USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=94 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZ2 TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 98) 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 5PZ2 0 JRNL AUTH N.M.PEARCE,T.KROJER,A.R.BRADLEY,P.COLLINS,R.NOWAK,R.TALON, JRNL AUTH 2 B.MARSDEN,S.KELM,J.SHI,D.DEANE,F.VON DELFT JRNL TITL A MULTI-CRYSTAL METHOD FOR EXTRACTING OBSCURED JRNL TITL 2 CRYSTALLOGRAPHIC STATES FROM CONVENTIONALLY UNINTERPRETABLE JRNL TITL 3 ELECTRON DENSITY JRNL REF NAT COMMUN 2017 JRNL REFN ESSN 2041-1723 REMARK 2 REMARK 2 RESOLUTION. 1.88 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0135 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.88 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.07 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 3 NUMBER OF REFLECTIONS : 35666 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) : 0.163 REMARK 3 R VALUE (WORKING SET) : 0.162 REMARK 3 FREE R VALUE : 0.198 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1861 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.88 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.93 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2632 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.67 REMARK 3 BIN R VALUE (WORKING SET) : 0.2620 REMARK 3 BIN FREE R VALUE SET COUNT : 138 REMARK 3 BIN FREE R VALUE : 0.3100 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) : 35.13 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.72000 REMARK 3 B22 (A**2) : 0.34000 REMARK 3 B33 (A**2) : 0.31000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.11000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.129 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.122 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.089 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.130 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.969 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.959 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.019 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.784 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.075 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.374 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.716 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.408 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;16.013 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.127 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.657 ; 3.178 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.655 ; 3.174 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.669 ; 4.735 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 5PZ2 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_1001401292. 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 : 37527 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.880 REMARK 200 RESOLUTION RANGE LOW (A) : 39.070 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.4 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.06400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.88 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.93 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.1 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.61200 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 (%): 55.54 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 63.90500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.76500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.90500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.76500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 700 REMARK 465 LYS A 879 REMARK 465 THR B 877 REMARK 465 SER B 878 REMARK 465 LYS B 879 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 737 CG CD CE NZ REMARK 470 GLU B 700 CG CD OE1 OE2 REMARK 470 GLU B 756 CG CD OE1 OE2 REMARK 470 SER B 757 OG REMARK 470 GLN B 758 CG CD OE1 NE2 REMARK 470 SER B 759 OG REMARK 470 ARG B 803 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 804 CG CD OE1 OE2 REMARK 470 SER B 806 OG REMARK 470 GLN B 807 CG CD OE1 NE2 REMARK 470 GLU B 876 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 803 O HOH A 1001 1.89 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.99 REMARK 500 O HOH A 1172 O HOH A 1237 2.03 REMARK 500 O HOH B 1146 O HOH B 1190 2.07 REMARK 500 O HOH A 1163 O HOH A 1273 2.12 REMARK 500 O HOH A 1133 O HOH A 1237 2.14 REMARK 500 O HOH B 1009 O HOH B 1013 2.15 REMARK 500 O2 EDO B 903 O HOH B 1001 2.16 REMARK 500 O HOH A 1213 O HOH A 1244 2.16 REMARK 500 OD1 ASP A 862 O HOH A 1003 2.17 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 1067 O HOH B 1067 2556 0.77 REMARK 500 O HOH B 1252 O HOH B 1252 2555 1.59 REMARK 500 O HOH A 1044 O HOH A 1185 1565 2.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 780 CD GLU A 780 OE2 0.074 REMARK 500 GLU B 780 CD GLU B 780 OE2 0.094 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 803 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG A 803 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -3.7 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 -128.54 -114.02 REMARK 500 LYS A 737 101.10 66.78 REMARK 500 ARG A 849 -111.60 50.02 REMARK 500 ASN B 738 106.81 -167.99 REMARK 500 SER B 757 -169.28 -59.30 REMARK 500 GLN B 758 40.75 -66.95 REMARK 500 TYR B 801 -98.70 -116.63 REMARK 500 GLU B 804 -96.06 -133.96 REMARK 500 ARG B 849 -110.11 51.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 PRO B 755 GLU B 756 145.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1315 DISTANCE = 6.25 ANGSTROMS REMARK 525 HOH A1316 DISTANCE = 6.26 ANGSTROMS REMARK 525 HOH B1260 DISTANCE = 6.05 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 6.07 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 6.10 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.78 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 705 SG REMARK 620 2 CYS A 708 SG 111.2 REMARK 620 3 HIS A 725 ND1 97.7 98.5 REMARK 620 4 CYS A 728 SG 111.6 119.7 115.3 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 111.4 REMARK 620 3 CYS A 742 SG 109.7 106.2 REMARK 620 4 CYS A 745 SG 106.1 105.2 118.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 705 SG REMARK 620 2 CYS B 708 SG 114.4 REMARK 620 3 HIS B 725 ND1 103.2 97.3 REMARK 620 4 CYS B 728 SG 112.2 115.6 112.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 717 SG REMARK 620 2 CYS B 720 SG 111.4 REMARK 620 3 CYS B 742 SG 113.0 107.0 REMARK 620 4 CYS B 745 SG 106.3 104.2 114.6 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 5PZ2 A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZ2 B 700 879 UNP P23497 SP100_HUMAN 700 879 SEQRES 1 A 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 A 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 A 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 A 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 A 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 A 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 A 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 A 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 A 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 A 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 A 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 A 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 A 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 A 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS SEQRES 1 B 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 B 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 B 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 B 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 B 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 B 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 B 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 B 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 B 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 B 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 B 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 B 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 B 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 B 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS HET ZN A 901 1 HET ZN A 902 1 HET ZN A 903 1 HET MES A 904 12 HET EDO A 905 4 HET ZN B 901 1 HET ZN B 902 1 HET EDO B 903 4 HETNAM ZN ZINC ION HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN 5(ZN 2+) FORMUL 6 MES C6 H13 N O4 S FORMUL 7 EDO 2(C2 H6 O2) FORMUL 11 HOH *579(H2 O) HELIX 1 AA1 CYS A 742 CYS A 754 1 13 HELIX 2 AA2 PRO A 755 SER A 759 5 5 HELIX 3 AA3 GLN A 762 ARG A 769 1 8 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 GLU B 752 1 11 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 CYS B 788 1 17 HELIX 13 AB4 ASP B 789 LYS B 791 5 3 HELIX 14 AB5 SER B 792 SER B 797 1 6 HELIX 15 AB6 TRP B 814 GLU B 824 1 11 HELIX 16 AB7 ARG B 829 ARG B 849 1 21 HELIX 17 AB8 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 LEU B 714 CYS B 716 0 SHEET 2 AA2 2 SER B 723 HIS B 725 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.26 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.34 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.27 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.16 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.22 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.25 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.48 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.41 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.25 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.36 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.13 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.34 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.17 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.26 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.41 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.33 CISPEP 1 ILE A 730 PRO A 731 0 -7.43 CISPEP 2 ASN A 738 PRO A 739 0 -12.95 CISPEP 3 ILE B 730 PRO B 731 0 -14.63 CISPEP 4 ASN B 738 PRO B 739 0 9.33 CISPEP 5 ARG B 803 GLU B 804 0 -10.56 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 3 ARG A 753 CYS A 754 GLU A 756 SITE *** AC4 13 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 13 HOH A1044 HOH A1045 HOH A1122 HOH A1133 SITE *** AC4 13 HOH A1155 HOH A1237 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 A1026 SITE *** AC5 6 HOH A1115 HOH A1244 SITE *** AC6 4 CYS B 705 CYS B 708 HIS B 725 CYS B 728 SITE *** AC7 4 CYS B 717 CYS B 720 CYS B 742 CYS B 745 SITE *** AC8 6 MES A 904 ARG B 746 PRO B 773 GLU B 774 SITE *** AC8 6 HOH B1001 HOH B1025 CRYST1 127.810 45.530 83.620 90.00 102.08 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.007824 0.000000 0.001674 0.00000 SCALE2 0.000000 0.021964 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012230 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 725 HIS HD1 : A 725 HIS ND1 : A 901 ZNZN :(H bumps) USER MOD NoAdj-H: B 725 HIS HD1 : B 725 HIS ND1 : B 901 ZNZN :(H bumps) USER MOD Set 1.1: B 762 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.1) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.25,f=-0.33) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 172:sc= 0.324 (180deg=0) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.281 K(o=0.6,f=-2.2) USER MOD Set 3.1: B 842 HIS : no HD1:sc= -0.178 X(o=1.8,f=1.9) USER MOD Set 3.2: B 843 ASN : amide:sc= 1.94 K(o=1.8,f=-0.05) USER MOD Set 4.1: B 813 MET CE :methyl 164:sc= -0.541 (180deg=-0.679) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -154:sc= 0 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot -12:sc= 1.23 USER MOD Set 5.2: B 816 ASN : amide:sc= 2.06 X(o=3.3,f=2.8) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -169:sc= 0.397 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.36 K(o=1.8,f=-0.8) USER MOD Set 7.1: B 771 MET CE :methyl 167:sc= 0 (180deg=-0.15) USER MOD Set 7.2: B 779 CYS SG : rot 139:sc= 0.362 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.637 K(o=1.4,f=-1.6) USER MOD Set 8.2: B 732 SER OG : rot -123:sc= 0.745 USER MOD Set 9.1: B 716 CYS SG A: rot -63:sc= 0.101 USER MOD Set 9.2: B 723 SER OG : rot 144:sc= 1.35 USER MOD Set10.1: B 719 THR OG1 : rot 81:sc= 1.97 USER MOD Set10.2: B 741 SER OG : rot -64:sc= 1.23 USER MOD Set11.1: A 791 LYS NZ :NH3+ -169:sc= 1.55 (180deg=0.834) USER MOD Set11.2: A 859 GLN : amide:sc= 0.45 K(o=2,f=-1.3) USER MOD Set12.1: A 787 TYR OH : rot -13:sc= 1.25 USER MOD Set12.2: A 816 ASN : amide:sc= 1.86 K(o=3.1,f=2.5) USER MOD Set13.1: A 771 MET CE :methyl 179:sc= 0 (180deg=-0.00274) USER MOD Set13.2: A 779 CYS SG : rot -100:sc= 0.4 USER MOD Set14.1: A 727 HIS : no HD1:sc= 0.898 K(o=2.1,f=-3.6!) USER MOD Set14.2: A 732 SER OG : rot -122:sc= 1.25 USER MOD Set15.1: A 719 THR OG1 : rot 83:sc= 2.25 USER MOD Set15.2: A 741 SER OG : rot -85:sc= 1.25 USER MOD Set16.1: A 716 CYS SG : rot -43:sc= -0.249 USER MOD Set16.2: A 723 SER OG : rot 145:sc= 1.16 USER MOD Single : A 701 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.79) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 709 ASN : amide:sc= 0.278 X(o=0.28,f=0.0084) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.79 K(o=1.8,f=-8.2!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 738 ASN : amide:sc= -0.756 K(o=-0.76,f=-2.6!) USER MOD Single : A 748 LYS NZ :NH3+ -174:sc=-0.00314 (180deg=-0.038) USER MOD Single : A 749 THR OG1 : rot 75:sc= 0.175 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 754 CYS SG A: rot 8:sc= 0.417 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.487 USER MOD Single : A 757 SER OG : rot -81:sc= 2.21 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 169:sc= 1.28 USER MOD Single : A 761 HIS : no HE2:sc= -0.67 K(o=-0.67,f=-1.6) USER MOD Single : A 762 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 764 SER OG : rot -82:sc= 0.0967 USER MOD Single : A 768 MET CE :methyl 175:sc=-0.00541 (180deg=-0.0508) USER MOD Single : A 770 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 776 GLN : amide:sc= 2.79 K(o=2.8,f=0.04) USER MOD Single : A 778 LYS NZ A:NH3+ 163:sc= -1.56 (180deg=-1.87) USER MOD Single : A 778 LYS NZ B:NH3+ 169:sc= 1.36 (180deg=1.27) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 63:sc= 0.0475 USER MOD Single : A 790 SER OG : rot -97:sc=0.000232 USER MOD Single : A 792 SER OG : rot -82:sc= 1.87 USER MOD Single : A 793 CYS SG : rot 170:sc= -0.201 USER MOD Single : A 797 SER OG : rot 100:sc= 0.497 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 19:sc= 2.3 USER MOD Single : A 802 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.9!) USER MOD Single : A 806 SER OG : rot -154:sc= 0.974 USER MOD Single : A 807 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.64) USER MOD Single : A 810 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.12) USER MOD Single : A 811 LYS NZ :NH3+ -148:sc= 0.165 (180deg=0.0202) USER MOD Single : A 813 MET CE :methyl 166:sc= -0.0159 (180deg=-0.377) USER MOD Single : A 817 LYS NZ :NH3+ 165:sc= -0.0375 (180deg=-0.278) USER MOD Single : A 819 LYS NZ :NH3+ 174:sc= 0.96 (180deg=0.942) USER MOD Single : A 820 THR OG1 : rot 85:sc= 0.00342 USER MOD Single : A 821 SER OG : rot 77:sc= 0.114 USER MOD Single : A 823 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 825 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 826 MET CE A:methyl -156:sc= -0.16 (180deg=-0.712) USER MOD Single : A 826 MET CE B:methyl -128:sc= -2.12 (180deg=-3.25!) USER MOD Single : A 827 TYR OH : rot 14:sc= 1.34 USER MOD Single : A 828 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 837 MET CE :methyl -162:sc= -0.0441 (180deg=-0.32) USER MOD Single : A 842 HIS : no HE2:sc= 1.62 K(o=1.6,f=-6.6!) USER MOD Single : A 843 ASN : amide:sc= 2.95 K(o=2.9,f=0.65) USER MOD Single : A 844 HIS : no HD1:sc= 1.31 K(o=1.3,f=-3.7!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 TYR OH : rot 30:sc= 0.896 USER MOD Single : A 852 LYS NZ :NH3+ -153:sc= 0.662 (180deg=0.134) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -79:sc= 0.17 USER MOD Single : A 861 GLN : amide:sc= 0.057 X(o=0.057,f=-0.23) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.56 K(o=2.6,f=0.96) USER MOD Single : A 870 ASN : amide:sc= 1.04 K(o=1,f=0.25) USER MOD Single : A 875 GLN : amide:sc= 0.0771 X(o=0.077,f=-0.14) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.00646 USER MOD Single : A 905 EDO O1 : rot -60:sc= 1.02 USER MOD Single : A 905 EDO O2 : rot -170:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.96) USER MOD Single : B 702 SER OG : rot 172:sc= 0.123 USER MOD Single : B 703 ASN : amide:sc= 0.283 K(o=0.28,f=-4.2!) USER MOD Single : B 709 ASN : amide:sc= 0.0368 X(o=0.037,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 13:sc= 0.7 USER MOD Single : B 729 HIS : no HE2:sc= 1.54 K(o=1.5,f=-7.9!) USER MOD Single : B 736 ASN : amide:sc=-0.00484 K(o=-0.0048,f=-1.8) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 78:sc= 0.00213 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.0331 X(o=0.033,f=-0.24) 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 177:sc= -0.404 (180deg=-0.408) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 776 GLN : amide:sc= 2.27 K(o=2.3,f=-0.5) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 67:sc= 0.146 USER MOD Single : B 790 SER OG : rot -81:sc= 0 USER MOD Single : B 792 SER OG : rot -83:sc= 1.76 USER MOD Single : B 793 CYS SG : rot 180:sc= 0 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.26 USER MOD Single : B 801 TYR OH : rot -38:sc= 2.06 USER MOD Single : B 802 ASN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -168:sc= 0.169 (180deg=0.142) USER MOD Single : B 819 LYS NZ :NH3+ -177:sc= 0.345 (180deg=0.34) USER MOD Single : B 820 THR OG1 : rot 91:sc= 0.106 USER MOD Single : B 821 SER OG : rot 74:sc= 0.208 USER MOD Single : B 823 ASN : amide:sc= 1.04 X(o=1,f=1.2) USER MOD Single : B 825 GLN : amide:sc= 1.38 K(o=1.4,f=-2.3!) USER MOD Single : B 826 MET CE A:methyl -149:sc= 0 (180deg=-0.0219) USER MOD Single : B 826 MET CE B:methyl 170:sc= -0.116 (180deg=-0.205) USER MOD Single : B 827 TYR OH : rot 7:sc= 1.27 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 837 MET CE :methyl -155:sc= -0.0337 (180deg=-0.258) USER MOD Single : B 844 HIS : no HD1:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : B 845 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0132) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.832 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 -77:sc= 1.24 USER MOD Single : B 861 GLN : amide:sc= 0.0617 X(o=0.062,f=-0.16) USER MOD Single : B 866 LYS NZ :NH3+ -173:sc= 1.17 (180deg=0.875) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot -108:sc= 0.0722 USER MOD Single : B 903 EDO O2 : rot -21:sc= 0.328 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.601 -4.986 -4.030 1.00 51.83 N ATOM 2 CA ASN A 701 15.177 -4.033 -3.008 1.00 57.77 C ATOM 3 C ASN A 701 14.136 -3.023 -2.510 1.00 57.48 C ATOM 4 O ASN A 701 13.184 -2.675 -3.222 1.00 50.68 O ATOM 5 CB ASN A 701 16.401 -3.250 -3.541 1.00 59.47 C ATOM 6 CG ASN A 701 17.645 -4.108 -3.688 1.00 70.11 C ATOM 7 OD1 ASN A 701 18.014 -4.443 -4.810 1.00 80.05 O ATOM 8 ND2 ASN A 701 18.334 -4.430 -2.563 1.00 61.71 N ATOM 0 HA ASN A 701 15.461 -4.598 -2.272 1.00 57.77 H new ATOM 0 HB2 ASN A 701 16.179 -2.863 -4.402 1.00 59.47 H new ATOM 0 HB3 ASN A 701 16.593 -2.514 -2.940 1.00 59.47 H new ATOM 0 HD21 ASN A 701 19.061 -4.887 -2.620 1.00 61.71 H new ATOM 0 HD22 ASN A 701 18.044 -4.177 -1.794 1.00 61.71 H new ATOM 9 N SER A 702 14.354 -2.530 -1.296 1.00 50.06 N ATOM 10 CA SER A 702 13.541 -1.471 -0.716 1.00 46.78 C ATOM 11 C SER A 702 13.694 -0.197 -1.566 1.00 43.28 C ATOM 12 O SER A 702 14.733 0.006 -2.191 1.00 43.31 O ATOM 13 CB SER A 702 13.989 -1.203 0.744 1.00 46.10 C ATOM 14 OG SER A 702 13.091 -0.324 1.460 1.00 44.58 O ATOM 0 H SER A 702 14.986 -2.805 -0.781 1.00 50.06 H new ATOM 0 HA SER A 702 12.609 -1.740 -0.707 1.00 46.78 H new ATOM 0 HB2 SER A 702 14.052 -2.047 1.217 1.00 46.10 H new ATOM 0 HB3 SER A 702 14.877 -0.814 0.738 1.00 46.10 H new ATOM 0 HG SER A 702 13.374 -0.211 2.243 1.00 44.58 H new ATOM 15 N ASN A 703 12.655 0.643 -1.553 1.00 45.15 N ATOM 16 CA ASN A 703 12.593 1.942 -2.250 1.00 47.92 C ATOM 17 C ASN A 703 12.878 3.112 -1.360 1.00 43.70 C ATOM 18 O ASN A 703 12.835 4.255 -1.832 1.00 37.00 O ATOM 19 CB ASN A 703 11.166 2.171 -2.813 1.00 57.32 C ATOM 20 CG ASN A 703 10.717 1.038 -3.707 1.00 78.07 C ATOM 21 OD1 ASN A 703 11.545 0.301 -4.278 1.00 92.52 O ATOM 22 ND2 ASN A 703 9.404 0.868 -3.827 1.00 89.27 N ATOM 0 H ASN A 703 11.933 0.467 -1.120 1.00 45.15 H new ATOM 0 HA ASN A 703 13.270 1.894 -2.943 1.00 47.92 H new ATOM 0 HB2 ASN A 703 10.541 2.267 -2.077 1.00 57.32 H new ATOM 0 HB3 ASN A 703 11.147 3.002 -3.312 1.00 57.32 H new ATOM 0 HD21 ASN A 703 9.096 0.229 -4.314 1.00 89.27 H new ATOM 0 HD22 ASN A 703 8.863 1.397 -3.418 1.00 89.27 H new ATOM 23 N ILE A 704 13.185 2.848 -0.071 1.00 38.98 N ATOM 24 CA ILE A 704 13.652 3.889 0.850 1.00 34.79 C ATOM 25 C ILE A 704 14.949 3.438 1.569 1.00 31.91 C ATOM 26 O ILE A 704 15.173 2.256 1.745 1.00 29.88 O ATOM 27 CB ILE A 704 12.562 4.293 1.879 1.00 38.53 C ATOM 28 CG1 ILE A 704 12.069 3.083 2.668 1.00 40.82 C ATOM 29 CG2 ILE A 704 11.369 4.921 1.147 1.00 46.19 C ATOM 30 CD1 ILE A 704 11.165 3.397 3.831 1.00 41.64 C ATOM 0 H ILE A 704 13.126 2.066 0.282 1.00 38.98 H new ATOM 0 HA ILE A 704 13.848 4.677 0.319 1.00 34.79 H new ATOM 0 HB ILE A 704 12.956 4.930 2.495 1.00 38.53 H new ATOM 0 HG12 ILE A 704 11.597 2.491 2.062 1.00 40.82 H new ATOM 0 HG13 ILE A 704 12.840 2.596 2.999 1.00 40.82 H new ATOM 0 HG21 ILE A 704 10.689 5.173 1.792 1.00 46.19 H new ATOM 0 HG22 ILE A 704 11.664 5.709 0.664 1.00 46.19 H new ATOM 0 HG23 ILE A 704 10.999 4.279 0.521 1.00 46.19 H new ATOM 0 HD11 ILE A 704 10.904 2.572 4.270 1.00 41.64 H new ATOM 0 HD12 ILE A 704 11.635 3.964 4.462 1.00 41.64 H new ATOM 0 HD13 ILE A 704 10.373 3.857 3.511 1.00 41.64 H new ATOM 31 N CYS A 705 15.755 4.415 1.924 1.00 29.11 N ATOM 32 CA CYS A 705 16.957 4.246 2.781 1.00 31.05 C ATOM 33 C CYS A 705 16.614 3.567 4.095 1.00 28.63 C ATOM 34 O CYS A 705 15.692 3.941 4.793 1.00 24.00 O ATOM 35 CB CYS A 705 17.596 5.570 3.030 1.00 31.28 C ATOM 36 SG CYS A 705 19.170 5.573 3.988 1.00 27.40 S ATOM 0 H CYS A 705 15.631 5.229 1.675 1.00 29.11 H new ATOM 0 HA CYS A 705 17.583 3.674 2.311 1.00 31.05 H new ATOM 0 HB2 CYS A 705 17.765 5.989 2.172 1.00 31.28 H new ATOM 0 HB3 CYS A 705 16.957 6.130 3.498 1.00 31.28 H new ATOM 37 N GLU A 706 17.411 2.555 4.439 1.00 24.88 N ATOM 38 CA GLU A 706 17.202 1.802 5.634 1.00 28.33 C ATOM 39 C GLU A 706 17.394 2.658 6.898 1.00 24.38 C ATOM 40 O GLU A 706 16.789 2.372 7.862 1.00 23.19 O ATOM 41 CB GLU A 706 18.190 0.618 5.672 1.00 29.85 C ATOM 42 CG GLU A 706 17.942 -0.329 6.819 1.00 32.41 C ATOM 43 CD GLU A 706 16.804 -1.290 6.526 1.00 38.88 C ATOM 44 OE1 GLU A 706 16.126 -1.179 5.480 1.00 50.57 O ATOM 45 OE2 GLU A 706 16.623 -2.211 7.308 1.00 39.88 O ATOM 0 H GLU A 706 18.086 2.298 3.973 1.00 24.88 H new ATOM 0 HA GLU A 706 16.286 1.484 5.625 1.00 28.33 H new ATOM 0 HB2 GLU A 706 18.130 0.128 4.837 1.00 29.85 H new ATOM 0 HB3 GLU A 706 19.095 0.962 5.734 1.00 29.85 H new ATOM 0 HG2 GLU A 706 18.751 -0.833 7.002 1.00 32.41 H new ATOM 0 HG3 GLU A 706 17.737 0.180 7.619 1.00 32.41 H new ATOM 46 N VAL A 707 18.282 3.624 6.844 1.00 24.51 N ATOM 47 CA VAL A 707 18.688 4.446 7.982 1.00 25.17 C ATOM 48 C VAL A 707 17.714 5.607 8.205 1.00 27.71 C ATOM 49 O VAL A 707 17.183 5.773 9.296 1.00 26.40 O ATOM 50 CB VAL A 707 20.101 4.989 7.767 1.00 23.81 C ATOM 51 CG1 VAL A 707 20.563 5.856 8.932 1.00 24.29 C ATOM 52 CG2 VAL A 707 21.076 3.793 7.590 1.00 24.93 C ATOM 0 H VAL A 707 18.688 3.836 6.116 1.00 24.51 H new ATOM 0 HA VAL A 707 18.677 3.884 8.772 1.00 25.17 H new ATOM 0 HB VAL A 707 20.094 5.547 6.974 1.00 23.81 H new ATOM 0 HG11 VAL A 707 21.461 6.180 8.758 1.00 24.29 H new ATOM 0 HG12 VAL A 707 19.961 6.610 9.033 1.00 24.29 H new ATOM 0 HG13 VAL A 707 20.562 5.330 9.747 1.00 24.29 H new ATOM 0 HG21 VAL A 707 21.976 4.127 7.453 1.00 24.93 H new ATOM 0 HG22 VAL A 707 21.055 3.238 8.385 1.00 24.93 H new ATOM 0 HG23 VAL A 707 20.806 3.266 6.821 1.00 24.93 H new ATOM 53 N CYS A 708 17.474 6.399 7.160 1.00 28.41 N ATOM 54 CA CYS A 708 16.686 7.640 7.326 1.00 27.47 C ATOM 55 C CYS A 708 15.251 7.542 6.784 1.00 30.94 C ATOM 56 O CYS A 708 14.504 8.497 6.921 1.00 28.87 O ATOM 57 CB CYS A 708 17.410 8.823 6.731 1.00 28.06 C ATOM 58 SG CYS A 708 17.307 8.745 4.928 1.00 28.97 S ATOM 0 H CYS A 708 17.749 6.247 6.359 1.00 28.41 H new ATOM 0 HA CYS A 708 16.598 7.772 8.283 1.00 27.47 H new ATOM 0 HB2 CYS A 708 17.017 9.650 7.052 1.00 28.06 H new ATOM 0 HB3 CYS A 708 18.338 8.822 7.012 1.00 28.06 H new ATOM 59 N ASN A 709 14.877 6.394 6.211 1.00 29.23 N ATOM 60 CA ASN A 709 13.551 6.115 5.711 1.00 34.40 C ATOM 61 C ASN A 709 13.000 7.074 4.657 1.00 36.82 C ATOM 62 O ASN A 709 11.784 7.142 4.533 1.00 35.00 O ATOM 63 CB ASN A 709 12.566 6.034 6.855 1.00 35.34 C ATOM 64 CG ASN A 709 12.942 4.955 7.818 1.00 42.34 C ATOM 65 OD1 ASN A 709 13.415 5.233 8.924 1.00 42.06 O ATOM 66 ND2 ASN A 709 12.828 3.715 7.376 1.00 42.96 N ATOM 0 H ASN A 709 15.420 5.736 6.104 1.00 29.23 H new ATOM 0 HA ASN A 709 13.655 5.266 5.254 1.00 34.40 H new ATOM 0 HB2 ASN A 709 12.533 6.886 7.317 1.00 35.34 H new ATOM 0 HB3 ASN A 709 11.676 5.865 6.507 1.00 35.34 H new ATOM 0 HD21 ASN A 709 13.089 3.058 7.866 1.00 42.96 H new ATOM 0 HD22 ASN A 709 12.492 3.565 6.599 1.00 42.96 H new ATOM 67 N LYS A 710 13.889 7.796 3.959 1.00 33.37 N ATOM 68 CA LYS A 710 13.575 8.632 2.783 1.00 35.93 C ATOM 69 C LYS A 710 14.015 7.965 1.457 1.00 38.83 C ATOM 70 O LYS A 710 14.979 7.148 1.382 1.00 32.44 O ATOM 71 CB LYS A 710 14.267 9.975 2.885 1.00 34.33 C ATOM 72 CG LYS A 710 13.906 10.780 4.130 1.00 40.81 C ATOM 73 CD LYS A 710 12.464 11.211 4.146 1.00 43.27 C ATOM 74 CE LYS A 710 12.201 12.275 5.204 1.00 46.44 C ATOM 75 NZ LYS A 710 11.951 11.640 6.520 1.00 55.72 N ATOM 0 H LYS A 710 14.724 7.814 4.164 1.00 33.37 H new ATOM 0 HA LYS A 710 12.611 8.743 2.776 1.00 35.93 H new ATOM 0 HB2 LYS A 710 15.227 9.833 2.872 1.00 34.33 H new ATOM 0 HB3 LYS A 710 14.047 10.500 2.099 1.00 34.33 H new ATOM 0 HG2 LYS A 710 14.089 10.247 4.919 1.00 40.81 H new ATOM 0 HG3 LYS A 710 14.475 11.564 4.179 1.00 40.81 H new ATOM 0 HD2 LYS A 710 12.220 11.556 3.273 1.00 43.27 H new ATOM 0 HD3 LYS A 710 11.899 10.441 4.314 1.00 43.27 H new ATOM 0 HE2 LYS A 710 12.962 12.874 5.266 1.00 46.44 H new ATOM 0 HE3 LYS A 710 11.436 12.814 4.947 1.00 46.44 H new ATOM 0 HZ1 LYS A 710 11.799 12.270 7.130 1.00 55.72 H new ATOM 0 HZ2 LYS A 710 11.241 11.106 6.462 1.00 55.72 H new ATOM 0 HZ3 LYS A 710 12.663 11.162 6.759 1.00 55.72 H new ATOM 76 N TRP A 711 13.304 8.331 0.384 1.00 34.60 N ATOM 77 CA TRP A 711 13.725 8.020 -0.962 1.00 32.00 C ATOM 78 C TRP A 711 14.836 8.982 -1.352 1.00 30.60 C ATOM 79 O TRP A 711 15.269 9.850 -0.550 1.00 40.68 O ATOM 80 CB TRP A 711 12.498 8.033 -1.908 1.00 37.64 C ATOM 81 CG TRP A 711 12.773 7.726 -3.307 1.00 35.63 C ATOM 82 CD1 TRP A 711 13.087 6.523 -3.838 1.00 38.82 C ATOM 83 CD2 TRP A 711 12.745 8.652 -4.390 1.00 33.72 C ATOM 84 NE1 TRP A 711 13.297 6.647 -5.184 1.00 37.65 N ATOM 85 CE2 TRP A 711 13.078 7.946 -5.544 1.00 32.74 C ATOM 86 CE3 TRP A 711 12.468 10.017 -4.490 1.00 30.97 C ATOM 87 CZ2 TRP A 711 13.134 8.557 -6.804 1.00 35.95 C ATOM 88 CZ3 TRP A 711 12.528 10.614 -5.748 1.00 33.99 C ATOM 89 CH2 TRP A 711 12.821 9.879 -6.873 1.00 29.79 C ATOM 0 H TRP A 711 12.564 8.767 0.429 1.00 34.60 H new ATOM 0 HA TRP A 711 14.094 7.125 -1.030 1.00 32.00 H new ATOM 0 HB2 TRP A 711 11.848 7.394 -1.576 1.00 37.64 H new ATOM 0 HB3 TRP A 711 12.084 8.909 -1.862 1.00 37.64 H new ATOM 0 HD1 TRP A 711 13.151 5.728 -3.359 1.00 38.82 H new ATOM 0 HE1 TRP A 711 13.529 6.012 -5.716 1.00 37.65 H new ATOM 0 HE3 TRP A 711 12.249 10.515 -3.736 1.00 30.97 H new ATOM 0 HZ2 TRP A 711 13.376 8.077 -7.563 1.00 35.95 H new ATOM 0 HZ3 TRP A 711 12.367 11.526 -5.828 1.00 33.99 H new ATOM 0 HH2 TRP A 711 12.805 10.297 -7.703 1.00 29.79 H new ATOM 90 N GLY A 712 15.416 8.737 -2.526 1.00 30.69 N ATOM 91 CA GLY A 712 16.465 9.558 -3.093 1.00 26.71 C ATOM 92 C GLY A 712 17.396 8.674 -3.951 1.00 27.18 C ATOM 93 O GLY A 712 16.964 7.649 -4.506 1.00 31.30 O ATOM 0 H GLY A 712 15.199 8.069 -3.023 1.00 30.69 H new ATOM 0 HA2 GLY A 712 16.080 10.263 -3.636 1.00 26.71 H new ATOM 0 HA3 GLY A 712 16.971 9.988 -2.386 1.00 26.71 H new ATOM 94 N ARG A 713 18.636 9.112 -4.089 1.00 31.89 N ATOM 95 CA ARG A 713 19.708 8.343 -4.750 1.00 34.49 C ATOM 96 C ARG A 713 20.180 7.188 -3.816 1.00 33.68 C ATOM 97 O ARG A 713 20.929 7.410 -2.906 1.00 34.73 O ATOM 98 CB ARG A 713 20.850 9.284 -5.111 1.00 38.19 C ATOM 99 CG ARG A 713 22.056 8.638 -5.802 1.00 46.68 C ATOM 100 CD ARG A 713 21.674 7.881 -7.073 1.00 57.97 C ATOM 101 NE ARG A 713 22.749 7.033 -7.584 1.00 68.99 N ATOM 102 CZ ARG A 713 22.682 5.717 -7.829 1.00 72.97 C ATOM 103 NH1 ARG A 713 23.774 5.102 -8.283 1.00 75.71 N ATOM 104 NH2 ARG A 713 21.570 5.001 -7.629 1.00 68.53 N ATOM 0 H ARG A 713 18.895 9.879 -3.799 1.00 31.89 H new ATOM 0 HA ARG A 713 19.378 7.941 -5.569 1.00 34.49 H new ATOM 0 HB2 ARG A 713 20.502 9.980 -5.690 1.00 38.19 H new ATOM 0 HB3 ARG A 713 21.158 9.717 -4.300 1.00 38.19 H new ATOM 0 HG2 ARG A 713 22.704 9.325 -6.022 1.00 46.68 H new ATOM 0 HG3 ARG A 713 22.489 8.028 -5.185 1.00 46.68 H new ATOM 0 HD2 ARG A 713 20.895 7.332 -6.893 1.00 57.97 H new ATOM 0 HD3 ARG A 713 21.420 8.519 -7.758 1.00 57.97 H new ATOM 0 HE ARG A 713 23.501 7.418 -7.744 1.00 68.99 H new ATOM 0 HH11 ARG A 713 24.497 5.549 -8.411 1.00 75.71 H new ATOM 0 HH12 ARG A 713 23.755 4.258 -8.447 1.00 75.71 H new ATOM 0 HH21 ARG A 713 20.860 5.384 -7.332 1.00 68.53 H new ATOM 0 HH22 ARG A 713 21.565 4.158 -7.798 1.00 68.53 H new ATOM 105 N LEU A 714 19.674 5.998 -4.059 1.00 33.35 N ATOM 106 CA LEU A 714 19.878 4.851 -3.236 1.00 33.68 C ATOM 107 C LEU