 35.332 13.855 1.00 72.93 O HETATM 3619 O HOH B1262 19.842 12.854 7.051 1.00 56.06 O HETATM 3620 O HOH B1263 -13.119 21.758 27.665 1.00 46.88 O HETATM 3621 O HOH B1264 -12.401 35.536 20.124 1.00 61.32 O HETATM 3622 O HOH B1265 -8.099 7.377 25.543 1.00 59.44 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