A 714 20.839 3.866 -3.917 1.00 42.17 C ATOM 108 O LEU A 714 20.810 3.699 -5.139 1.00 41.47 O ATOM 109 CB LEU A 714 18.557 4.146 -3.006 1.00 29.99 C ATOM 110 CG LEU A 714 17.513 4.979 -2.326 1.00 30.30 C ATOM 111 CD1 LEU A 714 16.242 4.196 -2.307 1.00 28.81 C ATOM 112 CD2 LEU A 714 17.885 5.412 -0.918 1.00 32.46 C ATOM 0 H LEU A 714 19.179 5.838 -4.744 1.00 33.35 H new ATOM 0 HA LEU A 714 20.256 5.145 -2.392 1.00 33.68 H new ATOM 0 HB2 LEU A 714 18.210 3.849 -3.862 1.00 29.99 H new ATOM 0 HB3 LEU A 714 18.717 3.351 -2.473 1.00 29.99 H new ATOM 0 HG LEU A 714 17.420 5.803 -2.829 1.00 30.30 H new ATOM 0 HD11 LEU A 714 15.548 4.715 -1.871 1.00 28.81 H new ATOM 0 HD12 LEU A 714 15.971 3.996 -3.217 1.00 28.81 H new ATOM 0 HD13 LEU A 714 16.379 3.368 -1.821 1.00 28.81 H new ATOM 0 HD21 LEU A 714 17.166 5.944 -0.543 1.00 32.46 H new ATOM 0 HD22 LEU A 714 18.029 4.628 -0.365 1.00 32.46 H new ATOM 0 HD23 LEU A 714 18.698 5.941 -0.946 1.00 32.46 H new ATOM 113 N PHE A 715 21.695 3.248 -3.103 1.00 41.41 N ATOM 114 CA PHE A 715 22.510 2.079 -3.484 1.00 37.50 C ATOM 115 C PHE A 715 21.912 0.812 -2.899 1.00 37.32 C ATOM 116 O PHE A 715 21.605 0.732 -1.739 1.00 40.53 O ATOM 117 CB PHE A 715 23.889 2.339 -3.041 1.00 37.29 C ATOM 118 CG PHE A 715 24.450 3.585 -3.633 1.00 42.97 C ATOM 119 CD1 PHE A 715 25.177 3.539 -4.827 1.00 46.38 C ATOM 120 CD2 PHE A 715 24.213 4.803 -3.057 1.00 48.01 C ATOM 121 CE1 PHE A 715 25.697 4.689 -5.381 1.00 50.24 C ATOM 122 CE2 PHE A 715 24.743 5.966 -3.602 1.00 51.79 C ATOM 123 CZ PHE A 715 25.491 5.906 -4.772 1.00 52.07 C ATOM 0 H PHE A 715 21.825 3.500 -2.291 1.00 41.41 H new ATOM 0 HA PHE A 715 22.519 1.942 -4.444 1.00 37.50 H new ATOM 0 HB2 PHE A 715 23.908 2.407 -2.074 1.00 37.29 H new ATOM 0 HB3 PHE A 715 24.451 1.587 -3.284 1.00 37.29 H new ATOM 0 HD1 PHE A 715 25.311 2.723 -5.252 1.00 46.38 H new ATOM 0 HD2 PHE A 715 23.690 4.853 -2.290 1.00 48.01 H new ATOM 0 HE1 PHE A 715 26.189 4.642 -6.169 1.00 50.24 H new ATOM 0 HE2 PHE A 715 24.597 6.784 -3.184 1.00 51.79 H new ATOM 0 HZ PHE A 715 25.849 6.681 -5.140 1.00 52.07 H new ATOM 124 N CYS A 716 21.730 -0.205 -3.708 1.00 34.13 N ATOM 125 CA CYS A 716 21.042 -1.380 -3.304 1.00 33.31 C ATOM 126 C CYS A 716 22.029 -2.476 -2.879 1.00 37.03 C ATOM 127 O CYS A 716 23.086 -2.603 -3.467 1.00 45.10 O ATOM 128 CB CYS A 716 20.146 -1.883 -4.433 1.00 47.57 C ATOM 129 SG CYS A 716 18.591 -0.963 -4.635 1.00 52.99 S ATOM 0 H CYS A 716 22.011 -0.224 -4.521 1.00 34.13 H new ATOM 0 HA CYS A 716 20.488 -1.159 -2.539 1.00 33.31 H new ATOM 0 HB2 CYS A 716 20.642 -1.843 -5.266 1.00 47.57 H new ATOM 0 HB3 CYS A 716 19.937 -2.816 -4.272 1.00 47.57 H new ATOM 0 HG CYS A 716 18.105 -0.756 -3.557 1.00 52.99 H new ATOM 130 N CYS A 717 21.689 -3.213 -1.826 1.00 36.78 N ATOM 131 CA CYS A 717 22.517 -4.340 -1.411 1.00 43.67 C ATOM 132 C CYS A 717 22.260 -5.511 -2.374 1.00 42.94 C ATOM 133 O CYS A 717 21.102 -5.810 -2.687 1.00 43.91 O ATOM 134 CB CYS A 717 22.160 -4.797 0.000 1.00 38.40 C ATOM 135 SG CYS A 717 23.248 -6.123 0.662 1.00 36.47 S ATOM 0 H CYS A 717 20.990 -3.079 -1.343 1.00 36.78 H new ATOM 0 HA CYS A 717 23.447 -4.063 -1.425 1.00 43.67 H new ATOM 0 HB2 CYS A 717 22.199 -4.033 0.596 1.00 38.40 H new ATOM 0 HB3 CYS A 717 21.243 -5.113 0.004 1.00 38.40 H new ATOM 136 N ASP A 718 23.319 -6.222 -2.730 1.00 45.60 N ATOM 137 CA ASP A 718 23.187 -7.403 -3.601 1.00 47.06 C ATOM 138 C ASP A 718 22.777 -8.655 -2.837 1.00 49.96 C ATOM 139 O ASP A 718 22.183 -9.548 -3.423 1.00 53.88 O ATOM 140 CB ASP A 718 24.436 -7.564 -4.459 1.00 48.93 C ATOM 141 CG ASP A 718 24.505 -6.512 -5.556 1.00 48.59 C ATOM 142 OD1 ASP A 718 23.507 -6.437 -6.277 1.00 64.41 O ATOM 143 OD2 ASP A 718 25.501 -5.743 -5.717 1.00 52.33 O ATOM 0 H ASP A 718 24.124 -6.046 -2.484 1.00 45.60 H new ATOM 0 HA ASP A 718 22.448 -7.257 -4.213 1.00 47.06 H new ATOM 0 HB2 ASP A 718 25.225 -7.499 -3.898 1.00 48.93 H new ATOM 0 HB3 ASP A 718 24.443 -8.448 -4.858 1.00 48.93 H new ATOM 144 N THR A 719 22.999 -8.728 -1.520 1.00 44.84 N ATOM 145 CA THR A 719 22.675 -9.950 -0.804 1.00 41.24 C ATOM 146 C THR A 719 21.485 -9.877 0.076 1.00 40.93 C ATOM 147 O THR A 719 21.202 -10.826 0.769 1.00 42.08 O ATOM 148 CB THR A 719 23.901 -10.469 -0.030 1.00 48.44 C ATOM 149 OG1 THR A 719 24.575 -9.390 0.657 1.00 42.55 O ATOM 150 CG2 THR A 719 24.870 -11.087 -1.044 1.00 49.06 C ATOM 0 H THR A 719 23.328 -8.095 -1.039 1.00 44.84 H new ATOM 0 HA THR A 719 22.428 -10.584 -1.495 1.00 41.24 H new ATOM 0 HB THR A 719 23.612 -11.119 0.629 1.00 48.44 H new ATOM 0 HG1 THR A 719 24.191 -9.241 1.389 1.00 42.55 H new ATOM 0 HG21 THR A 719 25.653 -11.422 -0.580 1.00 49.06 H new ATOM 0 HG22 THR A 719 24.431 -11.818 -1.507 1.00 49.06 H new ATOM 0 HG23 THR A 719 25.140 -10.413 -1.687 1.00 49.06 H new ATOM 151 N CYS A 720 20.813 -8.740 0.113 1.00 39.58 N ATOM 152 CA CYS A 720 19.612 -8.579 0.942 1.00 39.07 C ATOM 153 C CYS A 720 18.853 -7.419 0.307 1.00 31.33 C ATOM 154 O CYS A 720 19.432 -6.698 -0.456 1.00 36.74 O ATOM 155 CB CYS A 720 19.913 -8.295 2.444 1.00 39.75 C ATOM 156 SG CYS A 720 20.394 -6.569 2.899 1.00 36.98 S ATOM 0 H CYS A 720 21.031 -8.039 -0.335 1.00 39.58 H new ATOM 0 HA CYS A 720 19.103 -9.405 0.959 1.00 39.07 H new ATOM 0 HB2 CYS A 720 19.126 -8.533 2.958 1.00 39.75 H new ATOM 0 HB3 CYS A 720 20.626 -8.890 2.725 1.00 39.75 H new ATOM 157 N PRO A 721 17.577 -7.234 0.638 1.00 35.96 N ATOM 158 CA PRO A 721 16.763 -6.185 0.031 1.00 39.64 C ATOM 159 C PRO A 721 16.890 -4.751 0.588 1.00 45.29 C ATOM 160 O PRO A 721 16.046 -3.904 0.245 1.00 42.58 O ATOM 161 CB PRO A 721 15.339 -6.673 0.291 1.00 38.77 C ATOM 162 CG PRO A 721 15.411 -7.487 1.509 1.00 41.19 C ATOM 163 CD PRO A 721 16.824 -7.978 1.665 1.00 40.26 C ATOM 0 HA PRO A 721 17.047 -6.079 -0.890 1.00 39.64 H new ATOM 0 HB2 PRO A 721 14.731 -5.926 0.407 1.00 38.77 H new ATOM 0 HB3 PRO A 721 15.008 -7.195 -0.457 1.00 38.77 H new ATOM 0 HG2 PRO A 721 15.148 -6.963 2.282 1.00 41.19 H new ATOM 0 HG3 PRO A 721 14.797 -8.236 1.452 1.00 41.19 H new ATOM 0 HD2 PRO A 721 17.166 -7.799 2.555 1.00 40.26 H new ATOM 0 HD3 PRO A 721 16.884 -8.936 1.525 1.00 40.26 H new ATOM 164 N ARG A 722 17.912 -4.440 1.382 1.00 34.74 N ATOM 165 CA ARG A 722 18.062 -3.057 1.880 1.00 34.80 C ATOM 166 C ARG A 722 18.696 -2.142 0.921 1.00 30.44 C ATOM 167 O ARG A 722 19.548 -2.521 0.127 1.00 34.75 O ATOM 168 CB ARG A 722 18.907 -3.017 3.184 1.00 33.42 C ATOM 169 CG ARG A 722 18.288 -3.782 4.329 1.00 32.93 C ATOM 170 CD ARG A 722 19.267 -3.960 5.472 1.00 32.25 C ATOM 171 NE ARG A 722 18.648 -4.600 6.621 1.00 30.16 N ATOM 172 CZ ARG A 722 18.752 -5.894 6.940 1.00 31.74 C ATOM 173 NH1 ARG A 722 19.447 -6.729 6.195 1.00 34.42 N ATOM 174 NH2 ARG A 722 18.176 -6.333 8.016 1.00 34.11 N ATOM 0 H ARG A 722 18.518 -4.992 1.643 1.00 34.74 H new ATOM 0 HA ARG A 722 17.153 -2.758 2.037 1.00 34.80 H new ATOM 0 HB2 ARG A 722 19.788 -3.380 3.001 1.00 33.42 H new ATOM 0 HB3 ARG A 722 19.031 -2.093 3.452 1.00 33.42 H new ATOM 0 HG2 ARG A 722 17.501 -3.312 4.646 1.00 32.93 H new ATOM 0 HG3 ARG A 722 17.992 -4.651 4.016 1.00 32.93 H new ATOM 0 HD2 ARG A 722 20.020 -4.493 5.172 1.00 32.25 H new ATOM 0 HD3 ARG A 722 19.618 -3.095 5.734 1.00 32.25 H new ATOM 0 HE ARG A 722 18.174 -4.104 7.140 1.00 30.16 H new ATOM 0 HH11 ARG A 722 19.845 -6.445 5.488 1.00 34.42 H new ATOM 0 HH12 ARG A 722 19.503 -7.558 6.416 1.00 34.42 H new ATOM 0 HH21 ARG A 722 17.732 -5.793 8.517 1.00 34.11 H new ATOM 0 HH22 ARG A 722 18.238 -7.164 8.228 1.00 34.11 H new ATOM 175 N SER A 723 18.338 -0.876 1.040 1.00 27.81 N ATOM 176 CA SER A 723 18.994 0.204 0.277 1.00 28.21 C ATOM 177 C SER A 723 19.432 1.351 1.139 1.00 28.19 C ATOM 178 O SER A 723 18.810 1.557 2.193 1.00 31.18 O ATOM 179 CB SER A 723 17.995 0.716 -0.836 1.00 33.27 C ATOM 180 OG SER A 723 17.325 -0.445 -1.455 1.00 36.00 O ATOM 0 H SER A 723 17.710 -0.606 1.562 1.00 27.81 H new ATOM 0 HA SER A 723 19.799 -0.162 -0.121 1.00 28.21 H new ATOM 0 HB2 SER A 723 17.337 1.313 -0.446 1.00 33.27 H new ATOM 0 HB3 SER A 723 18.475 1.223 -1.509 1.00 33.27 H new ATOM 0 HG SER A 723 16.535 -0.239 -1.655 1.00 36.00 H new ATOM 181 N PHE A 724 20.433 2.112 0.677 1.00 25.25 N ATOM 182 CA PHE A 724 21.053 3.184 1.412 1.00 26.43 C ATOM 183 C PHE A 724 21.369 4.376 0.600 1.00 27.68 C ATOM 184 O PHE A 724 21.905 4.277 -0.500 1.00 27.33 O ATOM 185 CB PHE A 724 22.404 2.727 2.070 1.00 24.72 C ATOM 186 CG PHE A 724 22.229 1.533 2.944 1.00 26.39 C ATOM 187 CD1 PHE A 724 22.126 0.280 2.386 1.00 25.80 C ATOM 188 CD2 PHE A 724 22.100 1.670 4.362 1.00 23.29 C ATOM 189 CE1 PHE A 724 21.905 -0.855 3.170 1.00 28.54 C ATOM 190 CE2 PHE A 724 21.854 0.531 5.120 1.00 26.38 C ATOM 191 CZ PHE A 724 21.804 -0.739 4.535 1.00 26.20 C ATOM 0 H PHE A 724 20.772 2.002 -0.106 1.00 25.25 H new ATOM 0 HA PHE A 724 20.387 3.420 2.076 1.00 26.43 H new ATOM 0 HB2 PHE A 724 23.049 2.525 1.374 1.00 24.72 H new ATOM 0 HB3 PHE A 724 22.771 3.457 2.593 1.00 24.72 H new ATOM 0 HD1 PHE A 724 22.205 0.186 1.464 1.00 25.80 H new ATOM 0 HD2 PHE A 724 22.179 2.503 4.768 1.00 23.29 H new ATOM 0 HE1 PHE A 724 21.826 -1.690 2.767 1.00 28.54 H new ATOM 0 HE2 PHE A 724 21.720 0.615 6.036 1.00 26.38 H new ATOM 0 HZ PHE A 724 21.703 -1.497 5.065 1.00 26.20 H new ATOM 192 N HIS A 725 21.206 5.544 1.207 1.00 28.08 N ATOM 193 CA HIS A 725 21.905 6.666 0.682 1.00 28.23 C ATOM 194 C HIS A 725 23.389 6.435 0.910 1.00 32.88 C ATOM 195 O HIS A 725 23.811 5.760 1.890 1.00 28.21 O ATOM 196 CB HIS A 725 21.522 7.982 1.341 1.00 32.49 C ATOM 197 CG HIS A 725 20.119 8.404 1.080 1.00 34.20 C ATOM 198 ND1 HIS A 725 19.138 8.320 2.030 1.00 33.32 N ATOM 199 CD2 HIS A 725 19.520 8.920 -0.024 1.00 40.24 C ATOM 200 CE1 HIS A 725 17.996 8.778 1.558 1.00 33.04 C ATOM 201 NE2 HIS A 725 18.194 9.138 0.299 1.00 37.19 N ATOM 0 H HIS A 725 20.713 5.691 1.896 1.00 28.08 H new ATOM 0 HA HIS A 725 21.675 6.741 -0.257 1.00 28.23 H new ATOM 0 HB2 HIS A 725 21.654 7.904 2.299 1.00 32.49 H new ATOM 0 HB3 HIS A 725 22.122 8.677 1.028 1.00 32.49 H new ATOM 0 HD2 HIS A 725 19.925 9.094 -0.843 1.00 40.24 H new ATOM 0 HE1 HIS A 725 17.194 8.838 2.026 1.00 33.04 H new ATOM 0 HE2 HIS A 725 17.596 9.455 -0.231 1.00 37.19 H new ATOM 202 N GLU A 726 24.169 7.056 0.044 1.00 32.92 N ATOM 203 CA GLU A 726 25.613 6.985 0.080 1.00 37.42 C ATOM 204 C GLU A 726 26.243 7.237 1.464 1.00 35.12 C ATOM 205 O GLU A 726 27.035 6.423 1.907 1.00 35.57 O ATOM 206 CB GLU A 726 26.222 7.991 -0.909 1.00 38.25 C ATOM 207 CG GLU A 726 27.747 8.018 -0.928 1.00 44.52 C ATOM 208 CD GLU A 726 28.347 8.930 -1.998 1.00 53.97 C ATOM 209 OE1 GLU A 726 27.604 9.756 -2.571 1.00 55.93 O ATOM 210 OE2 GLU A 726 29.575 8.817 -2.258 1.00 56.21 O ATOM 0 H GLU A 726 23.864 7.542 -0.597 1.00 32.92 H new ATOM 0 HA GLU A 726 25.817 6.068 -0.162 1.00 37.42 H new ATOM 0 HB2 GLU A 726 25.903 7.783 -1.801 1.00 38.25 H new ATOM 0 HB3 GLU A 726 25.897 8.879 -0.691 1.00 38.25 H new ATOM 0 HG2 GLU A 726 28.066 8.305 -0.058 1.00 44.52 H new ATOM 0 HG3 GLU A 726 28.074 7.115 -1.067 1.00 44.52 H new ATOM 211 N HIS A 727 25.965 8.375 2.079 1.00 29.60 N ATOM 212 CA HIS A 727 26.519 8.705 3.422 1.00 32.05 C ATOM 213 C HIS A 727 25.655 8.330 4.627 1.00 26.89 C ATOM 214 O HIS A 727 25.984 8.648 5.741 1.00 28.74 O ATOM 215 CB HIS A 727 26.800 10.192 3.477 1.00 35.98 C ATOM 216 CG HIS A 727 27.804 10.615 2.467 1.00 44.66 C ATOM 217 ND1 HIS A 727 28.966 9.903 2.245 1.00 50.48 N ATOM 218 CD2 HIS A 727 27.823 11.650 1.602 1.00 52.47 C ATOM 219 CE1 HIS A 727 29.664 10.484 1.287 1.00 57.53 C ATOM 220 NE2 HIS A 727 28.995 11.552 0.885 1.00 61.36 N ATOM 0 H HIS A 727 25.456 8.984 1.748 1.00 29.60 H new ATOM 0 HA HIS A 727 27.316 8.158 3.504 1.00 32.05 H new ATOM 0 HB2 HIS A 727 25.974 10.680 3.333 1.00 35.98 H new ATOM 0 HB3 HIS A 727 27.117 10.426 4.363 1.00 35.98 H new ATOM 0 HD2 HIS A 727 27.169 12.305 1.508 1.00 52.47 H new ATOM 0 HE1 HIS A 727 30.482 10.194 0.953 1.00 57.53 H new ATOM 0 HE2 HIS A 727 29.251 12.099 0.273 1.00 61.36 H new ATOM 221 N CYS A 728 24.555 7.663 4.394 1.00 24.59 N ATOM 222 CA CYS A 728 23.758 7.052 5.464 1.00 24.54 C ATOM 223 C CYS A 728 24.392 5.665 5.836 1.00 24.84 C ATOM 224 O CYS A 728 24.482 5.303 7.002 1.00 24.55 O ATOM 225 CB CYS A 728 22.309 6.877 5.038 1.00 26.52 C ATOM 226 SG CYS A 728 21.257 8.439 5.150 1.00 28.52 S ATOM 0 H CYS A 728 24.232 7.542 3.606 1.00 24.59 H new ATOM 0 HA CYS A 728 23.764 7.636 6.239 1.00 24.54 H new ATOM 0 HB2 CYS A 728 22.291 6.555 4.123 1.00 26.52 H new ATOM 0 HB3 CYS A 728 21.904 6.189 5.589 1.00 26.52 H new ATOM 227 N HIS A 729 24.857 4.931 4.846 1.00 23.39 N ATOM 228 CA HIS A 729 25.605 3.714 5.128 1.00 23.59 C ATOM 229 C HIS A 729 26.896 4.053 5.849 1.00 21.03 C ATOM 230 O HIS A 729 27.479 5.109 5.659 1.00 21.32 O ATOM 231 CB HIS A 729 25.891 2.921 3.829 1.00 21.40 C ATOM 232 CG HIS A 729 26.268 1.511 4.095 1.00 20.18 C ATOM 233 ND1 HIS A 729 27.579 1.130 4.254 1.00 23.82 N ATOM 234 CD2 HIS A 729 25.519 0.404 4.261 1.00 21.53 C ATOM 235 CE1 HIS A 729 27.623 -0.176 4.437 1.00 22.10 C ATOM 236 NE2 HIS A 729 26.388 -0.624 4.490 1.00 23.55 N ATOM 0 H HIS A 729 24.755 5.112 4.012 1.00 23.39 H new ATOM 0 HA HIS A 729 25.066 3.149 5.703 1.00 23.59 H new ATOM 0 HB2 HIS A 729 25.104 2.941 3.262 1.00 21.40 H new ATOM 0 HB3 HIS A 729 26.605 3.357 3.338 1.00 21.40 H new ATOM 0 HD1 HIS A 729 28.259 1.656 4.237 1.00 23.82 H new ATOM 0 HD2 HIS A 729 24.591 0.350 4.226 1.00 21.53 H new ATOM 0 HE1 HIS A 729 28.394 -0.690 4.515 1.00 22.10 H new ATOM 237 N ILE A 730 27.358 3.158 6.742 1.00 21.31 N ATOM 238 CA ILE A 730 28.648 3.379 7.370 1.00 22.19 C ATOM 239 C ILE A 730 29.372 1.979 7.233 1.00 24.79 C ATOM 240 O ILE A 730 28.798 0.969 7.658 1.00 26.39 O ATOM 241 CB ILE A 730 28.526 3.661 8.885 1.00 22.24 C ATOM 242 CG1 ILE A 730 27.560 4.820 9.143 1.00 23.87 C ATOM 243 CG2 ILE A 730 29.907 3.916 9.483 1.00 23.68 C ATOM 244 CD1 ILE A 730 27.318 5.102 10.655 1.00 23.14 C ATOM 0 H ILE A 730 26.946 2.443 6.984 1.00 21.31 H new ATOM 0 HA ILE A 730 29.099 4.135 6.962 1.00 22.19 H new ATOM 0 HB ILE A 730 28.155 2.881 9.326 1.00 22.24 H new ATOM 0 HG12 ILE A 730 27.909 5.622 8.724 1.00 23.87 H new ATOM 0 HG13 ILE A 730 26.710 4.624 8.718 1.00 23.87 H new ATOM 0 HG21 ILE A 730 29.821 4.092 10.433 1.00 23.68 H new ATOM 0 HG22 ILE A 730 30.467 3.136 9.348 1.00 23.68 H new ATOM 0 HG23 ILE A 730 30.312 4.683 9.048 1.00 23.68 H new ATOM 0 HD11 ILE A 730 26.700 5.844 10.751 1.00 23.14 H new ATOM 0 HD12 ILE A 730 26.943 4.313 11.076 1.00 23.14 H new ATOM 0 HD13 ILE A 730 28.160 5.326 11.081 1.00 23.14 H new ATOM 245 N PRO A 731 30.565 1.971 6.684 1.00 24.64 N ATOM 246 CA PRO A 731 31.225 3.112 6.049 1.00 26.32 C ATOM 247 C PRO A 731 30.473 3.597 4.788 1.00 25.68 C ATOM 248 O PRO A 731 29.620 2.876 4.335 1.00 26.31 O ATOM 249 CB PRO A 731 32.539 2.495 5.529 1.00 31.97 C ATOM 250 CG PRO A 731 32.717 1.277 6.318 1.00 28.46 C ATOM 251 CD PRO A 731 31.363 0.731 6.573 1.00 32.61 C ATOM 0 HA PRO A 731 31.298 3.856 6.667 1.00 26.32 H new ATOM 0 HB2 PRO A 731 32.484 2.296 4.581 1.00 31.97 H new ATOM 0 HB3 PRO A 731 33.285 3.104 5.648 1.00 31.97 H new ATOM 0 HG2 PRO A 731 33.263 0.634 5.839 1.00 28.46 H new ATOM 0 HG3 PRO A 731 33.173 1.471 7.152 1.00 28.46 H new ATOM 0 HD2 PRO A 731 31.056 0.162 5.850 1.00 32.61 H new ATOM 0 HD3 PRO A 731 31.329 0.201 7.385 1.00 32.61 H new ATOM 252 N SER A 732 30.767 4.806 4.283 1.00 29.91 N ATOM 253 CA SER A 732 30.072 5.346 3.025 1.00 36.32 C ATOM 254 C SER A 732 30.113 4.348 1.866 1.00 39.88 C ATOM 255 O SER A 732 31.087 3.574 1.746 1.00 41.07 O ATOM 256 CB SER A 732 30.718 6.613 2.530 1.00 44.12 C ATOM 257 OG SER A 732 30.361 7.658 3.386 1.00 49.47 O ATOM 0 H SER A 732 31.348 5.340 4.624 1.00 29.91 H new ATOM 0 HA SER A 732 29.155 5.510 3.294 1.00 36.32 H new ATOM 0 HB2 SER A 732 31.682 6.512 2.506 1.00 44.12 H new ATOM 0 HB3 SER A 732 30.430 6.806 1.624 1.00 44.12 H new ATOM 0 HG SER A 732 29.975 8.261 2.947 1.00 49.47 H new ATOM 258 N VAL A 733 29.038 4.286 1.087 1.00 39.67 N ATOM 259 CA VAL A 733 28.881 3.175 0.121 1.00 39.63 C ATOM 260 C VAL A 733 30.066 3.200 -0.834 1.00 49.38 C ATOM 261 O VAL A 733 30.500 4.272 -1.280 1.00 45.07 O ATOM 262 CB VAL A 733 27.586 3.181 -0.650 1.00 37.87 C ATOM 263 CG1 VAL A 733 27.575 2.055 -1.699 1.00 39.02 C ATOM 264 CG2 VAL A 733 26.384 2.959 0.276 1.00 37.66 C ATOM 0 H VAL A 733 28.396 4.858 1.093 1.00 39.67 H new ATOM 0 HA VAL A 733 28.854 2.355 0.639 1.00 39.63 H new ATOM 0 HB VAL A 733 27.519 4.049 -1.078 1.00 37.87 H new ATOM 0 HG11 VAL A 733 26.736 2.074 -2.185 1.00 39.02 H new ATOM 0 HG12 VAL A 733 28.310 2.183 -2.319 1.00 39.02 H new ATOM 0 HG13 VAL A 733 27.672 1.198 -1.255 1.00 39.02 H new ATOM 0 HG21 VAL A 733 25.567 2.968 -0.246 1.00 37.66 H new ATOM 0 HG22 VAL A 733 26.473 2.102 0.722 1.00 37.66 H new ATOM 0 HG23 VAL A 733 26.351 3.666 0.939 1.00 37.66 H new ATOM 265 N GLU A 734 30.625 2.006 -1.063 1.00 54.24 N ATOM 266 CA GLU A 734 31.912 1.843 -1.766 1.00 65.40 C ATOM 267 C GLU A 734 31.748 2.155 -3.300 1.00 66.53 C ATOM 268 O GLU A 734 30.676 1.903 -3.886 1.00 60.20 O ATOM 269 CB GLU A 734 32.483 0.428 -1.477 1.00 65.07 C ATOM 270 CG GLU A 734 32.894 0.131 -0.009 1.00 68.38 C ATOM 271 CD GLU A 734 31.756 0.052 1.059 1.00 75.56 C ATOM 272 OE1 GLU A 734 30.589 -0.229 0.742 1.00 73.01 O ATOM 273 OE2 GLU A 734 32.005 0.264 2.264 1.00 74.56 O ATOM 0 H GLU A 734 30.269 1.263 -0.815 1.00 54.24 H new ATOM 0 HA GLU A 734 32.560 2.484 -1.434 1.00 65.40 H new ATOM 0 HB2 GLU A 734 31.820 -0.227 -1.745 1.00 65.07 H new ATOM 0 HB3 GLU A 734 33.259 0.293 -2.043 1.00 65.07 H new ATOM 0 HG2 GLU A 734 33.374 -0.712 0.002 1.00 68.38 H new ATOM 0 HG3 GLU A 734 33.520 0.817 0.271 1.00 68.38 H new ATOM 274 N ALA A 735 32.800 2.726 -3.913 1.00 80.66 N ATOM 275 CA ALA A 735 32.779 3.256 -5.311 1.00 87.76 C ATOM 276 C ALA A 735 32.488 2.203 -6.381 1.00 97.73 C ATOM 277 O ALA A 735 31.645 2.411 -7.269 1.00104.54 O ATOM 278 CB ALA A 735 34.090 3.956 -5.651 1.00 83.66 C ATOM 0 H ALA A 735 33.563 2.822 -3.528 1.00 80.66 H new ATOM 0 HA ALA A 735 32.041 3.886 -5.324 1.00 87.76 H new ATOM 0 HB1 ALA A 735 34.052 4.290 -6.561 1.00 83.66 H new ATOM 0 HB2 ALA A 735 34.229 4.697 -5.040 1.00 83.66 H new ATOM 0 HB3 ALA A 735 34.824 3.327 -5.569 1.00 83.66 H new ATOM 279 N ASN A 736 33.193 1.081 -6.311 1.00 94.17 N ATOM 280 CA ASN A 736 32.918 -0.021 -7.213 1.00100.55 C ATOM 281 C ASN A 736 32.380 -1.215 -6.398 1.00100.21 C ATOM 282 O ASN A 736 31.436 -1.015 -5.620 1.00107.73 O ATOM 283 CB ASN A 736 34.144 -0.284 -8.105 1.00106.85 C ATOM 284 CG ASN A 736 33.765 -0.900 -9.438 1.00 99.68 C ATOM 285 OD1 ASN A 736 33.488 -2.095 -9.510 1.00111.64 O ATOM 286 ND2 ASN A 736 33.726 -0.082 -10.495 1.00 84.40 N ATOM 0 H ASN A 736 33.831 0.940 -5.751 1.00 94.17 H new ATOM 0 HA ASN A 736 32.212 0.184 -7.845 1.00100.55 H new ATOM 0 HB2 ASN A 736 34.614 0.550 -8.259 1.00106.85 H new ATOM 0 HB3 ASN A 736 34.758 -0.875 -7.641 1.00106.85 H new ATOM 0 HD21 ASN A 736 33.500 -0.387 -11.267 1.00 84.40 H new ATOM 0 HD22 ASN A 736 33.927 0.749 -10.403 1.00 84.40 H new ATOM 287 N LYS A 737 32.946 -2.418 -6.549 1.00100.43 N ATOM 288 CA LYS A 737 32.423 -3.631 -5.922 1.00101.75 C ATOM 289 C LYS A 737 31.049 -3.999 -6.521 1.00 98.18 C ATOM 290 O LYS A 737 30.024 -3.378 -6.227 1.00 94.47 O ATOM 291 CB LYS A 737 32.369 -3.504 -4.381 1.00 97.35 C ATOM 0 H LYS A 737 33.651 -2.550 -7.023 1.00100.43 H new ATOM 0 HA LYS A 737 33.036 -4.358 -6.115 1.00101.75 H new ATOM 292 N ASN A 738 31.058 -4.971 -7.423 1.00 89.59 N ATOM 293 CA ASN A 738 29.838 -5.671 -7.831 1.00 86.10 C ATOM 294 C ASN A 738 30.174 -7.139 -7.648 1.00 83.43 C ATOM 295 O ASN A 738 31.258 -7.526 -8.048 1.00 89.13 O ATOM 296 CB ASN A 738 29.490 -5.370 -9.282 1.00 90.86 C ATOM 297 CG ASN A 738 29.752 -3.906 -9.652 1.00 94.25 C ATOM 298 OD1 ASN A 738 30.874 -3.406 -9.504 1.00 88.91 O ATOM 299 ND2 ASN A 738 28.724 -3.217 -10.132 1.00 92.45 N ATOM 0 H ASN A 738 31.770 -5.247 -7.819 1.00 89.59 H new ATOM 0 HA ASN A 738 29.065 -5.398 -7.313 1.00 86.10 H new ATOM 0 HB2 ASN A 738 30.010 -5.946 -9.863 1.00 90.86 H new ATOM 0 HB3 ASN A 738 28.556 -5.579 -9.438 1.00 90.86 H new ATOM 0 HD21 ASN A 738 28.825 -2.392 -10.353 1.00 92.45 H new ATOM 0 HD22 ASN A 738 27.957 -3.596 -10.222 1.00 92.45 H new ATOM 300 N PRO A 739 29.363 -7.935 -6.947 1.00 80.07 N ATOM 301 CA PRO A 739 28.291 -7.449 -6.102 1.00 76.72 C ATOM 302 C PRO A 739 28.775 -6.611 -4.880 1.00 65.60 C ATOM 303 O PRO A 739 29.962 -6.622 -4.520 1.00 61.90 O ATOM 304 CB PRO A 739 27.634 -8.748 -5.630 1.00 81.46 C ATOM 305 CG PRO A 739 28.770 -9.723 -5.539 1.00 81.53 C ATOM 306 CD PRO A 739 29.825 -9.273 -6.512 1.00 78.40 C ATOM 0 HA PRO A 739 27.707 -6.841 -6.581 1.00 76.72 H new ATOM 0 HB2 PRO A 739 27.197 -8.632 -4.772 1.00 81.46 H new ATOM 0 HB3 PRO A 739 26.957 -9.050 -6.255 1.00 81.46 H new ATOM 0 HG2 PRO A 739 29.126 -9.750 -4.637 1.00 81.53 H new ATOM 0 HG3 PRO A 739 28.469 -10.620 -5.752 1.00 81.53 H new ATOM 0 HD2 PRO A 739 30.699 -9.228 -6.093 1.00 78.40 H new ATOM 0 HD3 PRO A 739 29.901 -9.884 -7.262 1.00 78.40 H new ATOM 307 N TRP A 740 27.841 -5.884 -4.273 1.00 53.37 N ATOM 308 CA TRP A 740 28.085 -5.161 -3.007 1.00 49.30 C ATOM 309 C TRP A 740 27.208 -5.705 -1.881 1.00 42.49 C ATOM 310 O TRP A 740 26.003 -5.972 -2.046 1.00 40.29 O ATOM 311 CB TRP A 740 27.847 -3.676 -3.216 1.00 49.69 C ATOM 312 CG TRP A 740 28.029 -2.840 -1.989 1.00 49.15 C ATOM 313 CD1 TRP A 740 29.199 -2.459 -1.417 1.00 47.86 C ATOM 314 CD2 TRP A 740 26.986 -2.242 -1.235 1.00 40.21 C ATOM 315 NE1 TRP A 740 28.951 -1.665 -0.327 1.00 43.10 N ATOM 316 CE2 TRP A 740 27.596 -1.516 -0.190 1.00 40.44 C ATOM 317 CE3 TRP A 740 25.590 -2.253 -1.342 1.00 40.08 C ATOM 318 CZ2 TRP A 740 26.876 -0.831 0.750 1.00 35.01 C ATOM 319 CZ3 TRP A 740 24.848 -1.538 -0.401 1.00 39.86 C ATOM 320 CH2 TRP A 740 25.505 -0.825 0.628 1.00 40.25 C ATOM 0 H TRP A 740 27.042 -5.791 -4.578 1.00 53.37 H new ATOM 0 HA TRP A 740 29.008 -5.298 -2.742 1.00 49.30 H new ATOM 0 HB2 TRP A 740 28.452 -3.357 -3.904 1.00 49.69 H new ATOM 0 HB3 TRP A 740 26.945 -3.548 -3.550 1.00 49.69 H new ATOM 0 HD1 TRP A 740 30.044 -2.701 -1.720 1.00 47.86 H new ATOM 0 HE1 TRP A 740 29.548 -1.318 0.186 1.00 43.10 H new ATOM 0 HE3 TRP A 740 25.168 -2.725 -2.023 1.00 40.08 H new ATOM 0 HZ2 TRP A 740 27.299 -0.384 1.448 1.00 35.01 H new ATOM 0 HZ3 TRP A 740 23.919 -1.530 -0.451 1.00 39.86 H new ATOM 0 HH2 TRP A 740 24.998 -0.340 1.238 1.00 40.25 H new ATOM 321 N SER A 741 27.816 -5.911 -0.722 1.00 40.28 N ATOM 322 CA SER A 741 27.067 -6.358 0.437 1.00 37.03 C ATOM 323 C SER A 741 27.122 -5.222 1.519 1.00 31.98 C ATOM 324 O SER A 741 28.150 -4.645 1.786 1.00 27.03 O ATOM 325 CB SER A 741 27.588 -7.722 0.905 1.00 46.02 C ATOM 326 OG SER A 741 26.895 -8.804 0.245 1.00 46.71 O ATOM 0 H SER A 741 28.658 -5.798 -0.587 1.00 40.28 H new ATOM 0 HA SER A 741 26.131 -6.507 0.232 1.00 37.03 H new ATOM 0 HB2 SER A 741 28.539 -7.787 0.724 1.00 46.02 H new ATOM 0 HB3 SER A 741 27.476 -7.801 1.865 1.00 46.02 H new ATOM 0 HG SER A 741 26.185 -8.977 0.660 1.00 46.71 H new ATOM 327 N CYS A 742 25.964 -4.866 2.034 1.00 29.29 N ATOM 328 CA CYS A 742 25.830 -3.847 3.104 1.00 29.16 C ATOM 329 C CYS A 742 26.351 -4.420 4.434 1.00 24.29 C ATOM 330 O CYS A 742 26.534 -5.654 4.663 1.00 24.73 O ATOM 331 CB CYS A 742 24.297 -3.439 3.265 1.00 22.54 C ATOM 332 SG CYS A 742 23.187 -4.497 4.184 1.00 25.96 S ATOM 0 H CYS A 742 25.214 -5.202 1.782 1.00 29.29 H new ATOM 0 HA CYS A 742 26.350 -3.063 2.866 1.00 29.16 H new ATOM 0 HB2 CYS A 742 24.273 -2.563 3.682 1.00 22.54 H new ATOM 0 HB3 CYS A 742 23.929 -3.339 2.373 1.00 22.54 H new ATOM 333 N ILE A 743 26.481 -3.495 5.374 1.00 24.64 N ATOM 334 CA ILE A 743 26.933 -3.781 6.728 1.00 21.86 C ATOM 335 C ILE A 743 26.090 -4.790 7.455 1.00 23.98 C ATOM 336 O ILE A 743 26.640 -5.605 8.195 1.00 24.25 O ATOM 337 CB ILE A 743 27.132 -2.489 7.500 1.00 24.34 C ATOM 338 CG1 ILE A 743 27.905 -2.827 8.801 1.00 25.80 C ATOM 339 CG2 ILE A 743 25.815 -1.796 7.722 1.00 21.41 C ATOM 340 CD1 ILE A 743 28.524 -1.624 9.391 1.00 29.90 C ATOM 0 H ILE A 743 26.305 -2.664 5.240 1.00 24.64 H new ATOM 0 HA ILE A 743 27.796 -4.219 6.655 1.00 21.86 H new ATOM 0 HB ILE A 743 27.664 -1.851 6.999 1.00 24.34 H new ATOM 0 HG12 ILE A 743 27.299 -3.229 9.443 1.00 25.80 H new ATOM 0 HG13 ILE A 743 28.592 -3.485 8.609 1.00 25.80 H new ATOM 0 HG21 ILE A 743 25.961 -0.974 8.216 1.00 21.41 H new ATOM 0 HG22 ILE A 743 25.409 -1.590 6.865 1.00 21.41 H new ATOM 0 HG23 ILE A 743 25.225 -2.376 8.228 1.00 21.41 H new ATOM 0 HD11 ILE A 743 28.999 -1.868 10.201 1.00 29.90 H new ATOM 0 HD12 ILE A 743 29.147 -1.236 8.756 1.00 29.90 H new ATOM 0 HD13 ILE A 743 27.834 -0.976 9.604 1.00 29.90 H new ATOM 341 N PHE A 744 24.756 -4.817 7.221 1.00 25.27 N ATOM 342 CA PHE A 744 23.939 -5.820 7.841 1.00 24.86 C ATOM 343 C PHE A 744 24.354 -7.247 7.379 1.00 25.76 C ATOM 344 O PHE A 744 24.433 -8.191 8.213 1.00 24.74 O ATOM 345 CB PHE A 744 22.403 -5.658 7.629 1.00 27.10 C ATOM 346 CG PHE A 744 21.781 -4.448 8.282 1.00 23.96 C ATOM 347 CD1 PHE A 744 21.932 -3.206 7.717 1.00 25.06 C ATOM 348 CD2 PHE A 744 20.991 -4.587 9.401 1.00 26.15 C ATOM 349 CE1 PHE A 744 21.322 -2.068 8.299 1.00 24.68 C ATOM 350 CE2 PHE A 744 20.389 -3.489 9.981 1.00 26.79 C ATOM 351 CZ PHE A 744 20.564 -2.242 9.435 1.00 24.26 C ATOM 0 H PHE A 744 24.336 -4.265 6.713 1.00 25.27 H new ATOM 0 HA PHE A 744 24.102 -5.695 8.789 1.00 24.86 H new ATOM 0 HB2 PHE A 744 22.226 -5.619 6.676 1.00 27.10 H new ATOM 0 HB3 PHE A 744 21.960 -6.452 7.967 1.00 27.10 H new ATOM 0 HD1 PHE A 744 22.440 -3.111 6.944 1.00 25.06 H new ATOM 0 HD2 PHE A 744 20.862 -5.431 9.770 1.00 26.15 H new ATOM 0 HE1 PHE A 744 21.431 -1.224 7.923 1.00 24.68 H new ATOM 0 HE2 PHE A 744 19.865 -3.594 10.742 1.00 26.79 H new ATOM 0 HZ PHE A 744 20.165 -1.505 9.838 1.00 24.26 H new ATOM 352 N CYS A 745 24.595 -7.398 6.075 1.00 29.68 N ATOM 353 CA CYS A 745 25.077 -8.695 5.529 1.00 29.27 C ATOM 354 C CYS A 745 26.476 -9.063 6.042 1.00 30.13 C ATOM 355 O CYS A 745 26.725 -10.225 6.341 1.00 27.85 O ATOM 356 CB CYS A 745 25.058 -8.672 3.986 1.00 30.88 C ATOM 357 SG CYS A 745 23.341 -8.621 3.444 1.00 35.18 S ATOM 0 H CYS A 745 24.491 -6.778 5.488 1.00 29.68 H new ATOM 0 HA CYS A 745 24.468 -9.380 5.845 1.00 29.27 H new ATOM 0 HB2 CYS A 745 25.541 -7.899 3.653 1.00 30.88 H new ATOM 0 HB3 CYS A 745 25.502 -9.458 3.631 1.00 30.88 H new ATOM 358 N ARG A 746 27.369 -8.074 6.145 1.00 24.43 N ATOM 359 CA ARG A 746 28.721 -8.324 6.585 1.00 27.46 C ATOM 360 C ARG A 746 28.756 -8.749 8.020 1.00 27.40 C ATOM 361 O ARG A 746 29.512 -9.648 8.342 1.00 28.53 O ATOM 362 CB ARG A 746 29.628 -7.168 6.358 1.00 27.82 C ATOM 363 CG ARG A 746 29.792 -6.941 4.891 1.00 31.79 C ATOM 364 CD ARG A 746 30.402 -5.631 4.591 1.00 35.37 C ATOM 365 NE ARG A 746 31.766 -5.597 5.037 1.00 45.27 N ATOM 366 CZ ARG A 746 32.521 -4.501 5.067 1.00 51.89 C ATOM 367 NH1 ARG A 746 32.007 -3.311 4.674 1.00 58.95 N ATOM 368 NH2 ARG A 746 33.791 -4.593 5.498 1.00 45.95 N ATOM 0 H ARG A 746 27.200 -7.251 5.961 1.00 24.43 H new ATOM 0 HA ARG A 746 29.052 -9.053 6.037 1.00 27.46 H new ATOM 0 HB2 ARG A 746 29.265 -6.373 6.779 1.00 27.82 H new ATOM 0 HB3 ARG A 746 30.491 -7.337 6.767 1.00 27.82 H new ATOM 0 HG2 ARG A 746 30.344 -7.646 4.517 1.00 31.79 H new ATOM 0 HG3 ARG A 746 28.926 -6.999 4.458 1.00 31.79 H new ATOM 0 HD2 ARG A 746 30.364 -5.461 3.637 1.00 35.37 H new ATOM 0 HD3 ARG A 746 29.897 -4.926 5.025 1.00 35.37 H new ATOM 0 HE ARG A 746 32.119 -6.335 5.303 1.00 45.27 H new ATOM 0 HH11 ARG A 746 31.192 -3.263 4.405 1.00 58.95 H new ATOM 0 HH12 ARG A 746 32.496 -2.604 4.694 1.00 58.95 H new ATOM 0 HH21 ARG A 746 34.106 -5.353 5.750 1.00 45.95 H new ATOM 0 HH22 ARG A 746 34.289 -3.892 5.522 1.00 45.95 H new ATOM 369 N ILE A 747 27.898 -8.188 8.867 1.00 24.04 N ATOM 370 CA ILE A 747 27.808 -8.579 10.282 1.00 25.83 C ATOM 371 C ILE A 747 27.233 -10.008 10.396 1.00 26.49 C ATOM 372 O ILE A 747 27.707 -10.855 11.180 1.00 26.08 O ATOM 373 CB ILE A 747 26.941 -7.597 11.087 1.00 25.26 C ATOM 374 CG1 ILE A 747 27.655 -6.261 11.251 1.00 24.39 C ATOM 375 CG2 ILE A 747 26.596 -8.169 12.426 1.00 29.25 C ATOM 376 CD1 ILE A 747 28.895 -6.218 12.117 1.00 26.34 C ATOM 0 H ILE A 747 27.347 -7.567 8.641 1.00 24.04 H new ATOM 0 HA ILE A 747 28.703 -8.558 10.655 1.00 25.83 H new ATOM 0 HB ILE A 747 26.118 -7.449 10.595 1.00 25.26 H new ATOM 0 HG12 ILE A 747 27.899 -5.944 10.367 1.00 24.39 H new ATOM 0 HG13 ILE A 747 27.017 -5.626 11.614 1.00 24.39 H new ATOM 0 HG21 ILE A 747 26.050 -7.536 12.918 1.00 29.25 H new ATOM 0 HG22 ILE A 747 26.104 -8.996 12.308 1.00 29.25 H new ATOM 0 HG23 ILE A 747 27.411 -8.346 12.922 1.00 29.25 H new ATOM 0 HD11 ILE A 747 29.246 -5.314 12.135 1.00 26.34 H new ATOM 0 HD12 ILE A 747 28.670 -6.495 13.019 1.00 26.34 H new ATOM 0 HD13 ILE A 747 29.565 -6.818 11.753 1.00 26.34 H new ATOM 377 N LYS A 748 26.216 -10.287 9.622 1.00 30.33 N ATOM 378 CA LYS A 748 25.643 -11.649 9.614 1.00 33.80 C ATOM 379 C LYS A 748 26.700 -12.681 9.181 1.00 31.36 C ATOM 380 O LYS A 748 26.836 -13.690 9.816 1.00 31.23 O ATOM 381 CB LYS A 748 24.386 -11.711 8.753 1.00 36.61 C ATOM 382 CG LYS A 748 23.672 -13.055 8.820 1.00 45.78 C ATOM 383 CD LYS A 748 22.819 -13.345 7.574 1.00 61.16 C ATOM 384 CE LYS A 748 21.839 -12.224 7.238 1.00 69.43 C ATOM 385 NZ LYS A 748 21.023 -11.766 8.403 1.00 81.70 N ATOM 0 H LYS A 748 25.833 -9.726 9.094 1.00 30.33 H new ATOM 0 HA LYS A 748 25.374 -11.876 10.518 1.00 33.80 H new ATOM 0 HB2 LYS A 748 23.774 -11.013 9.035 1.00 36.61 H new ATOM 0 HB3 LYS A 748 24.624 -11.524 7.831 1.00 36.61 H new ATOM 0 HG2 LYS A 748 24.330 -13.760 8.927 1.00 45.78 H new ATOM 0 HG3 LYS A 748 23.104 -13.075 9.606 1.00 45.78 H new ATOM 0 HD2 LYS A 748 23.405 -13.491 6.815 1.00 61.16 H new ATOM 0 HD3 LYS A 748 22.324 -14.168 7.713 1.00 61.16 H new ATOM 0 HE2 LYS A 748 22.334 -11.469 6.884 1.00 69.43 H new ATOM 0 HE3 LYS A 748 21.243 -12.527 6.536 1.00 69.43 H new ATOM 0 HZ1 LYS A 748 20.415 -11.178 8.127 1.00 81.70 H new ATOM 0 HZ2 LYS A 748 20.613 -12.465 8.772 1.00 81.70 H new ATOM 0 HZ3 LYS A 748 21.554 -11.382 9.005 1.00 81.70 H new ATOM 386 N THR A 749 27.525 -12.385 8.191 1.00 30.74 N ATOM 387 CA THR A 749 28.580 -13.320 7.803 1.00 32.00 C ATOM 388 C THR A 749 29.593 -13.656 8.919 1.00 41.50 C ATOM 389 O THR A 749 29.992 -14.842 9.086 1.00 34.56 O ATOM 390 CB THR A 749 29.340 -12.745 6.604 1.00 37.75 C ATOM 391 OG1 THR A 749 28.419 -12.643 5.531 1.00 39.13 O ATOM 392 CG2 THR A 749 30.496 -13.635 6.170 1.00 40.12 C ATOM 0 H THR A 749 27.497 -11.658 7.732 1.00 30.74 H new ATOM 0 HA THR A 749 28.130 -14.152 7.589 1.00 32.00 H new ATOM 0 HB THR A 749 29.714 -11.886 6.855 1.00 37.75 H new ATOM 0 HG1 THR A 749 27.910 -11.988 5.660 1.00 39.13 H new ATOM 0 HG21 THR A 749 30.947 -13.233 5.411 1.00 40.12 H new ATOM 0 HG22 THR A 749 31.123 -13.732 6.904 1.00 40.12 H new ATOM 0 HG23 THR A 749 30.156 -14.508 5.918 1.00 40.12 H new ATOM 393 N ILE A 750 30.021 -12.631 9.675 1.00 40.12 N ATOM 394 CA ILE A 750 30.922 -12.808 10.824 1.00 41.17 C ATOM 395 C ILE A 750 30.340 -13.836 11.757 1.00 41.83 C ATOM 396 O ILE A 750 31.053 -14.782 12.142 1.00 45.16 O ATOM 397 CB ILE A 750 31.148 -11.545 11.707 1.00 46.22 C ATOM 398 CG1 ILE A 750 31.697 -10.356 10.944 1.00 50.67 C ATOM 399 CG2 ILE A 750 32.075 -11.852 12.882 1.00 48.87 C ATOM 400 CD1 ILE A 750 32.779 -10.679 9.961 1.00 55.09 C ATOM 0 H ILE A 750 29.795 -11.813 9.534 1.00 40.12 H new ATOM 0 HA ILE A 750 31.770 -13.054 10.422 1.00 41.17 H new ATOM 0 HB ILE A 750 30.266 -11.302 12.029 1.00 46.22 H new ATOM 0 HG12 ILE A 750 30.967 -9.927 10.471 1.00 50.67 H new ATOM 0 HG13 ILE A 750 32.040 -9.710 11.581 1.00 50.67 H new ATOM 0 HG21 ILE A 750 32.199 -11.051 13.415 1.00 48.87 H new ATOM 0 HG22 ILE A 750 31.681 -12.548 13.432 1.00 48.87 H new ATOM 0 HG23 ILE A 750 32.934 -12.153 12.547 1.00 48.87 H new ATOM 0 HD11 ILE A 750 33.070 -9.865 9.521 1.00 55.09 H new ATOM 0 HD12 ILE A 750 33.530 -11.081 10.426 1.00 55.09 H new ATOM 0 HD13 ILE A 750 32.439 -11.301 9.298 1.00 55.09 H new ATOM 401 N GLN A 751 29.069 -13.658 12.122 1.00 39.92 N ATOM 402 CA GLN A 751 28.381 -14.555 13.050 1.00 41.53 C ATOM 403 C GLN A 751 28.245 -15.985 12.519 1.00 45.09 C ATOM 404 O GLN A 751 28.302 -16.942 13.307 1.00 50.47 O ATOM 405 CB GLN A 751 26.974 -14.092 13.343 1.00 46.32 C ATOM 406 CG GLN A 751 26.859 -12.785 14.070 1.00 54.66 C ATOM 407 CD GLN A 751 25.403 -12.362 14.235 1.00 60.69 C ATOM 408 OE1 GLN A 751 24.464 -13.126 13.935 1.00 65.50 O ATOM 409 NE2 GLN A 751 25.210 -11.144 14.693 1.00 62.56 N ATOM 0 H GLN A 751 28.581 -13.010 11.836 1.00 39.92 H new ATOM 0 HA GLN A 751 28.937 -14.541 13.845 1.00 41.53 H new ATOM 0 HB2 GLN A 751 26.493 -14.020 12.504 1.00 46.32 H new ATOM 0 HB3 GLN A 751 26.528 -14.776 13.867 1.00 46.32 H new ATOM 0 HG2 GLN A 751 27.276 -12.861 14.943 1.00 54.66 H new ATOM 0 HG3 GLN A 751 27.343 -12.099 13.584 1.00 54.66 H new ATOM 0 HE21 GLN A 751 25.884 -10.647 14.889 1.00 62.56 H new ATOM 0 HE22 GLN A 751 24.410 -10.845 14.796 1.00 62.56 H new ATOM 410 N GLU A 752 28.025 -16.109 11.202 1.00 43.52 N ATOM 411 CA GLU A 752 27.896 -17.414 10.518 1.00 44.48 C ATOM 412 C GLU A 752 29.237 -18.145 10.426 1.00 40.82 C ATOM 413 O GLU A 752 29.325 -19.366 10.632 1.00 46.82 O ATOM 414 CB GLU A 752 27.287 -17.238 9.120 1.00 46.04 C ATOM 415 CG GLU A 752 25.820 -16.867 9.173 1.00 49.82 C ATOM 416 CD GLU A 752 25.224 -16.605 7.800 1.00 59.35 C ATOM 417 OE1 GLU A 752 25.989 -16.497 6.806 1.00 55.29 O ATOM 418 OE2 GLU A 752 23.967 -16.496 7.725 1.00 67.90 O ATOM 0 H GLU A 752 27.945 -15.435 10.674 1.00 43.52 H new ATOM 0 HA GLU A 752 27.299 -17.960 11.053 1.00 44.48 H new ATOM 0 HB2 GLU A 752 27.775 -16.550 8.641 1.00 46.04 H new ATOM 0 HB3 GLU A 752 27.392 -18.061 8.618 1.00 46.04 H new ATOM 0 HG2 GLU A 752 25.326 -17.582 9.603 1.00 49.82 H new ATOM 0 HG3 GLU A 752 25.711 -16.076 9.724 1.00 49.82 H new ATOM 419 N ARG A 753 30.296 -17.405 10.165 1.00 41.11 N ATOM 420 CA ARG A 753 31.633 -17.971 10.191 1.00 42.78 C ATOM 421 C ARG A 753 32.118 -18.400 11.572 1.00 48.30 C ATOM 422 O ARG A 753 32.991 -19.270 11.611 1.00 57.64 O ATOM 423 CB ARG A 753 32.670 -17.045 9.572 1.00 44.61 C ATOM 424 CG ARG A 753 32.519 -16.954 8.055 1.00 51.98 C ATOM 425 CD ARG A 753 33.575 -16.075 7.356 1.00 55.33 C ATOM 426 NE ARG A 753 33.529 -16.328 5.918 1.00 56.27 N ATOM 427 CZ ARG A 753 33.803 -15.450 4.961 1.00 64.15 C ATOM 428 NH1 ARG A 753 34.186 -14.201 5.242 1.00 66.88 N ATOM 429 NH2 ARG A 753 33.696 -15.834 3.690 1.00 66.29 N ATOM 0 H ARG A 753 30.265 -16.568 9.969 1.00 41.11 H new ATOM 0 HA ARG A 753 31.545 -18.773 9.653 1.00 42.78 H new ATOM 0 HB2 ARG A 753 32.584 -16.160 9.959 1.00 44.61 H new ATOM 0 HB3 ARG A 753 33.560 -17.365 9.790 1.00 44.61 H new ATOM 0 HG2 ARG A 753 32.563 -17.849 7.683 1.00 51.98 H new ATOM 0 HG3 ARG A 753 31.638 -16.605 7.850 1.00 51.98 H new ATOM 0 HD2 ARG A 753 33.403 -15.138 7.537 1.00 55.33 H new ATOM 0 HD3 ARG A 753 34.459 -16.274 7.703 1.00 55.33 H new ATOM 0 HE ARG A 753 33.303 -17.119 5.668 1.00 56.27 H new ATOM 0 HH11 ARG A 753 34.260 -13.948 6.061 1.00 66.88 H new ATOM 0 HH12 ARG A 753 34.358 -13.650 4.604 1.00 66.88 H new ATOM 0 HH21 ARG A 753 33.453 -16.637 3.503 1.00 66.29 H new ATOM 0 HH22 ARG A 753 33.870 -15.278 3.057 1.00 66.29 H new ATOM 430 N CYS A 754 31.588 -17.823 12.670 1.00 38.74 N ATOM 431 CA ACYS A 754 32.036 -18.157 14.036 0.55 43.73 C ATOM 432 CA BCYS A 754 32.059 -18.115 14.047 0.45 38.66 C ATOM 433 C CYS A 754 30.857 -18.117 14.998 1.00 38.70 C ATOM 434 O CYS A 754 30.668 -17.148 15.744 1.00 34.42 O ATOM 435 CB ACYS A 754 33.167 -17.235 14.471 0.55 47.80 C ATOM 436 CB BCYS A 754 33.114 -17.068 14.475 0.45 36.96 C ATOM 437 SG ACYS A 754 34.695 -17.614 13.578 0.55 63.18 S ATOM 438 SG BCYS A 754 34.022 -17.353 16.029 0.45 35.11 S ATOM 0 H ACYS A 754 30.964 -17.232 12.641 0.55 38.74 H new ATOM 0 H BCYS A 754 30.946 -17.252 12.638 0.45 38.74 H new ATOM 0 HA ACYS A 754 32.389 -19.060 14.044 0.55 38.66 H new ATOM 0 HA BCYS A 754 32.479 -18.989 14.078 0.45 38.66 H new ATOM 0 HB2ACYS A 754 32.916 -16.312 14.311 0.55 36.96 H new ATOM 0 HB2BCYS A 754 33.765 -16.993 13.760 0.45 36.96 H new ATOM 0 HB3ACYS A 754 33.315 -17.327 15.425 0.55 36.96 H new ATOM 0 HB3BCYS A 754 32.669 -16.209 14.544 0.45 36.96 H new ATOM 0 HG ACYS A 754 34.465 -18.409 12.709 0.55 35.11 H new ATOM 0 HG BCYS A 754 34.797 -16.455 16.211 0.45 35.11 H new ATOM 439 N PRO A 755 30.038 -19.207 14.986 1.00 38.18 N ATOM 440 CA PRO A 755 28.803 -19.253 15.768 1.00 36.76 C ATOM 441 C PRO A 755 28.980 -18.993 17.267 1.00 37.40 C ATOM 442 O PRO A 755 28.091 -18.358 17.892 1.00 34.82 O ATOM 443 CB PRO A 755 28.232 -20.668 15.490 1.00 41.79 C ATOM 444 CG PRO A 755 28.877 -21.089 14.203 1.00 38.17 C ATOM 445 CD PRO A 755 30.225 -20.444 14.175 1.00 38.77 C ATOM 0 HA PRO A 755 28.206 -18.536 15.501 1.00 36.76 H new ATOM 0 HB2 PRO A 755 28.446 -21.282 16.209 1.00 41.79 H new ATOM 0 HB3 PRO A 755 27.265 -20.649 15.411 1.00 41.79 H new ATOM 0 HG2 PRO A 755 28.955 -22.055 14.155 1.00 38.17 H new ATOM 0 HG3 PRO A 755 28.344 -20.810 13.442 1.00 38.17 H new ATOM 0 HD2 PRO A 755 30.905 -21.021 14.556 1.00 38.77 H new ATOM 0 HD3 PRO A 755 30.503 -20.238 13.269 1.00 38.77 H new ATOM 446 N GLU A 756 30.142 -19.392 17.787 1.00 33.98 N ATOM 447 CA GLU A 756 30.474 -19.230 19.176 1.00 38.38 C ATOM 448 C GLU A 756 30.695 -17.778 19.585 1.00 36.80 C ATOM 449 O GLU A 756 30.661 -17.472 20.781 1.00 33.39 O ATOM 450 CB GLU A 756 31.698 -20.095 19.526 1.00 40.46 C ATOM 451 CG GLU A 756 33.020 -19.678 18.885 1.00 53.59 C ATOM 452 CD GLU A 756 33.325 -20.250 17.463 1.00 64.53 C ATOM 453 OE1 GLU A 756 32.419 -20.599 16.634 1.00 57.78 O ATOM 454 OE2 GLU A 756 34.536 -20.315 17.133 1.00 83.50 O ATOM 0 H GLU A 756 30.761 -19.769 17.324 1.00 33.98 H new ATOM 0 HA GLU A 756 29.706 -19.531 19.686 1.00 38.38 H new ATOM 0 HB2 GLU A 756 31.811 -20.089 20.489 1.00 40.46 H new ATOM 0 HB3 GLU A 756 31.509 -21.011 19.268 1.00 40.46 H new ATOM 0 HG2 GLU A 756 33.038 -18.710 18.832 1.00 53.59 H new ATOM 0 HG3 GLU A 756 33.740 -19.943 19.478 1.00 53.59 H new ATOM 455 N SER A 757 30.926 -16.895 18.585 1.00 33.08 N ATOM 456 CA SER A 757 30.999 -15.435 18.774 1.00 33.13 C ATOM 457 C SER A 757 29.699 -14.886 19.389 1.00 33.53 C ATOM 458 O SER A 757 29.720 -13.845 19.955 1.00 32.50 O ATOM 459 CB SER A 757 31.329 -14.725 17.421 1.00 31.46 C ATOM 460 OG SER A 757 30.188 -14.674 16.516 1.00 35.10 O ATOM 0 H SER A 757 31.045 -17.138 17.769 1.00 33.08 H new ATOM 0 HA SER A 757 31.717 -15.246 19.399 1.00 33.13 H new ATOM 0 HB2 SER A 757 31.634 -13.822 17.601 1.00 31.46 H new ATOM 0 HB3 SER A 757 32.061 -15.191 16.986 1.00 31.46 H new ATOM 0 HG SER A 757 30.117 -15.407 16.112 1.00 35.10 H new ATOM 461 N GLN A 758 28.587 -15.629 19.333 1.00 30.81 N ATOM 462 CA GLN A 758 27.360 -15.250 19.986 1.00 31.87 C ATOM 463 C GLN A 758 27.189 -15.719 21.436 1.00 27.82 C ATOM 464 O GLN A 758 26.208 -15.319 22.058 1.00 26.17 O ATOM 465 CB GLN A 758 26.137 -15.736 19.194 1.00 37.92 C ATOM 466 CG GLN A 758 26.040 -15.193 17.778 1.00 45.65 C ATOM 467 CD GLN A 758 25.102 -16.072 16.973 1.00 59.72 C ATOM 468 OE1 GLN A 758 25.528 -17.104 16.399 1.00 73.70 O ATOM 469 NE2 GLN A 758 23.807 -15.754 17.023 1.00 61.65 N ATOM 0 H GLN A 758 28.538 -16.374 18.906 1.00 30.81 H new ATOM 0 HA GLN A 758 27.421 -14.282 20.012 1.00 31.87 H new ATOM 0 HB2 GLN A 758 26.157 -16.705 19.155 1.00 37.92 H new ATOM 0 HB3 GLN A 758 25.334 -15.488 19.678 1.00 37.92 H new ATOM 0 HG2 GLN A 758 25.714 -14.280 17.791 1.00 45.65 H new ATOM 0 HG3 GLN A 758 26.918 -15.175 17.366 1.00 45.65 H new ATOM 0 HE21 GLN A 758 23.555 -15.037 17.426 1.00 61.65 H new ATOM 0 HE22 GLN A 758 23.224 -16.266 16.652 1.00 61.65 H new ATOM 470 N SER A 759 28.116 -16.517 21.974 1.00 24.51 N ATOM 471 CA SER A 759 28.079 -16.855 23.402 1.00 24.94 C ATOM 472 C SER A 759 28.322 -15.574 24.214 1.00 27.41 C ATOM 473 O SER A 759 29.002 -14.642 23.734 1.00 27.57 O ATOM 474 CB SER A 759 29.098 -17.959 23.762 1.00 25.14 C ATOM 475 OG SER A 759 28.712 -19.180 23.131 1.00 23.47 O ATOM 0 H SER A 759 28.767 -16.869 21.536 1.00 24.51 H new ATOM 0 HA SER A 759 27.206 -17.217 23.621 1.00 24.94 H new ATOM 0 HB2 SER A 759 29.987 -17.700 23.473 1.00 25.14 H new ATOM 0 HB3 SER A 759 29.136 -18.078 24.724 1.00 25.14 H new ATOM 0 HG SER A 759 29.334 -19.740 23.201 1.00 23.47 H new ATOM 476 N GLY A 760 27.808 -15.540 25.433 1.00 25.33 N ATOM 477 CA GLY A 760 27.858 -14.315 26.249 1.00 26.53 C ATOM 478 C GLY A 760 29.267 -13.897 26.604 1.00 28.67 C ATOM 479 O GLY A 760 30.127 -14.771 26.882 1.00 25.91 O ATOM 0 H GLY A 760 27.425 -16.209 25.814 1.00 25.33 H new ATOM 0 HA2 GLY A 760 27.424 -13.594 25.767 1.00 26.53 H new ATOM 0 HA3 GLY A 760 27.353 -14.455 27.065 1.00 26.53 H new ATOM 480 N HIS A 761 29.507 -12.574 26.591 1.00 24.68 N ATOM 481 CA HIS A 761 30.748 -11.982 26.948 1.00 25.17 C ATOM 482 C HIS A 761 30.550 -10.992 28.057 1.00 24.49 C ATOM 483 O HIS A 761 29.477 -10.490 28.240 1.00 22.83 O ATOM 484 CB HIS A 761 31.352 -11.202 25.782 1.00 27.20 C ATOM 485 CG HIS A 761 31.634 -12.039 24.592 1.00 31.18 C ATOM 486 ND1 HIS A 761 30.668 -12.354 23.665 1.00 31.69 N ATOM 487 CD2 HIS A 761 32.772 -12.633 24.175 1.00 36.67 C ATOM 488 CE1 HIS A 761 31.209 -13.099 22.722 1.00 34.91 C ATOM 489 NE2 HIS A 761 32.477 -13.291 23.012 1.00 38.49 N ATOM 0 H HIS A 761 28.911 -11.998 26.361 1.00 24.68 H new ATOM 0 HA HIS A 761 31.335 -12.707 27.213 1.00 25.17 H new ATOM 0 HB2 HIS A 761 30.744 -10.489 25.530 1.00 27.20 H new ATOM 0 HB3 HIS A 761 32.176 -10.782 26.076 1.00 27.20 H new ATOM 0 HD1 HIS A 761 29.845 -12.105 23.696 1.00 31.69 H new ATOM 0 HD2 HIS A 761 33.600 -12.601 24.598 1.00 36.67 H new ATOM 0 HE1 HIS A 761 30.767 -13.433 21.975 1.00 34.91 H new ATOM 490 N GLN A 762 31.640 -10.721 28.774 1.00 25.10 N ATOM 491 CA GLN A 762 31.703 -9.691 29.810 1.00 27.14 C ATOM 492 C GLN A 762 32.018 -8.346 29.147 1.00 23.25 C ATOM 493 O GLN A 762 32.903 -8.275 28.309 1.00 21.72 O ATOM 494 CB GLN A 762 32.808 -9.990 30.814 1.00 33.06 C ATOM 495 CG GLN A 762 32.564 -11.235 31.690 1.00 39.95 C ATOM 496 CD GLN A 762 31.264 -11.153 32.452 1.00 44.88 C ATOM 497 OE1 GLN A 762 30.290 -11.867 32.148 1.00 50.76 O ATOM 498 NE2 GLN A 762 31.212 -10.257 33.423 1.00 46.01 N ATOM 0 H GLN A 762 32.382 -11.142 28.668 1.00 25.10 H new ATOM 0 HA GLN A 762 30.851 -9.669 30.272 1.00 27.14 H new ATOM 0 HB2 GLN A 762 33.642 -10.107 30.333 1.00 33.06 H new ATOM 0 HB3 GLN A 762 32.920 -9.219 31.393 1.00 33.06 H new ATOM 0 HG2 GLN A 762 32.558 -12.026 31.129 1.00 39.95 H new ATOM 0 HG3 GLN A 762 33.298 -11.336 32.316 1.00 39.95 H new ATOM 0 HE21 GLN A 762 31.904 -9.781 33.606 1.00 46.01 H new ATOM 0 HE22 GLN A 762 30.486 -10.151 33.871 1.00 46.01 H new ATOM 499 N GLU A 763 31.284 -7.317 29.530 1.00 24.04 N ATOM 500 CA GLU A 763 31.510 -5.980 28.922 1.00 26.08 C ATOM 501 C GLU A 763 32.959 -5.522 29.104 1.00 24.83 C ATOM 502 O GLU A 763 33.571 -4.950 28.208 1.00 22.99 O ATOM 503 CB GLU A 763 30.545 -4.932 29.530 1.00 29.09 C ATOM 504 CG GLU A 763 30.839 -3.503 29.038 1.00 27.11 C ATOM 505 CD GLU A 763 29.871 -2.409 29.499 1.00 32.87 C ATOM 506 OE1 GLU A 763 28.671 -2.567 29.435 1.00 33.71 O ATOM 507 OE2 GLU A 763 30.313 -1.323 29.849 1.00 34.85 O ATOM 0 H GLU A 763 30.662 -7.350 30.123 1.00 24.04 H new ATOM 0 HA GLU A 763 31.333 -6.059 27.972 1.00 26.08 H new ATOM 0 HB2 GLU A 763 29.632 -5.168 29.303 1.00 29.09 H new ATOM 0 HB3 GLU A 763 30.612 -4.958 30.497 1.00 29.09 H new ATOM 0 HG2 GLU A 763 31.732 -3.260 29.328 1.00 27.11 H new ATOM 0 HG3 GLU A 763 30.848 -3.512 28.068 1.00 27.11 H new ATOM 508 N SER A 764 33.552 -5.830 30.271 1.00 26.22 N ATOM 509 CA SER A 764 34.888 -5.350 30.563 1.00 25.13 C ATOM 510 C SER A 764 35.911 -5.942 29.579 1.00 25.50 C ATOM 511 O SER A 764 36.817 -5.236 29.132 1.00 25.41 O ATOM 512 CB SER A 764 35.223 -5.646 32.041 1.00 31.17 C ATOM 513 OG SER A 764 35.083 -7.046 32.318 1.00 34.10 O ATOM 0 H SER A 764 33.194 -6.309 30.889 1.00 26.22 H new ATOM 0 HA SER A 764 34.930 -4.389 30.440 1.00 25.13 H new ATOM 0 HB2 SER A 764 36.130 -5.361 32.236 1.00 31.17 H new ATOM 0 HB3 SER A 764 34.635 -5.136 32.620 1.00 31.17 H new ATOM 0 HG SER A 764 34.275 -7.224 32.462 1.00 34.10 H new ATOM 514 N GLU A 765 35.750 -7.221 29.199 1.00 25.06 N ATOM 515 CA GLU A 765 36.575 -7.854 28.168 1.00 26.67 C ATOM 516 C GLU A 765 36.353 -7.268 26.763 1.00 22.46 C ATOM 517 O GLU A 765 37.283 -7.027 26.022 1.00 22.89 O ATOM 518 CB GLU A 765 36.240 -9.386 28.100 1.00 30.34 C ATOM 519 CG GLU A 765 37.039 -10.142 27.009 1.00 33.44 C ATOM 520 CD GLU A 765 36.374 -10.253 25.600 1.00 37.98 C ATOM 521 OE1 GLU A 765 35.145 -10.515 25.492 1.00 40.57 O ATOM 522 OE2 GLU A 765 37.101 -10.097 24.567 1.00 38.43 O ATOM 0 H GLU A 765 35.156 -7.743 29.537 1.00 25.06 H new ATOM 0 HA GLU A 765 37.497 -7.691 28.421 1.00 26.67 H new ATOM 0 HB2 GLU A 765 36.423 -9.789 28.963 1.00 30.34 H new ATOM 0 HB3 GLU A 765 35.291 -9.496 27.931 1.00 30.34 H new ATOM 0 HG2 GLU A 765 37.898 -9.703 26.904 1.00 33.44 H new ATOM 0 HG3 GLU A 765 37.216 -11.040 27.331 1.00 33.44 H new ATOM 523 N VAL A 766 35.095 -7.054 26.398 1.00 20.65 N ATOM 524 CA VAL A 766 34.756 -6.406 25.102 1.00 21.44 C ATOM 525 C VAL A 766 35.420 -5.052 24.958 1.00 18.14 C ATOM 526 O VAL A 766 35.990 -4.768 23.903 1.00 19.27 O ATOM 527 CB VAL A 766 33.230 -6.348 24.908 1.00 23.04 C ATOM 528 CG1 VAL A 766 32.799 -5.502 23.686 1.00 24.52 C ATOM 529 CG2 VAL A 766 32.712 -7.780 24.764 1.00 25.09 C ATOM 0 H VAL A 766 34.413 -7.271 26.875 1.00 20.65 H new ATOM 0 HA VAL A 766 35.115 -6.953 24.386 1.00 21.44 H new ATOM 0 HB VAL A 766 32.847 -5.910 25.684 1.00 23.04 H new ATOM 0 HG11 VAL A 766 31.832 -5.503 23.616 1.00 24.52 H new ATOM 0 HG12 VAL A 766 33.114 -4.591 23.796 1.00 24.52 H new ATOM 0 HG13 VAL A 766 33.181 -5.881 22.879 1.00 24.52 H new ATOM 0 HG21 VAL A 766 31.750 -7.765 24.641 1.00 25.09 H new ATOM 0 HG22 VAL A 766 33.130 -8.200 23.996 1.00 25.09 H new ATOM 0 HG23 VAL A 766 32.927 -8.284 25.564 1.00 25.09 H new ATOM 530 N LEU A 767 35.357 -4.232 25.992 1.00 19.72 N ATOM 531 CA LEU A 767 35.916 -2.884 25.899 1.00 20.66 C ATOM 532 C LEU A 767 37.417 -2.832 25.619 1.00 23.47 C ATOM 533 O LEU A 767 37.912 -1.897 24.942 1.00 20.69 O ATOM 534 CB LEU A 767 35.538 -2.038 27.111 1.00 22.09 C ATOM 535 CG LEU A 767 34.046 -1.735 27.308 1.00 25.62 C ATOM 536 CD1 LEU A 767 33.835 -0.863 28.532 1.00 29.50 C ATOM 537 CD2 LEU A 767 33.356 -1.116 26.101 1.00 24.86 C ATOM 0 H LEU A 767 35.001 -4.427 26.750 1.00 19.72 H new ATOM 0 HA LEU A 767 35.505 -2.495 25.111 1.00 20.66 H new ATOM 0 HB2 LEU A 767 35.862 -2.488 27.907 1.00 22.09 H new ATOM 0 HB3 LEU A 767 36.012 -1.194 27.050 1.00 22.09 H new ATOM 0 HG LEU A 767 33.627 -2.601 27.435 1.00 25.62 H new ATOM 0 HD11 LEU A 767 32.888 -0.682 28.641 1.00 29.50 H new ATOM 0 HD12 LEU A 767 34.169 -1.323 29.318 1.00 29.50 H new ATOM 0 HD13 LEU A 767 34.313 -0.026 28.420 1.00 29.50 H new ATOM 0 HD21 LEU A 767 32.422 -0.957 26.308 1.00 24.86 H new ATOM 0 HD22 LEU A 767 33.785 -0.275 25.879 1.00 24.86 H new ATOM 0 HD23 LEU A 767 33.421 -1.721 25.345 1.00 24.86 H new ATOM 538 N MET A 768 38.193 -3.774 26.222 1.00 22.43 N ATOM 539 CA MET A 768 39.617 -3.869 25.985 1.00 24.09 C ATOM 540 C MET A 768 40.041 -4.435 24.672 1.00 25.47 C ATOM 541 O MET A 768 41.251 -4.352 24.352 1.00 25.27 O ATOM 542 CB MET A 768 40.280 -4.687 27.110 1.00 29.64 C ATOM 543 CG MET A 768 40.191 -3.927 28.409 1.00 41.21 C ATOM 544 SD MET A 768 40.733 -2.176 28.325 1.00 62.25 S ATOM 545 CE MET A 768 42.423 -2.269 27.752 1.00 50.33 C ATOM 0 H MET A 768 37.889 -4.361 26.772 1.00 22.43 H new ATOM 0 HA MET A 768 39.912 -2.945 25.970 1.00 24.09 H new ATOM 0 HB2 MET A 768 39.842 -5.548 27.198 1.00 29.64 H new ATOM 0 HB3 MET A 768 41.208 -4.863 26.891 1.00 29.64 H new ATOM 0 HG2 MET A 768 39.273 -3.952 28.720 1.00 41.21 H new ATOM 0 HG3 MET A 768 40.728 -4.386 29.074 1.00 41.21 H new ATOM 0 HE1 MET A 768 42.764 -1.373 27.603 1.00 50.33 H new ATOM 0 HE2 MET A 768 42.967 -2.715 28.420 1.00 50.33 H new ATOM 0 HE3 MET A 768 42.456 -2.769 26.922 1.00 50.33 H new ATOM 546 N ARG A 769 39.102 -4.915 23.827 1.00 20.28 N ATOM 547 CA ARG A 769 39.504 -5.410 22.544 1.00 20.90 C ATOM 548 C ARG A 769 40.121 -4.335 21.684 1.00 24.00 C ATOM 549 O ARG A 769 39.573 -3.265 21.586 1.00 18.53 O ATOM 550 CB ARG A 769 38.349 -6.040 21.811 1.00 21.18 C ATOM 551 CG ARG A 769 37.862 -7.300 22.467 1.00 23.70 C ATOM 552 CD ARG A 769 36.725 -7.794 21.650 1.00 27.24 C ATOM 553 NE ARG A 769 36.011 -8.822 22.365 1.00 31.45 N ATOM 554 CZ ARG A 769 34.833 -9.308 22.004 1.00 30.34 C ATOM 555 NH1 ARG A 769 34.160 -8.816 20.960 1.00 31.19 N ATOM 556 NH2 ARG A 769 34.304 -10.251 22.735 1.00 32.07 N ATOM 0 H ARG A 769 38.259 -4.953 23.992 1.00 20.28 H new ATOM 0 HA ARG A 769 40.179 -6.086 22.714 1.00 20.90 H new ATOM 0 HB2 ARG A 769 37.618 -5.404 21.759 1.00 21.18 H new ATOM 0 HB3 ARG A 769 38.618 -6.238 20.900 1.00 21.18 H new ATOM 0 HG2 ARG A 769 38.570 -7.962 22.509 1.00 23.70 H new ATOM 0 HG3 ARG A 769 37.581 -7.127 23.379 1.00 23.70 H new ATOM 0 HD2 ARG A 769 36.126 -7.061 21.440 1.00 27.24 H new ATOM 0 HD3 ARG A 769 37.052 -8.144 20.806 1.00 27.24 H new ATOM 0 HE ARG A 769 36.375 -9.142 23.075 1.00 31.45 H new ATOM 0 HH11 ARG A 769 34.490 -8.167 20.503 1.00 31.19 H new ATOM 0 HH12 ARG A 769 33.397 -9.149 20.745 1.00 31.19 H new ATOM 0 HH21 ARG A 769 34.719 -10.540 23.430 1.00 32.07 H new ATOM 0 HH22 ARG A 769 33.540 -10.583 22.522 1.00 32.07 H new ATOM 557 N GLN A 770 41.197 -4.677 20.982 1.00 21.72 N ATOM 558 CA GLN A 770 41.733 -3.839 19.963 1.00 24.26 C ATOM 559 C GLN A 770 40.795 -3.712 18.741 1.00 22.67 C ATOM 560 O GLN A 770 40.127 -4.652 18.322 1.00 24.02 O ATOM 561 CB GLN A 770 43.099 -4.354 19.495 1.00 25.59 C ATOM 562 CG GLN A 770 44.080 -4.248 20.657 1.00 33.89 C ATOM 563 CD GLN A 770 45.437 -4.853 20.366 1.00 40.30 C ATOM 564 OE1 GLN A 770 45.757 -5.217 19.233 1.00 54.56 O ATOM 565 NE2 GLN A 770 46.226 -5.008 21.416 1.00 46.16 N ATOM 0 H GLN A 770 41.629 -5.412 21.097 1.00 21.72 H new ATOM 0 HA GLN A 770 41.829 -2.959 20.360 1.00 24.26 H new ATOM 0 HB2 GLN A 770 43.028 -5.274 19.197 1.00 25.59 H new ATOM 0 HB3 GLN A 770 43.414 -3.834 18.739 1.00 25.59 H new ATOM 0 HG2 GLN A 770 44.195 -3.313 20.889 1.00 33.89 H new ATOM 0 HG3 GLN A 770 43.699 -4.688 21.433 1.00 33.89 H new ATOM 0 HE21 GLN A 770 45.967 -4.741 22.191 1.00 46.16 H new ATOM 0 HE22 GLN A 770 46.998 -5.376 21.323 1.00 46.16 H new ATOM 566 N MET A 771 40.816 -2.545 18.165 1.00 21.50 N ATOM 567 CA MET A 771 40.040 -2.289 16.960 1.00 24.51 C ATOM 568 C MET A 771 40.614 -2.933 15.651 1.00 23.69 C ATOM 569 O MET A 771 40.973 -2.261 14.694 1.00 22.66 O ATOM 570 CB MET A 771 39.806 -0.796 16.828 1.00 24.73 C ATOM 571 CG MET A 771 38.890 -0.285 17.896 1.00 29.67 C ATOM 572 SD MET A 771 37.129 -0.603 17.459 1.00 27.71 S ATOM 573 CE MET A 771 36.717 1.073 16.947 1.00 32.25 C ATOM 0 H MET A 771 41.273 -1.873 18.448 1.00 21.50 H new ATOM 0 HA MET A 771 39.190 -2.743 17.068 1.00 24.51 H new ATOM 0 HB2 MET A 771 40.655 -0.329 16.878 1.00 24.73 H new ATOM 0 HB3 MET A 771 39.427 -0.603 15.956 1.00 24.73 H new ATOM 0 HG2 MET A 771 39.100 -0.714 18.740 1.00 29.67 H new ATOM 0 HG3 MET A 771 39.030 0.667 18.019 1.00 29.67 H new ATOM 0 HE1 MET A 771 35.793 1.104 16.654 1.00 32.25 H new ATOM 0 HE2 MET A 771 36.840 1.679 17.694 1.00 32.25 H new ATOM 0 HE3 MET A 771 37.296 1.340 16.216 1.00 32.25 H new ATOM 574 N LEU A 772 40.672 -4.270 15.631 1.00 24.51 N ATOM 575 CA LEU A 772 40.950 -5.011 14.429 1.00 25.47 C ATOM 576 C LEU A 772 39.713 -4.900 13.486 1.00 24.89 C ATOM 577 O LEU A 772 38.638 -4.525 13.964 1.00 24.78 O ATOM 578 CB LEU A 772 41.157 -6.474 14.791 1.00 27.45 C ATOM 579 CG LEU A 772 42.403 -6.794 15.650 1.00 33.64 C ATOM 580 CD1 LEU A 772 42.439 -8.289 16.007 1.00 36.12 C ATOM 581 CD2 LEU A 772 43.625 -6.431 14.849 1.00 34.79 C ATOM 0 H LEU A 772 40.548 -4.762 16.326 1.00 24.51 H new ATOM 0 HA LEU A 772 41.742 -4.661 13.992 1.00 25.47 H new ATOM 0 HB2 LEU A 772 40.371 -6.785 15.266 1.00 27.45 H new ATOM 0 HB3 LEU A 772 41.213 -6.987 13.969 1.00 27.45 H new ATOM 0 HG LEU A 772 42.374 -6.287 16.477 1.00 33.64 H new ATOM 0 HD11 LEU A 772 43.225 -8.475 16.545 1.00 36.12 H new ATOM 0 HD12 LEU A 772 41.642 -8.521 16.509 1.00 36.12 H new ATOM 0 HD13 LEU A 772 42.473 -8.816 15.193 1.00 36.12 H new ATOM 0 HD21 LEU A 772 44.421 -6.623 15.368 1.00 34.79 H new ATOM 0 HD22 LEU A 772 43.641 -6.950 14.029 1.00 34.79 H new ATOM 0 HD23 LEU A 772 43.601 -5.486 14.632 1.00 34.79 H new ATOM 582 N PRO A 773 39.841 -5.235 12.195 1.00 26.03 N ATOM 583 CA PRO A 773 38.754 -5.190 11.210 1.00 26.24 C ATOM 584 C PRO A 773 37.361 -5.622 11.683 1.00 26.41 C ATOM 585 O PRO A 773 36.368 -4.908 11.418 1.00 26.66 O ATOM 586 CB PRO A 773 39.269 -6.138 10.096 1.00 27.49 C ATOM 587 CG PRO A 773 40.718 -5.882 10.085 1.00 26.95 C ATOM 588 CD PRO A 773 41.094 -5.682 11.538 1.00 29.33 C ATOM 0 HA PRO A 773 38.590 -4.270 10.950 1.00 26.24 H new ATOM 0 HB2 PRO A 773 39.070 -7.066 10.294 1.00 27.49 H new ATOM 0 HB3 PRO A 773 38.863 -5.938 9.238 1.00 27.49 H new ATOM 0 HG2 PRO A 773 41.203 -6.627 9.696 1.00 26.95 H new ATOM 0 HG3 PRO A 773 40.932 -5.097 9.556 1.00 26.95 H new ATOM 0 HD2 PRO A 773 41.425 -6.504 11.933 1.00 29.33 H new ATOM 0 HD3 PRO A 773 41.797 -5.020 11.632 1.00 29.33 H new ATOM 589 N GLU A 774 37.270 -6.734 12.396 1.00 27.16 N ATOM 590 CA AGLU A 774 35.971 -7.235 12.898 0.49 27.05 C ATOM 591 CA BGLU A 774 35.940 -7.182 12.837 0.51 27.72 C ATOM 592 C GLU A 774 35.338 -6.322 13.961 1.00 24.96 C ATOM 593 O GLU A 774 34.141 -6.051 13.915 1.00 21.17 O ATOM 594 CB AGLU A 774 36.125 -8.631 13.493 0.49 27.24 C ATOM 595 CB BGLU A 774 35.935 -8.673 13.156 0.51 28.74 C ATOM 596 CG AGLU A 774 34.818 -9.264 13.932 0.49 30.54 C ATOM 597 CG BGLU A 774 36.131 -9.474 11.874 0.51 33.57 C ATOM 598 CD AGLU A 774 34.987 -10.698 14.386 0.49 34.78 C ATOM 599 CD BGLU A 774 35.817 -10.954 11.997 0.51 35.74 C ATOM 600 OE1AGLU A 774 35.764 -11.433 13.749 0.49 38.50 O ATOM 601 OE1BGLU A 774 35.694 -11.474 13.119 0.51 40.13 O ATOM 602 OE2AGLU A 774 34.332 -11.076 15.384 0.49 40.14 O ATOM 603 OE2BGLU A 774 35.668 -11.579 10.931 0.51 39.14 O ATOM 0 H AGLU A 774 37.944 -7.224 12.608 0.49 27.16 H new ATOM 0 H BGLU A 774 37.931 -7.232 12.632 0.51 27.16 H new ATOM 0 HA AGLU A 774 35.382 -7.253 12.127 0.49 27.72 H new ATOM 0 HA BGLU A 774 35.342 -7.048 12.085 0.51 27.72 H new ATOM 0 HB2AGLU A 774 36.548 -9.207 12.837 0.49 28.74 H new ATOM 0 HB2BGLU A 774 36.641 -8.880 13.788 0.51 28.74 H new ATOM 0 HB3AGLU A 774 36.722 -8.583 14.256 0.49 28.74 H new ATOM 0 HB3BGLU A 774 35.097 -8.920 13.577 0.51 28.74 H new ATOM 0 HG2AGLU A 774 34.437 -8.742 14.656 0.49 33.57 H new ATOM 0 HG2BGLU A 774 35.570 -9.093 11.180 0.51 33.57 H new ATOM 0 HG3AGLU A 774 34.185 -9.234 13.197 0.49 33.57 H new ATOM 0 HG3BGLU A 774 37.051 -9.374 11.582 0.51 33.57 H new ATOM 604 N GLU A 775 36.153 -5.836 14.899 1.00 22.06 N ATOM 605 CA AGLU A 775 35.670 -4.907 15.907 0.55 25.41 C ATOM 606 CA BGLU A 775 35.698 -4.889 15.913 0.45 23.56 C ATOM 607 C GLU A 775 35.326 -3.532 15.313 1.00 23.01 C ATOM 608 O GLU A 775 34.346 -2.927 15.706 1.00 21.43 O ATOM 609 CB AGLU A 775 36.643 -4.754 17.061 0.55 28.88 C ATOM 610 CB BGLU A 775 36.726 -4.678 17.012 0.45 24.59 C ATOM 611 CG AGLU A 775 37.033 -6.066 17.734 0.55 34.21 C ATOM 612 CG BGLU A 775 36.673 -5.745 18.087 0.45 25.85 C ATOM 613 CD AGLU A 775 35.846 -6.888 18.233 0.55 37.81 C ATOM 614 CD BGLU A 775 37.184 -7.117 17.595 0.45 27.31 C ATOM 615 OE1AGLU A 775 35.054 -6.325 18.986 0.55 38.41 O ATOM 616 OE1BGLU A 775 38.016 -7.170 16.651 0.45 28.21 O ATOM 617 OE2AGLU A 775 35.718 -8.084 17.900 0.55 36.41 O ATOM 618 OE2BGLU A 775 36.741 -8.135 18.169 0.45 27.68 O ATOM 0 H AGLU A 775 36.987 -6.035 14.965 0.55 22.06 H new ATOM 0 H BGLU A 775 36.984 -6.047 14.963 0.45 22.06 H new ATOM 0 HA AGLU A 775 34.852 -5.296 16.255 0.55 23.56 H new ATOM 0 HA BGLU A 775 34.905 -5.291 16.300 0.45 23.56 H new ATOM 0 HB2AGLU A 775 37.447 -4.318 16.737 0.55 24.59 H new ATOM 0 HB2BGLU A 775 37.613 -4.665 16.620 0.45 24.59 H new ATOM 0 HB3AGLU A 775 36.250 -4.167 17.725 0.55 24.59 H new ATOM 0 HB3BGLU A 775 36.583 -3.809 17.419 0.45 24.59 H new ATOM 0 HG2AGLU A 775 37.543 -6.601 17.106 0.55 25.85 H new ATOM 0 HG2BGLU A 775 37.205 -5.460 18.846 0.45 25.85 H new ATOM 0 HG3AGLU A 775 37.618 -5.873 18.483 0.55 25.85 H new ATOM 0 HG3BGLU A 775 35.759 -5.838 18.400 0.45 25.85 H new ATOM 619 N GLN A 776 36.127 -3.071 14.388 1.00 21.29 N ATOM 620 CA GLN A 776 35.877 -1.839 13.655 1.00 21.88 C ATOM 621 C GLN A 776 34.514 -1.891 12.962 1.00 20.88 C ATOM 622 O GLN A 776 33.723 -0.923 13.088 1.00 19.20 O ATOM 623 CB GLN A 776 37.027 -1.547 12.655 1.00 22.30 C ATOM 624 CG GLN A 776 36.845 -0.362 11.715 1.00 24.36 C ATOM 625 CD GLN A 776 37.203 1.003 12.273 1.00 24.04 C ATOM 626 OE1 GLN A 776 38.007 1.143 13.216 1.00 23.81 O ATOM 627 NE2 GLN A 776 36.651 2.028 11.660 1.00 25.55 N ATOM 0 H GLN A 776 36.853 -3.469 14.155 1.00 21.29 H new ATOM 0 HA GLN A 776 35.854 -1.103 14.286 1.00 21.88 H new ATOM 0 HB2 GLN A 776 37.840 -1.405 13.164 1.00 22.30 H new ATOM 0 HB3 GLN A 776 37.165 -2.341 12.115 1.00 22.30 H new ATOM 0 HG2 GLN A 776 37.383 -0.517 10.923 1.00 24.36 H new ATOM 0 HG3 GLN A 776 35.918 -0.340 11.429 1.00 24.36 H new ATOM 0 HE21 GLN A 776 36.100 1.896 11.013 1.00 25.55 H new ATOM 0 HE22 GLN A 776 36.841 2.830 11.906 1.00 25.55 H new ATOM 628 N LEU A 777 34.227 -2.989 12.275 1.00 20.47 N ATOM 629 CA LEU A 777 32.941 -3.197 11.633 1.00 22.76 C ATOM 630 C LEU A 777 31.771 -3.210 12.613 1.00 21.03 C ATOM 631 O LEU A 777 30.722 -2.621 12.308 1.00 17.92 O ATOM 632 CB LEU A 777 32.909 -4.499 10.897 1.00 25.85 C ATOM 633 CG LEU A 777 31.740 -4.628 9.914 1.00 30.74 C ATOM 634 CD1 LEU A 777 31.914 -3.729 8.706 1.00 32.75 C ATOM 635 CD2 LEU A 777 31.572 -6.116 9.573 1.00 35.35 C ATOM 0 H LEU A 777 34.780 -3.639 12.168 1.00 20.47 H new ATOM 0 HA LEU A 777 32.841 -2.445 11.028 1.00 22.76 H new ATOM 0 HB2 LEU A 777 33.742 -4.606 10.411 1.00 25.85 H new ATOM 0 HB3 LEU A 777 32.860 -5.223 11.541 1.00 25.85 H new ATOM 0 HG LEU A 777 30.916 -4.315 10.319 1.00 30.74 H new ATOM 0 HD11 LEU A 777 31.157 -3.838 8.109 1.00 32.75 H new ATOM 0 HD12 LEU A 777 31.966 -2.805 8.995 1.00 32.75 H new ATOM 0 HD13 LEU A 777 32.730 -3.968 8.239 1.00 32.75 H new ATOM 0 HD21 LEU A 777 30.836 -6.224 8.950 1.00 35.35 H new ATOM 0 HD22 LEU A 777 32.388 -6.450 9.169 1.00 35.35 H new ATOM 0 HD23 LEU A 777 31.385 -6.615 10.384 1.00 35.35 H new ATOM 636 N LYS A 778 31.927 -3.918 13.731 1.00 19.14 N ATOM 637 CA ALYS A 778 30.899 -3.934 14.783 0.17 19.43 C ATOM 638 CA BLYS A 778 30.893 -3.933 14.779 0.83 21.15 C ATOM 639 C LYS A 778 30.596 -2.538 15.342 1.00 17.67 C ATOM 640 O LYS A 778 29.415 -2.211 15.628 1.00 17.94 O ATOM 641 CB ALYS A 778 31.274 -4.900 15.912 0.17 20.02 C ATOM 642 CB BLYS A 778 31.219 -4.962 15.857 0.83 22.25 C ATOM 643 CG ALYS A 778 31.106 -6.362 15.531 0.17 21.59 C ATOM 644 CG BLYS A 778 31.067 -6.402 15.355 0.83 28.42 C ATOM 645 CD ALYS A 778 31.316 -7.291 16.719 0.17 22.68 C ATOM 646 CD BLYS A 778 31.354 -7.413 16.477 0.83 34.75 C ATOM 647 CE ALYS A 778 31.068 -8.735 16.309 0.17 24.14 C ATOM 648 CE BLYS A 778 31.032 -8.843 16.021 0.83 42.07 C ATOM 649 NZ ALYS A 778 32.260 -9.372 15.676 0.17 24.62 N ATOM 650 NZ BLYS A 778 30.680 -9.763 17.168 0.83 45.85 N ATOM 0 H ALYS A 778 32.620 -4.397 13.903 0.17 19.14 H new ATOM 0 H BLYS A 778 32.620 -4.396 13.906 0.83 19.14 H new ATOM 0 HA ALYS A 778 30.085 -4.251 14.362 0.17 21.15 H new ATOM 0 HA BLYS A 778 30.063 -4.215 14.363 0.83 21.15 H new ATOM 0 HB2ALYS A 778 32.196 -4.743 16.171 0.17 22.25 H new ATOM 0 HB2BLYS A 778 32.128 -4.825 16.168 0.83 22.25 H new ATOM 0 HB3ALYS A 778 30.725 -4.709 16.689 0.17 22.25 H new ATOM 0 HB3BLYS A 778 30.635 -4.824 16.619 0.83 22.25 H new ATOM 0 HG2ALYS A 778 30.218 -6.500 15.167 0.17 28.42 H new ATOM 0 HG2BLYS A 778 30.168 -6.536 15.017 0.83 28.42 H new ATOM 0 HG3ALYS A 778 31.738 -6.587 14.830 0.17 28.42 H new ATOM 0 HG3BLYS A 778 31.674 -6.555 14.614 0.83 28.42 H new ATOM 0 HD2ALYS A 778 32.220 -7.195 17.057 0.17 34.75 H new ATOM 0 HD2BLYS A 778 32.286 -7.355 16.739 0.83 34.75 H new ATOM 0 HD3ALYS A 778 30.716 -7.045 17.440 0.17 34.75 H new ATOM 0 HD3BLYS A 778 30.825 -7.192 17.260 0.83 34.75 H new ATOM 0 HE2ALYS A 778 30.809 -9.248 17.090 0.17 42.07 H new ATOM 0 HE2BLYS A 778 30.292 -8.818 15.394 0.83 42.07 H new ATOM 0 HE3ALYS A 778 30.323 -8.767 15.689 0.17 42.07 H new ATOM 0 HE3BLYS A 778 31.796 -9.205 15.545 0.83 42.07 H new ATOM 0 HZ1ALYS A 778 32.161 -10.256 15.679 0.17 45.85 H new ATOM 0 HZ1BLYS A 778 30.350 -10.525 16.847 0.83 45.85 H new ATOM 0 HZ2ALYS A 778 32.339 -9.086 14.837 0.17 45.85 H new ATOM 0 HZ2BLYS A 778 31.411 -9.935 17.646 0.83 45.85 H new ATOM 0 HZ3ALYS A 778 32.992 -9.154 16.134 0.17 45.85 H new ATOM 0 HZ3BLYS A 778 30.072 -9.372 17.687 0.83 45.85 H new ATOM 651 N CYS A 779 31.623 -1.719 15.526 1.00 17.06 N ATOM 652 CA CYS A 779 31.399 -0.361 16.037 1.00 17.49 C ATOM 653 C CYS A 779 30.704 0.485 14.961 1.00 17.90 C ATOM 654 O CYS A 779 29.835 1.260 15.292 1.00 17.54 O ATOM 655 CB CYS A 779 32.661 0.329 16.474 1.00 17.24 C ATOM 656 SG CYS A 779 33.414 -0.422 17.975 1.00 21.50 S ATOM 0 H CYS A 779 32.444 -1.919 15.367 1.00 17.06 H new ATOM 0 HA CYS A 779 30.839 -0.449 16.824 1.00 17.49 H new ATOM 0 HB2 CYS A 779 33.305 0.303 15.749 1.00 17.24 H new ATOM 0 HB3 CYS A 779 32.468 1.263 16.649 1.00 17.24 H new ATOM 0 HG CYS A 779 33.126 0.233 18.938 1.00 21.50 H new ATOM 657 N GLU A 780 31.119 0.361 13.709 1.00 18.96 N ATOM 658 CA GLU A 780 30.426 1.034 12.586 1.00 18.68 C ATOM 659 C GLU A 780 28.949 0.667 12.554 1.00 17.52 C ATOM 660 O GLU A 780 28.086 1.547 12.415 1.00 17.38 O ATOM 661 CB GLU A 780 31.132 0.752 11.238 1.00 20.03 C ATOM 662 CG GLU A 780 32.507 1.344 11.139 1.00 21.83 C ATOM 663 CD GLU A 780 33.437 0.797 10.015 1.00 27.68 C ATOM 664 OE1 GLU A 780 33.080 -0.294 9.458 1.00 29.72 O ATOM 665 OE2 GLU A 780 34.542 1.453 9.687 1.00 29.98 O ATOM 0 H GLU A 780 31.801 -0.107 13.475 1.00 18.96 H new ATOM 0 HA GLU A 780 30.476 1.992 12.732 1.00 18.68 H new ATOM 0 HB2 GLU A 780 31.192 -0.207 11.108 1.00 20.03 H new ATOM 0 HB3 GLU A 780 30.586 1.102 10.517 1.00 20.03 H new ATOM 0 HG2 GLU A 780 32.414 2.301 11.013 1.00 21.83 H new ATOM 0 HG3 GLU A 780 32.954 1.212 11.990 1.00 21.83 H new ATOM 666 N PHE A 781 28.611 -0.604 12.748 1.00 16.02 N ATOM 667 CA PHE A 781 27.232 -1.044 12.734 1.00 16.92 C ATOM 668 C PHE A 781 26.411 -0.512 13.930 1.00 15.95 C ATOM 669 O PHE A 781 25.276 -0.059 13.761 1.00 17.01 O ATOM 670 CB PHE A 781 27.215 -2.582 12.802 1.00 17.56 C ATOM 671 CG PHE A 781 25.849 -3.222 12.618 1.00 18.78 C ATOM 672 CD1 PHE A 781 25.077 -2.888 11.516 1.00 21.02 C ATOM 673 CD2 PHE A 781 25.405 -4.189 13.447 1.00 19.39 C ATOM 674 CE1 PHE A 781 23.863 -3.496 11.297 1.00 22.22 C ATOM 675 CE2 PHE A 781 24.206 -4.812 13.255 1.00 21.46 C ATOM 676 CZ PHE A 781 23.429 -4.459 12.164 1.00 22.16 C ATOM 0 H PHE A 781 29.180 -1.233 12.891 1.00 16.02 H new ATOM 0 HA PHE A 781 26.829 -0.700 11.921 1.00 16.92 H new ATOM 0 HB2 PHE A 781 27.813 -2.928 12.121 1.00 17.56 H new ATOM 0 HB3 PHE A 781 27.573 -2.858 13.661 1.00 17.56 H new ATOM 0 HD1 PHE A 781 25.384 -2.245 10.918 1.00 21.02 H new ATOM 0 HD2 PHE A 781 25.932 -4.439 14.171 1.00 19.39 H new ATOM 0 HE1 PHE A 781 23.342 -3.254 10.566 1.00 22.22 H new ATOM 0 HE2 PHE A 781 23.914 -5.465 13.849 1.00 21.46 H new ATOM 0 HZ PHE A 781 22.611 -4.878 12.021 1.00 22.16 H new ATOM 677 N LEU A 782 27.015 -0.520 15.115 1.00 17.30 N ATOM 678 CA LEU A 782 26.434 0.009 16.307 1.00 16.84 C ATOM 679 C LEU A 782 26.139 1.507 16.093 1.00 15.49 C ATOM 680 O LEU A 782 25.025 1.984 16.410 1.00 16.00 O ATOM 681 CB LEU A 782 27.344 -0.235 17.491 1.00 17.44 C ATOM 682 CG LEU A 782 26.951 0.371 18.821 1.00 17.59 C ATOM 683 CD1 LEU A 782 25.531 0.160 19.201 1.00 21.96 C ATOM 684 CD2 LEU A 782 27.827 -0.235 19.942 1.00 19.37 C ATOM 0 H LEU A 782 27.801 -0.848 15.235 1.00 17.30 H new ATOM 0 HA LEU A 782 25.597 -0.441 16.503 1.00 16.84 H new ATOM 0 HB2 LEU A 782 27.424 -1.194 17.613 1.00 17.44 H new ATOM 0 HB3 LEU A 782 28.226 0.096 17.262 1.00 17.44 H new ATOM 0 HG LEU A 782 27.084 1.326 18.717 1.00 17.59 H new ATOM 0 HD11 LEU A 782 25.361 0.576 20.060 1.00 21.96 H new ATOM 0 HD12 LEU A 782 24.954 0.557 18.530 1.00 21.96 H new ATOM 0 HD13 LEU A 782 25.350 -0.791 19.261 1.00 21.96 H new ATOM 0 HD21 LEU A 782 27.576 0.153 20.795 1.00 19.37 H new ATOM 0 HD22 LEU A 782 27.695 -1.195 19.973 1.00 19.37 H new ATOM 0 HD23 LEU A 782 28.761 -0.043 19.763 1.00 19.37 H new ATOM 685 N LEU A 783 27.099 2.256 15.516 1.00 15.93 N ATOM 686 CA LEU A 783 26.839 3.673 15.171 1.00 15.16 C ATOM 687 C LEU A 783 25.686 3.868 14.211 1.00 16.65 C ATOM 688 O LEU A 783 24.780 4.720 14.436 1.00 15.87 O ATOM 689 CB LEU A 783 28.098 4.316 14.685 1.00 17.17 C ATOM 690 CG LEU A 783 28.098 5.803 14.377 1.00 17.44 C ATOM 691 CD1 LEU A 783 27.541 6.610 15.532 1.00 18.36 C ATOM 692 CD2 LEU A 783 29.463 6.289 13.891 1.00 17.93 C ATOM 0 H LEU A 783 27.887 1.973 15.320 1.00 15.93 H new ATOM 0 HA LEU A 783 26.553 4.118 15.984 1.00 15.16 H new ATOM 0 HB2 LEU A 783 28.784 4.156 15.352 1.00 17.17 H new ATOM 0 HB3 LEU A 783 28.371 3.851 13.879 1.00 17.17 H new ATOM 0 HG LEU A 783 27.494 5.951 13.633 1.00 17.44 H new ATOM 0 HD11 LEU A 783 27.555 7.553 15.305 1.00 18.36 H new ATOM 0 HD12 LEU A 783 26.628 6.334 15.710 1.00 18.36 H new ATOM 0 HD13 LEU A 783 28.083 6.461 16.322 1.00 18.36 H new ATOM 0 HD21 LEU A 783 29.421 7.240 13.706 1.00 17.93 H new ATOM 0 HD22 LEU A 783 30.129 6.123 14.576 1.00 17.93 H new ATOM 0 HD23 LEU A 783 29.707 5.813 13.082 1.00 17.93 H new ATOM 693 N LEU A 784 25.635 3.001 13.198 1.00 16.06 N ATOM 694 CA LEU A 784 24.554 3.001 12.250 1.00 17.17 C ATOM 695 C LEU A 784 23.214 2.741 12.871 1.00 17.60 C ATOM 696 O LEU A 784 22.230 3.478 12.570 1.00 19.94 O ATOM 697 CB LEU A 784 24.843 2.067 11.066 1.00 17.38 C ATOM 698 CG LEU A 784 23.749 2.011 9.998 1.00 19.39 C ATOM 699 CD1 LEU A 784 24.309 2.111 8.624 1.00 22.23 C ATOM 700 CD2 LEU A 784 22.929 0.764 10.148 1.00 22.74 C ATOM 0 H LEU A 784 26.233 2.401 13.052 1.00 16.06 H new ATOM 0 HA LEU A 784 24.500 3.904 11.901 1.00 17.17 H new ATOM 0 HB2 LEU A 784 25.671 2.348 10.646 1.00 17.38 H new ATOM 0 HB3 LEU A 784 24.988 1.171 11.407 1.00 17.38 H new ATOM 0 HG LEU A 784 23.173 2.780 10.131 1.00 19.39 H new ATOM 0 HD11 LEU A 784 23.588 2.072 7.977 1.00 22.23 H new ATOM 0 HD12 LEU A 784 24.784 2.951 8.528 1.00 22.23 H new ATOM 0 HD13 LEU A 784 24.922 1.375 8.470 1.00 22.23 H new ATOM 0 HD21 LEU A 784 22.241 0.745 9.464 1.00 22.74 H new ATOM 0 HD22 LEU A 784 23.501 -0.013 10.053 1.00 22.74 H new ATOM 0 HD23 LEU A 784 22.513 0.753 11.024 1.00 22.74 H new ATOM 701 N LYS A 785 23.123 1.804 13.806 1.00 16.56 N ATOM 702 CA LYS A 785 21.914 1.516 14.537 1.00 17.30 C ATOM 703 C LYS A 785 21.400 2.712 15.344 1.00 17.96 C ATOM 704 O LYS A 785 20.177 2.969 15.396 1.00 18.34 O ATOM 705 CB LYS A 785 22.093 0.268 15.419 1.00 20.31 C ATOM 706 CG LYS A 785 22.150 -1.044 14.637 1.00 23.04 C ATOM 707 CD LYS A 785 20.758 -1.362 14.076 1.00 30.68 C ATOM 708 CE LYS A 785 20.715 -2.795 13.653 1.00 41.14 C ATOM 709 NZ LYS A 785 19.326 -3.288 13.582 1.00 46.26 N ATOM 0 H LYS A 785 23.787 1.307 14.034 1.00 16.56 H new ATOM 0 HA LYS A 785 21.227 1.328 13.879 1.00 17.30 H new ATOM 0 HB2 LYS A 785 22.909 0.362 15.934 1.00 20.31 H new ATOM 0 HB3 LYS A 785 21.360 0.224 16.053 1.00 20.31 H new ATOM 0 HG2 LYS A 785 22.793 -0.974 13.914 1.00 23.04 H new ATOM 0 HG3 LYS A 785 22.449 -1.764 15.214 1.00 23.04 H new ATOM 0 HD2 LYS A 785 20.080 -1.191 14.748 1.00 30.68 H new ATOM 0 HD3 LYS A 785 20.562 -0.785 13.322 1.00 30.68 H new ATOM 0 HE2 LYS A 785 21.140 -2.892 12.787 1.00 41.14 H new ATOM 0 HE3 LYS A 785 21.221 -3.335 14.280 1.00 41.14 H new ATOM 0 HZ1 LYS A 785 19.326 -4.141 13.329 1.00 46.26 H new ATOM 0 HZ2 LYS A 785 18.944 -3.217 14.383 1.00 46.26 H new ATOM 0 HZ3 LYS A 785 18.869 -2.804 12.992 1.00 46.26 H new ATOM 710 N VAL A 786 22.306 3.521 15.869 1.00 16.94 N ATOM 711 CA VAL A 786 21.870 4.768 16.518 1.00 15.98 C ATOM 712 C VAL A 786 21.318 5.797 15.496 1.00 17.28 C ATOM 713 O VAL A 786 20.277 6.418 15.743 1.00 18.35 O ATOM 714 CB VAL A 786 22.993 5.387 17.397 1.00 17.04 C ATOM 715 CG1 VAL A 786 22.630 6.785 17.933 1.00 15.90 C ATOM 716 CG2 VAL A 786 23.342 4.402 18.507 1.00 15.95 C ATOM 0 H VAL A 786 23.155 3.382 15.867 1.00 16.94 H new ATOM 0 HA VAL A 786 21.138 4.531 17.108 1.00 15.98 H new ATOM 0 HB VAL A 786 23.778 5.534 16.847 1.00 17.04 H new ATOM 0 HG11 VAL A 786 23.361 7.125 18.473 1.00 15.90 H new ATOM 0 HG12 VAL A 786 22.472 7.386 17.188 1.00 15.90 H new ATOM 0 HG13 VAL A 786 21.828 6.726 18.476 1.00 15.90 H new ATOM 0 HG21 VAL A 786 24.043 4.776 19.064 1.00 15.95 H new ATOM 0 HG22 VAL A 786 22.555 4.232 19.048 1.00 15.95 H new ATOM 0 HG23 VAL A 786 23.650 3.570 18.116 1.00 15.95 H new ATOM 717 N TYR A 787 21.994 5.975 14.355 1.00 17.30 N ATOM 718 CA TYR A 787 21.492 6.865 13.286 1.00 17.33 C ATOM 719 C TYR A 787 20.147 6.394 12.752 1.00 20.26 C ATOM 720 O TYR A 787 19.360 7.246 12.324 1.00 20.11 O ATOM 721 CB TYR A 787 22.494 7.085 12.144 1.00 16.91 C ATOM 722 CG TYR A 787 23.633 8.019 12.351 1.00 17.82 C ATOM 723 CD1 TYR A 787 23.498 9.403 12.106 1.00 22.10 C ATOM 724 CD2 TYR A 787 24.868 7.579 12.687 1.00 16.47 C ATOM 725 CE1 TYR A 787 24.562 10.261 12.253 1.00 21.14 C ATOM 726 CE2 TYR A 787 25.921 8.424 12.812 1.00 16.93 C ATOM 727 CZ TYR A 787 25.780 9.775 12.578 1.00 20.08 C ATOM 728 OH TYR A 787 26.843 10.632 12.642 1.00 17.05 O ATOM 0 H TYR A 787 22.743 5.593 14.176 1.00 17.30 H new ATOM 0 HA TYR A 787 21.370 7.731 13.705 1.00 17.33 H new ATOM 0 HB2 TYR A 787 22.864 6.220 11.909 1.00 16.91 H new ATOM 0 HB3 TYR A 787 21.995 7.399 11.374 1.00 16.91 H new ATOM 0 HD1 TYR A 787 22.673 9.741 11.840 1.00 22.10 H new ATOM 0 HD2 TYR A 787 24.998 6.670 12.837 1.00 16.47 H new ATOM 0 HE1 TYR A 787 24.444 11.175 12.129 1.00 21.14 H new ATOM 0 HE2 TYR A 787 26.752 8.087 13.060 1.00 16.93 H new ATOM 0 HH TYR A 787 26.632 11.367 12.294 1.00 17.05 H new ATOM 729 N CYS A 788 19.841 5.096 12.806 1.00 16.82 N ATOM 730 CA CYS A 788 18.561 4.599 12.362 1.00 22.94 C ATOM 731 C CYS A 788 17.367 5.154 13.178 1.00 24.72 C ATOM 732 O CYS A 788 16.256 5.135 12.701 1.00 24.11 O ATOM 733 CB CYS A 788 18.454 3.085 12.372 1.00 20.57 C ATOM 734 SG CYS A 788 19.452 2.270 11.109 1.00 24.79 S ATOM 0 H CYS A 788 20.374 4.489 13.101 1.00 16.82 H new ATOM 0 HA CYS A 788 18.511 4.919 11.448 1.00 22.94 H new ATOM 0 HB2 CYS A 788 18.722 2.757 13.245 1.00 20.57 H new ATOM 0 HB3 CYS A 788 17.525 2.835 12.248 1.00 20.57 H new ATOM 0 HG CYS A 788 20.614 2.492 11.311 1.00 24.79 H new ATOM 735 N ASP A 789 17.606 5.573 14.387 1.00 22.90 N ATOM 736 CA ASP A 789 16.519 6.207 15.210 1.00 25.63 C ATOM 737 C ASP A 789 16.368 7.634 14.850 1.00 22.73 C ATOM 738 O ASP A 789 17.337 8.397 14.890 1.00 19.24 O ATOM 739 CB ASP A 789 16.802 6.096 16.710 1.00 28.08 C ATOM 740 CG ASP A 789 15.530 6.324 17.548 1.00 38.20 C ATOM 741 OD1 ASP A 789 15.115 7.507 17.765 1.00 35.21 O ATOM 742 OD2 ASP A 789 14.902 5.267 17.928 1.00 38.58 O ATOM 0 H ASP A 789 18.370 5.517 14.779 1.00 22.90 H new ATOM 0 HA ASP A 789 15.698 5.728 15.017 1.00 25.63 H new ATOM 0 HB2 ASP A 789 17.167 5.219 16.907 1.00 28.08 H new ATOM 0 HB3 ASP A 789 17.476 6.746 16.961 1.00 28.08 H new ATOM 743 N SER A 790 15.124 8.080 14.588 1.00 22.86 N ATOM 744 CA SER A 790 14.941 9.485 14.141 1.00 23.36 C ATOM 745 C SER A 790 15.379 10.492 15.202 1.00 22.87 C ATOM 746 O SER A 790 15.866 11.578 14.828 1.00 24.01 O ATOM 747 CB SER A 790 13.491 9.765 13.752 1.00 26.58 C ATOM 748 OG SER A 790 12.729 9.486 14.894 1.00 33.57 O ATOM 0 H SER A 790 14.404 7.614 14.657 1.00 22.86 H new ATOM 0 HA SER A 790 15.508 9.593 13.362 1.00 23.36 H new ATOM 0 HB2 SER A 790 13.377 10.687 13.474 1.00 26.58 H new ATOM 0 HB3 SER A 790 13.217 9.208 13.006 1.00 26.58 H new ATOM 0 HG SER A 790 12.414 8.709 14.838 1.00 33.57 H new ATOM 749 N LYS A 791 15.402 10.096 16.480 1.00 19.52 N ATOM 750 CA LYS A 791 15.817 10.982 17.539 1.00 19.91 C ATOM 751 C LYS A 791 17.318 11.254 17.556 1.00 21.76 C ATOM 752 O LYS A 791 17.796 12.163 18.243 1.00 18.88 O ATOM 753 CB LYS A 791 15.333 10.544 18.896 1.00 23.49 C ATOM 754 CG LYS A 791 13.850 10.590 19.107 1.00 27.06 C ATOM 755 CD LYS A 791 13.475 9.592 20.215 1.00 32.90 C ATOM 756 CE LYS A 791 11.973 9.491 20.479 1.00 35.04 C ATOM 757 NZ LYS A 791 11.417 10.650 21.231 1.00 34.35 N ATOM 0 H LYS A 791 15.177 9.309 16.743 1.00 19.52 H new ATOM 0 HA LYS A 791 15.383 11.825 17.333 1.00 19.91 H new ATOM 0 HB2 LYS A 791 15.636 9.636 19.051 1.00 23.49 H new ATOM 0 HB3 LYS A 791 15.755 11.103 19.567 1.00 23.49 H new ATOM 0 HG2 LYS A 791 13.574 11.486 19.355 1.00 27.06 H new ATOM 0 HG3 LYS A 791 13.387 10.368 18.284 1.00 27.06 H new ATOM 0 HD2 LYS A 791 13.811 8.715 19.974 1.00 32.90 H new ATOM 0 HD3 LYS A 791 13.922 9.852 21.036 1.00 32.90 H new ATOM 0 HE2 LYS A 791 11.508 9.413 19.631 1.00 35.04 H new ATOM 0 HE3 LYS A 791 11.794 8.678 20.976 1.00 35.04 H new ATOM 0 HZ1 LYS A 791 10.587 10.464 21.492 1.00 34.35 H new ATOM 0 HZ2 LYS A 791 11.923 10.811 21.945 1.00 34.35 H new ATOM 0 HZ3 LYS A 791 11.409 11.369 20.706 1.00 34.35 H new ATOM 758 N SER A 792 18.091 10.479 16.792 1.00 18.82 N ATOM 759 CA SER A 792 19.481 10.775 16.583 1.00 19.67 C ATOM 760 C SER A 792 19.812 12.126 15.974 1.00 19.93 C ATOM 761 O SER A 792 20.900 12.647 16.208 1.00 19.17 O ATOM 762 CB SER A 792 20.139 9.645 15.745 1.00 20.77 C ATOM 763 OG SER A 792 19.698 9.726 14.399 1.00 21.80 O ATOM 0 H SER A 792 17.813 9.773 16.388 1.00 18.82 H new ATOM 0 HA SER A 792 19.848 10.824 17.479 1.00 19.67 H new ATOM 0 HB2 SER A 792 21.105 9.723 15.783 1.00 20.77 H new ATOM 0 HB3 SER A 792 19.910 8.779 16.118 1.00 20.77 H new ATOM 0 HG SER A 792 18.948 9.355 14.327 1.00 21.80 H new ATOM 764 N CYS A 793 18.849 12.755 15.286 1.00 22.00 N ATOM 765 CA CYS A 793 19.039 14.084 14.777 1.00 22.58 C ATOM 766 C CYS A 793 19.478 15.090 15.816 1.00 20.70 C ATOM 767 O CYS A 793 20.321 15.966 15.539 1.00 21.64 O ATOM 768 CB CYS A 793 17.720 14.551 14.057 1.00 27.74 C ATOM 769 SG CYS A 793 16.379 14.941 15.220 1.00 31.25 S ATOM 0 H CYS A 793 18.080 12.413 15.111 1.00 22.00 H new ATOM 0 HA CYS A 793 19.774 14.044 14.145 1.00 22.58 H new ATOM 0 HB2 CYS A 793 17.912 15.334 13.517 1.00 27.74 H new ATOM 0 HB3 CYS A 793 17.424 13.854 13.451 1.00 27.74 H new ATOM 0 HG CYS A 793 15.479 15.473 14.630 1.00 31.25 H new ATOM 770 N PHE A 794 18.969 14.964 17.056 1.00 20.77 N ATOM 771 CA PHE A 794 19.423 15.850 18.143 1.00 19.99 C ATOM 772 C PHE A 794 20.902 15.805 18.545 1.00 23.57 C ATOM 773 O PHE A 794 21.436 16.760 19.102 1.00 22.50 O ATOM 774 CB PHE A 794 18.572 15.704 19.400 1.00 21.32 C ATOM 775 CG PHE A 794 17.135 16.027 19.180 1.00 18.99 C ATOM 776 CD1 PHE A 794 16.711 17.364 19.057 1.00 21.55 C ATOM 777 CD2 PHE A 794 16.188 15.032 19.201 1.00 21.96 C ATOM 778 CE1 PHE A 794 15.347 17.656 18.899 1.00 21.76 C ATOM 779 CE2 PHE A 794 14.805 15.320 19.036 1.00 24.26 C ATOM 780 CZ PHE A 794 14.398 16.649 18.878 1.00 22.06 C ATOM 0 H PHE A 794 18.374 14.386 17.283 1.00 20.77 H new ATOM 0 HA PHE A 794 19.305 16.718 17.726 1.00 19.99 H new ATOM 0 HB2 PHE A 794 18.646 14.794 19.729 1.00 21.32 H new ATOM 0 HB3 PHE A 794 18.925 16.285 20.091 1.00 21.32 H new ATOM 0 HD1 PHE A 794 17.335 18.054 19.080 1.00 21.55 H new ATOM 0 HD2 PHE A 794 16.457 14.151 19.326 1.00 21.96 H new ATOM 0 HE1 PHE A 794 15.077 18.541 18.807 1.00 21.76 H new ATOM 0 HE2 PHE A 794 14.178 14.633 19.033 1.00 24.26 H new ATOM 0 HZ PHE A 794 13.499 16.854 18.760 1.00 22.06 H new ATOM 781 N PHE A 795 21.533 14.667 18.271 1.00 18.69 N ATOM 782 CA PHE A 795 22.888 14.383 18.664 1.00 18.06 C ATOM 783 C PHE A 795 23.855 14.265 17.476 1.00 19.19 C ATOM 784 O PHE A 795 24.996 13.971 17.705 1.00 19.12 O ATOM 785 CB PHE A 795 22.858 13.035 19.443 1.00 17.81 C ATOM 786 CG PHE A 795 21.949 13.096 20.636 1.00 18.58 C ATOM 787 CD1 PHE A 795 22.299 13.836 21.728 1.00 19.80 C ATOM 788 CD2 PHE A 795 20.697 12.467 20.612 1.00 19.92 C ATOM 789 CE1 PHE A 795 21.470 13.927 22.823 1.00 20.57 C ATOM 790 CE2 PHE A 795 19.828 12.593 21.696 1.00 21.66 C ATOM 791 CZ PHE A 795 20.232 13.318 22.813 1.00 18.60 C ATOM 0 H PHE A 795 21.163 14.024 17.836 1.00 18.69 H new ATOM 0 HA PHE A 795 23.216 15.119 19.204 1.00 18.06 H new ATOM 0 HB2 PHE A 795 22.565 12.326 18.850 1.00 17.81 H new ATOM 0 HB3 PHE A 795 23.756 12.809 19.733 1.00 17.81 H new ATOM 0 HD1 PHE A 795 23.112 14.287 21.732 1.00 19.80 H new ATOM 0 HD2 PHE A 795 20.445 11.964 19.871 1.00 19.92 H new ATOM 0 HE1 PHE A 795 21.746 14.402 23.574 1.00 20.57 H new ATOM 0 HE2 PHE A 795 18.987 12.196 21.672 1.00 21.66 H new ATOM 0 HZ PHE A 795 19.670 13.392 23.550 1.00 18.60 H new ATOM 792 N ALA A 796 23.415 14.484 16.239 1.00 18.84 N ATOM 793 CA ALA A 796 24.279 14.307 15.078 1.00 19.82 C ATOM 794 C ALA A 796 25.312 15.358 14.870 1.00 19.01 C ATOM 795 O ALA A 796 26.503 15.041 14.592 1.00 18.57 O ATOM 796 CB ALA A 796 23.466 14.147 13.803 1.00 21.62 C ATOM 0 H ALA A 796 22.615 14.737 16.051 1.00 18.84 H new ATOM 0 HA ALA A 796 24.767 13.494 15.283 1.00 19.82 H new ATOM 0 HB1 ALA A 796 24.065 14.031 13.049 1.00 21.62 H new ATOM 0 HB2 ALA A 796 22.891 13.369 13.881 1.00 21.62 H new ATOM 0 HB3 ALA A 796 22.922 14.938 13.664 1.00 21.62 H new ATOM 797 N SER A 797 24.940 16.632 15.011 1.00 19.49 N ATOM 798 CA SER A 797 25.851 17.692 14.653 1.00 21.79 C ATOM 799 C SER A 797 26.333 18.414 15.868 1.00 21.39 C ATOM 800 O SER A 797 25.923 18.139 16.968 1.00 22.71 O ATOM 801 CB SER A 797 25.174 18.623 13.572 1.00 27.31 C ATOM 802 OG SER A 797 24.253 19.413 14.255 1.00 29.70 O ATOM 0 H SER A 797 24.175 16.890 15.308 1.00 19.49 H new ATOM 0 HA SER A 797 26.650 17.325 14.244 1.00 21.79 H new ATOM 0 HB2 SER A 797 25.837 19.173 13.125 1.00 27.31 H new ATOM 0 HB3 SER A 797 24.735 18.095 12.887 1.00 27.31 H new ATOM 0 HG SER A 797 24.585 20.171 14.397 1.00 29.70 H new ATOM 803 N GLU A 798 27.294 19.298 15.685 1.00 20.79 N ATOM 804 CA GLU A 798 28.005 19.925 16.821 1.00 21.55 C ATOM 805 C GLU A 798 27.065 20.813 17.603 1.00 23.53 C ATOM 806 O GLU A 798 26.438 21.688 17.025 1.00 26.23 O ATOM 807 CB GLU A 798 29.189 20.748 16.366 1.00 22.23 C ATOM 808 CG GLU A 798 30.040 21.340 17.461 1.00 26.34 C ATOM 809 CD GLU A 798 31.352 21.990 16.954 1.00 30.72 C ATOM 810 OE1 GLU A 798 31.663 22.051 15.706 1.00 34.59 O ATOM 811 OE2 GLU A 798 32.104 22.394 17.868 1.00 34.22 O ATOM 0 H GLU A 798 27.562 19.560 14.911 1.00 20.79 H new ATOM 0 HA GLU A 798 28.330 19.204 17.382 1.00 21.55 H new ATOM 0 HB2 GLU A 798 29.753 20.190 15.808 1.00 22.23 H new ATOM 0 HB3 GLU A 798 28.863 21.471 15.807 1.00 22.23 H new ATOM 0 HG2 GLU A 798 29.521 22.008 17.936 1.00 26.34 H new ATOM 0 HG3 GLU A 798 30.260 20.644 18.100 1.00 26.34 H new ATOM 812 N PRO A 799 26.929 20.576 18.885 1.00 22.67 N ATOM 813 CA PRO A 799 26.000 21.282 19.737 1.00 24.95 C ATOM 814 C PRO A 799 26.622 22.611 20.217 1.00 26.86 C ATOM 815 O PRO A 799 27.852 22.827 20.088 1.00 25.37 O ATOM 816 CB PRO A 799 25.829 20.314 20.899 1.00 24.64 C ATOM 817 CG PRO A 799 27.202 19.760 21.044 1.00 26.78 C ATOM 818 CD PRO A 799 27.709 19.583 19.667 1.00 24.66 C ATOM 0 HA PRO A 799 25.165 21.518 19.303 1.00 24.95 H new ATOM 0 HB2 PRO A 799 25.532 20.764 21.705 1.00 24.64 H new ATOM 0 HB3 PRO A 799 25.177 19.623 20.703 1.00 24.64 H new ATOM 0 HG2 PRO A 799 27.769 20.363 21.549 1.00 26.78 H new ATOM 0 HG3 PRO A 799 27.189 18.916 21.522 1.00 26.78 H new ATOM 0 HD2 PRO A 799 28.662 19.753 19.612 1.00 24.66 H new ATOM 0 HD3 PRO A 799 27.563 18.680 19.345 1.00 24.66 H new ATOM 819 N TYR A 800 25.770 23.524 20.700 1.00 26.38 N ATOM 820 CA TYR A 800 26.229 24.682 21.444 1.00 27.97 C ATOM 821 C TYR A 800 25.347 24.917 22.695 1.00 26.01 C ATOM 822 O TYR A 800 24.251 24.449 22.804 1.00 24.06 O ATOM 823 CB TYR A 800 26.275 25.903 20.544 1.00 31.49 C ATOM 824 CG TYR A 800 24.937 26.330 20.025 1.00 38.54 C ATOM 825 CD1 TYR A 800 24.492 25.922 18.768 1.00 43.40 C ATOM 826 CD2 TYR A 800 24.135 27.216 20.772 1.00 48.59 C ATOM 827 CE1 TYR A 800 23.266 26.384 18.253 1.00 54.41 C ATOM 828 CE2 TYR A 800 22.912 27.676 20.278 1.00 58.42 C ATOM 829 CZ TYR A 800 22.480 27.265 19.020 1.00 57.58 C ATOM 830 OH TYR A 800 21.271 27.740 18.561 1.00 67.37 O ATOM 0 H TYR A 800 24.917 23.482 20.602 1.00 26.38 H new ATOM 0 HA TYR A 800 27.131 24.515 21.758 1.00 27.97 H new ATOM 0 HB2 TYR A 800 26.671 26.640 21.035 1.00 31.49 H new ATOM 0 HB3 TYR A 800 26.859 25.717 19.792 1.00 31.49 H new ATOM 0 HD1 TYR A 800 25.011 25.338 18.264 1.00 43.40 H new ATOM 0 HD2 TYR A 800 24.425 27.500 21.609 1.00 48.59 H new ATOM 0 HE1 TYR A 800 22.977 26.109 17.413 1.00 54.41 H new ATOM 0 HE2 TYR A 800 22.389 28.253 20.786 1.00 58.42 H new ATOM 0 HH TYR A 800 20.933 28.250 19.137 1.00 67.37 H new ATOM 831 N TYR A 801 25.898 25.623 23.658 1.00 22.89 N ATOM 832 CA TYR A 801 25.408 25.598 24.994 1.00 22.78 C ATOM 833 C TYR A 801 25.296 27.032 25.563 1.00 24.46 C ATOM 834 O TYR A 801 26.291 27.608 26.034 1.00 20.05 O ATOM 835 CB TYR A 801 26.397 24.801 25.846 1.00 23.72 C ATOM 836 CG TYR A 801 26.467 23.324 25.398 1.00 23.11 C ATOM 837 CD1 TYR A 801 25.481 22.413 25.809 1.00 23.67 C ATOM 838 CD2 TYR A 801 27.512 22.859 24.601 1.00 23.69 C ATOM 839 CE1 TYR A 801 25.560 21.047 25.431 1.00 25.03 C ATOM 840 CE2 TYR A 801 27.585 21.525 24.215 1.00 24.07 C ATOM 841 CZ TYR A 801 26.603 20.621 24.635 1.00 24.15 C ATOM 842 OH TYR A 801 26.619 19.292 24.283 1.00 23.91 O ATOM 0 H TYR A 801 26.578 26.136 23.543 1.00 22.89 H new ATOM 0 HA TYR A 801 24.527 25.192 25.007 1.00 22.78 H new ATOM 0 HB2 TYR A 801 27.278 25.202 25.782 1.00 23.72 H new ATOM 0 HB3 TYR A 801 26.132 24.846 26.778 1.00 23.72 H new ATOM 0 HD1 TYR A 801 24.771 22.707 26.333 1.00 23.67 H new ATOM 0 HD2 TYR A 801 28.172 23.452 24.322 1.00 23.69 H new ATOM 0 HE1 TYR A 801 24.913 20.444 25.718 1.00 25.03 H new ATOM 0 HE2 TYR A 801 28.286 21.234 23.678 1.00 24.07 H new ATOM 0 HH TYR A 801 25.852 18.966 24.385 1.00 23.91 H new ATOM 843 N ASN A 802 24.067 27.530 25.608 1.00 24.91 N ATOM 844 CA ASN A 802 23.820 28.819 26.207 1.00 24.90 C ATOM 845 C ASN A 802 22.408 28.802 26.792 1.00 22.29 C ATOM 846 O ASN A 802 21.483 29.130 26.115 1.00 27.14 O ATOM 847 CB ASN A 802 23.955 29.956 25.193 1.00 22.42 C ATOM 848 CG ASN A 802 24.022 31.317 25.873 1.00 27.38 C ATOM 849 OD1 ASN A 802 23.909 31.399 27.109 1.00 24.56 O ATOM 850 ND2 ASN A 802 24.257 32.370 25.092 1.00 27.64 N ATOM 0 H ASN A 802 23.369 27.135 25.297 1.00 24.91 H new ATOM 0 HA ASN A 802 24.481 28.979 26.899 1.00 24.90 H new ATOM 0 HB2 ASN A 802 24.754 29.821 24.661 1.00 22.42 H new ATOM 0 HB3 ASN A 802 23.201 29.936 24.583 1.00 22.42 H new ATOM 0 HD21 ASN A 802 24.338 33.153 25.439 1.00 27.64 H new ATOM 0 HD22 ASN A 802 24.328 32.267 24.241 1.00 27.64 H new ATOM 851 N ARG A 803 22.324 28.426 28.049 1.00 24.55 N ATOM 852 CA AARG A 803 21.061 28.224 28.750 0.43 27.46 C ATOM 853 CA BARG A 803 21.069 28.205 28.751 0.57 26.98 C ATOM 854 C ARG A 803 21.230 28.785 30.135 1.00 25.92 C ATOM 855 O ARG A 803 22.240 28.536 30.804 1.00 27.07 O ATOM 856 CB AARG A 803 20.712 26.735 28.833 0.43 29.77 C ATOM 857 CB BARG A 803 20.791 26.701 28.850 0.57 28.43 C ATOM 858 CG AARG A 803 19.759 26.342 29.952 0.43 32.06 C ATOM 859 CG BARG A 803 19.504 26.320 29.558 0.57 29.76 C ATOM 860 CD AARG A 803 19.392 24.867 29.865 0.43 35.83 C ATOM 861 CD BARG A 803 19.396 24.810 29.797 0.57 33.58 C ATOM 862 NE AARG A 803 18.157 24.703 29.133 0.43 38.34 N ATOM 863 NE BARG A 803 18.052 24.543 30.280 0.57 34.44 N ATOM 864 CZ AARG A 803 16.977 24.502 29.703 0.43 38.63 C ATOM 865 CZ BARG A 803 17.674 24.072 31.462 0.57 42.13 C ATOM 866 NH1AARG A 803 16.863 24.434 31.018 0.43 40.69 N ATOM 867 NH1BARG A 803 18.534 23.668 32.401 0.57 45.92 N ATOM 868 NH2AARG A 803 15.919 24.382 28.944 0.43 35.13 N ATOM 869 NH2BARG A 803 16.366 23.946 31.678 0.57 47.20 N ATOM 0 H AARG A 803 23.015 28.275 28.538 0.43 24.55 H new ATOM 0 H BARG A 803 23.017 28.286 28.539 0.57 24.55 H new ATOM 0 HA AARG A 803 20.340 28.666 28.275 0.43 26.98 H new ATOM 0 HA BARG A 803 20.329 28.623 28.283 0.57 26.98 H new ATOM 0 HB2AARG A 803 20.321 26.464 27.988 0.43 28.43 H new ATOM 0 HB2BARG A 803 20.770 26.332 27.953 0.57 28.43 H new ATOM 0 HB3AARG A 803 21.535 26.232 28.940 0.43 28.43 H new ATOM 0 HB3BARG A 803 21.533 26.281 29.312 0.57 28.43 H new ATOM 0 HG2AARG A 803 20.170 26.526 30.811 0.43 29.76 H new ATOM 0 HG2BARG A 803 19.456 26.784 30.408 0.57 29.76 H new ATOM 0 HG3AARG A 803 18.955 26.882 29.901 0.43 29.76 H new ATOM 0 HG3BARG A 803 18.747 26.617 29.029 0.57 29.76 H new ATOM 0 HD2AARG A 803 20.104 24.375 29.426 0.43 33.58 H new ATOM 0 HD2BARG A 803 19.568 24.321 28.977 0.57 33.58 H new ATOM 0 HD3AARG A 803 19.299 24.497 30.757 0.43 33.58 H new ATOM 0 HD3BARG A 803 20.056 24.518 30.445 0.57 33.58 H new ATOM 0 HE AARG A 803 18.189 24.738 28.274 0.43 34.44 H new ATOM 0 HE BARG A 803 17.416 24.713 29.726 0.57 34.44 H new ATOM 0 HH11AARG A 803 17.559 24.521 31.515 0.43 45.92 H new ATOM 0 HH11BARG A 803 19.380 23.706 32.254 0.57 45.92 H new ATOM 0 HH12AARG A 803 16.092 24.303 31.377 0.43 45.92 H new ATOM 0 HH12BARG A 803 18.241 23.370 33.153 0.57 45.92 H new ATOM 0 HH21AARG A 803 15.995 24.434 28.089 0.43 47.20 H new ATOM 0 HH21BARG A 803 15.806 24.166 31.064 0.57 47.20 H new ATOM 0 HH22AARG A 803 15.147 24.251 29.300 0.43 47.20 H new ATOM 0 HH22BARG A 803 16.082 23.644 32.432 0.57 47.20 H new ATOM 870 N GLU A 804 20.249 29.559 30.567 1.00 30.05 N ATOM 871 CA GLU A 804 20.321 30.166 31.900 1.00 36.17 C ATOM 872 C GLU A 804 20.386 29.049 32.939 1.00 33.20 C ATOM 873 O GLU A 804 19.661 28.072 32.858 1.00 33.74 O ATOM 874 CB GLU A 804 19.088 31.066 32.118 1.00 41.44 C ATOM 875 CG GLU A 804 19.045 31.744 33.489 1.00 57.94 C ATOM 876 CD GLU A 804 17.779 32.595 33.687 1.00 69.54 C ATOM 877 OE1 GLU A 804 17.198 33.104 32.686 1.00 73.07 O ATOM 878 OE2 GLU A 804 17.357 32.752 34.856 1.00 81.36 O ATOM 0 H GLU A 804 19.540 29.748 30.118 1.00 30.05 H new ATOM 0 HA GLU A 804 21.114 30.718 31.986 1.00 36.17 H new ATOM 0 HB2 GLU A 804 19.072 31.749 31.429 1.00 41.44 H new ATOM 0 HB3 GLU A 804 18.286 30.532 32.006 1.00 41.44 H new ATOM 0 HG2 GLU A 804 19.088 31.067 34.183 1.00 57.94 H new ATOM 0 HG3 GLU A 804 19.828 32.306 33.593 1.00 57.94 H new ATOM 879 N GLY A 805 21.319 29.157 33.859 1.00 33.46 N ATOM 880 CA GLY A 805 21.474 28.187 34.923 1.00 35.86 C ATOM 881 C GLY A 805 22.299 26.948 34.596 1.00 39.01 C ATOM 882 O GLY A 805 22.427 26.085 35.458 1.00 39.05 O ATOM 0 H GLY A 805 21.888 29.801 33.886 1.00 33.46 H new ATOM 0 HA2 GLY A 805 21.881 28.632 35.683 1.00 35.86 H new ATOM 0 HA3 GLY A 805 20.591 27.899 35.203 1.00 35.86 H new ATOM 883 N SER A 806 22.860 26.843 33.377 1.00 34.37 N ATOM 884 CA SER A 806 23.684 25.697 33.014 1.00 32.44 C ATOM 885 C SER A 806 24.972 26.147 32.402 1.00 33.36 C ATOM 886 O SER A 806 25.062 27.225 31.811 1.00 31.15 O ATOM 887 CB SER A 806 22.957 24.761 31.987 1.00 38.21 C ATOM 888 OG SER A 806 21.923 24.023 32.564 1.00 39.18 O ATOM 0 H SER A 806 22.770 27.429 32.754 1.00 34.37 H new ATOM 0 HA SER A 806 23.852 25.205 33.833 1.00 32.44 H new ATOM 0 HB2 SER A 806 22.600 25.298 31.263 1.00 38.21 H new ATOM 0 HB3 SER A 806 23.604 24.153 31.596 1.00 38.21 H new ATOM 0 HG SER A 806 21.803 23.317 32.125 1.00 39.18 H new ATOM 889 N GLN A 807 25.957 25.275 32.503 1.00 30.08 N ATOM 890 CA GLN A 807 27.228 25.468 31.875 1.00 37.84 C ATOM 891 C GLN A 807 27.426 24.313 30.882 1.00 30.99 C ATOM 892 O GLN A 807 27.074 23.176 31.196 1.00 28.99 O ATOM 893 CB GLN A 807 28.329 25.447 32.940 1.00 48.26 C ATOM 894 CG GLN A 807 28.646 26.810 33.538 1.00 61.74 C ATOM 895 CD GLN A 807 29.199 27.776 32.496 1.00 75.50 C ATOM 896 OE1 GLN A 807 29.915 27.358 31.575 1.00 76.15 O ATOM 897 NE2 GLN A 807 28.832 29.070 32.607 1.00 88.16 N ATOM 0 H GLN A 807 25.897 24.542 32.949 1.00 30.08 H new ATOM 0 HA GLN A 807 27.267 26.320 31.413 1.00 37.84 H new ATOM 0 HB2 GLN A 807 28.063 24.846 33.654 1.00 48.26 H new ATOM 0 HB3 GLN A 807 29.137 25.081 32.548 1.00 48.26 H new ATOM 0 HG2 GLN A 807 27.842 27.185 33.931 1.00 61.74 H new ATOM 0 HG3 GLN A 807 29.290 26.706 34.255 1.00 61.74 H new ATOM 0 HE21 GLN A 807 28.334 29.321 33.261 1.00 88.16 H new ATOM 0 HE22 GLN A 807 29.096 29.644 32.023 1.00 88.16 H new ATOM 898 N GLY A 808 28.011 24.612 29.723 1.00 28.49 N ATOM 899 CA GLY A 808 28.283 23.581 28.715 1.00 31.63 C ATOM 900 C GLY A 808 29.327 22.552 29.208 1.00 29.81 C ATOM 901 O GLY A 808 30.096 22.837 30.105 1.00 28.39 O ATOM 0 H GLY A 808 28.259 25.404 29.499 1.00 28.49 H new ATOM 0 HA2 GLY A 808 27.458 23.122 28.492 1.00 31.63 H new ATOM 0 HA3 GLY A 808 28.603 24.001 27.901 1.00 31.63 H new ATOM 902 N PRO A 809 29.360 21.357 28.595 1.00 27.27 N ATOM 903 CA PRO A 809 30.299 20.329 29.000 1.00 27.47 C ATOM 904 C PRO A 809 31.721 20.691 28.656 1.00 26.76 C ATOM 905 O PRO A 809 31.992 21.355 27.629 1.00 27.35 O ATOM 906 CB PRO A 809 29.835 19.090 28.201 1.00 26.25 C ATOM 907 CG PRO A 809 29.198 19.649 26.994 1.00 29.95 C ATOM 908 CD PRO A 809 28.465 20.882 27.547 1.00 27.53 C ATOM 0 HA PRO A 809 30.303 20.191 29.960 1.00 27.47 H new ATOM 0 HB2 PRO A 809 30.583 18.516 27.973 1.00 26.25 H new ATOM 0 HB3 PRO A 809 29.211 18.552 28.713 1.00 26.25 H new ATOM 0 HG2 PRO A 809 29.852 19.890 26.319 1.00 29.95 H new ATOM 0 HG3 PRO A 809 28.586 19.018 26.584 1.00 29.95 H new ATOM 0 HD2 PRO A 809 28.327 21.554 26.862 1.00 27.53 H new ATOM 0 HD3 PRO A 809 27.591 20.652 27.899 1.00 27.53 H new ATOM 909 N GLN A 810 32.634 20.133 29.449 1.00 31.52 N ATOM 910 CA GLN A 810 34.057 20.278 29.210 1.00 32.89 C ATOM 911 C GLN A 810 34.488 19.659 27.901 1.00 32.07 C ATOM 912 O GLN A 810 35.396 20.195 27.241 1.00 33.03 O ATOM 913 CB GLN A 810 34.867 19.622 30.341 1.00 39.40 C ATOM 914 CG GLN A 810 34.564 20.160 31.725 1.00 50.36 C ATOM 915 CD GLN A 810 34.820 21.642 31.856 1.00 57.99 C ATOM 916 OE1 GLN A 810 35.785 22.193 31.315 1.00 68.99 O ATOM 917 NE2 GLN A 810 33.933 22.308 32.563 1.00 74.86 N ATOM 0 H GLN A 810 32.440 19.660 30.140 1.00 31.52 H new ATOM 0 HA GLN A 810 34.230 21.232 29.176 1.00 32.89 H new ATOM 0 HB2 GLN A 810 34.697 18.667 30.333 1.00 39.40 H new ATOM 0 HB3 GLN A 810 35.812 19.743 30.159 1.00 39.40 H new ATOM 0 HG2 GLN A 810 33.636 19.978 31.940 1.00 50.36 H new ATOM 0 HG3 GLN A 810 35.105 19.686 32.376 1.00 50.36 H new ATOM 0 HE21 GLN A 810 33.273 21.893 32.926 1.00 74.86 H new ATOM 0 HE22 GLN A 810 34.013 23.159 32.662 1.00 74.86 H new ATOM 918 N LYS A 811 33.838 18.546 27.501 1.00 27.16 N ATOM 919 CA LYS A 811 34.242 17.842 26.309 1.00 25.49 C ATOM 920 C LYS A 811 33.051 17.509 25.469 1.00 22.48 C ATOM 921 O LYS A 811 32.435 16.408 25.622 1.00 22.72 O ATOM 922 CB LYS A 811 35.031 16.616 26.683 1.00 28.34 C ATOM 923 CG LYS A 811 35.624 15.957 25.433 1.00 35.11 C ATOM 924 CD LYS A 811 36.362 14.666 25.799 1.00 40.48 C ATOM 925 CE LYS A 811 36.737 13.841 24.575 1.00 44.00 C ATOM 926 NZ LYS A 811 37.326 12.587 25.118 1.00 45.95 N ATOM 0 H LYS A 811 33.168 18.200 27.915 1.00 27.16 H new ATOM 0 HA LYS A 811 34.817 18.413 25.775 1.00 25.49 H new ATOM 0 HB2 LYS A 811 35.743 16.857 27.296 1.00 28.34 H new ATOM 0 HB3 LYS A 811 34.458 15.985 27.147 1.00 28.34 H new ATOM 0 HG2 LYS A 811 34.917 15.762 24.798 1.00 35.11 H new ATOM 0 HG3 LYS A 811 36.235 16.571 24.997 1.00 35.11 H new ATOM 0 HD2 LYS A 811 37.166 14.886 26.295 1.00 40.48 H new ATOM 0 HD3 LYS A 811 35.803 14.133 26.386 1.00 40.48 H new ATOM 0 HE2 LYS A 811 35.959 13.654 24.026 1.00 44.00 H new ATOM 0 HE3 LYS A 811 37.373 14.313 24.015 1.00 44.00 H new ATOM 0 HZ1 LYS A 811 37.952 12.287 24.561 1.00 45.95 H new ATOM 0 HZ2 LYS A 811 37.691 12.750 25.913 1.00 45.95 H new ATOM 0 HZ3 LYS A 811 36.688 11.973 25.205 1.00 45.95 H new ATOM 927 N PRO A 812 32.658 18.443 24.606 1.00 23.32 N ATOM 928 CA PRO A 812 31.515 18.179 23.777 1.00 23.92 C ATOM 929 C PRO A 812 31.743 17.000 22.835 1.00 22.67 C ATOM 930 O PRO A 812 32.870 16.738 22.424 1.00 23.56 O ATOM 931 CB PRO A 812 31.392 19.486 22.932 1.00 25.41 C ATOM 932 CG PRO A 812 32.076 20.555 23.808 1.00 25.08 C ATOM 933 CD PRO A 812 33.227 19.797 24.338 1.00 24.26 C ATOM 0 HA PRO A 812 30.731 17.954 24.303 1.00 23.92 H new ATOM 0 HB2 PRO A 812 31.831 19.396 22.072 1.00 25.41 H new ATOM 0 HB3 PRO A 812 30.465 19.710 22.756 1.00 25.41 H new ATOM 0 HG2 PRO A 812 32.353 21.329 23.293 1.00 25.08 H new ATOM 0 HG3 PRO A 812 31.494 20.878 24.513 1.00 25.08 H new ATOM 0 HD2 PRO A 812 33.955 19.758 23.698 1.00 24.26 H new ATOM 0 HD3 PRO A 812 33.581 20.202 25.145 1.00 24.26 H new ATOM 934 N MET A 813 30.670 16.338 22.439 1.00 18.60 N ATOM 935 CA MET A 813 30.754 15.180 21.596 1.00 18.67 C ATOM 936 C MET A 813 29.462 15.062 20.798 1.00 19.31 C ATOM 937 O MET A 813 28.379 15.419 21.295 1.00 18.31 O ATOM 938 CB MET A 813 31.045 13.931 22.492 1.00 20.81 C ATOM 939 CG MET A 813 31.417 12.662 21.680 1.00 21.76 C ATOM 940 SD MET A 813 32.750 12.791 20.469 1.00 24.72 S ATOM 941 CE MET A 813 34.010 13.275 21.593 1.00 29.45 C ATOM 0 H MET A 813 29.867 16.556 22.658 1.00 18.60 H new ATOM 0 HA MET A 813 31.479 15.249 20.956 1.00 18.67 H new ATOM 0 HB2 MET A 813 31.770 14.141 23.102 1.00 20.81 H new ATOM 0 HB3 MET A 813 30.264 13.742 23.035 1.00 20.81 H new ATOM 0 HG2 MET A 813 31.655 11.965 22.311 1.00 21.76 H new ATOM 0 HG3 MET A 813 30.620 12.363 21.214 1.00 21.76 H new ATOM 0 HE1 MET A 813 34.876 13.186 21.166 1.00 29.45 H new ATOM 0 HE2 MET A 813 33.873 14.199 21.855 1.00 29.45 H new ATOM 0 HE3 MET A 813 33.978 12.708 22.379 1.00 29.45 H new ATOM 942 N TRP A 814 29.517 14.544 19.588 1.00 16.74 N ATOM 943 CA TRP A 814 28.372 14.363 18.764 1.00 16.92 C ATOM 944 C TRP A 814 28.591 13.256 17.771 1.00 15.96 C ATOM 945 O TRP A 814 29.775 12.824 17.606 1.00 15.79 O ATOM 946 CB TRP A 814 27.995 15.719 18.080 1.00 16.20 C ATOM 947 CG TRP A 814 29.068 16.323 17.214 1.00 17.63 C ATOM 948 CD1 TRP A 814 29.148 16.244 15.896 1.00 18.88 C ATOM 949 CD2 TRP A 814 30.185 17.123 17.639 1.00 16.17 C ATOM 950 NE1 TRP A 814 30.237 16.935 15.432 1.00 18.99 N ATOM 951 CE2 TRP A 814 30.867 17.511 16.496 1.00 18.09 C ATOM 952 CE3 TRP A 814 30.648 17.542 18.882 1.00 18.31 C ATOM 953 CZ2 TRP A 814 32.032 18.269 16.528 1.00 21.43 C ATOM 954 CZ3 TRP A 814 31.793 18.323 18.944 1.00 21.18 C ATOM 955 CH2 TRP A 814 32.507 18.652 17.772 1.00 21.74 C ATOM 0 H TRP A 814 30.250 14.283 19.222 1.00 16.74 H new ATOM 0 HA TRP A 814 27.620 14.090 19.313 1.00 16.92 H new ATOM 0 HB2 TRP A 814 27.202 15.582 17.538 1.00 16.20 H new ATOM 0 HB3 TRP A 814 27.759 16.358 18.771 1.00 16.20 H new ATOM 0 HD1 TRP A 814 28.547 15.782 15.357 1.00 18.88 H new ATOM 0 HE1 TRP A 814 30.482 16.995 14.610 1.00 18.99 H new ATOM 0 HE3 TRP A 814 30.197 17.302 19.659 1.00 18.31 H new ATOM 0 HZ2 TRP A 814 32.475 18.509 15.746 1.00 21.43 H new ATOM 0 HZ3 TRP A 814 32.094 18.633 19.768 1.00 21.18 H new ATOM 0 HH2 TRP A 814 33.303 19.130 17.835 1.00 21.74 H new ATOM 956 N LEU A 815 27.511 12.741 17.174 1.00 14.92 N ATOM 957 CA LEU A 815 27.617 11.492 16.390 1.00 16.96 C ATOM 958 C LEU A 815 28.501 11.661 15.164 1.00 17.46 C ATOM 959 O LEU A 815 29.273 10.750 14.824 1.00 15.53 O ATOM 960 CB LEU A 815 26.301 10.924 15.959 1.00 17.41 C ATOM 961 CG LEU A 815 25.354 10.553 17.117 1.00 17.71 C ATOM 962 CD1 LEU A 815 23.968 10.360 16.573 1.00 19.41 C ATOM 963 CD2 LEU A 815 25.814 9.254 17.793 1.00 18.29 C ATOM 0 H LEU A 815 26.724 13.086 17.206 1.00 14.92 H new ATOM 0 HA LEU A 815 28.021 10.862 17.007 1.00 16.96 H new ATOM 0 HB2 LEU A 815 25.856 11.568 15.386 1.00 17.41 H new ATOM 0 HB3 LEU A 815 26.464 10.132 15.423 1.00 17.41 H new ATOM 0 HG LEU A 815 25.363 11.268 17.773 1.00 17.71 H new ATOM 0 HD11 LEU A 815 23.366 10.126 17.297 1.00 19.41 H new ATOM 0 HD12 LEU A 815 23.667 11.182 16.155 1.00 19.41 H new ATOM 0 HD13 LEU A 815 23.975 9.647 15.915 1.00 19.41 H new ATOM 0 HD21 LEU A 815 25.209 9.035 18.518 1.00 18.29 H new ATOM 0 HD22 LEU A 815 25.814 8.534 17.144 1.00 18.29 H new ATOM 0 HD23 LEU A 815 26.710 9.372 18.145 1.00 18.29 H new ATOM 964 N ASN A 816 28.380 12.789 14.466 1.00 17.32 N ATOM 965 CA ASN A 816 29.254 13.034 13.279 1.00 19.50 C ATOM 966 C ASN A 816 30.719 13.075 13.599 1.00 17.14 C ATOM 967 O ASN A 816 31.503 12.678 12.789 1.00 18.39 O ATOM 968 CB ASN A 816 28.805 14.269 12.441 1.00 21.12 C ATOM 969 CG ASN A 816 27.401 14.127 11.802 1.00 24.63 C ATOM 970 OD1 ASN A 816 26.794 13.047 11.731 1.00 26.59 O ATOM 971 ND2 ASN A 816 26.826 15.303 11.375 1.00 24.64 N ATOM 0 H ASN A 816 27.820 13.417 14.643 1.00 17.32 H new ATOM 0 HA ASN A 816 29.130 12.252 12.719 1.00 19.50 H new ATOM 0 HB2 ASN A 816 28.812 15.054 13.011 1.00 21.12 H new ATOM 0 HB3 ASN A 816 29.455 14.424 11.738 1.00 21.12 H new ATOM 0 HD21 ASN A 816 26.030 15.299 11.051 1.00 24.64 H new ATOM 0 HD22 ASN A 816 27.263 16.041 11.433 1.00 24.64 H new ATOM 972 N LYS A 817 31.109 13.514 14.788 1.00 17.79 N ATOM 973 CA LYS A 817 32.464 13.496 15.214 1.00 20.31 C ATOM 974 C LYS A 817 32.939 12.066 15.460 1.00 19.99 C ATOM 975 O LYS A 817 34.027 11.708 15.051 1.00 17.82 O ATOM 976 CB LYS A 817 32.654 14.329 16.467 1.00 20.90 C ATOM 977 CG LYS A 817 34.071 14.478 16.945 1.00 27.55 C ATOM 978 CD LYS A 817 34.063 15.389 18.146 1.00 33.21 C ATOM 979 CE LYS A 817 35.426 15.527 18.805 1.00 44.48 C ATOM 980 NZ LYS A 817 36.305 16.186 17.816 1.00 56.15 N ATOM 0 H LYS A 817 30.567 13.836 15.373 1.00 17.79 H new ATOM 0 HA LYS A 817 32.999 13.883 14.503 1.00 20.31 H new ATOM 0 HB2 LYS A 817 32.290 15.214 16.305 1.00 20.90 H new ATOM 0 HB3 LYS A 817 32.130 13.933 17.181 1.00 20.90 H new ATOM 0 HG2 LYS A 817 34.443 13.613 17.178 1.00 27.55 H new ATOM 0 HG3 LYS A 817 34.629 14.847 16.243 1.00 27.55 H new ATOM 0 HD2 LYS A 817 33.751 16.267 17.876 1.00 33.21 H new ATOM 0 HD3 LYS A 817 33.429 15.050 18.797 1.00 33.21 H new ATOM 0 HE2 LYS A 817 35.365 16.053 19.618 1.00 44.48 H new ATOM 0 HE3 LYS A 817 35.778 14.658 19.055 1.00 44.48 H new ATOM 0 HZ1 LYS A 817 37.039 16.483 18.222 1.00 56.15 H new ATOM 0 HZ2 LYS A 817 36.531 15.602 17.184 1.00 56.15 H new ATOM 0 HZ3 LYS A 817 35.874 16.871 17.446 1.00 56.15 H new ATOM 981 N VAL A 818 32.094 11.274 16.049 1.00 18.39 N ATOM 982 CA VAL A 818 32.386 9.819 16.224 1.00 19.48 C ATOM 983 C VAL A 818 32.478 9.116 14.892 1.00 20.31 C ATOM 984 O VAL A 818 33.390 8.313 14.695 1.00 17.47 O ATOM 985 CB VAL A 818 31.347 9.115 17.129 1.00 19.11 C ATOM 986 CG1 VAL A 818 31.636 7.630 17.205 1.00 21.24 C ATOM 987 CG2 VAL A 818 31.351 9.726 18.538 1.00 18.89 C ATOM 0 H VAL A 818 31.336 11.527 16.366 1.00 18.39 H new ATOM 0 HA VAL A 818 33.247 9.763 16.667 1.00 19.48 H new ATOM 0 HB VAL A 818 30.468 9.245 16.740 1.00 19.11 H new ATOM 0 HG11 VAL A 818 30.978 7.201 17.775 1.00 21.24 H new ATOM 0 HG12 VAL A 818 31.593 7.246 16.315 1.00 21.24 H new ATOM 0 HG13 VAL A 818 32.522 7.491 17.574 1.00 21.24 H new ATOM 0 HG21 VAL A 818 30.694 9.272 19.089 1.00 18.89 H new ATOM 0 HG22 VAL A 818 32.231 9.623 18.933 1.00 18.89 H new ATOM 0 HG23 VAL A 818 31.130 10.669 18.483 1.00 18.89 H new ATOM 988 N LYS A 819 31.581 9.433 13.943 1.00 17.58 N ATOM 989 CA LYS A 819 31.667 8.906 12.595 1.00 20.21 C ATOM 990 C LYS A 819 33.033 9.217 11.901 1.00 20.29 C ATOM 991 O LYS A 819 33.683 8.335 11.330 1.00 21.85 O ATOM 992 CB LYS A 819 30.504 9.433 11.736 1.00 20.64 C ATOM 993 CG LYS A 819 30.443 8.822 10.404 1.00 24.48 C ATOM 994 CD LYS A 819 29.316 9.276 9.536 1.00 29.68 C ATOM 995 CE LYS A 819 28.021 8.610 9.897 1.00 32.06 C ATOM 996 NZ LYS A 819 27.013 8.714 8.781 1.00 39.41 N ATOM 0 H LYS A 819 30.913 9.958 14.074 1.00 17.58 H new ATOM 0 HA LYS A 819 31.604 7.941 12.672 1.00 20.21 H new ATOM 0 HB2 LYS A 819 29.668 9.268 12.199 1.00 20.64 H new ATOM 0 HB3 LYS A 819 30.591 10.394 11.640 1.00 20.64 H new ATOM 0 HG2 LYS A 819 31.278 9.004 9.944 1.00 24.48 H new ATOM 0 HG3 LYS A 819 30.381 7.860 10.510 1.00 24.48 H new ATOM 0 HD2 LYS A 819 29.216 10.238 9.614 1.00 29.68 H new ATOM 0 HD3 LYS A 819 29.528 9.087 8.608 1.00 29.68 H new ATOM 0 HE2 LYS A 819 28.183 7.676 10.102 1.00 32.06 H new ATOM 0 HE3 LYS A 819 27.659 9.018 10.700 1.00 32.06 H new ATOM 0 HZ1 LYS A 819 26.290 8.238 8.988 1.00 39.41 H new ATOM 0 HZ2 LYS A 819 26.784 9.566 8.666 1.00 39.41 H new ATOM 0 HZ3 LYS A 819 27.369 8.399 8.029 1.00 39.41 H new ATOM 997 N THR A 820 33.480 10.439 12.061 1.00 20.46 N ATOM 998 CA THR A 820 34.783 10.872 11.482 1.00 21.50 C ATOM 999 C THR A 820 35.937 10.130 12.136 1.00 20.48 C ATOM 1000 O THR A 820 36.911 9.682 11.454 1.00 20.35 O ATOM 1001 CB THR A 820 34.838 12.388 11.593 1.00 22.14 C ATOM 1002 OG1 THR A 820 33.886 12.864 10.650 1.00 24.89 O ATOM 1003 CG2 THR A 820 36.214 12.911 11.275 1.00 31.04 C ATOM 0 H THR A 820 33.062 11.051 12.497 1.00 20.46 H new ATOM 0 HA THR A 820 34.866 10.643 10.543 1.00 21.50 H new ATOM 0 HB THR A 820 34.640 12.687 12.494 1.00 22.14 H new ATOM 0 HG1 THR A 820 33.124 12.875 11.002 1.00 24.89 H new ATOM 0 HG21 THR A 820 36.219 13.878 11.354 1.00 31.04 H new ATOM 0 HG22 THR A 820 36.856 12.533 11.897 1.00 31.04 H new ATOM 0 HG23 THR A 820 36.455 12.659 10.370 1.00 31.04 H new ATOM 1004 N SER A 821 35.853 10.017 13.446 1.00 19.79 N ATOM 1005 CA SER A 821 36.873 9.351 14.232 1.00 21.94 C ATOM 1006 C SER A 821 37.024 7.894 13.848 1.00 21.35 C ATOM 1007 O SER A 821 38.181 7.369 13.761 1.00 22.22 O ATOM 1008 CB SER A 821 36.619 9.483 15.741 1.00 23.30 C ATOM 1009 OG SER A 821 36.760 10.862 16.167 1.00 24.20 O ATOM 0 H SER A 821 35.198 10.326 13.910 1.00 19.79 H new ATOM 0 HA SER A 821 37.707 9.803 14.030 1.00 21.94 H new ATOM 0 HB2 SER A 821 35.728 9.164 15.953 1.00 23.30 H new ATOM 0 HB3 SER A 821 37.244 8.924 16.229 1.00 23.30 H new ATOM 0 HG SER A 821 36.076 11.296 15.944 1.00 24.20 H new ATOM 1010 N LEU A 822 35.898 7.217 13.667 1.00 20.51 N ATOM 1011 CA LEU A 822 35.926 5.848 13.142 1.00 23.50 C ATOM 1012 C LEU A 822 36.497 5.731 11.772 1.00 25.57 C ATOM 1013 O LEU A 822 37.300 4.819 11.478 1.00 24.66 O ATOM 1014 CB LEU A 822 34.537 5.250 13.092 1.00 23.67 C ATOM 1015 CG LEU A 822 34.027 4.558 14.275 1.00 25.10 C ATOM 1016 CD1 LEU A 822 32.593 4.130 13.949 1.00 24.52 C ATOM 1017 CD2 LEU A 822 34.863 3.289 14.614 1.00 23.60 C ATOM 0 H LEU A 822 35.113 7.523 13.838 1.00 20.51 H new ATOM 0 HA LEU A 822 36.501 5.370 13.760 1.00 23.50 H new ATOM 0 HB2 LEU A 822 33.917 5.965 12.879 1.00 23.67 H new ATOM 0 HB3 LEU A 822 34.513 4.624 12.352 1.00 23.67 H new ATOM 0 HG LEU A 822 34.075 5.150 15.042 1.00 25.10 H new ATOM 0 HD11 LEU A 822 32.213 3.664 14.710 1.00 24.52 H new ATOM 0 HD12 LEU A 822 32.058 4.915 13.751 1.00 24.52 H new ATOM 0 HD13 LEU A 822 32.598 3.540 13.179 1.00 24.52 H new ATOM 0 HD21 LEU A 822 34.495 2.860 15.402 1.00 23.60 H new ATOM 0 HD22 LEU A 822 34.833 2.672 13.866 1.00 23.60 H new ATOM 0 HD23 LEU A 822 35.783 3.544 14.786 1.00 23.60 H new ATOM 1018 N ASN A 823 36.096 6.634 10.905 1.00 26.21 N ATOM 1019 CA ASN A 823 36.578 6.653 9.514 1.00 28.49 C ATOM 1020 C ASN A 823 38.073 6.862 9.414 1.00 30.54 C ATOM 1021 O ASN A 823 38.706 6.242 8.554 1.00 30.44 O ATOM 1022 CB ASN A 823 35.820 7.710 8.692 1.00 31.73 C ATOM 1023 CG ASN A 823 36.325 7.831 7.248 1.00 36.43 C ATOM 1024 OD1 ASN A 823 36.896 8.845 6.848 1.00 48.38 O ATOM 1025 ND2 ASN A 823 36.103 6.815 6.477 1.00 34.90 N ATOM 0 H ASN A 823 35.537 7.260 11.092 1.00 26.21 H new ATOM 0 HA ASN A 823 36.396 5.776 9.142 1.00 28.49 H new ATOM 0 HB2 ASN A 823 34.876 7.486 8.680 1.00 31.73 H new ATOM 0 HB3 ASN A 823 35.902 8.572 9.130 1.00 31.73 H new ATOM 0 HD21 ASN A 823 36.357 6.835 5.656 1.00 34.90 H new ATOM 0 HD22 ASN A 823 35.701 6.120 6.786 1.00 34.90 H new ATOM 1026 N GLU A 824 38.627 7.703 10.287 1.00 26.33 N ATOM 1027 CA GLU A 824 40.012 8.060 10.302 1.00 30.48 C ATOM 1028 C GLU A 824 40.848 7.088 11.197 1.00 29.16 C ATOM 1029 O GLU A 824 42.021 7.305 11.364 1.00 29.71 O ATOM 1030 CB GLU A 824 40.163 9.523 10.727 1.00 34.28 C ATOM 1031 CG GLU A 824 39.664 10.475 9.631 1.00 42.74 C ATOM 1032 CD GLU A 824 39.660 11.988 9.987 1.00 64.61 C ATOM 1033 OE1 GLU A 824 40.286 12.387 11.005 1.00 75.80 O ATOM 1034 OE2 GLU A 824 39.023 12.813 9.234 1.00 76.07 O ATOM 0 H GLU A 824 38.173 8.089 10.907 1.00 26.33 H new ATOM 0 HA GLU A 824 40.370 7.970 9.405 1.00 30.48 H new ATOM 0 HB2 GLU A 824 39.665 9.678 11.545 1.00 34.28 H new ATOM 0 HB3 GLU A 824 41.094 9.711 10.923 1.00 34.28 H new ATOM 0 HG2 GLU A 824 40.215 10.349 8.843 1.00 42.74 H new ATOM 0 HG3 GLU A 824 38.761 10.216 9.390 1.00 42.74 H new ATOM 1035 N GLN A 825 40.229 6.025 11.686 1.00 25.79 N ATOM 1036 CA GLN A 825 40.846 5.004 12.552 1.00 26.95 C ATOM 1037 C GLN A 825 41.536 5.608 13.744 1.00 28.31 C ATOM 1038 O GLN A 825 42.642 5.216 14.070 1.00 26.82 O ATOM 1039 CB GLN A 825 41.840 4.123 11.735 1.00 29.27 C ATOM 1040 CG GLN A 825 41.190 3.395 10.571 1.00 34.57 C ATOM 1041 CD GLN A 825 42.129 2.971 9.466 1.00 37.04 C ATOM 1042 OE1 GLN A 825 42.932 3.760 8.974 1.00 38.61 O ATOM 1043 NE2 GLN A 825 41.984 1.740 9.026 1.00 34.02 N ATOM 0 H GLN A 825 39.401 5.863 11.521 1.00 25.79 H new ATOM 0 HA GLN A 825 40.129 4.444 12.889 1.00 26.95 H new ATOM 0 HB2 GLN A 825 42.555 4.684 11.397 1.00 29.27 H new ATOM 0 HB3 GLN A 825 42.246 3.472 12.328 1.00 29.27 H new ATOM 0 HG2 GLN A 825 40.740 2.606 10.913 1.00 34.57 H new ATOM 0 HG3 GLN A 825 40.506 3.969 10.191 1.00 34.57 H new ATOM 0 HE21 GLN A 825 41.411 1.216 9.396 1.00 34.02 H new ATOM 0 HE22 GLN A 825 42.462 1.459 8.369 1.00 34.02 H new ATOM 1044 N MET A 826 40.860 6.490 14.467 1.00 23.55 N ATOM 1045 CA AMET A 826 41.407 7.112 15.648 0.53 23.73 C ATOM 1046 CA BMET A 826 41.415 7.131 15.642 0.47 24.13 C ATOM 1047 C MET A 826 41.213 6.289 16.900 1.00 25.77 C ATOM 1048 O MET A 826 41.802 6.560 17.886 1.00 26.28 O ATOM 1049 CB AMET A 826 40.752 8.484 15.872 0.53 28.34 C ATOM 1050 CB BMET A 826 40.799 8.540 15.875 0.47 29.01 C ATOM 1051 CG AMET A 826 40.982 9.430 14.700 0.53 31.94 C ATOM 1052 CG BMET A 826 41.054 9.565 14.754 0.47 33.29 C ATOM 1053 SD AMET A 826 42.713 9.855 14.550 0.53 39.07 S ATOM 1054 SD BMET A 826 40.557 11.259 15.225 0.47 41.79 S ATOM 1055 CE AMET A 826 43.031 10.709 16.098 0.53 38.66 C ATOM 1056 CE BMET A 826 39.891 11.899 13.702 0.47 40.68 C ATOM 0 H AMET A 826 40.060 6.744 14.278 0.53 23.55 H new ATOM 0 H BMET A 826 40.056 6.734 14.284 0.47 23.55 H new ATOM 0 HA AMET A 826 42.360 7.197 15.489 0.53 24.13 H new ATOM 0 HA BMET A 826 42.366 7.223 15.472 0.47 24.13 H new ATOM 0 HB2AMET A 826 39.799 8.367 16.009 0.53 29.01 H new ATOM 0 HB2BMET A 826 39.841 8.442 15.992 0.47 29.01 H new ATOM 0 HB3AMET A 826 41.108 8.882 16.682 0.53 29.01 H new ATOM 0 HB3BMET A 826 41.151 8.897 16.705 0.47 29.01 H new ATOM 0 HG2AMET A 826 40.675 9.014 13.879 0.53 33.29 H new ATOM 0 HG2BMET A 826 41.996 9.560 14.524 0.47 33.29 H new ATOM 0 HG3AMET A 826 40.457 10.236 14.823 0.53 33.29 H new ATOM 0 HG3BMET A 826 40.567 9.298 13.959 0.47 33.29 H new ATOM 0 HE1AMET A 826 43.790 11.303 15.990 0.53 40.68 H new ATOM 0 HE1BMET A 826 40.313 12.748 13.496 0.47 40.68 H new ATOM 0 HE2AMET A 826 42.250 11.226 16.349 0.53 40.68 H new ATOM 0 HE2BMET A 826 40.063 11.270 12.984 0.47 40.68 H new ATOM 0 HE3AMET A 826 43.225 10.060 16.792 0.53 40.68 H new ATOM 0 HE3BMET A 826 38.934 12.028 13.796 0.47 40.68 H new ATOM 1057 N TYR A 827 40.325 5.303 16.904 1.00 23.83 N ATOM 1058 CA TYR A 827 40.143 4.517 18.118 1.00 22.80 C ATOM 1059 C TYR A 827 40.985 3.256 18.020 1.00 24.96 C ATOM 1060 O TYR A 827 40.943 2.594 16.999 1.00 27.44 O ATOM 1061 CB TYR A 827 38.698 4.103 18.324 1.00 22.23 C ATOM 1062 CG TYR A 827 37.718 5.272 18.424 1.00 18.79 C ATOM 1063 CD1 TYR A 827 37.768 6.143 19.455 1.00 17.06 C ATOM 1064 CD2 TYR A 827 36.749 5.474 17.428 1.00 19.41 C ATOM 1065 CE1 TYR A 827 36.869 7.204 19.568 1.00 19.40 C ATOM 1066 CE2 TYR A 827 35.822 6.505 17.527 1.00 22.07 C ATOM 1067 CZ TYR A 827 35.897 7.394 18.582 1.00 20.15 C ATOM 1068 OH TYR A 827 34.960 8.433 18.698 1.00 22.59 O ATOM 0 H TYR A 827 39.831 5.077 16.237 1.00 23.83 H new ATOM 0 HA TYR A 827 40.412 5.071 18.867 1.00 22.80 H new ATOM 0 HB2 TYR A 827 38.428 3.530 17.589 1.00 22.23 H new ATOM 0 HB3 TYR A 827 38.637 3.573 19.134 1.00 22.23 H new ATOM 0 HD1 TYR A 827 38.420 6.032 20.108 1.00 17.06 H new ATOM 0 HD2 TYR A 827 36.727 4.909 16.690 1.00 19.41 H new ATOM 0 HE1 TYR A 827 36.916 7.782 20.295 1.00 19.40 H new ATOM 0 HE2 TYR A 827 35.154 6.596 16.886 1.00 22.07 H new ATOM 0 HH TYR A 827 35.209 8.970 19.294 1.00 22.59 H new ATOM 1069 N THR A 828 41.781 2.958 19.051 1.00 25.97 N ATOM 1070 CA THR A 828 42.605 1.757 19.062 1.00 22.73 C ATOM 1071 C THR A 828 41.922 0.586 19.779 1.00 21.00 C ATOM 1072 O THR A 828 42.268 -0.558 19.528 1.00 20.48 O ATOM 1073 CB THR A 828 43.969 2.008 19.695 1.00 26.99 C ATOM 1074 OG1 THR A 828 43.762 2.495 20.994 1.00 26.43 O ATOM 1075 CG2 THR A 828 44.749 3.056 18.935 1.00 28.27 C ATOM 0 H THR A 828 41.855 3.445 19.756 1.00 25.97 H new ATOM 0 HA THR A 828 42.729 1.517 18.130 1.00 22.73 H new ATOM 0 HB THR A 828 44.468 1.177 19.687 1.00 26.99 H new ATOM 0 HG1 THR A 828 44.504 2.639 21.361 1.00 26.43 H new ATOM 0 HG21 THR A 828 45.609 3.192 19.362 1.00 28.27 H new ATOM 0 HG22 THR A 828 44.885 2.759 18.022 1.00 28.27 H new ATOM 0 HG23 THR A 828 44.254 3.890 18.933 1.00 28.27 H new ATOM 1076 N ARG A 829 40.956 0.876 20.653 1.00 19.18 N ATOM 1077 CA AARG A 829 40.196 -0.141 21.347 0.23 20.71 C ATOM 1078 CA BARG A 829 40.198 -0.125 21.361 0.77 20.75 C ATOM 1079 C ARG A 829 38.704 0.199 21.326 1.00 20.49 C ATOM 1080 O ARG A 829 38.318 1.391 21.259 1.00 20.39 O ATOM 1081 CB AARG A 829 40.705 -0.291 22.787 0.23 22.54 C ATOM 1082 CB BARG A 829 40.657 -0.213 22.806 0.77 23.81 C ATOM 1083 CG AARG A 829 42.129 -0.865 22.853 0.23 23.51 C ATOM 1084 CG BARG A 829 42.048 -0.891 22.929 0.77 24.68 C ATOM 1085 CD AARG A 829 42.674 -1.050 24.247 0.23 25.61 C ATOM 1086 CD BARG A 829 42.525 -0.975 24.310 0.77 28.94 C ATOM 1087 NE AARG A 829 43.773 -2.026 24.238 0.23 26.57 N ATOM 1088 NE BARG A 829 43.990 -1.175 24.322 0.77 30.42 N ATOM 1089 CZ AARG A 829 45.054 -1.748 23.989 0.23 28.15 C ATOM 1090 CZ BARG A 829 44.650 -2.342 24.324 0.77 35.08 C ATOM 1091 NH1AARG A 829 45.452 -0.509 23.783 0.23 27.03 N ATOM 1092 NH1BARG A 829 44.040 -3.559 24.356 0.77 32.60 N ATOM 1093 NH2AARG A 829 45.953 -2.719 23.977 0.23 29.16 N ATOM 1094 NH2BARG A 829 45.990 -2.275 24.299 0.77 35.79 N ATOM 0 H AARG A 829 40.728 1.680 20.856 0.23 19.18 H new ATOM 0 H BARG A 829 40.727 1.682 20.847 0.77 19.18 H new ATOM 0 HA AARG A 829 40.317 -0.989 20.891 0.23 20.75 H new ATOM 0 HA BARG A 829 40.348 -0.977 20.922 0.77 20.75 H new ATOM 0 HB2AARG A 829 40.688 0.575 23.224 0.23 23.81 H new ATOM 0 HB2BARG A 829 40.697 0.678 23.188 0.77 23.81 H new ATOM 0 HB3AARG A 829 40.103 -0.870 23.281 0.23 23.81 H new ATOM 0 HB3BARG A 829 40.006 -0.714 23.322 0.77 23.81 H new ATOM 0 HG2AARG A 829 42.140 -1.722 22.399 0.23 24.68 H new ATOM 0 HG2BARG A 829 42.001 -1.784 22.554 0.77 24.68 H new ATOM 0 HG3AARG A 829 42.724 -0.277 22.362 0.23 24.68 H new ATOM 0 HG3BARG A 829 42.692 -0.395 22.400 0.77 24.68 H new ATOM 0 HD2AARG A 829 42.990 -0.201 24.593 0.23 28.94 H new ATOM 0 HD2BARG A 829 42.297 -0.163 24.790 0.77 28.94 H new ATOM 0 HD3AARG A 829 41.968 -1.353 24.840 0.23 28.94 H new ATOM 0 HD3BARG A 829 42.086 -1.708 24.769 0.77 28.94 H new ATOM 0 HE AARG A 829 43.574 -2.845 24.407 0.23 30.42 H new ATOM 0 HE BARG A 829 44.473 -0.463 24.328 0.77 30.42 H new ATOM 0 HH11AARG A 829 44.883 0.135 23.808 0.23 32.60 H new ATOM 0 HH11BARG A 829 43.182 -3.609 24.376 0.77 32.60 H new ATOM 0 HH12AARG A 829 46.281 -0.345 23.624 0.23 32.60 H new ATOM 0 HH12BARG A 829 44.513 -4.277 24.356 0.77 32.60 H new ATOM 0 HH21AARG A 829 45.712 -3.530 24.130 0.23 35.79 H new ATOM 0 HH21BARG A 829 46.382 -1.510 24.283 0.77 35.79 H new ATOM 0 HH22AARG A 829 46.778 -2.539 23.816 0.23 35.79 H new ATOM 0 HH22BARG A 829 46.457 -2.997 24.299 0.77 35.79 H new ATOM 1095 N VAL A 830 37.900 -0.831 21.455 1.00 17.48 N ATOM 1096 CA VAL A 830 36.438 -0.668 21.548 1.00 18.39 C ATOM 1097 C VAL A 830 36.034 0.377 22.632 1.00 18.45 C ATOM 1098 O VAL A 830 35.113 1.250 22.409 1.00 18.14 O ATOM 1099 CB VAL A 830 35.735 -1.990 21.759 1.00 16.48 C ATOM 1100 CG1 VAL A 830 34.270 -1.739 22.075 1.00 17.86 C ATOM 1101 CG2 VAL A 830 35.820 -2.811 20.517 1.00 19.37 C ATOM 0 H VAL A 830 38.169 -1.647 21.493 1.00 17.48 H new ATOM 0 HA VAL A 830 36.141 -0.319 20.693 1.00 18.39 H new ATOM 0 HB VAL A 830 36.160 -2.460 22.494 1.00 16.48 H new ATOM 0 HG11 VAL A 830 33.818 -2.587 22.211 1.00 17.86 H new ATOM 0 HG12 VAL A 830 34.200 -1.203 22.881 1.00 17.86 H new ATOM 0 HG13 VAL A 830 33.856 -1.267 21.336 1.00 17.86 H new ATOM 0 HG21 VAL A 830 35.368 -3.658 20.657 1.00 19.37 H new ATOM 0 HG22 VAL A 830 35.396 -2.336 19.785 1.00 19.37 H new ATOM 0 HG23 VAL A 830 36.751 -2.974 20.300 1.00 19.37 H new ATOM 1102 N GLU A 831 36.749 0.345 23.754 1.00 18.00 N ATOM 1103 CA GLU A 831 36.589 1.313 24.827 1.00 22.86 C ATOM 1104 C GLU A 831 36.532 2.805 24.391 1.00 20.20 C ATOM 1105 O GLU A 831 35.722 3.567 24.873 1.00 18.85 O ATOM 1106 CB GLU A 831 37.776 1.142 25.759 1.00 29.26 C ATOM 1107 CG GLU A 831 37.644 1.836 27.052 1.00 40.09 C ATOM 1108 CD GLU A 831 38.835 1.467 27.947 1.00 55.78 C ATOM 1109 OE1 GLU A 831 40.003 1.390 27.395 1.00 54.33 O ATOM 1110 OE2 GLU A 831 38.560 1.205 29.153 1.00 59.53 O ATOM 0 H GLU A 831 37.349 -0.250 23.912 1.00 18.00 H new ATOM 0 HA GLU A 831 35.728 1.131 25.235 1.00 22.86 H new ATOM 0 HB2 GLU A 831 37.908 0.196 25.925 1.00 29.26 H new ATOM 0 HB3 GLU A 831 38.573 1.466 25.311 1.00 29.26 H new ATOM 0 HG2 GLU A 831 37.614 2.796 26.915 1.00 40.09 H new ATOM 0 HG3 GLU A 831 36.812 1.585 27.483 1.00 40.09 H new ATOM 1111 N GLY A 832 37.400 3.182 23.477 1.00 18.68 N ATOM 1112 CA GLY A 832 37.496 4.555 22.984 1.00 22.51 C ATOM 1113 C GLY A 832 36.176 4.989 22.337 1.00 20.12 C ATOM 1114 O GLY A 832 35.683 6.099 22.590 1.00 18.15 O ATOM 0 H GLY A 832 37.964 2.644 23.114 1.00 18.68 H new ATOM 0 HA2 GLY A 832 37.715 5.152 23.716 1.00 22.51 H new ATOM 0 HA3 GLY A 832 38.216 4.622 22.338 1.00 22.51 H new ATOM 1115 N PHE A 833 35.616 4.111 21.529 1.00 19.45 N ATOM 1116 CA PHE A 833 34.407 4.398 20.775 1.00 18.01 C ATOM 1117 C PHE A 833 33.250 4.450 21.778 1.00 18.55 C ATOM 1118 O PHE A 833 32.459 5.383 21.777 1.00 16.28 O ATOM 1119 CB PHE A 833 34.186 3.344 19.696 1.00 18.41 C ATOM 1120 CG PHE A 833 32.789 3.295 19.145 1.00 18.21 C ATOM 1121 CD1 PHE A 833 32.378 4.205 18.181 1.00 17.47 C ATOM 1122 CD2 PHE A 833 31.898 2.291 19.546 1.00 18.83 C ATOM 1123 CE1 PHE A 833 31.082 4.180 17.693 1.00 19.31 C ATOM 1124 CE2 PHE A 833 30.592 2.259 19.052 1.00 20.07 C ATOM 1125 CZ PHE A 833 30.180 3.190 18.101 1.00 19.73 C ATOM 0 H PHE A 833 35.929 3.320 21.399 1.00 19.45 H new ATOM 0 HA PHE A 833 34.475 5.248 20.312 1.00 18.01 H new ATOM 0 HB2 PHE A 833 34.803 3.511 18.966 1.00 18.41 H new ATOM 0 HB3 PHE A 833 34.408 2.473 20.061 1.00 18.41 H new ATOM 0 HD1 PHE A 833 32.979 4.838 17.860 1.00 17.47 H new ATOM 0 HD2 PHE A 833 32.179 1.639 20.147 1.00 18.83 H new ATOM 0 HE1 PHE A 833 30.807 4.829 17.086 1.00 19.31 H new ATOM 0 HE2 PHE A 833 29.996 1.614 19.359 1.00 20.07 H new ATOM 0 HZ PHE A 833 29.322 3.155 17.744 1.00 19.73 H new ATOM 1126 N VAL A 834 33.150 3.448 22.643 1.00 17.20 N ATOM 1127 CA VAL A 834 32.045 3.369 23.600 1.00 18.96 C ATOM 1128 C VAL A 834 32.081 4.569 24.543 1.00 17.88 C ATOM 1129 O VAL A 834 31.025 5.125 24.825 1.00 17.34 O ATOM 1130 CB VAL A 834 32.001 2.004 24.357 1.00 18.84 C ATOM 1131 CG1 VAL A 834 30.999 1.984 25.535 1.00 19.83 C ATOM 1132 CG2 VAL A 834 31.652 0.901 23.365 1.00 17.72 C ATOM 0 H VAL A 834 33.713 2.800 22.695 1.00 17.20 H new ATOM 0 HA VAL A 834 31.213 3.407 23.102 1.00 18.96 H new ATOM 0 HB VAL A 834 32.879 1.862 24.744 1.00 18.84 H new ATOM 0 HG11 VAL A 834 31.019 1.113 25.962 1.00 19.83 H new ATOM 0 HG12 VAL A 834 31.244 2.666 26.180 1.00 19.83 H new ATOM 0 HG13 VAL A 834 30.105 2.160 25.203 1.00 19.83 H new ATOM 0 HG21 VAL A 834 31.622 0.048 23.826 1.00 17.72 H new ATOM 0 HG22 VAL A 834 30.786 1.084 22.969 1.00 17.72 H new ATOM 0 HG23 VAL A 834 32.326 0.868 22.668 1.00 17.72 H new ATOM 1133 N GLN A 835 33.262 4.961 25.034 1.00 18.02 N ATOM 1134 CA GLN A 835 33.375 6.124 25.898 1.00 20.63 C ATOM 1135 C GLN A 835 32.841 7.397 25.216 1.00 19.86 C ATOM 1136 O GLN A 835 32.124 8.153 25.871 1.00 20.33 O ATOM 1137 CB GLN A 835 34.793 6.420 26.366 1.00 22.50 C ATOM 1138 CG GLN A 835 35.155 5.450 27.471 1.00 25.85 C ATOM 1139 CD GLN A 835 36.634 5.411 27.872 1.00 33.82 C ATOM 1140 OE1 GLN A 835 37.525 5.922 27.173 1.00 34.14 O ATOM 1141 NE2 GLN A 835 36.890 4.724 29.001 1.00 38.83 N ATOM 0 H GLN A 835 34.007 4.562 24.874 1.00 18.02 H new ATOM 0 HA GLN A 835 32.838 5.890 26.671 1.00 20.63 H new ATOM 0 HB2 GLN A 835 35.415 6.334 25.627 1.00 22.50 H new ATOM 0 HB3 GLN A 835 34.857 7.333 26.687 1.00 22.50 H new ATOM 0 HG2 GLN A 835 34.631 5.672 28.257 1.00 25.85 H new ATOM 0 HG3 GLN A 835 34.889 4.559 27.195 1.00 25.85 H new ATOM 0 HE21 GLN A 835 36.242 4.386 29.455 1.00 38.83 H new ATOM 0 HE22 GLN A 835 37.701 4.623 29.268 1.00 38.83 H new ATOM 1142 N ASP A 836 33.236 7.664 24.000 1.00 19.54 N ATOM 1143 CA ASP A 836 32.672 8.794 23.232 1.00 18.63 C ATOM 1144 C ASP A 836 31.185 8.710 23.035 1.00 17.55 C ATOM 1145 O ASP A 836 30.516 9.714 23.240 1.00 15.70 O ATOM 1146 CB ASP A 836 33.332 8.991 21.887 1.00 20.48 C ATOM 1147 CG ASP A 836 34.721 9.684 21.977 1.00 24.59 C ATOM 1148 OD1 ASP A 836 35.084 10.132 23.088 1.00 26.46 O ATOM 1149 OD2 ASP A 836 35.415 9.717 20.897 1.00 24.15 O ATOM 0 H ASP A 836 33.834 7.211 23.579 1.00 19.54 H new ATOM 0 HA ASP A 836 32.863 9.563 23.791 1.00 18.63 H new ATOM 0 HB2 ASP A 836 33.436 8.128 21.456 1.00 20.48 H new ATOM 0 HB3 ASP A 836 32.749 9.522 21.323 1.00 20.48 H new ATOM 1150 N MET A 837 30.650 7.544 22.666 1.00 16.61 N ATOM 1151 CA MET A 837 29.200 7.405 22.570 1.00 16.13 C ATOM 1152 C MET A 837 28.495 7.713 23.863 1.00 17.95 C ATOM 1153 O MET A 837 27.505 8.515 23.879 1.00 18.63 O ATOM 1154 CB MET A 837 28.775 6.056 22.015 1.00 16.15 C ATOM 1155 CG MET A 837 29.283 5.758 20.615 1.00 18.05 C ATOM 1156 SD MET A 837 28.438 6.845 19.379 1.00 19.19 S ATOM 1157 CE MET A 837 26.813 6.077 19.348 1.00 19.14 C ATOM 0 H MET A 837 31.100 6.837 22.471 1.00 16.61 H new ATOM 0 HA MET A 837 28.920 8.078 21.930 1.00 16.13 H new ATOM 0 HB2 MET A 837 29.088 5.360 22.614 1.00 16.15 H new ATOM 0 HB3 MET A 837 27.806 6.012 22.011 1.00 16.15 H new ATOM 0 HG2 MET A 837 30.242 5.898 20.576 1.00 18.05 H new ATOM 0 HG3 MET A 837 29.123 4.826 20.398 1.00 18.05 H new ATOM 0 HE1 MET A 837 26.340 6.352 18.547 1.00 19.14 H new ATOM 0 HE2 MET A 837 26.911 5.112 19.350 1.00 19.14 H new ATOM 0 HE3 MET A 837 26.310 6.352 20.130 1.00 19.14 H new ATOM 1158 N ARG A 838 28.983 7.152 24.989 1.00 16.58 N ATOM 1159 CA ARG A 838 28.273 7.372 26.252 1.00 17.86 C ATOM 1160 C ARG A 838 28.388 8.836 26.701 1.00 17.09 C ATOM 1161 O ARG A 838 27.463 9.376 27.320 1.00 18.20 O ATOM 1162 CB ARG A 838 28.862 6.444 27.362 1.00 18.73 C ATOM 1163 CG ARG A 838 28.344 4.994 27.150 1.00 20.01 C ATOM 1164 CD ARG A 838 29.063 4.007 28.090 1.00 21.29 C ATOM 1165 NE ARG A 838 28.348 2.735 27.971 1.00 23.02 N ATOM 1166 CZ ARG A 838 28.800 1.548 28.431 1.00 27.76 C ATOM 1167 NH1 ARG A 838 29.990 1.477 28.987 1.00 24.38 N ATOM 1168 NH2 ARG A 838 28.023 0.443 28.308 1.00 25.54 N ATOM 0 H ARG A 838 29.690 6.665 25.037 1.00 16.58 H new ATOM 0 HA ARG A 838 27.336 7.163 26.111 1.00 17.86 H new ATOM 0 HB2 ARG A 838 29.831 6.460 27.330 1.00 18.73 H new ATOM 0 HB3 ARG A 838 28.602 6.766 28.239 1.00 18.73 H new ATOM 0 HG2 ARG A 838 27.388 4.962 27.312 1.00 20.01 H new ATOM 0 HG3 ARG A 838 28.485 4.728 26.228 1.00 20.01 H new ATOM 0 HD2 ARG A 838 29.994 3.906 27.839 1.00 21.29 H new ATOM 0 HD3 ARG A 838 29.049 4.328 29.005 1.00 21.29 H new ATOM 0 HE ARG A 838 27.583 2.744 27.579 1.00 23.02 H new ATOM 0 HH11 ARG A 838 30.475 2.184 29.056 1.00 24.38 H new ATOM 0 HH12 ARG A 838 30.283 0.724 29.282 1.00 24.38 H new ATOM 0 HH21 ARG A 838 27.248 0.501 27.939 1.00 25.54 H new ATOM 0 HH22 ARG A 838 28.305 -0.316 28.599 1.00 25.54 H new ATOM 1169 N LEU A 839 29.465 9.479 26.301 1.00 17.26 N ATOM 1170 CA LEU A 839 29.709 10.896 26.660 1.00 18.79 C ATOM 1171 C LEU A 839 28.676 11.833 26.004 1.00 19.34 C ATOM 1172 O LEU A 839 28.225 12.815 26.627 1.00 17.63 O ATOM 1173 CB LEU A 839 31.121 11.300 26.195 1.00 21.16 C ATOM 1174 CG LEU A 839 31.592 12.752 26.502 1.00 23.79 C ATOM 1175 CD1 LEU A 839 31.617 12.975 27.979 1.00 24.96 C ATOM 1176 CD2 LEU A 839 32.947 12.960 25.903 1.00 25.30 C ATOM 0 H LEU A 839 30.082 9.125 25.817 1.00 17.26 H new ATOM 0 HA LEU A 839 29.628 10.981 27.623 1.00 18.79 H new ATOM 0 HB2 LEU A 839 31.756 10.688 26.599 1.00 21.16 H new ATOM 0 HB3 LEU A 839 31.170 11.166 25.235 1.00 21.16 H new ATOM 0 HG LEU A 839 30.976 13.392 26.113 1.00 23.79 H new ATOM 0 HD11 LEU A 839 31.911 13.881 28.165 1.00 24.96 H new ATOM 0 HD12 LEU A 839 30.727 12.844 28.341 1.00 24.96 H new ATOM 0 HD13 LEU A 839 32.229 12.346 28.391 1.00 24.96 H new ATOM 0 HD21 LEU A 839 33.248 13.863 26.090 1.00 25.30 H new ATOM 0 HD22 LEU A 839 33.572 12.325 26.287 1.00 25.30 H new ATOM 0 HD23 LEU A 839 32.901 12.827 24.943 1.00 25.30 H new ATOM 1177 N ILE A 840 28.291 11.513 24.779 1.00 17.08 N ATOM 1178 CA ILE A 840 27.192 12.237 24.129 1.00 18.43 C ATOM 1179 C ILE A 840 25.983 12.320 25.043 1.00 18.48 C ATOM 1180 O ILE A 840 25.385 13.402 25.244 1.00 18.52 O ATOM 1181 CB ILE A 840 26.813 11.609 22.770 1.00 17.90 C ATOM 1182 CG1 ILE A 840 27.992 11.725 21.781 1.00 17.61 C ATOM 1183 CG2 ILE A 840 25.480 12.136 22.240 1.00 16.59 C ATOM 1184 CD1 ILE A 840 27.832 10.912 20.527 1.00 19.05 C ATOM 0 H ILE A 840 28.644 10.888 24.305 1.00 17.08 H new ATOM 0 HA ILE A 840 27.505 13.138 23.953 1.00 18.43 H new ATOM 0 HB ILE A 840 26.656 10.660 22.894 1.00 17.90 H new ATOM 0 HG12 ILE A 840 28.105 12.657 21.537 1.00 17.61 H new ATOM 0 HG13 ILE A 840 28.806 11.449 22.231 1.00 17.61 H new ATOM 0 HG21 ILE A 840 25.282 11.717 21.388 1.00 16.59 H new ATOM 0 HG22 ILE A 840 24.775 11.929 22.873 1.00 16.59 H new ATOM 0 HG23 ILE A 840 25.536 13.097 22.122 1.00 16.59 H new ATOM 0 HD11 ILE A 840 28.609 11.036 19.959 1.00 19.05 H new ATOM 0 HD12 ILE A 840 27.748 9.974 20.758 1.00 19.05 H new ATOM 0 HD13 ILE A 840 27.036 11.201 20.053 1.00 19.05 H new ATOM 1185 N PHE A 841 25.505 11.190 25.519 1.00 18.07 N ATOM 1186 CA PHE A 841 24.302 11.210 26.311 1.00 18.57 C ATOM 1187 C PHE A 841 24.495 11.767 27.706 1.00 19.77 C ATOM 1188 O PHE A 841 23.578 12.393 28.243 1.00 22.21 O ATOM 1189 CB PHE A 841 23.641 9.802 26.314 1.00 19.41 C ATOM 1190 CG PHE A 841 23.580 9.217 24.955 1.00 18.95 C ATOM 1191 CD1 PHE A 841 22.878 9.880 23.968 1.00 21.46 C ATOM 1192 CD2 PHE A 841 24.343 8.132 24.631 1.00 19.86 C ATOM 1193 CE1 PHE A 841 22.836 9.381 22.683 1.00 25.22 C ATOM 1194 CE2 PHE A 841 24.305 7.609 23.343 1.00 21.56 C ATOM 1195 CZ PHE A 841 23.602 8.256 22.370 1.00 23.16 C ATOM 0 H PHE A 841 25.855 10.414 25.397 1.00 18.07 H new ATOM 0 HA PHE A 841 23.693 11.835 25.888 1.00 18.57 H new ATOM 0 HB2 PHE A 841 24.142 9.211 26.898 1.00 19.41 H new ATOM 0 HB3 PHE A 841 22.744 9.867 26.678 1.00 19.41 H new ATOM 0 HD1 PHE A 841 22.430 10.669 24.171 1.00 21.46 H new ATOM 0 HD2 PHE A 841 24.890 7.741 25.274 1.00 19.86 H new ATOM 0 HE1 PHE A 841 22.306 9.787 22.035 1.00 25.22 H new ATOM 0 HE2 PHE A 841 24.757 6.821 23.146 1.00 21.56 H new ATOM 0 HZ PHE A 841 23.633 7.947 21.494 1.00 23.16 H new ATOM 1196 N HIS A 842 25.639 11.534 28.282 1.00 20.06 N ATOM 1197 CA HIS A 842 25.945 12.060 29.613 1.00 22.96 C ATOM 1198 C HIS A 842 26.005 13.615 29.616 1.00 21.60 C ATOM 1199 O HIS A 842 25.397 14.254 30.517 1.00 19.50 O ATOM 1200 CB HIS A 842 27.258 11.567 30.136 1.00 25.82 C ATOM 1201 CG HIS A 842 27.454 11.874 31.582 1.00 32.48 C ATOM 1202 ND1 HIS A 842 28.324 12.841 32.031 1.00 39.16 N ATOM 1203 CD2 HIS A 842 26.896 11.330 32.691 1.00 40.74 C ATOM 1204 CE1 HIS A 842 28.306 12.877 33.355 1.00 37.68 C ATOM 1205 NE2 HIS A 842 27.448 11.969 33.780 1.00 40.60 N ATOM 0 H HIS A 842 26.270 11.070 27.928 1.00 20.06 H new ATOM 0 HA HIS A 842 25.225 11.744 30.181 1.00 22.96 H new ATOM 0 HB2 HIS A 842 27.316 10.608 30.002 1.00 25.82 H new ATOM 0 HB3 HIS A 842 27.977 11.969 29.624 1.00 25.82 H new ATOM 0 HD1 HIS A 842 28.806 13.345 31.528 1.00 39.16 H new ATOM 0 HD2 HIS A 842 26.260 10.652 32.713 1.00 40.74 H new ATOM 0 HE1 HIS A 842 28.811 13.444 33.892 1.00 37.68 H new ATOM 1206 N ASN A 843 26.639 14.181 28.602 1.00 18.85 N ATOM 1207 CA ASN A 843 26.715 15.637 28.462 1.00 20.75 C ATOM 1208 C ASN A 843 25.302 16.225 28.349 1.00 19.15 C ATOM 1209 O ASN A 843 24.965 17.249 29.002 1.00 22.05 O ATOM 1210 CB ASN A 843 27.510 16.057 27.221 1.00 18.69 C ATOM 1211 CG ASN A 843 28.995 15.888 27.365 1.00 19.31 C ATOM 1212 OD1 ASN A 843 29.520 15.705 28.425 1.00 20.74 O ATOM 1213 ND2 ASN A 843 29.676 16.045 26.277 1.00 17.56 N ATOM 0 H ASN A 843 27.036 13.742 27.978 1.00 18.85 H new ATOM 0 HA ASN A 843 27.169 15.974 29.250 1.00 20.75 H new ATOM 0 HB2 ASN A 843 27.206 15.536 26.461 1.00 18.69 H new ATOM 0 HB3 ASN A 843 27.317 16.987 27.023 1.00 18.69 H new ATOM 0 HD21 ASN A 843 30.535 16.020 26.300 1.00 17.56 H new ATOM 0 HD22 ASN A 843 29.270 16.175 25.530 1.00 17.56 H new ATOM 1214 N HIS A 844 24.431 15.597 27.556 1.00 18.79 N ATOM 1215 CA HIS A 844 23.048 16.025 27.392 1.00 20.99 C ATOM 1216 C HIS A 844 22.249 15.996 28.714 1.00 21.81 C ATOM 1217 O HIS A 844 21.595 16.992 29.049 1.00 22.30 O ATOM 1218 CB HIS A 844 22.357 15.134 26.375 1.00 21.31 C ATOM 1219 CG HIS A 844 20.926 15.471 26.096 1.00 20.81 C ATOM 1220 ND1 HIS A 844 20.543 16.266 25.033 1.00 22.42 N ATOM 1221 CD2 HIS A 844 19.776 15.070 26.697 1.00 19.18 C ATOM 1222 CE1 HIS A 844 19.215 16.328 25.003 1.00 21.83 C ATOM 1223 NE2 HIS A 844 18.741 15.645 26.022 1.00 20.72 N ATOM 0 H HIS A 844 24.634 14.901 27.093 1.00 18.79 H new ATOM 0 HA HIS A 844 23.072 16.945 27.087 1.00 20.99 H new ATOM 0 HB2 HIS A 844 22.852 15.175 25.542 1.00 21.31 H new ATOM 0 HB3 HIS A 844 22.403 14.217 26.687 1.00 21.31 H new ATOM 0 HD2 HIS A 844 19.707 14.507 27.434 1.00 19.18 H new ATOM 0 HE1 HIS A 844 18.707 16.779 24.368 1.00 21.83 H new ATOM 0 HE2 HIS A 844 17.910 15.573 26.230 1.00 20.72 H new ATOM 1224 N LYS A 845 22.341 14.911 29.455 1.00 23.83 N ATOM 1225 CA ALYS A 845 21.686 14.791 30.792 0.50 27.76 C ATOM 1226 CA BLYS A 845 21.657 14.809 30.749 0.50 27.63 C ATOM 1227 C LYS A 845 22.148 15.871 31.741 1.00 27.01 C ATOM 1228 O LYS A 845 21.360 16.520 32.406 1.00 28.84 O ATOM 1229 CB ALYS A 845 22.034 13.475 31.478 0.50 30.48 C ATOM 1230 CB BLYS A 845 21.877 13.425 31.325 0.50 29.58 C ATOM 1231 CG ALYS A 845 21.367 12.281 30.872 0.50 36.85 C ATOM 1232 CG BLYS A 845 21.234 13.196 32.671 0.50 34.87 C ATOM 1233 CD ALYS A 845 21.946 10.947 31.337 0.50 40.95 C ATOM 1234 CD BLYS A 845 22.281 13.002 33.724 0.50 38.34 C ATOM 1235 CE ALYS A 845 21.064 10.341 32.405 0.50 43.55 C ATOM 1236 CE BLYS A 845 22.361 11.541 34.092 0.50 39.73 C ATOM 1237 NZ ALYS A 845 21.216 8.853 32.460 0.50 47.19 N ATOM 1238 NZ BLYS A 845 21.278 11.257 35.064 0.50 41.95 N ATOM 0 H ALYS A 845 22.780 14.211 29.217 0.50 23.83 H new ATOM 0 H BLYS A 845 22.794 14.214 29.235 0.50 23.83 H new ATOM 0 HA ALYS A 845 20.735 14.857 30.613 0.50 27.63 H new ATOM 0 HA BLYS A 845 20.711 14.963 30.602 0.50 27.63 H new ATOM 0 HB2ALYS A 845 22.995 13.348 31.447 0.50 29.58 H new ATOM 0 HB2BLYS A 845 21.533 12.769 30.699 0.50 29.58 H new ATOM 0 HB3ALYS A 845 21.786 13.533 32.414 0.50 29.58 H new ATOM 0 HB3BLYS A 845 22.831 13.268 31.404 0.50 29.58 H new ATOM 0 HG2ALYS A 845 20.421 12.306 31.087 0.50 34.87 H new ATOM 0 HG2BLYS A 845 20.672 13.953 32.901 0.50 34.87 H new ATOM 0 HG3ALYS A 845 21.440 12.336 29.906 0.50 34.87 H new ATOM 0 HG3BLYS A 845 20.658 12.417 32.632 0.50 34.87 H new ATOM 0 HD2ALYS A 845 22.020 10.339 30.585 0.50 38.34 H new ATOM 0 HD2BLYS A 845 23.141 13.311 33.399 0.50 38.34 H new ATOM 0 HD3ALYS A 845 22.842 11.079 31.684 0.50 38.34 H new ATOM 0 HD3BLYS A 845 22.067 13.532 34.508 0.50 38.34 H new ATOM 0 HE2ALYS A 845 21.289 10.723 33.268 0.50 39.73 H new ATOM 0 HE2BLYS A 845 22.263 10.986 33.303 0.50 39.73 H new ATOM 0 HE3ALYS A 845 20.137 10.567 32.228 0.50 39.73 H new ATOM 0 HE3BLYS A 845 23.227 11.335 34.478 0.50 39.73 H new ATOM 0 HZ1ALYS A 845 20.687 8.524 33.095 0.50 41.95 H new ATOM 0 HZ1BLYS A 845 21.305 10.398 35.297 0.50 41.95 H new ATOM 0 HZ2ALYS A 845 20.989 8.502 31.674 0.50 41.95 H new ATOM 0 HZ2BLYS A 845 21.388 11.764 35.788 0.50 41.95 H new ATOM 0 HZ3ALYS A 845 22.062 8.647 32.643 0.50 41.95 H new ATOM 0 HZ3BLYS A 845 20.490 11.438 34.692 0.50 41.95 H new ATOM 1239 N GLU A 846 23.447 16.041 31.828 1.00 25.57 N ATOM 1240 CA GLU A 846 23.965 17.094 32.687 1.00 30.52 C ATOM 1241 C GLU A 846 23.546 18.529 32.309 1.00 29.04 C ATOM 1242 O GLU A 846 23.263 19.354 33.190 1.00 33.69 O ATOM 1243 CB GLU A 846 25.468 16.974 32.850 1.00 35.90 C ATOM 1244 CG GLU A 846 25.885 15.677 33.575 1.00 42.11 C ATOM 1245 CD GLU A 846 25.211 15.545 34.955 1.00 49.73 C ATOM 1246 OE1 GLU A 846 25.602 16.332 35.837 1.00 50.19 O ATOM 1247 OE2 GLU A 846 24.281 14.711 35.131 1.00 48.26 O ATOM 0 H GLU A 846 24.038 15.575 31.413 1.00 25.57 H new ATOM 0 HA GLU A 846 23.537 16.944 33.545 1.00 30.52 H new ATOM 0 HB2 GLU A 846 25.888 17.001 31.976 1.00 35.90 H new ATOM 0 HB3 GLU A 846 25.798 17.739 33.347 1.00 35.90 H new ATOM 0 HG2 GLU A 846 25.651 14.912 33.027 1.00 42.11 H new ATOM 0 HG3 GLU A 846 26.849 15.664 33.684 1.00 42.11 H new ATOM 1248 N PHE A 847 23.474 18.823 31.040 1.00 25.27 N ATOM 1249 CA PHE A 847 23.204 20.217 30.597 1.00 26.31 C ATOM 1250 C PHE A 847 21.702 20.575 30.778 1.00 24.73 C ATOM 1251 O PHE A 847 21.346 21.679 31.241 1.00 27.53 O ATOM 1252 CB PHE A 847 23.613 20.399 29.175 1.00 23.62 C ATOM 1253 CG PHE A 847 23.451 21.796 28.701 1.00 23.03 C ATOM 1254 CD1 PHE A 847 24.290 22.794 29.184 1.00 24.84 C ATOM 1255 CD2 PHE A 847 22.434 22.128 27.865 1.00 21.03 C ATOM 1256 CE1 PHE A 847 24.151 24.135 28.731 1.00 24.09 C ATOM 1257 CE2 PHE A 847 22.251 23.476 27.445 1.00 24.77 C ATOM 1258 CZ PHE A 847 23.138 24.449 27.852 1.00 21.74 C ATOM 0 H PHE A 847 23.574 18.254 30.403 1.00 25.27 H new ATOM 0 HA PHE A 847 23.728 20.817 31.151 1.00 26.31 H new ATOM 0 HB2 PHE A 847 24.540 20.134 29.074 1.00 23.62 H new ATOM 0 HB3 PHE A 847 23.086 19.809 28.614 1.00 23.62 H new ATOM 0 HD1 PHE A 847 24.947 22.583 29.808 1.00 24.84 H new ATOM 0 HD2 PHE A 847 21.851 21.469 27.564 1.00 21.03 H new ATOM 0 HE1 PHE A 847 24.738 24.793 29.025 1.00 24.09 H new ATOM 0 HE2 PHE A 847 21.534 23.700 26.897 1.00 24.77 H new ATOM 0 HZ PHE A 847 23.053 25.318 27.533 1.00 21.74 H new ATOM 1259 N TYR A 848 20.828 19.659 30.392 1.00 20.74 N ATOM 1260 CA TYR A 848 19.412 19.931 30.392 1.00 23.38 C ATOM 1261 C TYR A 848 18.744 19.677 31.738 1.00 31.36 C ATOM 1262 O TYR A 848 17.618 20.149 31.938 1.00 41.17 O ATOM 1263 CB TYR A 848 18.696 19.266 29.236 1.00 23.88 C ATOM 1264 CG TYR A 848 19.068 19.905 27.917 1.00 23.29 C ATOM 1265 CD1 TYR A 848 18.553 21.144 27.559 1.00 23.07 C ATOM 1266 CD2 TYR A 848 19.917 19.296 27.030 1.00 21.42 C ATOM 1267 CE1 TYR A 848 18.878 21.710 26.371 1.00 23.53 C ATOM 1268 CE2 TYR A 848 20.202 19.844 25.832 1.00 21.76 C ATOM 1269 CZ TYR A 848 19.697 21.081 25.539 1.00 24.62 C ATOM 1270 OH TYR A 848 19.985 21.680 24.341 1.00 27.82 O ATOM 0 H TYR A 848 21.041 18.870 30.125 1.00 20.74 H new ATOM 0 HA TYR A 848 19.327 20.887 30.248 1.00 23.38 H new ATOM 0 HB2 TYR A 848 18.919 18.322 29.215 1.00 23.88 H new ATOM 0 HB3 TYR A 848 17.737 19.328 29.368 1.00 23.88 H new ATOM 0 HD1 TYR A 848 17.980 21.590 28.140 1.00 23.07 H new ATOM 0 HD2 TYR A 848 20.307 18.484 27.261 1.00 21.42 H new ATOM 0 HE1 TYR A 848 18.527 22.539 26.139 1.00 23.53 H new ATOM 0 HE2 TYR A 848 20.732 19.390 25.217 1.00 21.76 H new ATOM 0 HH TYR A 848 19.949 22.515 24.429 1.00 27.82 H new ATOM 1271 N ARG A 849 19.457 19.082 32.693 1.00 31.33 N ATOM 1272 CA ARG A 849 19.032 19.095 34.128 1.00 46.40 C ATOM 1273 C ARG A 849 17.577 18.663 34.259 1.00 43.28 C ATOM 1274 O ARG A 849 17.279 17.532 33.956 1.00 47.18 O ATOM 1275 CB ARG A 849 19.163 20.483 34.776 1.00 54.97 C ATOM 1276 CG ARG A 849 20.503 21.145 34.731 1.00 70.04 C ATOM 1277 CD ARG A 849 21.460 20.609 35.753 1.00 75.57 C ATOM 1278 NE ARG A 849 22.545 21.590 35.875 1.00 84.19 N ATOM 1279 CZ ARG A 849 22.631 22.542 36.801 1.00 82.01 C ATOM 1280 NH1 ARG A 849 21.717 22.667 37.759 1.00 82.57 N ATOM 1281 NH2 ARG A 849 23.671 23.369 36.785 1.00 86.18 N ATOM 0 H ARG A 849 20.193 18.661 32.547 1.00 31.33 H new ATOM 0 HA ARG A 849 19.625 18.477 34.584 1.00 46.40 H new ATOM 0 HB2 ARG A 849 18.523 21.074 34.349 1.00 54.97 H new ATOM 0 HB3 ARG A 849 18.899 20.405 35.706 1.00 54.97 H new ATOM 0 HG2 ARG A 849 20.885 21.030 33.847 1.00 70.04 H new ATOM 0 HG3 ARG A 849 20.391 22.099 34.870 1.00 70.04 H new ATOM 0 HD2 ARG A 849 21.016 20.480 36.606 1.00 75.57 H new ATOM 0 HD3 ARG A 849 21.807 19.745 35.480 1.00 75.57 H new ATOM 0 HE ARG A 849 23.181 21.546 35.298 1.00 84.19 H new ATOM 0 HH11 ARG A 849 21.050 22.125 37.790 1.00 82.57 H new ATOM 0 HH12 ARG A 849 21.793 23.290 38.347 1.00 82.57 H new ATOM 0 HH21 ARG A 849 24.278 23.285 36.181 1.00 86.18 H new ATOM 0 HH22 ARG A 849 23.737 23.988 37.378 1.00 86.18 H new ATOM 1282 N GLU A 850 16.662 19.560 34.638 1.00 40.48 N ATOM 1283 CA GLU A 850 15.326 19.104 34.945 1.00 49.19 C ATOM 1284 C GLU A 850 14.366 19.377 33.799 1.00 40.40 C ATOM 1285 O GLU A 850 13.207 19.005 33.928 1.00 44.28 O ATOM 1286 CB GLU A 850 14.776 19.689 36.278 1.00 57.35 C ATOM 1287 CG GLU A 850 15.725 19.626 37.491 1.00 69.32 C ATOM 1288 CD GLU A 850 16.133 18.211 37.886 1.00 75.25 C ATOM 1289 OE1 GLU A 850 15.288 17.529 38.499 1.00 88.98 O ATOM 1290 OE2 GLU A 850 17.294 17.783 37.614 1.00 79.60 O ATOM 0 H GLU A 850 16.796 20.406 34.719 1.00 40.48 H new ATOM 0 HA GLU A 850 15.393 18.144 35.066 1.00 49.19 H new ATOM 0 HB2 GLU A 850 14.535 20.616 36.127 1.00 57.35 H new ATOM 0 HB3 GLU A 850 13.960 19.217 36.505 1.00 57.35 H new ATOM 0 HG2 GLU A 850 16.524 20.139 37.292 1.00 69.32 H new ATOM 0 HG3 GLU A 850 15.295 20.052 38.249 1.00 69.32 H new ATOM 1291 N ASP A 851 14.803 20.007 32.698 1.00 32.33 N ATOM 1292 CA ASP A 851 13.967 20.116 31.536 1.00 28.71 C ATOM 1293 C ASP A 851 13.629 18.733 31.053 1.00 30.23 C ATOM 1294 O ASP A 851 14.478 17.800 31.072 1.00 25.50 O ATOM 1295 CB ASP A 851 14.677 20.888 30.398 1.00 32.54 C ATOM 1296 CG ASP A 851 13.732 21.407 29.319 1.00 34.68 C ATOM 1297 OD1 ASP A 851 13.059 20.631 28.574 1.00 30.05 O ATOM 1298 OD2 ASP A 851 13.791 22.648 29.083 1.00 37.57 O ATOM 0 H ASP A 851 15.579 20.370 32.621 1.00 32.33 H new ATOM 0 HA ASP A 851 13.165 20.604 31.779 1.00 28.71 H new ATOM 0 HB2 ASP A 851 15.160 21.637 30.780 1.00 32.54 H new ATOM 0 HB3 ASP A 851 15.335 20.306 29.986 1.00 32.54 H new ATOM 1299 N LYS A 852 12.410 18.601 30.575 1.00 24.36 N ATOM 1300 CA LYS A 852 11.956 17.322 30.103 1.00 26.76 C ATOM 1301 C LYS A 852 12.746 16.863 28.851 1.00 22.65 C ATOM 1302 O LYS A 852 12.720 15.696 28.495 1.00 23.10 O ATOM 1303 CB LYS A 852 10.478 17.320 29.794 1.00 31.07 C ATOM 1304 CG LYS A 852 10.075 18.268 28.693 1.00 36.71 C ATOM 1305 CD LYS A 852 8.568 18.462 28.622 1.00 41.87 C ATOM 1306 CE LYS A 852 8.239 19.619 27.647 1.00 43.33 C ATOM 1307 NZ LYS A 852 6.803 19.817 27.280 1.00 39.89 N ATOM 0 H LYS A 852 11.835 19.238 30.516 1.00 24.36 H new ATOM 0 HA LYS A 852 12.118 16.696 30.826 1.00 26.76 H new ATOM 0 HB2 LYS A 852 10.211 16.421 29.547 1.00 31.07 H new ATOM 0 HB3 LYS A 852 9.989 17.550 30.600 1.00 31.07 H new ATOM 0 HG2 LYS A 852 10.503 19.127 28.835 1.00 36.71 H new ATOM 0 HG3 LYS A 852 10.396 17.928 27.843 1.00 36.71 H new ATOM 0 HD2 LYS A 852 8.141 17.644 28.323 1.00 41.87 H new ATOM 0 HD3 LYS A 852 8.216 18.660 29.504 1.00 41.87 H new ATOM 0 HE2 LYS A 852 8.566 20.444 28.039 1.00 43.33 H new ATOM 0 HE3 LYS A 852 8.741 19.475 26.830 1.00 43.33 H new ATOM 0 HZ1 LYS A 852 6.751 20.197 26.477 1.00 39.89 H new ATOM 0 HZ2 LYS A 852 6.390 19.029 27.262 1.00 39.89 H new ATOM 0 HZ3 LYS A 852 6.412 20.343 27.882 1.00 39.89 H new ATOM 1308 N PHE A 853 13.366 17.796 28.167 1.00 21.77 N ATOM 1309 CA PHE A 853 14.224 17.481 26.997 1.00 23.82 C ATOM 1310 C PHE A 853 15.359 16.495 27.371 1.00 20.20 C ATOM 1311 O PHE A 853 15.892 15.797 26.490 1.00 20.27 O ATOM 1312 CB PHE A 853 14.781 18.752 26.395 1.00 22.50 C ATOM 1313 CG PHE A 853 15.428 18.587 25.041 1.00 21.62 C ATOM 1314 CD1 PHE A 853 14.730 18.093 23.971 1.00 25.31 C ATOM 1315 CD2 PHE A 853 16.720 19.009 24.835 1.00 23.14 C ATOM 1316 CE1 PHE A 853 15.340 17.957 22.726 1.00 24.65 C ATOM 1317 CE2 PHE A 853 17.344 18.886 23.604 1.00 24.35 C ATOM 1318 CZ PHE A 853 16.647 18.384 22.541 1.00 25.03 C ATOM 0 H PHE A 853 13.315 18.635 28.350 1.00 21.77 H new ATOM 0 HA PHE A 853 13.672 17.042 26.331 1.00 23.82 H new ATOM 0 HB2 PHE A 853 14.063 19.399 26.318 1.00 22.50 H new ATOM 0 HB3 PHE A 853 15.434 19.125 27.007 1.00 22.50 H new ATOM 0 HD1 PHE A 853 13.840 17.846 24.077 1.00 25.31 H new ATOM 0 HD2 PHE A 853 17.189 19.388 25.543 1.00 23.14 H new ATOM 0 HE1 PHE A 853 14.870 17.579 22.018 1.00 24.65 H new ATOM 0 HE2 PHE A 853 18.232 19.143 23.502 1.00 24.35 H new ATOM 0 HZ PHE A 853 17.045 18.329 21.702 1.00 25.03 H new ATOM 1319 N THR A 854 15.734 16.435 28.625 1.00 20.69 N ATOM 1320 CA ATHR A 854 16.676 15.416 29.141 0.37 22.21 C ATOM 1321 CA BTHR A 854 16.687 15.395 29.065 0.63 22.53 C ATOM 1322 C THR A 854 16.270 14.003 28.668 1.00 23.74 C ATOM 1323 O THR A 854 17.119 13.137 28.447 1.00 23.67 O ATOM 1324 CB ATHR A 854 16.779 15.492 30.707 0.37 23.40 C ATOM 1325 CB BTHR A 854 16.876 15.327 30.586 0.63 24.68 C ATOM 1326 OG1ATHR A 854 17.930 14.784 31.201 0.37 22.37 O ATOM 1327 OG1BTHR A 854 15.629 14.999 31.244 0.63 27.96 O ATOM 1328 CG2ATHR A 854 15.531 14.880 31.393 0.37 23.54 C ATOM 1329 CG2BTHR A 854 17.461 16.554 31.102 0.63 21.71 C ATOM 0 H ATHR A 854 15.456 16.984 29.226 0.37 20.69 H new ATOM 0 H BTHR A 854 15.465 16.969 29.243 0.63 20.69 H new ATOM 0 HA ATHR A 854 17.556 15.604 28.780 0.37 22.53 H new ATOM 0 HA BTHR A 854 17.507 15.667 28.623 0.63 22.53 H new ATOM 0 HB ATHR A 854 16.850 16.436 30.920 0.37 24.68 H new ATOM 0 HB BTHR A 854 17.504 14.614 30.782 0.63 24.68 H new ATOM 0 HG1ATHR A 854 17.958 14.844 32.038 0.37 27.96 H new ATOM 0 HG1BTHR A 854 15.149 15.687 31.294 0.63 27.96 H new ATOM 0 HG21ATHR A 854 15.627 14.943 32.356 0.37 21.71 H new ATOM 0 HG21BTHR A 854 17.568 16.482 32.063 0.63 21.71 H new ATOM 0 HG22ATHR A 854 14.738 15.365 31.115 0.37 21.71 H new ATOM 0 HG22BTHR A 854 18.327 16.698 30.690 0.63 21.71 H new ATOM 0 HG23ATHR A 854 15.445 13.948 31.138 0.37 21.71 H new ATOM 0 HG23BTHR A 854 16.878 17.302 30.897 0.63 21.71 H new ATOM 1330 N ARG A 855 14.977 13.744 28.557 1.00 22.66 N ATOM 1331 CA ARG A 855 14.522 12.424 28.219 1.00 26.84 C ATOM 1332 C ARG A 855 14.979 11.924 26.826 1.00 23.16 C ATOM 1333 O ARG A 855 15.119 10.693 26.596 1.00 21.89 O ATOM 1334 CB ARG A 855 12.999 12.361 28.386 1.00 33.39 C ATOM 1335 CG ARG A 855 12.319 11.060 27.965 1.00 43.68 C ATOM 1336 CD ARG A 855 10.901 10.958 28.556 1.00 54.33 C ATOM 1337 NE ARG A 855 10.165 9.748 28.124 1.00 58.12 N ATOM 1338 CZ ARG A 855 9.253 9.685 27.138 1.00 65.71 C ATOM 1339 NH1 ARG A 855 8.916 10.756 26.413 1.00 61.10 N ATOM 1340 NH2 ARG A 855 8.663 8.518 26.859 1.00 66.61 N ATOM 0 H ARG A 855 14.352 14.323 28.675 1.00 22.66 H new ATOM 0 HA ARG A 855 14.946 11.807 28.836 1.00 26.84 H new ATOM 0 HB2 ARG A 855 12.789 12.525 29.319 1.00 33.39 H new ATOM 0 HB3 ARG A 855 12.608 13.087 27.875 1.00 33.39 H new ATOM 0 HG2 ARG A 855 12.273 11.014 26.997 1.00 43.68 H new ATOM 0 HG3 ARG A 855 12.850 10.304 28.260 1.00 43.68 H new ATOM 0 HD2 ARG A 855 10.961 10.963 29.524 1.00 54.33 H new ATOM 0 HD3 ARG A 855 10.394 11.744 28.300 1.00 54.33 H new ATOM 0 HE ARG A 855 10.337 9.017 28.543 1.00 58.12 H new ATOM 0 HH11 ARG A 855 9.286 11.516 26.571 1.00 61.10 H new ATOM 0 HH12 ARG A 855 8.329 10.685 25.788 1.00 61.10 H new ATOM 0 HH21 ARG A 855 8.868 7.814 27.309 1.00 66.61 H new ATOM 0 HH22 ARG A 855 8.079 8.471 26.230 1.00 66.61 H new ATOM 1341 N LEU A 856 15.242 12.847 25.923 1.00 21.45 N ATOM 1342 CA LEU A 856 15.735 12.437 24.612 1.00 22.37 C ATOM 1343 C LEU A 856 17.085 11.718 24.758 1.00 19.62 C ATOM 1344 O LEU A 856 17.342 10.815 24.015 1.00 20.48 O ATOM 1345 CB LEU A 856 15.881 13.600 23.626 1.00 24.65 C ATOM 1346 CG LEU A 856 14.665 14.048 22.780 1.00 27.46 C ATOM 1347 CD1 LEU A 856 14.122 13.041 21.752 1.00 32.95 C ATOM 1348 CD2 LEU A 856 13.519 14.371 23.685 1.00 31.29 C ATOM 0 H LEU A 856 15.148 13.694 26.037 1.00 21.45 H new ATOM 0 HA LEU A 856 15.067 11.836 24.245 1.00 22.37 H new ATOM 0 HB2 LEU A 856 16.182 14.371 24.131 1.00 24.65 H new ATOM 0 HB3 LEU A 856 16.593 13.369 23.009 1.00 24.65 H new ATOM 0 HG LEU A 856 15.011 14.803 22.279 1.00 27.46 H new ATOM 0 HD11 LEU A 856 13.366 13.430 21.286 1.00 32.95 H new ATOM 0 HD12 LEU A 856 14.818 12.823 21.113 1.00 32.95 H new ATOM 0 HD13 LEU A 856 13.839 12.233 22.208 1.00 32.95 H new ATOM 0 HD21 LEU A 856 12.757 14.652 23.155 1.00 31.29 H new ATOM 0 HD22 LEU A 856 13.282 13.584 24.200 1.00 31.29 H new ATOM 0 HD23 LEU A 856 13.774 15.087 24.288 1.00 31.29 H new ATOM 1349 N GLY A 857 17.938 12.167 25.654 1.00 21.45 N ATOM 1350 CA GLY A 857 19.212 11.543 25.924 1.00 20.16 C ATOM 1351 C GLY A 857 19.018 10.138 26.469 1.00 21.02 C ATOM 1352 O GLY A 857 19.736 9.199 26.112 1.00 20.71 O ATOM 0 H GLY A 857 17.788 12.863 26.136 1.00 21.45 H new ATOM 0 HA2 GLY A 857 19.740 11.509 25.111 1.00 20.16 H new ATOM 0 HA3 GLY A 857 19.710 12.077 26.563 1.00 20.16 H new ATOM 1353 N ILE A 858 18.083 9.997 27.402 1.00 22.33 N ATOM 1354 CA ILE A 858 17.729 8.666 27.953 1.00 22.30 C ATOM 1355 C ILE A 858 17.229 7.691 26.877 1.00 22.28 C ATOM 1356 O ILE A 858 17.688 6.522 26.770 1.00 21.47 O ATOM 1357 CB ILE A 858 16.693 8.785 29.096 1.00 25.17 C ATOM 1358 CG1 ILE A 858 17.393 9.454 30.273 1.00 30.92 C ATOM 1359 CG2 ILE A 858 16.170 7.383 29.457 1.00 26.66 C ATOM 1360 CD1 ILE A 858 16.414 10.026 31.288 1.00 33.78 C ATOM 0 H ILE A 858 17.636 10.651 27.737 1.00 22.33 H new ATOM 0 HA ILE A 858 18.550 8.298 28.315 1.00 22.30 H new ATOM 0 HB ILE A 858 15.926 9.318 28.835 1.00 25.17 H new ATOM 0 HG12 ILE A 858 17.968 8.808 30.712 1.00 30.92 H new ATOM 0 HG13 ILE A 858 17.964 10.165 29.943 1.00 30.92 H new ATOM 0 HG21 ILE A 858 15.520 7.454 30.174 1.00 26.66 H new ATOM 0 HG22 ILE A 858 15.750 6.984 28.679 1.00 26.66 H new ATOM 0 HG23 ILE A 858 16.910 6.826 29.746 1.00 26.66 H new ATOM 0 HD11 ILE A 858 16.906 10.439 32.015 1.00 33.78 H new ATOM 0 HD12 ILE A 858 15.854 10.691 30.858 1.00 33.78 H new ATOM 0 HD13 ILE A 858 15.858 9.313 31.639 1.00 33.78 H new ATOM 1361 N GLN A 859 16.388 8.191 25.999 1.00 20.02 N ATOM 1362 CA GLN A 859 15.848 7.392 24.919 1.00 22.03 C ATOM 1363 C GLN A 859 16.847 6.918 23.888 1.00 21.20 C ATOM 1364 O GLN A 859 16.902 5.715 23.534 1.00 20.72 O ATOM 1365 CB GLN A 859 14.736 8.140 24.213 1.00 24.79 C ATOM 1366 CG GLN A 859 13.533 8.309 25.120 1.00 29.25 C ATOM 1367 CD GLN A 859 12.483 9.186 24.510 1.00 33.95 C ATOM 1368 OE1 GLN A 859 12.771 10.198 23.823 1.00 32.57 O ATOM 1369 NE2 GLN A 859 11.251 8.758 24.675 1.00 39.34 N ATOM 0 H GLN A 859 16.112 9.005 26.010 1.00 20.02 H new ATOM 0 HA GLN A 859 15.520 6.592 25.359 1.00 22.03 H new ATOM 0 HB2 GLN A 859 15.056 9.011 23.930 1.00 24.79 H new ATOM 0 HB3 GLN A 859 14.476 7.659 23.412 1.00 24.79 H new ATOM 0 HG2 GLN A 859 13.152 7.438 25.315 1.00 29.25 H new ATOM 0 HG3 GLN A 859 13.818 8.689 25.966 1.00 29.25 H new ATOM 0 HE21 GLN A 859 11.099 8.060 25.154 1.00 39.34 H new ATOM 0 HE22 GLN A 859 10.597 9.176 24.304 1.00 39.34 H new ATOM 1370 N VAL A 860 17.723 7.812 23.464 1.00 19.27 N ATOM 1371 CA VAL A 860 18.707 7.429 22.470 1.00 19.27 C ATOM 1372 C VAL A 860 19.801 6.566 23.120 1.00 19.04 C ATOM 1373 O VAL A 860 20.236 5.630 22.514 1.00 18.66 O ATOM 1374 CB VAL A 860 19.280 8.601 21.735 1.00 21.26 C ATOM 1375 CG1 VAL A 860 20.195 8.096 20.626 1.00 19.10 C ATOM 1376 CG2 VAL A 860 18.159 9.412 21.087 1.00 19.91 C ATOM 0 H VAL A 860 17.766 8.628 23.732 1.00 19.27 H new ATOM 0 HA VAL A 860 18.253 6.899 21.796 1.00 19.27 H new ATOM 0 HB VAL A 860 19.770 9.155 22.363 1.00 21.26 H new ATOM 0 HG11 VAL A 860 20.569 8.851 20.146 1.00 19.10 H new ATOM 0 HG12 VAL A 860 20.913 7.571 21.013 1.00 19.10 H new ATOM 0 HG13 VAL A 860 19.686 7.544 20.012 1.00 19.10 H new ATOM 0 HG21 VAL A 860 18.539 10.169 20.613 1.00 19.91 H new ATOM 0 HG22 VAL A 860 17.673 8.851 20.462 1.00 19.91 H new ATOM 0 HG23 VAL A 860 17.553 9.732 21.773 1.00 19.91 H new ATOM 1377 N GLN A 861 20.154 6.828 24.364 1.00 18.64 N ATOM 1378 CA GLN A 861 21.124 5.990 25.049 1.00 21.70 C ATOM 1379 C GLN A 861 20.589 4.554 25.199 1.00 21.88 C ATOM 1380 O GLN A 861 21.361 3.612 25.095 1.00 18.84 O ATOM 1381 CB GLN A 861 21.527 6.568 26.435 1.00 23.70 C ATOM 1382 CG GLN A 861 22.517 5.589 27.105 1.00 29.99 C ATOM 1383 CD GLN A 861 23.468 6.167 28.102 1.00 38.67 C ATOM 1384 OE1 GLN A 861 23.165 7.145 28.732 1.00 37.26 O ATOM 1385 NE2 GLN A 861 24.632 5.492 28.298 1.00 39.95 N ATOM 0 H GLN A 861 19.847 7.482 24.830 1.00 18.64 H new ATOM 0 HA GLN A 861 21.924 5.973 24.501 1.00 21.70 H new ATOM 0 HB2 GLN A 861 21.936 7.441 26.330 1.00 23.70 H new ATOM 0 HB3 GLN A 861 20.742 6.687 26.992 1.00 23.70 H new ATOM 0 HG2 GLN A 861 22.003 4.894 27.545 1.00 29.99 H new ATOM 0 HG3 GLN A 861 23.036 5.159 26.407 1.00 29.99 H new ATOM 0 HE21 GLN A 861 24.810 4.796 27.825 1.00 39.95 H new ATOM 0 HE22 GLN A 861 25.190 5.761 28.895 1.00 39.95 H new ATOM 1386 N ASP A 862 19.316 4.390 25.494 1.00 21.40 N ATOM 1387 CA AASP A 862 18.710 3.036 25.527 0.49 23.33 C ATOM 1388 CA BASP A 862 18.730 3.047 25.551 0.51 23.64 C ATOM 1389 C ASP A 862 18.853 2.267 24.213 1.00 24.00 C ATOM 1390 O ASP A 862 19.103 1.063 24.227 1.00 21.11 O ATOM 1391 CB AASP A 862 17.248 3.065 25.891 0.49 23.80 C ATOM 1392 CB BASP A 862 17.297 3.123 26.041 0.51 23.72 C ATOM 1393 CG AASP A 862 17.017 3.412 27.311 0.49 28.94 C ATOM 1394 CG BASP A 862 16.744 1.788 26.462 0.51 30.71 C ATOM 1395 OD1AASP A 862 18.007 3.449 28.084 0.49 29.08 O ATOM 1396 OD1BASP A 862 17.444 1.047 27.183 0.51 32.57 O ATOM 1397 OD2AASP A 862 15.828 3.651 27.674 0.49 35.82 O ATOM 1398 OD2BASP A 862 15.580 1.497 26.121 0.51 31.22 O ATOM 0 H AASP A 862 18.774 5.032 25.679 0.49 21.40 H new ATOM 0 H BASP A 862 18.769 5.031 25.665 0.51 21.40 H new ATOM 0 HA AASP A 862 19.214 2.575 26.216 0.49 23.64 H new ATOM 0 HA BASP A 862 19.247 2.533 26.191 0.51 23.64 H new ATOM 0 HB2AASP A 862 16.791 3.708 25.327 0.49 23.72 H new ATOM 0 HB2BASP A 862 17.249 3.737 26.790 0.51 23.72 H new ATOM 0 HB3AASP A 862 16.856 2.197 25.707 0.49 23.72 H new ATOM 0 HB3BASP A 862 16.740 3.490 25.337 0.51 23.72 H new ATOM 1399 N ILE A 863 18.705 2.948 23.067 1.00 21.16 N ATOM 1400 CA ILE A 863 18.927 2.355 21.781 1.00 20.26 C ATOM 1401 C ILE A 863 20.358 1.976 21.591 1.00 18.66 C ATOM 1402 O ILE A 863 20.653 0.822 21.156 1.00 18.34 O ATOM 1403 CB ILE A 863 18.571 3.378 20.596 1.00 24.75 C ATOM 1404 CG1 ILE A 863 17.102 3.753 20.620 1.00 28.23 C ATOM 1405 CG2 ILE A 863 18.948 2.833 19.246 1.00 25.51 C ATOM 1406 CD1 ILE A 863 16.160 2.604 20.504 1.00 35.70 C ATOM 0 H ILE A 863 18.470 3.775 23.034 1.00 21.16 H new ATOM 0 HA ILE A 863 18.355 1.572 21.750 1.00 20.26 H new ATOM 0 HB ILE A 863 19.099 4.178 20.749 1.00 24.75 H new ATOM 0 HG12 ILE A 863 16.916 4.225 21.446 1.00 28.23 H new ATOM 0 HG13 ILE A 863 16.928 4.372 19.894 1.00 28.23 H new ATOM 0 HG21 ILE A 863 18.717 3.479 18.560 1.00 25.51 H new ATOM 0 HG22 ILE A 863 19.903 2.662 19.221 1.00 25.51 H new ATOM 0 HG23 ILE A 863 18.468 2.006 19.085 1.00 25.51 H new ATOM 0 HD11 ILE A 863 15.247 2.930 20.528 1.00 35.70 H new ATOM 0 HD12 ILE A 863 16.316 2.141 19.666 1.00 35.70 H new ATOM 0 HD13 ILE A 863 16.303 1.992 21.243 1.00 35.70 H new ATOM 1407 N PHE A 864 21.283 2.862 21.948 1.00 17.26 N ATOM 1408 CA PHE A 864 22.695 2.506 21.921 1.00 17.19 C ATOM 1409 C PHE A 864 22.973 1.238 22.786 1.00 17.84 C ATOM 1410 O PHE A 864 23.631 0.356 22.310 1.00 17.63 O ATOM 1411 CB PHE A 864 23.562 3.650 22.468 1.00 18.39 C ATOM 1412 CG PHE A 864 24.992 3.334 22.606 1.00 16.20 C ATOM 1413 CD1 PHE A 864 25.779 3.141 21.507 1.00 17.93 C ATOM 1414 CD2 PHE A 864 25.541 3.135 23.870 1.00 18.61 C ATOM 1415 CE1 PHE A 864 27.105 2.840 21.637 1.00 18.18 C ATOM 1416 CE2 PHE A 864 26.888 2.783 24.016 1.00 19.65 C ATOM 1417 CZ PHE A 864 27.675 2.633 22.893 1.00 18.36 C ATOM 0 H PHE A 864 21.116 3.665 22.206 1.00 17.26 H new ATOM 0 HA PHE A 864 22.921 2.330 20.994 1.00 17.19 H new ATOM 0 HB2 PHE A 864 23.469 4.417 21.882 1.00 18.39 H new ATOM 0 HB3 PHE A 864 23.217 3.913 23.336 1.00 18.39 H new ATOM 0 HD1 PHE A 864 25.407 3.216 20.658 1.00 17.93 H new ATOM 0 HD2 PHE A 864 25.007 3.237 24.625 1.00 18.61 H new ATOM 0 HE1 PHE A 864 27.636 2.772 20.876 1.00 18.18 H new ATOM 0 HE2 PHE A 864 27.249 2.651 24.863 1.00 19.65 H new ATOM 0 HZ PHE A 864 28.571 2.398 22.972 1.00 18.36 H new ATOM 1418 N GLU A 865 22.562 1.242 24.048 1.00 18.76 N ATOM 1419 CA GLU A 865 22.903 0.186 24.966 1.00 21.85 C ATOM 1420 C GLU A 865 22.319 -1.200 24.612 1.00 18.28 C ATOM 1421 O GLU A 865 23.000 -2.235 24.660 1.00 17.58 O ATOM 1422 CB GLU A 865 22.502 0.587 26.367 1.00 22.87 C ATOM 1423 CG GLU A 865 23.290 1.747 26.969 1.00 25.51 C ATOM 1424 CD GLU A 865 24.790 1.577 27.108 1.00 29.32 C ATOM 1425 OE1 GLU A 865 25.342 0.440 27.158 1.00 30.16 O ATOM 1426 OE2 GLU A 865 25.483 2.623 27.345 1.00 28.18 O ATOM 0 H GLU A 865 22.076 1.863 24.390 1.00 18.76 H new ATOM 0 HA GLU A 865 23.864 0.075 24.900 1.00 21.85 H new ATOM 0 HB2 GLU A 865 21.561 0.823 26.362 1.00 22.87 H new ATOM 0 HB3 GLU A 865 22.598 -0.184 26.947 1.00 22.87 H new ATOM 0 HG2 GLU A 865 23.127 2.534 26.425 1.00 25.51 H new ATOM 0 HG3 GLU A 865 22.927 1.931 27.849 1.00 25.51 H new ATOM 1427 N LYS A 866 21.107 -1.198 24.140 1.00 19.61 N ATOM 1428 CA LYS A 866 20.481 -2.441 23.623 1.00 20.19 C ATOM 1429 C LYS A 866 21.193 -2.997 22.435 1.00 21.08 C ATOM 1430 O LYS A 866 21.424 -4.204 22.349 1.00 18.54 O ATOM 1431 CB LYS A 866 19.045 -2.225 23.195 1.00 23.85 C ATOM 1432 CG LYS A 866 18.042 -2.150 24.333 1.00 33.20 C ATOM 1433 CD LYS A 866 16.620 -1.977 23.759 1.00 37.08 C ATOM 1434 CE LYS A 866 15.618 -1.453 24.796 1.00 45.90 C ATOM 1435 NZ LYS A 866 14.959 -2.570 25.515 1.00 51.27 N ATOM 0 H LYS A 866 20.606 -0.500 24.098 1.00 19.61 H new ATOM 0 HA LYS A 866 20.532 -3.060 24.368 1.00 20.19 H new ATOM 0 HB2 LYS A 866 18.994 -1.403 22.682 1.00 23.85 H new ATOM 0 HB3 LYS A 866 18.786 -2.947 22.601 1.00 23.85 H new ATOM 0 HG2 LYS A 866 18.088 -2.956 24.870 1.00 33.20 H new ATOM 0 HG3 LYS A 866 18.257 -1.407 24.918 1.00 33.20 H new ATOM 0 HD2 LYS A 866 16.652 -1.364 23.008 1.00 37.08 H new ATOM 0 HD3 LYS A 866 16.308 -2.829 23.417 1.00 37.08 H new ATOM 0 HE2 LYS A 866 16.076 -0.881 25.432 1.00 45.90 H new ATOM 0 HE3 LYS A 866 14.947 -0.908 24.355 1.00 45.90 H new ATOM 0 HZ1 LYS A 866 14.384 -2.242 26.110 1.00 51.27 H new ATOM 0 HZ2 LYS A 866 14.523 -3.082 24.932 1.00 51.27 H new ATOM 0 HZ3 LYS A 866 15.574 -3.057 25.935 1.00 51.27 H new ATOM 1436 N ASN A 867 21.510 -2.131 21.474 1.00 19.04 N ATOM 1437 CA ASN A 867 22.300 -2.558 20.311 1.00 20.27 C ATOM 1438 C ASN A 867 23.729 -2.991 20.660 1.00 18.03 C ATOM 1439 O ASN A 867 24.212 -3.942 20.058 1.00 18.30 O ATOM 1440 CB ASN A 867 22.279 -1.515 19.203 1.00 19.51 C ATOM 1441 CG ASN A 867 20.963 -1.551 18.413 1.00 21.35 C ATOM 1442 OD1 ASN A 867 20.774 -2.413 17.576 1.00 24.99 O ATOM 1443 ND2 ASN A 867 20.037 -0.657 18.727 1.00 21.39 N ATOM 0 H ASN A 867 21.283 -1.302 21.472 1.00 19.04 H new ATOM 0 HA ASN A 867 21.862 -3.356 19.976 1.00 20.27 H new ATOM 0 HB2 ASN A 867 22.402 -0.633 19.587 1.00 19.51 H new ATOM 0 HB3 ASN A 867 23.023 -1.668 18.600 1.00 19.51 H new ATOM 0 HD21 ASN A 867 19.272 -0.674 18.334 1.00 21.39 H new ATOM 0 HD22 ASN A 867 20.201 -0.059 19.323 1.00 21.39 H new ATOM 1444 N PHE A 868 24.359 -2.317 21.649 1.00 17.03 N ATOM 1445 CA PHE A 868 25.676 -2.724 22.098 1.00 17.65 C ATOM 1446 C PHE A 868 25.634 -4.156 22.647 1.00 16.68 C ATOM 1447 O PHE A 868 26.471 -4.987 22.271 1.00 16.90 O ATOM 1448 CB PHE A 868 26.186 -1.754 23.153 1.00 16.90 C ATOM 1449 CG PHE A 868 27.493 -2.174 23.783 1.00 19.85 C ATOM 1450 CD1 PHE A 868 28.668 -2.167 23.069 1.00 18.90 C ATOM 1451 CD2 PHE A 868 27.505 -2.645 25.087 1.00 25.01 C ATOM 1452 CE1 PHE A 868 29.905 -2.544 23.662 1.00 20.89 C ATOM 1453 CE2 PHE A 868 28.680 -3.067 25.684 1.00 25.35 C ATOM 1454 CZ PHE A 868 29.901 -2.990 24.970 1.00 23.65 C ATOM 0 H PHE A 868 24.033 -1.634 22.057 1.00 17.03 H new ATOM 0 HA PHE A 868 26.286 -2.709 21.344 1.00 17.65 H new ATOM 0 HB2 PHE A 868 26.297 -0.879 22.750 1.00 16.90 H new ATOM 0 HB3 PHE A 868 25.516 -1.663 23.848 1.00 16.90 H new ATOM 0 HD1 PHE A 868 28.654 -1.909 22.176 1.00 18.90 H new ATOM 0 HD2 PHE A 868 26.710 -2.678 25.569 1.00 25.01 H new ATOM 0 HE1 PHE A 868 30.699 -2.491 23.180 1.00 20.89 H new ATOM 0 HE2 PHE A 868 28.668 -3.400 26.552 1.00 25.35 H new ATOM 0 HZ PHE A 868 30.698 -3.239 25.380 1.00 23.65 H new ATOM 1455 N ARG A 869 24.689 -4.433 23.524 1.00 17.15 N ATOM 1456 CA ARG A 869 24.536 -5.772 24.125 1.00 19.78 C ATOM 1457 C ARG A 869 24.273 -6.879 23.069 1.00 22.18 C ATOM 1458 O ARG A 869 24.866 -7.943 23.140 1.00 23.38 O ATOM 1459 CB ARG A 869 23.456 -5.787 25.148 1.00 19.95 C ATOM 1460 CG ARG A 869 23.880 -4.993 26.371 1.00 20.63 C ATOM 1461 CD ARG A 869 22.921 -5.162 27.548 1.00 22.01 C ATOM 1462 NE ARG A 869 21.549 -4.852 27.270 1.00 24.23 N ATOM 1463 CZ ARG A 869 20.983 -3.662 27.511 1.00 28.73 C ATOM 1464 NH1 ARG A 869 21.681 -2.610 27.939 1.00 29.11 N ATOM 1465 NH2 ARG A 869 19.725 -3.500 27.219 1.00 32.39 N ATOM 0 H ARG A 869 24.110 -3.858 23.797 1.00 17.15 H new ATOM 0 HA ARG A 869 25.384 -5.969 24.553 1.00 19.78 H new ATOM 0 HB2 ARG A 869 22.643 -5.410 24.775 1.00 19.95 H new ATOM 0 HB3 ARG A 869 23.255 -6.701 25.402 1.00 19.95 H new ATOM 0 HG2 ARG A 869 24.769 -5.272 26.641 1.00 20.63 H new ATOM 0 HG3 ARG A 869 23.937 -4.053 26.138 1.00 20.63 H new ATOM 0 HD2 ARG A 869 22.973 -6.079 27.860 1.00 22.01 H new ATOM 0 HD3 ARG A 869 23.224 -4.597 28.276 1.00 22.01 H new ATOM 0 HE ARG A 869 21.058 -5.469 26.927 1.00 24.23 H new ATOM 0 HH11 ARG A 869 22.528 -2.681 28.071 1.00 29.11 H new ATOM 0 HH12 ARG A 869 21.284 -1.861 28.083 1.00 29.11 H new ATOM 0 HH21 ARG A 869 19.275 -4.149 26.879 1.00 32.39 H new ATOM 0 HH22 ARG A 869 19.343 -2.744 27.366 1.00 32.39 H new ATOM 1466 N ASN A 870 23.467 -6.560 22.051 1.00 20.74 N ATOM 1467 CA ASN A 870 23.219 -7.470 20.944 1.00 23.92 C ATOM 1468 C ASN A 870 24.456 -7.713 20.061 1.00 23.94 C ATOM 1469 O ASN A 870 24.856 -8.875 19.809 1.00 21.40 O ATOM 1470 CB ASN A 870 22.029 -6.961 20.110 1.00 24.33 C ATOM 1471 CG ASN A 870 21.714 -7.887 18.935 1.00 33.77 C ATOM 1472 OD1 ASN A 870 21.973 -7.571 17.807 1.00 39.70 O ATOM 1473 ND2 ASN A 870 21.237 -9.061 19.233 1.00 36.02 N ATOM 0 H ASN A 870 23.052 -5.809 21.989 1.00 20.74 H new ATOM 0 HA ASN A 870 23.001 -8.334 21.327 1.00 23.92 H new ATOM 0 HB2 ASN A 870 21.247 -6.884 20.678 1.00 24.33 H new ATOM 0 HB3 ASN A 870 22.226 -6.072 19.776 1.00 24.33 H new ATOM 0 HD21 ASN A 870 21.098 -9.639 18.612 1.00 36.02 H new ATOM 0 HD22 ASN A 870 21.061 -9.259 20.051 1.00 36.02 H new ATOM 1474 N ILE A 871 25.061 -6.640 19.564 1.00 20.77 N ATOM 1475 CA ILE A 871 26.123 -6.756 18.555 1.00 21.61 C ATOM 1476 C ILE A 871 27.375 -7.422 19.121 1.00 21.79 C ATOM 1477 O ILE A 871 28.091 -8.194 18.415 1.00 20.95 O ATOM 1478 CB ILE A 871 26.452 -5.348 17.979 1.00 21.91 C ATOM 1479 CG1 ILE A 871 25.231 -4.913 17.136 1.00 23.20 C ATOM 1480 CG2 ILE A 871 27.697 -5.359 17.144 1.00 20.49 C ATOM 1481 CD1 ILE A 871 25.156 -3.395 16.826 1.00 25.43 C ATOM 0 H ILE A 871 24.875 -5.833 19.794 1.00 20.77 H new ATOM 0 HA ILE A 871 25.802 -7.326 17.839 1.00 21.61 H new ATOM 0 HB ILE A 871 26.621 -4.725 18.703 1.00 21.91 H new ATOM 0 HG12 ILE A 871 25.244 -5.400 16.297 1.00 23.20 H new ATOM 0 HG13 ILE A 871 24.422 -5.174 17.604 1.00 23.20 H new ATOM 0 HG21 ILE A 871 27.867 -4.466 16.805 1.00 20.49 H new ATOM 0 HG22 ILE A 871 28.448 -5.647 17.686 1.00 20.49 H new ATOM 0 HG23 ILE A 871 27.583 -5.971 16.400 1.00 20.49 H new ATOM 0 HD11 ILE A 871 24.364 -3.211 16.296 1.00 25.43 H new ATOM 0 HD12 ILE A 871 25.111 -2.897 17.657 1.00 25.43 H new ATOM 0 HD13 ILE A 871 25.945 -3.126 16.330 1.00 25.43 H new ATOM 1482 N PHE A 872 27.689 -7.092 20.368 1.00 20.97 N ATOM 1483 CA PHE A 872 28.860 -7.635 20.993 1.00 21.47 C ATOM 1484 C PHE A 872 28.532 -8.828 21.905 1.00 21.45 C ATOM 1485 O PHE A 872 29.387 -9.245 22.643 1.00 23.49 O ATOM 1486 CB PHE A 872 29.607 -6.556 21.741 1.00 20.21 C ATOM 1487 CG PHE A 872 30.280 -5.591 20.865 1.00 19.88 C ATOM 1488 CD1 PHE A 872 31.544 -5.847 20.430 1.00 22.82 C ATOM 1489 CD2 PHE A 872 29.668 -4.412 20.507 1.00 20.25 C ATOM 1490 CE1 PHE A 872 32.208 -4.951 19.622 1.00 25.04 C ATOM 1491 CE2 PHE A 872 30.319 -3.494 19.693 1.00 23.43 C ATOM 1492 CZ PHE A 872 31.596 -3.741 19.265 1.00 22.52 C ATOM 0 H PHE A 872 27.231 -6.555 20.860 1.00 20.97 H new ATOM 0 HA PHE A 872 29.436 -7.976 20.291 1.00 21.47 H new ATOM 0 HB2 PHE A 872 28.985 -6.081 22.315 1.00 20.21 H new ATOM 0 HB3 PHE A 872 30.266 -6.971 22.319 1.00 20.21 H new ATOM 0 HD1 PHE A 872 31.965 -6.637 20.682 1.00 22.82 H new ATOM 0 HD2 PHE A 872 28.809 -4.228 20.813 1.00 20.25 H new ATOM 0 HE1 PHE A 872 33.063 -5.149 19.313 1.00 25.04 H new ATOM 0 HE2 PHE A 872 29.887 -2.711 19.438 1.00 23.43 H new ATOM 0 HZ PHE A 872 32.050 -3.117 18.746 1.00 22.52 H new ATOM 1493 N ALA A 873 27.307 -9.334 21.843 1.00 21.44 N ATOM 1494 CA ALA A 873 26.901 -10.575 22.514 1.00 20.91 C ATOM 1495 C ALA A 873 27.278 -10.516 24.039 1.00 22.92 C ATOM 1496 O ALA A 873 27.936 -11.424 24.582 1.00 23.58 O ATOM 1497 CB ALA A 873 27.616 -11.729 21.808 1.00 23.48 C ATOM 0 H ALA A 873 26.670 -8.961 21.401 1.00 21.44 H new ATOM 0 HA ALA A 873 25.940 -10.701 22.464 1.00 20.91 H new ATOM 0 HB1 ALA A 873 27.369 -12.568 22.228 1.00 23.48 H new ATOM 0 HB2 ALA A 873 27.357 -11.747 20.873 1.00 23.48 H new ATOM 0 HB3 ALA A 873 28.576 -11.605 21.875 1.00 23.48 H new ATOM 1498 N ILE A 874 26.821 -9.477 24.728 1.00 20.70 N ATOM 1499 CA ILE A 874 27.127 -9.288 26.126 1.00 20.66 C ATOM 1500 C ILE A 874 26.243 -10.298 26.855 1.00 23.51 C ATOM 1501 O ILE A 874 25.105 -10.498 26.475 1.00 24.00 O ATOM 1502 CB ILE A 874 26.780 -7.899 26.635 1.00 22.16 C ATOM 1503 CG1 ILE A 874 27.633 -6.858 25.936 1.00 25.53 C ATOM 1504 CG2 ILE A 874 26.873 -7.834 28.142 1.00 25.63 C ATOM 1505 CD1 ILE A 874 29.113 -7.062 26.039 1.00 28.53 C ATOM 0 H ILE A 874 26.323 -8.863 24.390 1.00 20.70 H new ATOM 0 HA ILE A 874 28.079 -9.402 26.272 1.00 20.66 H new ATOM 0 HB ILE A 874 25.856 -7.699 26.417 1.00 22.16 H new ATOM 0 HG12 ILE A 874 27.389 -6.840 24.997 1.00 25.53 H new ATOM 0 HG13 ILE A 874 27.416 -5.986 26.302 1.00 25.53 H new ATOM 0 HG21 ILE A 874 26.648 -6.940 28.442 1.00 25.63 H new ATOM 0 HG22 ILE A 874 26.254 -8.471 28.532 1.00 25.63 H new ATOM 0 HG23 ILE A 874 27.777 -8.050 28.420 1.00 25.63 H new ATOM 0 HD11 ILE A 874 29.572 -6.351 25.564 1.00 28.53 H new ATOM 0 HD12 ILE A 874 29.377 -7.050 26.972 1.00 28.53 H new ATOM 0 HD13 ILE A 874 29.350 -7.917 25.647 1.00 28.53 H new ATOM 1506 N GLN A 875 26.798 -10.948 27.868 1.00 23.70 N ATOM 1507 CA GLN A 875 26.066 -11.996 28.647 1.00 26.03 C ATOM 1508 C GLN A 875 24.823 -11.395 29.259 1.00 26.31 C ATOM 1509 O GLN A 875 24.887 -10.401 29.904 1.00 23.80 O ATOM 1510 CB GLN A 875 26.961 -12.592 29.764 1.00 27.78 C ATOM 1511 CG GLN A 875 26.270 -13.558 30.776 1.00 29.14 C ATOM 1512 CD GLN A 875 25.684 -14.796 30.113 1.00 31.49 C ATOM 1513 OE1 GLN A 875 26.338 -15.457 29.313 1.00 28.88 O ATOM 1514 NE2 GLN A 875 24.449 -15.089 30.412 1.00 30.29 N ATOM 0 H GLN A 875 27.603 -10.810 28.137 1.00 23.70 H new ATOM 0 HA GLN A 875 25.822 -12.712 28.040 1.00 26.03 H new ATOM 0 HB2 GLN A 875 27.694 -13.068 29.343 1.00 27.78 H new ATOM 0 HB3 GLN A 875 27.350 -11.858 30.264 1.00 27.78 H new ATOM 0 HG2 GLN A 875 26.916 -13.831 31.446 1.00 29.14 H new ATOM 0 HG3 GLN A 875 25.564 -13.081 31.240 1.00 29.14 H new ATOM 0 HE21 GLN A 875 24.017 -14.606 30.977 1.00 30.29 H new ATOM 0 HE22 GLN A 875 24.066 -15.766 30.044 1.00 30.29 H new ATOM 1515 N GLU A 876 23.707 -12.023 29.029 1.00 26.41 N ATOM 1516 CA GLU A 876 22.453 -11.583 29.596 1.00 33.07 C ATOM 1517 C GLU A 876 22.458 -11.683 31.115 1.00 34.66 C ATOM 1518 O GLU A 876 22.965 -12.684 31.684 1.00 29.12 O ATOM 1519 CB GLU A 876 21.319 -12.406 28.991 1.00 37.79 C ATOM 1520 CG GLU A 876 20.986 -11.958 27.559 1.00 45.48 C ATOM 1521 CD GLU A 876 20.075 -10.694 27.499 1.00 52.29 C ATOM 1522 OE1 GLU A 876 18.990 -10.667 28.117 1.00 59.28 O ATOM 1523 OE2 GLU A 876 20.436 -9.710 26.831 1.00 55.96 O ATOM 0 H GLU A 876 23.645 -12.725 28.536 1.00 26.41 H new ATOM 0 HA GLU A 876 22.321 -10.646 29.381 1.00 33.07 H new ATOM 0 HB2 GLU A 876 21.567 -13.344 28.987 1.00 37.79 H new ATOM 0 HB3 GLU A 876 20.528 -12.324 29.547 1.00 37.79 H new ATOM 0 HG2 GLU A 876 21.812 -11.775 27.085 1.00 45.48 H new ATOM 0 HG3 GLU A 876 20.547 -12.687 27.094 1.00 45.48 H new ATOM 1524 N THR A 877 21.960 -10.634 31.777 1.00 38.28 N ATOM 1525 CA THR A 877 21.791 -10.647 33.267 1.00 49.07 C ATOM 1526 C THR A 877 20.420 -10.176 33.712 1.00 59.85 C ATOM 1527 O THR A 877 19.730 -9.474 32.970 1.00 66.71 O ATOM 1528 CB THR A 877 22.825 -9.748 33.998 1.00 48.57 C ATOM 1529 OG1 THR A 877 22.779 -8.431 33.460 1.00 55.22 O ATOM 1530 CG2 THR A 877 24.245 -10.287 33.835 1.00 52.19 C ATOM 0 H THR A 877 21.711 -9.903 31.399 1.00 38.28 H new ATOM 0 HA THR A 877 21.921 -11.578 33.505 1.00 49.07 H new ATOM 0 HB THR A 877 22.597 -9.742 34.941 1.00 48.57 H new ATOM 0 HG1 THR A 877 23.338 -7.946 33.858 1.00 55.22 H new ATOM 0 HG21 THR A 877 24.867 -9.707 34.301 1.00 52.19 H new ATOM 0 HG22 THR A 877 24.297 -11.181 34.208 1.00 52.19 H new ATOM 0 HG23 THR A 877 24.474 -10.316 32.893 1.00 52.19 H new ATOM 1531 N SER A 878 20.031 -10.568 34.931 1.00 77.02 N ATOM 1532 CA SER A 878 18.964 -9.863 35.692 1.00 79.04 C ATOM 1533 C SER A 878 19.549 -8.575 36.238 1.00 74.14 C ATOM 1534 O SER A 878 18.814 -7.623 36.461 1.00 93.27 O ATOM 1535 CB SER A 878 18.434 -10.708 36.861 1.00 80.00 C ATOM 1536 OG SER A 878 19.496 -11.373 37.537 1.00 77.82 O ATOM 0 H SER A 878 20.369 -11.242 35.344 1.00 77.02 H new ATOM 0 HA SER A 878 18.220 -9.692 35.094 1.00 79.04 H new ATOM 0 HB2 SER A 878 17.956 -10.139 37.484 1.00 80.00 H new ATOM 0 HB3 SER A 878 17.799 -11.362 36.529 1.00 80.00 H new ATOM 0 HG SER A 878 19.184 -11.827 38.171 1.00 77.82 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.593 40.857 40.565 1.00 64.18 N ATOM 1539 CA GLU B 700 -5.568 40.915 39.487 1.00 62.69 C ATOM 1540 C GLU B 700 -5.512 39.676 38.528 1.00 60.58 C ATOM 1541 O GLU B 700 -4.768 39.739 37.560 1.00 68.06 O ATOM 1542 CB GLU B 700 -4.187 41.199 40.098 1.00 56.30 C ATOM 0 HA GLU B 700 -5.846 41.644 38.910 1.00 62.69 H new ATOM 1543 N ASN B 701 -6.248 38.578 38.787 1.00 49.78 N ATOM 1544 CA ASN B 701 -6.409 37.478 37.785 1.00 49.98 C ATOM 1545 C ASN B 701 -7.856 37.157 37.390 1.00 50.67 C ATOM 1546 O ASN B 701 -8.739 37.221 38.235 1.00 50.82 O ATOM 1547 CB ASN B 701 -5.790 36.173 38.271 1.00 47.93 C ATOM 1548 CG ASN B 701 -4.272 36.216 38.281 1.00 53.83 C ATOM 1549 OD1 ASN B 701 -3.595 35.793 37.305 1.00 46.37 O ATOM 1550 ND2 ASN B 701 -3.720 36.675 39.394 1.00 49.66 N ATOM 0 H ASN B 701 -6.662 38.444 39.529 1.00 49.78 H new ATOM 0 HA ASN B 701 -5.951 37.830 37.006 1.00 49.98 H new ATOM 0 HB2 ASN B 701 -6.111 35.980 39.166 1.00 47.93 H new ATOM 0 HB3 ASN B 701 -6.086 35.446 37.701 1.00 47.93 H new ATOM 0 HD21 ASN B 701 -2.864 36.693 39.474 1.00 49.66 H new ATOM 0 HD22 ASN B 701 -4.218 36.955 40.037 1.00 49.66 H new ATOM 1551 N SER B 702 -8.073 36.749 36.131 1.00 40.66 N ATOM 1552 CA SER B 702 -9.374 36.277 35.645 1.00 38.13 C ATOM 1553 C SER B 702 -9.994 35.217 36.520 1.00 35.50 C ATOM 1554 O SER B 702 -9.304 34.365 37.069 1.00 33.59 O ATOM 1555 CB SER B 702 -9.262 35.733 34.203 1.00 37.95 C ATOM 1556 OG SER B 702 -10.541 35.351 33.652 1.00 36.62 O ATOM 0 H SER B 702 -7.458 36.740 35.530 1.00 40.66 H new ATOM 0 HA SER B 702 -9.955 37.054 35.668 1.00 38.13 H new ATOM 0 HB2 SER B 702 -8.859 36.409 33.636 1.00 37.95 H new ATOM 0 HB3 SER B 702 -8.668 34.966 34.196 1.00 37.95 H new ATOM 0 HG SER B 702 -10.452 35.167 32.837 1.00 36.62 H new ATOM 1557 N ASN B 703 -11.331 35.224 36.599 1.00 36.08 N ATOM 1558 CA ASN B 703 -12.055 34.121 37.276 1.00 35.73 C ATOM 1559 C ASN B 703 -12.579 33.075 36.339 1.00 30.85 C ATOM 1560 O ASN B 703 -13.424 32.260 36.704 1.00 31.52 O ATOM 1561 CB ASN B 703 -13.196 34.691 38.149 1.00 48.97 C ATOM 1562 CG ASN B 703 -14.217 35.483 37.342 1.00 60.31 C ATOM 1563 OD1 ASN B 703 -13.918 36.019 36.254 1.00 64.57 O ATOM 1564 ND2 ASN B 703 -15.425 35.617 37.900 1.00 75.57 N ATOM 0 H ASN B 703 -11.834 35.842 36.276 1.00 36.08 H new ATOM 0 HA ASN B 703 -11.404 33.671 37.837 1.00 35.73 H new ATOM 0 HB2 ASN B 703 -13.645 33.961 38.604 1.00 48.97 H new ATOM 0 HB3 ASN B 703 -12.818 35.263 38.835 1.00 48.97 H new ATOM 0 HD21 ASN B 703 -16.030 36.086 37.508 1.00 75.57 H new ATOM 0 HD22 ASN B 703 -15.597 35.234 38.651 1.00 75.57 H new ATOM 1565 N ILE B 704 -12.129 33.084 35.082 1.00 34.01 N ATOM 1566 CA ILE B 704 -12.476 31.980 34.159 1.00 32.57 C ATOM 1567 C ILE B 704 -11.179 31.522 33.427 1.00 28.36 C ATOM 1568 O ILE B 704 -10.268 32.279 33.254 1.00 27.41 O ATOM 1569 CB ILE B 704 -13.550 32.345 33.087 1.00 35.05 C ATOM 1570 CG1 ILE B 704 -13.145 33.600 32.348 1.00 36.02 C ATOM 1571 CG2 ILE B 704 -14.947 32.506 33.696 1.00 41.49 C ATOM 1572 CD1 ILE B 704 -14.093 33.975 31.216 1.00 39.87 C ATOM 0 H ILE B 704 -11.634 33.700 34.744 1.00 34.01 H new ATOM 0 HA ILE B 704 -12.864 31.278 34.705 1.00 32.57 H new ATOM 0 HB ILE B 704 -13.597 31.606 32.460 1.00 35.05 H new ATOM 0 HG12 ILE B 704 -13.098 34.336 32.978 1.00 36.02 H new ATOM 0 HG13 ILE B 704 -12.253 33.479 31.986 1.00 36.02 H new ATOM 0 HG21 ILE B 704 -15.581 32.732 32.997 1.00 41.49 H new ATOM 0 HG22 ILE B 704 -15.214 31.674 34.118 1.00 41.49 H new ATOM 0 HG23 ILE B 704 -14.932 33.214 34.359 1.00 41.49 H new ATOM 0 HD11 ILE B 704 -13.778 34.785 30.785 1.00 39.87 H new ATOM 0 HD12 ILE B 704 -14.124 33.255 30.567 1.00 39.87 H new ATOM 0 HD13 ILE B 704 -14.982 34.125 31.574 1.00 39.87 H new ATOM 1573 N CYS B 705 -11.193 30.256 33.035 1.00 26.42 N ATOM 1574 CA CYS B 705 -10.119 29.663 32.219 1.00 26.38 C ATOM 1575 C CYS B 705 -9.969 30.354 30.917 1.00 26.77 C ATOM 1576 O CYS B 705 -10.944 30.472 30.172 1.00 27.60 O ATOM 1577 CB CYS B 705 -10.413 28.222 32.006 1.00 26.00 C ATOM 1578 SG CYS B 705 -9.138 27.243 31.066 1.00 22.89 S ATOM 0 H CYS B 705 -11.825 29.707 33.231 1.00 26.42 H new ATOM 0 HA CYS B 705 -9.280 29.765 32.695 1.00 26.38 H new ATOM 0 HB2 CYS B 705 -10.536 27.806 32.874 1.00 26.00 H new ATOM 0 HB3 CYS B 705 -11.258 28.151 31.535 1.00 26.00 H new ATOM 1579 N GLU B 706 -8.737 30.714 30.587 1.00 25.06 N ATOM 1580 CA GLU B 706 -8.419 31.436 29.347 1.00 25.94 C ATOM 1581 C GLU B 706 -8.797 30.596 28.135 1.00 23.85 C ATOM 1582 O GLU B 706 -9.145 31.164 27.150 1.00 26.39 O ATOM 1583 CB GLU B 706 -6.921 31.719 29.280 1.00 27.53 C ATOM 1584 CG GLU B 706 -6.433 32.559 28.124 1.00 32.35 C ATOM 1585 CD GLU B 706 -6.706 34.044 28.325 1.00 35.35 C ATOM 1586 OE1 GLU B 706 -7.284 34.402 29.385 1.00 38.67 O ATOM 1587 OE2 GLU B 706 -6.301 34.834 27.431 1.00 37.51 O ATOM 0 H GLU B 706 -8.050 30.548 31.077 1.00 25.06 H new ATOM 0 HA GLU B 706 -8.920 32.267 29.343 1.00 25.94 H new ATOM 0 HB2 GLU B 706 -6.660 32.160 30.104 1.00 27.53 H new ATOM 0 HB3 GLU B 706 -6.455 30.869 29.253 1.00 27.53 H new ATOM 0 HG2 GLU B 706 -5.480 32.421 28.008 1.00 32.35 H new ATOM 0 HG3 GLU B 706 -6.864 32.262 27.308 1.00 32.35 H new ATOM 1588 N VAL B 707 -8.712 29.286 28.227 1.00 20.76 N ATOM 1589 CA VAL B 707 -8.855 28.396 27.090 1.00 23.55 C ATOM 1590 C VAL B 707 -10.327 28.009 26.856 1.00 25.84 C ATOM 1591 O VAL B 707 -10.832 28.159 25.756 1.00 27.46 O ATOM 1592 CB VAL B 707 -8.033 27.099 27.303 1.00 22.54 C ATOM 1593 CG1 VAL B 707 -8.160 26.149 26.156 1.00 24.18 C ATOM 1594 CG2 VAL B 707 -6.560 27.460 27.551 1.00 22.88 C ATOM 0 H VAL B 707 -8.566 28.876 28.969 1.00 20.76 H new ATOM 0 HA VAL B 707 -8.525 28.875 26.314 1.00 23.55 H new ATOM 0 HB VAL B 707 -8.392 26.643 28.080 1.00 22.54 H new ATOM 0 HG11 VAL B 707 -7.631 25.355 26.333 1.00 24.18 H new ATOM 0 HG12 VAL B 707 -9.090 25.899 26.044 1.00 24.18 H new ATOM 0 HG13 VAL B 707 -7.841 26.576 25.345 1.00 24.18 H new ATOM 0 HG21 VAL B 707 -6.046 26.648 27.684 1.00 22.88 H new ATOM 0 HG22 VAL B 707 -6.211 27.941 26.784 1.00 22.88 H new ATOM 0 HG23 VAL B 707 -6.492 28.019 28.341 1.00 22.88 H new ATOM 1595 N CYS B 708 -10.978 27.466 27.882 1.00 24.67 N ATOM 1596 CA CYS B 708 -12.380 27.017 27.763 1.00 25.05 C ATOM 1597 C CYS B 708 -13.441 27.979 28.313 1.00 26.85 C ATOM 1598 O CYS B 708 -14.608 27.681 28.168 1.00 29.50 O ATOM 1599 CB CYS B 708 -12.584 25.652 28.397 1.00 25.29 C ATOM 1600 SG CYS B 708 -12.574 25.666 30.222 1.00 27.01 S ATOM 0 H CYS B 708 -10.632 27.345 28.660 1.00 24.67 H new ATOM 0 HA CYS B 708 -12.518 26.981 26.804 1.00 25.05 H new ATOM 0 HB2 CYS B 708 -13.429 25.287 28.091 1.00 25.29 H new ATOM 0 HB3 CYS B 708 -11.887 25.054 28.084 1.00 25.29 H new ATOM 1601 N ASN B 709 -13.049 29.100 28.885 1.00 28.69 N ATOM 1602 CA ASN B 709 -13.948 30.112 29.468 1.00 31.17 C ATOM 1603 C ASN B 709 -14.905 29.638 30.578 1.00 34.03 C ATOM 1604 O ASN B 709 -15.917 30.289 30.812 1.00 36.81 O ATOM 1605 CB ASN B 709 -14.700 30.822 28.356 1.00 33.41 C ATOM 1606 CG ASN B 709 -13.757 31.313 27.291 1.00 42.69 C ATOM 1607 OD1 ASN B 709 -13.625 30.683 26.233 1.00 45.85 O ATOM 1608 ND2 ASN B 709 -13.003 32.364 27.602 1.00 41.95 N ATOM 0 H ASN B 709 -12.219 29.313 28.954 1.00 28.69 H new ATOM 0 HA ASN B 709 -13.361 30.723 29.940 1.00 31.17 H new ATOM 0 HB2 ASN B 709 -15.349 30.217 27.963 1.00 33.41 H new ATOM 0 HB3 ASN B 709 -15.195 31.571 28.723 1.00 33.41 H new ATOM 0 HD21 ASN B 709 -12.393 32.632 27.058 1.00 41.95 H new ATOM 0 HD22 ASN B 709 -13.125 32.776 28.347 1.00 41.95 H new ATOM 1609 N LYS B 710 -14.600 28.528 31.237 1.00 28.02 N ATOM 1610 CA LYS B 710 -15.376 28.010 32.336 1.00 30.70 C ATOM 1611 C LYS B 710 -14.652 28.290 33.691 1.00 33.69 C ATOM 1612 O LYS B 710 -13.450 28.525 33.767 1.00 32.41 O ATOM 1613 CB LYS B 710 -15.551 26.516 32.195 1.00 34.05 C ATOM 1614 CG LYS B 710 -16.258 26.080 30.939 1.00 42.29 C ATOM 1615 CD LYS B 710 -17.598 26.772 30.781 1.00 49.91 C ATOM 1616 CE LYS B 710 -18.462 26.060 29.736 1.00 65.44 C ATOM 1617 NZ LYS B 710 -19.517 26.931 29.123 1.00 67.99 N ATOM 0 H LYS B 710 -13.914 28.046 31.046 1.00 28.02 H new ATOM 0 HA LYS B 710 -16.241 28.449 32.324 1.00 30.70 H new ATOM 0 HB2 LYS B 710 -14.677 26.097 32.221 1.00 34.05 H new ATOM 0 HB3 LYS B 710 -16.047 26.187 32.961 1.00 34.05 H new ATOM 0 HG2 LYS B 710 -15.700 26.274 30.169 1.00 42.29 H new ATOM 0 HG3 LYS B 710 -16.390 25.119 30.958 1.00 42.29 H new ATOM 0 HD2 LYS B 710 -18.061 26.786 31.633 1.00 49.91 H new ATOM 0 HD3 LYS B 710 -17.460 27.695 30.517 1.00 49.91 H new ATOM 0 HE2 LYS B 710 -17.888 25.719 29.032 1.00 65.44 H new ATOM 0 HE3 LYS B 710 -18.889 25.294 30.150 1.00 65.44 H new ATOM 0 HZ1 LYS B 710 -19.982 26.460 28.528 1.00 67.99 H new ATOM 0 HZ2 LYS B 710 -20.065 27.227 29.759 1.00 67.99 H new ATOM 0 HZ3 LYS B 710 -19.132 27.624 28.718 1.00 67.99 H new ATOM 1618 N TRP B 711 -15.420 28.241 34.770 1.00 35.03 N ATOM 1619 CA TRP B 711 -14.997 28.733 36.088 1.00 33.98 C ATOM 1620 C TRP B 711 -14.500 27.503 36.815 1.00 30.78 C ATOM 1621 O TRP B 711 -14.649 26.386 36.329 1.00 31.25 O ATOM 1622 CB TRP B 711 -16.214 29.353 36.872 1.00 40.59 C ATOM 1623 CG TRP B 711 -16.951 28.317 37.683 1.00 47.24 C ATOM 1624 CD1 TRP B 711 -17.635 27.217 37.189 1.00 51.17 C ATOM 1625 CD2 TRP B 711 -17.036 28.228 39.133 1.00 52.02 C ATOM 1626 NE1 TRP B 711 -18.119 26.456 38.236 1.00 60.10 N ATOM 1627 CE2 TRP B 711 -17.772 27.038 39.434 1.00 57.03 C ATOM 1628 CE3 TRP B 711 -16.582 29.044 40.208 1.00 56.08 C ATOM 1629 CZ2 TRP B 711 -18.078 26.637 40.785 1.00 56.86 C ATOM 1630 CZ3 TRP B 711 -16.889 28.637 41.562 1.00 55.18 C ATOM 1631 CH2 TRP B 711 -17.621 27.446 41.823 1.00 48.82 C ATOM 0 H TRP B 711 -16.216 27.917 34.764 1.00 35.03 H new ATOM 0 HA TRP B 711 -14.323 29.427 36.013 1.00 33.98 H new ATOM 0 HB2 TRP B 711 -15.895 30.056 37.460 1.00 40.59 H new ATOM 0 HB3 TRP B 711 -16.826 29.766 36.243 1.00 40.59 H new ATOM 0 HD1 TRP B 711 -17.751 27.021 36.287 1.00 51.17 H new ATOM 0 HE1 TRP B 711 -18.569 25.728 38.152 1.00 60.10 H new ATOM 0 HE3 TRP B 711 -16.099 29.821 40.043 1.00 56.08 H new ATOM 0 HZ2 TRP B 711 -18.565 25.863 40.958 1.00 56.86 H new ATOM 0 HZ3 TRP B 711 -16.603 29.163 42.274 1.00 55.18 H new ATOM 0 HH2 TRP B 711 -17.798 27.203 42.703 1.00 48.82 H new ATOM 1632 N GLY B 712 -13.956 27.690 38.019 1.00 29.42 N ATOM 1633 CA GLY B 712 -13.616 26.533 38.839 1.00 31.07 C ATOM 1634 C GLY B 712 -12.275 25.849 38.654 1.00 34.64 C ATOM 1635 O GLY B 712 -11.827 25.646 37.534 1.00 33.06 O ATOM 0 H GLY B 712 -13.781 28.456 38.369 1.00 29.42 H new ATOM 0 HA2 GLY B 712 -13.675 26.808 39.767 1.00 31.07 H new ATOM 0 HA3 GLY B 712 -14.304 25.865 38.697 1.00 31.07 H new ATOM 1636 N ARG B 713 -11.663 25.462 39.777 1.00 33.15 N ATOM 1637 CA ARG B 713 -10.430 24.672 39.799 1.00 31.92 C ATOM 1638 C ARG B 713 -9.285 25.365 38.992 1.00 24.60 C ATOM 1639 O ARG B 713 -8.623 24.723 38.251 1.00 29.27 O ATOM 1640 CB ARG B 713 -10.782 23.297 39.294 1.00 31.01 C ATOM 1641 CG ARG B 713 -9.944 22.170 39.829 1.00 45.57 C ATOM 1642 CD ARG B 713 -10.380 20.780 39.372 1.00 50.40 C ATOM 1643 NE ARG B 713 -11.576 20.229 40.057 1.00 58.26 N ATOM 1644 CZ ARG B 713 -12.835 20.207 39.585 1.00 66.55 C ATOM 1645 NH1 ARG B 713 -13.803 19.680 40.337 1.00 67.31 N ATOM 1646 NH2 ARG B 713 -13.167 20.726 38.394 1.00 76.27 N ATOM 0 H ARG B 713 -11.959 25.655 40.561 1.00 33.15 H new ATOM 0 HA ARG B 713 -10.074 24.599 40.698 1.00 31.92 H new ATOM 0 HB2 ARG B 713 -11.710 23.119 39.511 1.00 31.01 H new ATOM 0 HB3 ARG B 713 -10.712 23.298 38.327 1.00 31.01 H new ATOM 0 HG2 ARG B 713 -9.023 22.312 39.560 1.00 45.57 H new ATOM 0 HG3 ARG B 713 -9.964 22.200 40.798 1.00 45.57 H new ATOM 0 HD2 ARG B 713 -10.558 20.811 38.419 1.00 50.40 H new ATOM 0 HD3 ARG B 713 -9.640 20.167 39.503 1.00 50.40 H new ATOM 0 HE ARG B 713 -11.451 19.888 40.837 1.00 58.26 H new ATOM 0 HH11 ARG B 713 -13.618 19.360 41.113 1.00 67.31 H new ATOM 0 HH12 ARG B 713 -14.612 19.661 40.045 1.00 67.31 H new ATOM 0 HH21 ARG B 713 -12.564 21.090 37.901 1.00 76.27 H new ATOM 0 HH22 ARG B 713 -13.983 20.694 38.123 1.00 76.27 H new ATOM 1647 N LEU B 714 -9.127 26.657 39.153 1.00 24.41 N ATOM 1648 CA LEU B 714 -8.272 27.482 38.382 1.00 23.88 C ATOM 1649 C LEU B 714 -6.882 27.719 39.009 1.00 29.77 C ATOM 1650 O LEU B 714 -6.735 27.863 40.232 1.00 27.20 O ATOM 1651 CB LEU B 714 -8.957 28.804 38.145 1.00 25.46 C ATOM 1652 CG LEU B 714 -10.179 28.808 37.253 1.00 29.76 C ATOM 1653 CD1 LEU B 714 -10.618 30.255 37.161 1.00 31.82 C ATOM 1654 CD2 LEU B 714 -9.940 28.216 35.851 1.00 28.64 C ATOM 0 H LEU B 714 -9.550 27.095 39.760 1.00 24.41 H new ATOM 0 HA LEU B 714 -8.107 27.012 37.550 1.00 23.88 H new ATOM 0 HB2 LEU B 714 -9.215 29.166 39.007 1.00 25.46 H new ATOM 0 HB3 LEU B 714 -8.306 29.414 37.764 1.00 25.46 H new ATOM 0 HG LEU B 714 -10.859 28.234 37.638 1.00 29.76 H new ATOM 0 HD11 LEU B 714 -11.404 30.320 36.597 1.00 31.82 H new ATOM 0 HD12 LEU B 714 -10.829 30.586 38.048 1.00 31.82 H new ATOM 0 HD13 LEU B 714 -9.902 30.787 36.779 1.00 31.82 H new ATOM 0 HD21 LEU B 714 -10.763 28.252 35.340 1.00 28.64 H new ATOM 0 HD22 LEU B 714 -9.254 28.729 35.396 1.00 28.64 H new ATOM 0 HD23 LEU B 714 -9.652 27.294 35.934 1.00 28.64 H new ATOM 1655 N PHE B 715 -5.867 27.809 38.147 1.00 30.07 N ATOM 1656 CA PHE B 715 -4.499 28.168 38.533 1.00 29.78 C ATOM 1657 C PHE B 715 -4.242 29.491 37.908 1.00 28.80 C ATOM 1658 O PHE B 715 -4.513 29.664 36.718 1.00 28.55 O ATOM 1659 CB PHE B 715 -3.541 27.169 37.982 1.00 28.60 C ATOM 1660 CG PHE B 715 -3.614 25.809 38.612 1.00 25.71 C ATOM 1661 CD1 PHE B 715 -4.515 24.860 38.172 1.00 29.61 C ATOM 1662 CD2 PHE B 715 -2.735 25.452 39.606 1.00 30.57 C ATOM 1663 CE1 PHE B 715 -4.550 23.605 38.731 1.00 32.41 C ATOM 1664 CE2 PHE B 715 -2.747 24.208 40.167 1.00 25.13 C ATOM 1665 CZ PHE B 715 -3.647 23.271 39.742 1.00 30.69 C ATOM 0 H PHE B 715 -5.956 27.660 37.305 1.00 30.07 H new ATOM 0 HA PHE B 715 -4.392 28.191 39.497 1.00 29.78 H new ATOM 0 HB2 PHE B 715 -3.700 27.079 37.029 1.00 28.60 H new ATOM 0 HB3 PHE B 715 -2.640 27.512 38.088 1.00 28.60 H new ATOM 0 HD1 PHE B 715 -5.107 25.073 37.487 1.00 29.61 H new ATOM 0 HD2 PHE B 715 -2.114 26.076 39.905 1.00 30.57 H new ATOM 0 HE1 PHE B 715 -5.173 22.980 38.437 1.00 32.41 H new ATOM 0 HE2 PHE B 715 -2.141 23.997 40.840 1.00 25.13 H new ATOM 0 HZ PHE B 715 -3.658 22.422 40.121 1.00 30.69 H new ATOM 1666 N CYS B 716 -3.734 30.444 38.689 1.00 27.76 N ATOM 1667 CA ACYS B 716 -3.511 31.788 38.184 0.64 31.54 C ATOM 1668 CA BCYS B 716 -3.488 31.818 38.245 0.36 31.27 C ATOM 1669 C CYS B 716 -2.051 31.969 37.806 1.00 28.70 C ATOM 1670 O CYS B 716 -1.165 31.505 38.491 1.00 34.06 O ATOM 1671 CB ACYS B 716 -3.938 32.844 39.217 0.64 38.68 C ATOM 1672 CB BCYS B 716 -3.732 32.823 39.394 0.36 36.14 C ATOM 1673 SG ACYS B 716 -5.650 32.634 39.780 0.64 46.60 S ATOM 1674 SG BCYS B 716 -2.381 32.994 40.616 0.36 43.29 S ATOM 0 H ACYS B 716 -3.514 30.329 39.512 0.64 27.76 H new ATOM 0 H BCYS B 716 -3.518 30.307 39.510 0.36 27.76 H new ATOM 0 HA ACYS B 716 -4.056 31.911 37.391 0.64 31.27 H new ATOM 0 HA BCYS B 716 -4.096 32.000 37.511 0.36 31.27 H new ATOM 0 HB2ACYS B 716 -3.344 32.799 39.982 0.64 36.14 H new ATOM 0 HB2BCYS B 716 -3.904 33.695 39.005 0.36 36.14 H new ATOM 0 HB3ACYS B 716 -3.836 33.728 38.830 0.64 36.14 H new ATOM 0 HB3BCYS B 716 -4.538 32.558 39.865 0.36 36.14 H new ATOM 0 HG ACYS B 716 -6.397 32.776 38.852 0.64 43.29 H new ATOM 0 HG BCYS B 716 -1.389 32.468 40.193 0.36 43.29 H new ATOM 1675 N CYS B 717 -1.816 32.646 36.694 1.00 26.98 N ATOM 1676 CA CYS B 717 -0.461 33.020 36.357 1.00 29.54 C ATOM 1677 C CYS B 717 0.035 34.161 37.340 1.00 34.44 C ATOM 1678 O CYS B 717 -0.757 35.100 37.700 1.00 36.82 O ATOM 1679 CB CYS B 717 -0.394 33.465 34.887 1.00 27.19 C ATOM 1680 SG CYS B 717 1.236 34.061 34.217 1.00 27.14 S ATOM 0 H CYS B 717 -2.417 32.894 36.131 1.00 26.98 H new ATOM 0 HA CYS B 717 0.129 32.258 36.462 1.00 29.54 H new ATOM 0 HB2 CYS B 717 -0.684 32.719 34.339 1.00 27.19 H new ATOM 0 HB3 CYS B 717 -1.042 34.176 34.764 1.00 27.19 H new ATOM 1681 N ASP B 718 1.318 34.089 37.731 1.00 37.67 N ATOM 1682 CA ASP B 718 1.940 35.145 38.564 1.00 39.30 C ATOM 1683 C ASP B 718 2.424 36.354 37.805 1.00 40.58 C ATOM 1684 O ASP B 718 2.701 37.366 38.422 1.00 43.67 O ATOM 1685 CB ASP B 718 3.049 34.526 39.406 1.00 44.46 C ATOM 1686 CG ASP B 718 2.483 33.568 40.442 1.00 53.33 C ATOM 1687 OD1 ASP B 718 1.593 34.018 41.185 1.00 64.13 O ATOM 1688 OD2 ASP B 718 2.854 32.369 40.494 1.00 56.78 O ATOM 0 H ASP B 718 1.846 33.441 37.527 1.00 37.67 H new ATOM 0 HA ASP B 718 1.240 35.498 39.135 1.00 39.30 H new ATOM 0 HB2 ASP B 718 3.670 34.053 38.830 1.00 44.46 H new ATOM 0 HB3 ASP B 718 3.551 35.227 39.850 1.00 44.46 H new ATOM 1689 N THR B 719 2.510 36.303 36.475 1.00 36.89 N ATOM 1690 CA THR B 719 3.051 37.434 35.709 1.00 35.20 C ATOM 1691 C THR B 719 2.089 38.070 34.761 1.00 34.43 C ATOM 1692 O THR B 719 2.437 39.017 34.080 1.00 33.31 O ATOM 1693 CB THR B 719 4.369 36.996 35.013 1.00 39.54 C ATOM 1694 OG1 THR B 719 4.216 35.696 34.410 1.00 35.87 O ATOM 1695 CG2 THR B 719 5.460 36.811 36.063 1.00 39.36 C ATOM 0 H THR B 719 2.264 35.631 35.999 1.00 36.89 H new ATOM 0 HA THR B 719 3.237 38.142 36.345 1.00 35.20 H new ATOM 0 HB THR B 719 4.588 37.675 34.356 1.00 39.54 H new ATOM 0 HG1 THR B 719 3.829 35.775 33.669 1.00 35.87 H new ATOM 0 HG21 THR B 719 6.284 36.537 35.630 1.00 39.36 H new ATOM 0 HG22 THR B 719 5.604 37.648 36.531 1.00 39.36 H new ATOM 0 HG23 THR B 719 5.187 36.129 36.697 1.00 39.36 H new ATOM 1696 N CYS B 720 0.870 37.537 34.685 1.00 37.30 N ATOM 1697 CA CYS B 720 -0.205 38.162 33.944 1.00 33.86 C ATOM 1698 C CYS B 720 -1.572 37.814 34.574 1.00 31.89 C ATOM 1699 O CYS B 720 -1.642 36.987 35.502 1.00 29.80 O ATOM 1700 CB CYS B 720 -0.113 37.760 32.466 1.00 35.47 C ATOM 1701 SG CYS B 720 -0.910 36.140 32.047 1.00 30.53 S ATOM 0 H CYS B 720 0.650 36.798 35.066 1.00 37.30 H new ATOM 0 HA CYS B 720 -0.119 39.127 33.990 1.00 33.86 H new ATOM 0 HB2 CYS B 720 -0.523 38.456 31.929 1.00 35.47 H new ATOM 0 HB3 CYS B 720 0.823 37.720 32.213 1.00 35.47 H new ATOM 1702 N PRO B 721 -2.664 38.427 34.089 1.00 33.21 N ATOM 1703 CA PRO B 721 -3.956 38.170 34.725 1.00 36.90 C ATOM 1704 C PRO B 721 -4.664 36.862 34.320 1.00 36.59 C ATOM 1705 O PRO B 721 -5.733 36.558 34.826 1.00 33.20 O ATOM 1706 CB PRO B 721 -4.785 39.373 34.326 1.00 39.39 C ATOM 1707 CG PRO B 721 -4.154 39.922 33.100 1.00 44.67 C ATOM 1708 CD PRO B 721 -2.757 39.427 33.007 1.00 41.58 C ATOM 0 HA PRO B 721 -3.833 38.049 35.680 1.00 36.90 H new ATOM 0 HB2 PRO B 721 -5.706 39.119 34.158 1.00 39.39 H new ATOM 0 HB3 PRO B 721 -4.799 40.035 35.035 1.00 39.39 H new ATOM 0 HG2 PRO B 721 -4.657 39.652 32.316 1.00 44.67 H new ATOM 0 HG3 PRO B 721 -4.164 40.892 33.124 1.00 44.67 H new ATOM 0 HD2 PRO B 721 -2.577 39.031 32.140 1.00 41.58 H new ATOM 0 HD3 PRO B 721 -2.116 40.145 33.130 1.00 41.58 H new ATOM 1709 N ARG B 722 -4.059 36.056 33.446 1.00 31.10 N ATOM 1710 CA ARG B 722 -4.718 34.828 32.980 1.00 28.39 C ATOM 1711 C ARG B 722 -4.821 33.746 34.018 1.00 25.75 C ATOM 1712 O ARG B 722 -4.004 33.646 34.947 1.00 30.77 O ATOM 1713 CB ARG B 722 -3.987 34.319 31.745 1.00 27.55 C ATOM 1714 CG ARG B 722 -4.111 35.225 30.584 1.00 28.54 C ATOM 1715 CD ARG B 722 -3.297 34.709 29.428 1.00 27.09 C ATOM 1716 NE ARG B 722 -3.319 35.555 28.275 1.00 27.58 N ATOM 1717 CZ ARG B 722 -2.422 36.502 28.042 1.00 29.61 C ATOM 1718 NH1 ARG B 722 -1.450 36.757 28.884 1.00 32.54 N ATOM 1719 NH2 ARG B 722 -2.483 37.177 26.928 1.00 31.93 N ATOM 0 H ARG B 722 -3.279 36.197 33.113 1.00 31.10 H new ATOM 0 HA ARG B 722 -5.636 35.061 32.770 1.00 28.39 H new ATOM 0 HB2 ARG B 722 -3.048 34.201 31.957 1.00 27.55 H new ATOM 0 HB3 ARG B 722 -4.336 33.446 31.506 1.00 27.55 H new ATOM 0 HG2 ARG B 722 -5.042 35.301 30.323 1.00 28.54 H new ATOM 0 HG3 ARG B 722 -3.811 36.115 30.827 1.00 28.54 H new ATOM 0 HD2 ARG B 722 -2.378 34.596 29.717 1.00 27.09 H new ATOM 0 HD3 ARG B 722 -3.626 33.831 29.179 1.00 27.09 H new ATOM 0 HE ARG B 722 -3.950 35.443 27.701 1.00 27.58 H new ATOM 0 HH11 ARG B 722 -1.382 36.304 29.612 1.00 32.54 H new ATOM 0 HH12 ARG B 722 -0.881 37.377 28.709 1.00 32.54 H new ATOM 0 HH21 ARG B 722 -3.100 37.005 26.355 1.00 31.93 H new ATOM 0 HH22 ARG B 722 -1.906 37.794 26.767 1.00 31.93 H new ATOM 1720 N SER B 723 -5.861 32.937 33.914 1.00 24.10 N ATOM 1721 CA SER B 723 -6.057 31.782 34.731 1.00 25.61 C ATOM 1722 C SER B 723 -6.362 30.520 33.858 1.00 24.44 C ATOM 1723 O SER B 723 -6.865 30.675 32.735 1.00 27.28 O ATOM 1724 CB SER B 723 -7.247 32.034 35.738 1.00 33.08 C ATOM 1725 OG SER B 723 -6.971 33.113 36.666 1.00 33.88 O ATOM 0 H SER B 723 -6.490 33.059 33.341 1.00 24.10 H new ATOM 0 HA SER B 723 -5.240 31.619 35.227 1.00 25.61 H new ATOM 0 HB2 SER B 723 -8.052 32.240 35.237 1.00 33.08 H new ATOM 0 HB3 SER B 723 -7.423 31.220 36.236 1.00 33.08 H new ATOM 0 HG SER B 723 -7.679 33.537 36.822 1.00 33.88 H new ATOM 1726 N PHE B 724 -6.081 29.312 34.376 1.00 22.31 N ATOM 1727 CA PHE B 724 -6.210 28.071 33.604 1.00 21.79 C ATOM 1728 C PHE B 724 -6.595 26.943 34.412 1.00 22.13 C ATOM 1729 O PHE B 724 -6.121 26.857 35.553 1.00 23.95 O ATOM 1730 CB PHE B 724 -4.812 27.715 32.999 1.00 22.16 C ATOM 1731 CG PHE B 724 -4.245 28.774 32.090 1.00 20.39 C ATOM 1732 CD1 PHE B 724 -3.433 29.836 32.589 1.00 23.11 C ATOM 1733 CD2 PHE B 724 -4.461 28.698 30.689 1.00 22.45 C ATOM 1734 CE1 PHE B 724 -2.923 30.817 31.728 1.00 20.14 C ATOM 1735 CE2 PHE B 724 -3.944 29.653 29.839 1.00 19.25 C ATOM 1736 CZ PHE B 724 -3.168 30.711 30.352 1.00 20.22 C ATOM 0 H PHE B 724 -5.811 29.194 35.184 1.00 22.31 H new ATOM 0 HA PHE B 724 -6.893 28.229 32.934 1.00 21.79 H new ATOM 0 HB2 PHE B 724 -4.188 27.557 33.724 1.00 22.16 H new ATOM 0 HB3 PHE B 724 -4.887 26.884 32.504 1.00 22.16 H new ATOM 0 HD1 PHE B 724 -3.240 29.878 33.498 1.00 23.11 H new ATOM 0 HD2 PHE B 724 -4.958 27.994 30.339 1.00 22.45 H new ATOM 0 HE1 PHE B 724 -2.429 31.529 32.065 1.00 20.14 H new ATOM 0 HE2 PHE B 724 -4.108 29.598 28.925 1.00 19.25 H new ATOM 0 HZ PHE B 724 -2.815 31.346 29.772 1.00 20.22 H new ATOM 1737 N HIS B 725 -7.363 26.012 33.843 1.00 20.42 N ATOM 1738 CA HIS B 725 -7.465 24.674 34.311 1.00 20.66 C ATOM 1739 C HIS B 725 -6.172 23.928 34.109 1.00 25.56 C ATOM 1740 O HIS B 725 -5.405 24.187 33.150 1.00 21.29 O ATOM 1741 CB HIS B 725 -8.613 23.853 33.670 1.00 22.55 C ATOM 1742 CG HIS B 725 -9.965 24.407 33.977 1.00 28.91 C ATOM 1743 ND1 HIS B 725 -10.797 24.923 33.024 1.00 31.19 N ATOM 1744 CD2 HIS B 725 -10.573 24.649 35.174 1.00 27.49 C ATOM 1745 CE1 HIS B 725 -11.879 25.427 33.595 1.00 32.44 C ATOM 1746 NE2 HIS B 725 -11.763 25.260 34.904 1.00 30.01 N ATOM 0 H HIS B 725 -7.848 26.168 33.150 1.00 20.42 H new ATOM 0 HA HIS B 725 -7.669 24.764 35.255 1.00 20.66 H new ATOM 0 HB2 HIS B 725 -8.489 23.829 32.708 1.00 22.55 H new ATOM 0 HB3 HIS B 725 -8.565 22.937 33.985 1.00 22.55 H new ATOM 0 HD2 HIS B 725 -10.239 24.437 36.016 1.00 27.49 H new ATOM 0 HE1 HIS B 725 -12.594 25.827 33.155 1.00 32.44 H new ATOM 0 HE2 HIS B 725 -12.345 25.499 35.490 1.00 30.01 H new ATOM 1747 N GLU B 726 -5.940 22.976 35.006 1.00 26.65 N ATOM 1748 CA GLU B 726 -4.710 22.206 34.991 1.00 29.94 C ATOM 1749 C GLU B 726 -4.347 21.636 33.591 1.00 26.55 C ATOM 1750 O GLU B 726 -3.202 21.758 33.142 1.00 25.52 O ATOM 1751 CB GLU B 726 -4.821 21.023 35.950 1.00 30.89 C ATOM 1752 CG GLU B 726 -3.499 20.318 36.131 1.00 32.75 C ATOM 1753 CD GLU B 726 -3.469 19.324 37.306 1.00 44.15 C ATOM 1754 OE1 GLU B 726 -4.442 19.266 38.100 1.00 46.74 O ATOM 1755 OE2 GLU B 726 -2.441 18.594 37.440 1.00 44.66 O ATOM 0 H GLU B 726 -6.487 22.762 35.634 1.00 26.65 H new ATOM 0 HA GLU B 726 -4.013 22.826 35.257 1.00 29.94 H new ATOM 0 HB2 GLU B 726 -5.141 21.334 36.811 1.00 30.89 H new ATOM 0 HB3 GLU B 726 -5.479 20.395 35.613 1.00 30.89 H new ATOM 0 HG2 GLU B 726 -3.283 19.843 35.313 1.00 32.75 H new ATOM 0 HG3 GLU B 726 -2.805 20.983 36.265 1.00 32.75 H new ATOM 1756 N HIS B 727 -5.316 20.994 32.961 1.00 27.28 N ATOM 1757 CA HIS B 727 -5.146 20.374 31.684 1.00 28.45 C ATOM 1758 C HIS B 727 -5.685 21.138 30.464 1.00 26.11 C ATOM 1759 O HIS B 727 -5.635 20.612 29.348 1.00 23.09 O ATOM 1760 CB HIS B 727 -5.722 18.956 31.728 1.00 31.82 C ATOM 1761 CG HIS B 727 -5.167 18.130 32.840 1.00 35.63 C ATOM 1762 ND1 HIS B 727 -3.863 17.676 32.856 1.00 38.95 N ATOM 1763 CD2 HIS B 727 -5.747 17.641 33.963 1.00 41.68 C ATOM 1764 CE1 HIS B 727 -3.652 16.967 33.953 1.00 41.86 C ATOM 1765 NE2 HIS B 727 -4.782 16.923 34.639 1.00 43.29 N ATOM 0 H HIS B 727 -6.110 20.910 33.282 1.00 27.28 H new ATOM 0 HA HIS B 727 -4.187 20.369 31.539 1.00 28.45 H new ATOM 0 HB2 HIS B 727 -6.686 19.008 31.821 1.00 31.82 H new ATOM 0 HB3 HIS B 727 -5.542 18.514 30.884 1.00 31.82 H new ATOM 0 HD2 HIS B 727 -6.630 17.766 34.228 1.00 41.68 H new ATOM 0 HE1 HIS B 727 -2.848 16.569 34.199 1.00 41.86 H new ATOM 0 HE2 HIS B 727 -4.897 16.513 35.386 1.00 43.29 H new ATOM 1766 N CYS B 728 -6.134 22.362 30.658 1.00 21.44 N ATOM 1767 CA CYS B 728 -6.426 23.291 29.602 1.00 22.13 C ATOM 1768 C CYS B 728 -5.115 23.966 29.223 1.00 21.58 C ATOM 1769 O CYS B 728 -4.868 24.207 28.052 1.00 19.12 O ATOM 1770 CB CYS B 728 -7.524 24.335 29.962 1.00 22.87 C ATOM 1771 SG CYS B 728 -9.222 23.678 29.943 1.00 27.23 S ATOM 0 H CYS B 728 -6.282 22.683 31.442 1.00 21.44 H new ATOM 0 HA CYS B 728 -6.801 22.803 28.852 1.00 22.13 H new ATOM 0 HB2 CYS B 728 -7.337 24.693 30.844 1.00 22.87 H new ATOM 0 HB3 CYS B 728 -7.468 25.075 29.337 1.00 22.87 H new ATOM 1772 N HIS B 729 -4.246 24.239 30.190 1.00 19.62 N ATOM 1773 CA HIS B 729 -2.991 24.852 29.847 1.00 19.29 C ATOM 1774 C HIS B 729 -2.197 23.753 29.133 1.00 20.18 C ATOM 1775 O HIS B 729 -2.376 22.572 29.450 1.00 19.84 O ATOM 1776 CB HIS B 729 -2.240 25.287 31.115 1.00 20.73 C ATOM 1777 CG HIS B 729 -1.049 26.154 30.833 1.00 21.23 C ATOM 1778 ND1 HIS B 729 0.229 25.655 30.701 1.00 23.13 N ATOM 1779 CD2 HIS B 729 -0.951 27.488 30.683 1.00 22.83 C ATOM 1780 CE1 HIS B 729 1.075 26.645 30.460 1.00 22.81 C ATOM 1781 NE2 HIS B 729 0.386 27.768 30.478 1.00 25.02 N ATOM 0 H HIS B 729 -4.366 24.079 31.026 1.00 19.62 H new ATOM 0 HA HIS B 729 -3.114 25.642 29.298 1.00 19.29 H new ATOM 0 HB2 HIS B 729 -2.851 25.767 31.696 1.00 20.73 H new ATOM 0 HB3 HIS B 729 -1.950 24.497 31.598 1.00 20.73 H new ATOM 0 HD1 HIS B 729 0.445 24.825 30.765 1.00 23.13 H new ATOM 0 HD2 HIS B 729 -1.649 28.102 30.712 1.00 22.83 H new ATOM 0 HE1 HIS B 729 1.988 26.563 30.306 1.00 22.81 H new ATOM 1782 N ILE B 730 -1.255 24.154 28.273 1.00 21.26 N ATOM 1783 CA ILE B 730 -0.355 23.227 27.578 1.00 21.83 C ATOM 1784 C ILE B 730 1.050 23.810 27.675 1.00 22.93 C ATOM 1785 O ILE B 730 1.254 25.000 27.320 1.00 24.11 O ATOM 1786 CB ILE B 730 -0.703 23.015 26.075 1.00 21.41 C ATOM 1787 CG1 ILE B 730 -2.140 22.697 25.894 1.00 23.30 C ATOM 1788 CG2 ILE B 730 0.164 21.838 25.494 1.00 24.07 C ATOM 1789 CD1 ILE B 730 -2.641 22.440 24.458 1.00 21.25 C ATOM 0 H ILE B 730 -1.120 24.980 28.075 1.00 21.26 H new ATOM 0 HA ILE B 730 -0.439 22.358 28.001 1.00 21.83 H new ATOM 0 HB ILE B 730 -0.509 23.840 25.602 1.00 21.41 H new ATOM 0 HG12 ILE B 730 -2.341 21.911 26.426 1.00 23.30 H new ATOM 0 HG13 ILE B 730 -2.657 23.430 26.264 1.00 23.30 H new ATOM 0 HG21 ILE B 730 -0.054 21.707 24.558 1.00 24.07 H new ATOM 0 HG22 ILE B 730 1.105 22.057 25.579 1.00 24.07 H new ATOM 0 HG23 ILE B 730 -0.024 21.024 25.986 1.00 24.07 H new ATOM 0 HD11 ILE B 730 -3.591 22.244 24.477 1.00 21.25 H new ATOM 0 HD12 ILE B 730 -2.484 23.228 23.914 1.00 21.25 H new ATOM 0 HD13 ILE B 730 -2.163 21.686 24.079 1.00 21.25 H new ATOM 1790 N PRO B 731 2.024 23.036 28.161 1.00 23.96 N ATOM 1791 CA PRO B 731 1.843 21.775 28.895 1.00 25.86 C ATOM 1792 C PRO B 731 1.027 21.956 30.183 1.00 25.51 C ATOM 1793 O PRO B 731 0.858 23.094 30.628 1.00 26.12 O ATOM 1794 CB PRO B 731 3.262 21.378 29.276 1.00 29.98 C ATOM 1795 CG PRO B 731 4.132 22.571 29.001 1.00 30.62 C ATOM 1796 CD PRO B 731 3.337 23.655 28.380 1.00 29.73 C ATOM 0 HA PRO B 731 1.366 21.124 28.357 1.00 25.86 H new ATOM 0 HB2 PRO B 731 3.310 21.125 30.211 1.00 29.98 H new ATOM 0 HB3 PRO B 731 3.556 20.611 28.760 1.00 29.98 H new ATOM 0 HG2 PRO B 731 4.530 22.886 29.828 1.00 30.62 H new ATOM 0 HG3 PRO B 731 4.861 22.319 28.413 1.00 30.62 H new ATOM 0 HD2 PRO B 731 3.274 24.429 28.961 1.00 29.73 H new ATOM 0 HD3 PRO B 731 3.733 23.956 27.547 1.00 29.73 H new ATOM 1797 N SER B 732 0.528 20.865 30.727 1.00 24.51 N ATOM 1798 CA SER B 732 -0.252 20.903 31.991 1.00 29.43 C ATOM 1799 C SER B 732 0.436 21.706 33.106 1.00 31.95 C ATOM 1800 O SER B 732 1.666 21.808 33.160 1.00 30.23 O ATOM 1801 CB SER B 732 -0.454 19.536 32.512 1.00 32.57 C ATOM 1802 OG SER B 732 -1.402 18.881 31.760 1.00 38.80 O ATOM 0 H SER B 732 0.620 20.078 30.392 1.00 24.51 H new ATOM 0 HA SER B 732 -1.091 21.333 31.763 1.00 29.43 H new ATOM 0 HB2 SER B 732 0.383 19.046 32.489 1.00 32.57 H new ATOM 0 HB3 SER B 732 -0.735 19.574 33.440 1.00 32.57 H new ATOM 0 HG SER B 732 -2.028 18.625 32.259 1.00 38.80 H new ATOM 1803 N VAL B 733 -0.369 22.329 33.951 1.00 30.38 N ATOM 1804 CA VAL B 733 0.147 23.286 34.928 1.00 32.45 C ATOM 1805 C VAL B 733 1.022 22.462 35.861 1.00 32.79 C ATOM 1806 O VAL B 733 0.654 21.345 36.154 1.00 31.93 O ATOM 1807 CB VAL B 733 -0.973 23.978 35.730 1.00 27.60 C ATOM 1808 CG1 VAL B 733 -0.418 24.881 36.811 1.00 29.75 C ATOM 1809 CG2 VAL B 733 -1.810 24.861 34.816 1.00 25.28 C ATOM 0 H VAL B 733 -1.221 22.214 33.979 1.00 30.38 H new ATOM 0 HA VAL B 733 0.629 24.001 34.483 1.00 32.45 H new ATOM 0 HB VAL B 733 -1.502 23.269 36.127 1.00 27.60 H new ATOM 0 HG11 VAL B 733 -1.150 25.297 37.292 1.00 29.75 H new ATOM 0 HG12 VAL B 733 0.117 24.357 37.427 1.00 29.75 H new ATOM 0 HG13 VAL B 733 0.135 25.568 36.407 1.00 29.75 H new ATOM 0 HG21 VAL B 733 -2.510 25.290 35.332 1.00 25.28 H new ATOM 0 HG22 VAL B 733 -1.244 25.539 34.414 1.00 25.28 H new ATOM 0 HG23 VAL B 733 -2.210 24.318 34.119 1.00 25.28 H new ATOM 1810 N GLU B 734 2.197 22.996 36.233 1.00 38.16 N ATOM 1811 CA GLU B 734 3.036 22.413 37.334 1.00 49.35 C ATOM 1812 C GLU B 734 2.440 22.932 38.640 1.00 47.15 C ATOM 1813 O GLU B 734 2.629 24.108 39.006 1.00 44.43 O ATOM 1814 CB GLU B 734 4.488 22.842 37.264 1.00 55.17 C ATOM 1815 CG GLU B 734 5.208 22.406 36.005 1.00 65.93 C ATOM 1816 CD GLU B 734 5.118 23.411 34.884 1.00 79.13 C ATOM 1817 OE1 GLU B 734 4.934 24.613 35.175 1.00 93.31 O ATOM 1818 OE2 GLU B 734 5.228 22.997 33.702 1.00101.56 O ATOM 0 H GLU B 734 2.537 23.696 35.868 1.00 38.16 H new ATOM 0 HA GLU B 734 3.027 21.446 37.261 1.00 49.35 H new ATOM 0 HB2 GLU B 734 4.532 23.809 37.331 1.00 55.17 H new ATOM 0 HB3 GLU B 734 4.958 22.483 38.033 1.00 55.17 H new ATOM 0 HG2 GLU B 734 6.142 22.247 36.213 1.00 65.93 H new ATOM 0 HG3 GLU B 734 4.837 21.562 35.704 1.00 65.93 H new ATOM 1819 N ALA B 735 1.673 22.073 39.302 1.00 51.88 N ATOM 1820 CA ALA B 735 0.893 22.446 40.493 1.00 59.19 C ATOM 1821 C ALA B 735 1.798 22.801 41.699 1.00 65.66 C ATOM 1822 O ALA B 735 1.491 23.731 42.485 1.00 65.45 O ATOM 1823 CB ALA B 735 -0.088 21.316 40.847 1.00 60.45 C ATOM 0 H ALA B 735 1.586 21.248 39.075 1.00 51.88 H new ATOM 0 HA ALA B 735 0.390 23.248 40.282 1.00 59.19 H new ATOM 0 HB1 ALA B 735 -0.600 21.566 41.632 1.00 60.45 H new ATOM 0 HB2 ALA B 735 -0.691 21.166 40.102 1.00 60.45 H new ATOM 0 HB3 ALA B 735 0.408 20.502 41.030 1.00 60.45 H new ATOM 1824 N ASN B 736 2.890 22.039 41.817 1.00 62.24 N ATOM 1825 CA ASN B 736 4.004 22.282 42.753 1.00 72.78 C ATOM 1826 C ASN B 736 4.716 23.663 42.683 1.00 76.00 C ATOM 1827 O ASN B 736 5.337 24.055 43.670 1.00 81.98 O ATOM 1828 CB ASN B 736 5.088 21.221 42.496 1.00 78.95 C ATOM 1829 CG ASN B 736 5.665 21.322 41.075 1.00 83.04 C ATOM 1830 OD1 ASN B 736 5.005 20.952 40.098 1.00 85.52 O ATOM 1831 ND2 ASN B 736 6.864 21.888 40.951 1.00 88.64 N ATOM 0 H ASN B 736 3.010 21.337 41.335 1.00 62.24 H new ATOM 0 HA ASN B 736 3.584 22.247 43.627 1.00 72.78 H new ATOM 0 HB2 ASN B 736 5.803 21.327 43.143 1.00 78.95 H new ATOM 0 HB3 ASN B 736 4.712 20.337 42.630 1.00 78.95 H new ATOM 0 HD21 ASN B 736 7.205 22.007 40.170 1.00 88.64 H new ATOM 0 HD22 ASN B 736 7.298 22.134 41.652 1.00 88.64 H new ATOM 1832 N LYS B 737 4.670 24.364 41.534 1.00 76.50 N ATOM 1833 CA LYS B 737 5.540 25.547 41.273 1.00 77.30 C ATOM 1834 C LYS B 737 4.971 26.862 41.772 1.00 74.45 C ATOM 1835 O LYS B 737 3.769 27.076 41.726 1.00 67.87 O ATOM 1836 CB LYS B 737 5.862 25.703 39.778 1.00 77.28 C ATOM 1837 CG LYS B 737 7.103 24.941 39.332 1.00 83.06 C ATOM 1838 CD LYS B 737 7.750 25.552 38.102 1.00 84.51 C ATOM 1839 CE LYS B 737 8.152 26.997 38.344 1.00 87.33 C ATOM 1840 NZ LYS B 737 9.392 27.358 37.618 1.00 90.74 N ATOM 0 H LYS B 737 4.139 24.173 40.885 1.00 76.50 H new ATOM 0 HA LYS B 737 6.347 25.358 41.778 1.00 77.30 H new ATOM 0 HB2 LYS B 737 5.102 25.398 39.259 1.00 77.28 H new ATOM 0 HB3 LYS B 737 5.982 26.645 39.578 1.00 77.28 H new ATOM 0 HG2 LYS B 737 7.747 24.924 40.058 1.00 83.06 H new ATOM 0 HG3 LYS B 737 6.863 24.020 39.144 1.00 83.06 H new ATOM 0 HD2 LYS B 737 8.532 25.034 37.856 1.00 84.51 H new ATOM 0 HD3 LYS B 737 7.133 25.507 37.355 1.00 84.51 H new ATOM 0 HE2 LYS B 737 7.432 27.583 38.064 1.00 87.33 H new ATOM 0 HE3 LYS B 737 8.281 27.141 39.295 1.00 87.33 H new ATOM 0 HZ1 LYS B 737 9.596 28.208 37.783 1.00 90.74 H new ATOM 0 HZ2 LYS B 737 10.059 26.835 37.891 1.00 90.74 H new ATOM 0 HZ3 LYS B 737 9.267 27.247 36.744 1.00 90.74 H new ATOM 1841 N ASN B 738 5.856 27.748 42.227 1.00 75.47 N ATOM 1842 CA ASN B 738 5.447 29.027 42.786 1.00 75.48 C ATOM 1843 C ASN B 738 6.669 29.936 42.941 1.00 73.55 C ATOM 1844 O ASN B 738 7.471 29.698 43.822 1.00 82.20 O ATOM 1845 CB ASN B 738 4.726 28.830 44.131 1.00 82.80 C ATOM 1846 CG ASN B 738 3.658 29.875 44.370 1.00 88.37 C ATOM 1847 OD1 ASN B 738 3.933 31.072 44.340 1.00107.09 O ATOM 1848 ND2 ASN B 738 2.432 29.430 44.573 1.00 87.39 N ATOM 0 H ASN B 738 6.707 27.622 42.219 1.00 75.47 H new ATOM 0 HA ASN B 738 4.820 29.451 42.180 1.00 75.48 H new ATOM 0 HB2 ASN B 738 4.323 27.948 44.153 1.00 82.80 H new ATOM 0 HB3 ASN B 738 5.375 28.863 44.851 1.00 82.80 H new ATOM 0 HD21 ASN B 738 1.787 29.986 44.691 1.00 87.39 H new ATOM 0 HD22 ASN B 738 2.278 28.584 44.587 1.00 87.39 H new ATOM 1849 N PRO B 739 6.839 30.964 42.112 1.00 61.33 N ATOM 1850 CA PRO B 739 5.844 31.428 41.161 1.00 57.26 C ATOM 1851 C PRO B 739 5.791 30.572 39.877 1.00 48.51 C ATOM 1852 O PRO B 739 6.783 29.904 39.495 1.00 48.24 O ATOM 1853 CB PRO B 739 6.324 32.851 40.845 1.00 56.47 C ATOM 1854 CG PRO B 739 7.805 32.737 40.910 1.00 57.34 C ATOM 1855 CD PRO B 739 8.055 31.792 42.060 1.00 57.57 C ATOM 0 HA PRO B 739 4.944 31.378 41.519 1.00 57.26 H new ATOM 0 HB2 PRO B 739 6.026 33.143 39.969 1.00 56.47 H new ATOM 0 HB3 PRO B 739 5.986 33.494 41.488 1.00 56.47 H new ATOM 0 HG2 PRO B 739 8.170 32.390 40.081 1.00 57.34 H new ATOM 0 HG3 PRO B 739 8.220 33.600 41.064 1.00 57.34 H new ATOM 0 HD2 PRO B 739 8.846 31.252 41.910 1.00 57.57 H new ATOM 0 HD3 PRO B 739 8.193 32.273 42.891 1.00 57.57 H new ATOM 1856 N TRP B 740 4.617 30.580 39.258 1.00 40.12 N ATOM 1857 CA TRP B 740 4.342 29.869 37.996 1.00 32.80 C ATOM 1858 C TRP B 740 3.955 30.909 36.988 1.00 31.86 C ATOM 1859 O TRP B 740 3.082 31.792 37.273 1.00 32.03 O ATOM 1860 CB TRP B 740 3.213 28.877 38.206 1.00 35.64 C ATOM 1861 CG TRP B 740 2.832 28.167 36.949 1.00 33.07 C ATOM 1862 CD1 TRP B 740 3.481 27.119 36.380 1.00 33.51 C ATOM 1863 CD2 TRP B 740 1.696 28.441 36.127 1.00 29.63 C ATOM 1864 NE1 TRP B 740 2.843 26.742 35.231 1.00 30.87 N ATOM 1865 CE2 TRP B 740 1.742 27.538 35.048 1.00 30.22 C ATOM 1866 CE3 TRP B 740 0.647 29.379 36.188 1.00 32.64 C ATOM 1867 CZ2 TRP B 740 0.782 27.540 34.032 1.00 28.32 C ATOM 1868 CZ3 TRP B 740 -0.336 29.359 35.216 1.00 27.84 C ATOM 1869 CH2 TRP B 740 -0.261 28.419 34.152 1.00 29.41 C ATOM 0 H TRP B 740 3.935 31.008 39.562 1.00 40.12 H new ATOM 0 HA TRP B 740 5.117 29.373 37.690 1.00 32.80 H new ATOM 0 HB2 TRP B 740 3.479 28.226 38.874 1.00 35.64 H new ATOM 0 HB3 TRP B 740 2.438 29.343 38.558 1.00 35.64 H new ATOM 0 HD1 TRP B 740 4.247 26.717 36.722 1.00 33.51 H new ATOM 0 HE1 TRP B 740 3.092 26.107 34.707 1.00 30.87 H new ATOM 0 HE3 TRP B 740 0.616 30.005 36.875 1.00 32.64 H new ATOM 0 HZ2 TRP B 740 0.849 26.967 33.303 1.00 28.32 H new ATOM 0 HZ3 TRP B 740 -1.045 29.959 35.258 1.00 27.84 H new ATOM 0 HH2 TRP B 740 -0.941 28.401 33.518 1.00 29.41 H new ATOM 1870 N SER B 741 4.595 30.862 35.813 1.00 25.71 N ATOM 1871 CA SER B 741 4.240 31.701 34.696 1.00 27.71 C ATOM 1872 C SER B 741 3.618 30.800 33.638 1.00 29.33 C ATOM 1873 O SER B 741 4.159 29.714 33.344 1.00 26.69 O ATOM 1874 CB SER B 741 5.465 32.391 34.116 1.00 30.78 C ATOM 1875 OG SER B 741 5.716 33.570 34.792 1.00 35.80 O ATOM 0 H SER B 741 5.253 30.332 35.654 1.00 25.71 H new ATOM 0 HA SER B 741 3.623 32.392 34.985 1.00 27.71 H new ATOM 0 HB2 SER B 741 6.235 31.804 34.179 1.00 30.78 H new ATOM 0 HB3 SER B 741 5.325 32.574 33.174 1.00 30.78 H new ATOM 0 HG SER B 741 5.080 34.105 34.669 1.00 35.80 H new ATOM 1876 N CYS B 742 2.564 31.318 33.005 1.00 25.29 N ATOM 1877 CA CYS B 742 1.888 30.638 31.917 1.00 23.28 C ATOM 1878 C CYS B 742 2.670 30.713 30.602 1.00 22.05 C ATOM 1879 O CYS B 742 3.601 31.503 30.449 1.00 20.51 O ATOM 1880 CB CYS B 742 0.516 31.272 31.726 1.00 22.89 C ATOM 1881 SG CYS B 742 0.370 32.777 30.758 1.00 24.44 S ATOM 0 H CYS B 742 2.223 32.082 33.202 1.00 25.29 H new ATOM 0 HA CYS B 742 1.812 29.700 32.152 1.00 23.28 H new ATOM 0 HB2 CYS B 742 -0.059 30.606 31.317 1.00 22.89 H new ATOM 0 HB3 CYS B 742 0.155 31.456 32.607 1.00 22.89 H new ATOM 1882 N ILE B 743 2.143 30.024 29.596 1.00 22.14 N ATOM 1883 CA ILE B 743 2.763 29.921 28.314 1.00 21.22 C ATOM 1884 C ILE B 743 2.756 31.240 27.533 1.00 22.46 C ATOM 1885 O ILE B 743 3.682 31.537 26.792 1.00 20.99 O ATOM 1886 CB ILE B 743 2.205 28.776 27.505 1.00 22.57 C ATOM 1887 CG1 ILE B 743 3.146 28.541 26.287 1.00 24.20 C ATOM 1888 CG2 ILE B 743 0.766 29.020 27.061 1.00 22.25 C ATOM 1889 CD1 ILE B 743 2.930 27.189 25.669 1.00 27.04 C ATOM 0 H ILE B 743 1.398 29.599 29.655 1.00 22.14 H new ATOM 0 HA ILE B 743 3.697 29.720 28.485 1.00 21.22 H new ATOM 0 HB ILE B 743 2.173 27.982 28.061 1.00 22.57 H new ATOM 0 HG12 ILE B 743 2.992 29.229 25.621 1.00 24.20 H new ATOM 0 HG13 ILE B 743 4.070 28.623 26.571 1.00 24.20 H new ATOM 0 HG21 ILE B 743 0.453 28.260 26.546 1.00 22.25 H new ATOM 0 HG22 ILE B 743 0.202 29.136 27.841 1.00 22.25 H new ATOM 0 HG23 ILE B 743 0.727 29.819 26.513 1.00 22.25 H new ATOM 0 HD11 ILE B 743 3.531 27.078 24.916 1.00 27.04 H new ATOM 0 HD12 ILE B 743 3.107 26.500 26.328 1.00 27.04 H new ATOM 0 HD13 ILE B 743 2.012 27.116 25.363 1.00 27.04 H new ATOM 1890 N PHE B 744 1.714 32.056 27.701 1.00 23.05 N ATOM 1891 CA PHE B 744 1.706 33.375 27.041 1.00 20.80 C ATOM 1892 C PHE B 744 2.909 34.199 27.508 1.00 23.52 C ATOM 1893 O PHE B 744 3.604 34.814 26.710 1.00 25.24 O ATOM 1894 CB PHE B 744 0.396 34.157 27.351 1.00 24.23 C ATOM 1895 CG PHE B 744 -0.848 33.576 26.741 1.00 22.34 C ATOM 1896 CD1 PHE B 744 -1.479 32.456 27.256 1.00 23.71 C ATOM 1897 CD2 PHE B 744 -1.351 34.112 25.570 1.00 22.92 C ATOM 1898 CE1 PHE B 744 -2.596 31.895 26.612 1.00 21.25 C ATOM 1899 CE2 PHE B 744 -2.487 33.596 24.962 1.00 23.61 C ATOM 1900 CZ PHE B 744 -3.128 32.499 25.499 1.00 21.63 C ATOM 0 H PHE B 744 1.020 31.878 28.176 1.00 23.05 H new ATOM 0 HA PHE B 744 1.757 33.228 26.084 1.00 20.80 H new ATOM 0 HB2 PHE B 744 0.280 34.198 28.313 1.00 24.23 H new ATOM 0 HB3 PHE B 744 0.498 35.069 27.038 1.00 24.23 H new ATOM 0 HD1 PHE B 744 -1.159 32.069 28.039 1.00 23.71 H new ATOM 0 HD2 PHE B 744 -0.917 34.836 25.180 1.00 22.92 H new ATOM 0 HE1 PHE B 744 -2.976 31.112 26.941 1.00 21.25 H new ATOM 0 HE2 PHE B 744 -2.818 33.992 24.188 1.00 23.61 H new ATOM 0 HZ PHE B 744 -3.909 32.173 25.113 1.00 21.63 H new ATOM 1901 N CYS B 745 3.122 34.227 28.814 1.00 23.68 N ATOM 1902 CA CYS B 745 4.244 34.905 29.425 1.00 26.64 C ATOM 1903 C CYS B 745 5.627 34.345 29.014 1.00 28.68 C ATOM 1904 O CYS B 745 6.547 35.100 28.708 1.00 26.71 O ATOM 1905 CB CYS B 745 4.100 34.853 30.933 1.00 28.36 C ATOM 1906 SG CYS B 745 2.738 35.896 31.546 1.00 32.06 S ATOM 0 H CYS B 745 2.603 33.842 29.381 1.00 23.68 H new ATOM 0 HA CYS B 745 4.220 35.819 29.101 1.00 26.64 H new ATOM 0 HB2 CYS B 745 3.949 33.935 31.208 1.00 28.36 H new ATOM 0 HB3 CYS B 745 4.931 35.139 31.344 1.00 28.36 H new ATOM 1907 N ARG B 746 5.761 33.030 29.018 1.00 24.91 N ATOM 1908 CA ARG B 746 6.995 32.377 28.538 1.00 24.60 C ATOM 1909 C ARG B 746 7.368 32.631 27.091 1.00 25.94 C ATOM 1910 O ARG B 746 8.544 32.750 26.785 1.00 26.81 O ATOM 1911 CB ARG B 746 6.923 30.864 28.810 1.00 26.89 C ATOM 1912 CG ARG B 746 7.030 30.581 30.292 1.00 28.02 C ATOM 1913 CD ARG B 746 6.675 29.157 30.631 1.00 30.55 C ATOM 1914 NE ARG B 746 7.641 28.197 30.100 1.00 30.81 N ATOM 1915 CZ ARG B 746 7.492 26.868 30.112 1.00 29.41 C ATOM 1916 NH1 ARG B 746 6.362 26.289 30.547 1.00 29.37 N ATOM 1917 NH2 ARG B 746 8.508 26.121 29.657 1.00 31.90 N ATOM 0 H ARG B 746 5.154 32.486 29.293 1.00 24.91 H new ATOM 0 HA ARG B 746 7.708 32.795 29.045 1.00 24.60 H new ATOM 0 HB2 ARG B 746 6.088 30.509 28.468 1.00 26.89 H new ATOM 0 HB3 ARG B 746 7.639 30.411 28.337 1.00 26.89 H new ATOM 0 HG2 ARG B 746 7.934 30.766 30.590 1.00 28.02 H new ATOM 0 HG3 ARG B 746 6.443 31.182 30.777 1.00 28.02 H new ATOM 0 HD2 ARG B 746 6.624 29.060 31.595 1.00 30.55 H new ATOM 0 HD3 ARG B 746 5.794 28.954 30.279 1.00 30.55 H new ATOM 0 HE ARG B 746 8.362 28.512 29.752 1.00 30.81 H new ATOM 0 HH11 ARG B 746 5.710 26.775 30.828 1.00 29.37 H new ATOM 0 HH12 ARG B 746 6.290 25.432 30.545 1.00 29.37 H new ATOM 0 HH21 ARG B 746 9.225 26.499 29.370 1.00 31.90 H new ATOM 0 HH22 ARG B 746 8.443 25.264 29.652 1.00 31.90 H new ATOM 1918 N ILE B 747 6.392 32.641 26.194 1.00 22.33 N ATOM 1919 CA ILE B 747 6.556 32.947 24.814 1.00 24.01 C ATOM 1920 C ILE B 747 6.940 34.421 24.644 1.00 28.69 C ATOM 1921 O ILE B 747 7.803 34.753 23.851 1.00 25.85 O ATOM 1922 CB ILE B 747 5.274 32.666 24.044 1.00 25.10 C ATOM 1923 CG1 ILE B 747 5.066 31.140 23.901 1.00 27.57 C ATOM 1924 CG2 ILE B 747 5.262 33.346 22.677 1.00 26.50 C ATOM 1925 CD1 ILE B 747 6.118 30.426 23.039 1.00 29.27 C ATOM 0 H ILE B 747 5.578 32.457 26.400 1.00 22.33 H new ATOM 0 HA ILE B 747 7.263 32.385 24.461 1.00 24.01 H new ATOM 0 HB ILE B 747 4.537 33.041 24.551 1.00 25.10 H new ATOM 0 HG12 ILE B 747 5.066 30.742 24.785 1.00 27.57 H new ATOM 0 HG13 ILE B 747 4.189 30.980 23.518 1.00 27.57 H new ATOM 0 HG21 ILE B 747 4.431 33.142 22.221 1.00 26.50 H new ATOM 0 HG22 ILE B 747 5.340 34.306 22.792 1.00 26.50 H new ATOM 0 HG23 ILE B 747 6.008 33.023 22.148 1.00 26.50 H new ATOM 0 HD11 ILE B 747 5.916 29.478 23.001 1.00 29.27 H new ATOM 0 HD12 ILE B 747 6.106 30.795 22.142 1.00 29.27 H new ATOM 0 HD13 ILE B 747 6.997 30.553 23.429 1.00 29.27 H new ATOM 1926 N LYS B 748 6.287 35.300 25.369 1.00 29.04 N ATOM 1927 CA LYS B 748 6.654 36.731 25.327 1.00 35.16 C ATOM 1928 C LYS B 748 8.110 36.981 25.764 1.00 31.80 C ATOM 1929 O LYS B 748 8.811 37.788 25.150 1.00 28.16 O ATOM 1930 CB LYS B 748 5.690 37.542 26.192 1.00 39.17 C ATOM 1931 CG LYS B 748 5.886 39.061 26.017 1.00 50.03 C ATOM 1932 CD LYS B 748 4.840 39.856 26.788 1.00 58.28 C ATOM 1933 CE LYS B 748 4.946 39.594 28.287 1.00 62.37 C ATOM 1934 NZ LYS B 748 4.234 40.650 29.068 1.00 75.12 N ATOM 0 H LYS B 748 5.632 35.109 25.893 1.00 29.04 H new ATOM 0 HA LYS B 748 6.585 37.020 24.404 1.00 35.16 H new ATOM 0 HB2 LYS B 748 4.777 37.307 25.963 1.00 39.17 H new ATOM 0 HB3 LYS B 748 5.818 37.306 27.124 1.00 39.17 H new ATOM 0 HG2 LYS B 748 6.772 39.311 26.322 1.00 50.03 H new ATOM 0 HG3 LYS B 748 5.836 39.288 25.075 1.00 50.03 H new ATOM 0 HD2 LYS B 748 4.956 40.803 26.613 1.00 58.28 H new ATOM 0 HD3 LYS B 748 3.953 39.616 26.477 1.00 58.28 H new ATOM 0 HE2 LYS B 748 4.569 38.725 28.494 1.00 62.37 H new ATOM 0 HE3 LYS B 748 5.880 39.568 28.549 1.00 62.37 H new ATOM 0 HZ1 LYS B 748 4.309 40.477 29.938 1.00 75.12 H new ATOM 0 HZ2 LYS B 748 4.595 41.444 28.891 1.00 75.12 H new ATOM 0 HZ3 LYS B 748 3.374 40.658 28.841 1.00 75.12 H new ATOM 1935 N THR B 749 8.540 36.321 26.833 1.00 30.52 N ATOM 1936 CA THR B 749 9.916 36.387 27.287 1.00 32.77 C ATOM 1937 C THR B 749 10.925 36.013 26.186 1.00 37.31 C ATOM 1938 O THR B 749 11.882 36.744 25.962 1.00 39.79 O ATOM 1939 CB THR B 749 10.143 35.551 28.551 1.00 33.90 C ATOM 1940 OG1 THR B 749 9.447 36.159 29.649 1.00 36.07 O ATOM 1941 CG2 THR B 749 11.594 35.527 28.907 1.00 36.53 C ATOM 0 H THR B 749 8.035 35.820 27.316 1.00 30.52 H new ATOM 0 HA THR B 749 10.078 37.316 27.513 1.00 32.77 H new ATOM 0 HB THR B 749 9.824 34.651 28.382 1.00 33.90 H new ATOM 0 HG1 THR B 749 8.628 35.982 29.594 1.00 36.07 H new ATOM 0 HG21 THR B 749 11.722 34.995 29.708 1.00 36.53 H new ATOM 0 HG22 THR B 749 12.100 35.138 28.177 1.00 36.53 H new ATOM 0 HG23 THR B 749 11.903 36.432 29.068 1.00 36.53 H new ATOM 1942 N ILE B 750 10.656 34.943 25.462 1.00 32.48 N ATOM 1943 CA ILE B 750 11.416 34.559 24.276 1.00 35.28 C ATOM 1944 C ILE B 750 11.367 35.556 23.122 1.00 37.82 C ATOM 1945 O ILE B 750 12.392 35.794 22.460 1.00 37.29 O ATOM 1946 CB ILE B 750 10.932 33.184 23.738 1.00 34.76 C ATOM 1947 CG1 ILE B 750 11.251 32.103 24.759 1.00 37.87 C ATOM 1948 CG2 ILE B 750 11.547 32.869 22.370 1.00 34.94 C ATOM 1949 CD1 ILE B 750 10.557 30.795 24.468 1.00 39.67 C ATOM 0 H ILE B 750 10.012 34.403 25.646 1.00 32.48 H new ATOM 0 HA ILE B 750 12.335 34.525 24.585 1.00 35.28 H new ATOM 0 HB ILE B 750 9.971 33.217 23.608 1.00 34.76 H new ATOM 0 HG12 ILE B 750 12.210 31.957 24.780 1.00 37.87 H new ATOM 0 HG13 ILE B 750 10.992 32.412 25.641 1.00 37.87 H new ATOM 0 HG21 ILE B 750 11.227 32.007 22.062 1.00 34.94 H new ATOM 0 HG22 ILE B 750 11.291 33.555 21.734 1.00 34.94 H new ATOM 0 HG23 ILE B 750 12.514 32.845 22.447 1.00 34.94 H new ATOM 0 HD11 ILE B 750 10.795 30.144 25.147 1.00 39.67 H new ATOM 0 HD12 ILE B 750 9.596 30.930 24.472 1.00 39.67 H new ATOM 0 HD13 ILE B 750 10.833 30.469 23.597 1.00 39.67 H new ATOM 1950 N GLN B 751 10.192 36.093 22.827 1.00 34.16 N ATOM 1951 CA GLN B 751 10.054 37.066 21.748 1.00 37.74 C ATOM 1952 C GLN B 751 10.837 38.363 22.014 1.00 33.23 C ATOM 1953 O GLN B 751 11.380 38.956 21.106 1.00 40.59 O ATOM 1954 CB GLN B 751 8.578 37.360 21.453 1.00 38.97 C ATOM 1955 CG GLN B 751 7.884 36.116 20.867 1.00 46.87 C ATOM 1956 CD GLN B 751 6.363 36.270 20.618 1.00 49.11 C ATOM 1957 OE1 GLN B 751 5.660 37.069 21.268 1.00 45.99 O ATOM 1958 NE2 GLN B 751 5.859 35.480 19.676 1.00 51.68 N ATOM 0 H GLN B 751 9.460 35.909 23.239 1.00 34.16 H new ATOM 0 HA GLN B 751 10.447 36.662 20.959 1.00 37.74 H new ATOM 0 HB2 GLN B 751 8.128 37.634 22.268 1.00 38.97 H new ATOM 0 HB3 GLN B 751 8.509 38.099 20.829 1.00 38.97 H new ATOM 0 HG2 GLN B 751 8.314 35.888 20.028 1.00 46.87 H new ATOM 0 HG3 GLN B 751 8.025 35.370 21.470 1.00 46.87 H new ATOM 0 HE21 GLN B 751 6.373 34.940 19.247 1.00 51.68 H new ATOM 0 HE22 GLN B 751 5.019 35.508 19.495 1.00 51.68 H new ATOM 1959 N GLU B 752 10.898 38.766 23.266 1.00 38.89 N ATOM 1960 CA GLU B 752 11.480 40.048 23.666 1.00 40.81 C ATOM 1961 C GLU B 752 12.986 39.987 23.889 1.00 48.23 C ATOM 1962 O GLU B 752 13.574 41.060 24.141 1.00 42.45 O ATOM 1963 CB GLU B 752 10.823 40.542 24.950 1.00 45.77 C ATOM 1964 CG GLU B 752 9.412 41.019 24.673 1.00 49.09 C ATOM 1965 CD GLU B 752 8.623 41.333 25.910 1.00 61.07 C ATOM 1966 OE1 GLU B 752 9.056 40.987 27.055 1.00 59.43 O ATOM 1967 OE2 GLU B 752 7.534 41.914 25.701 1.00 73.34 O ATOM 0 H GLU B 752 10.600 38.301 23.925 1.00 38.89 H new ATOM 0 HA GLU B 752 11.315 40.657 22.930 1.00 40.81 H new ATOM 0 HB2 GLU B 752 10.806 39.828 25.607 1.00 45.77 H new ATOM 0 HB3 GLU B 752 11.346 41.265 25.330 1.00 45.77 H new ATOM 0 HG2 GLU B 752 9.452 41.812 24.115 1.00 49.09 H new ATOM 0 HG3 GLU B 752 8.944 40.338 24.165 1.00 49.09 H new ATOM 1968 N ARG B 753 13.602 38.784 23.807 1.00 40.41 N ATOM 1969 CA ARG B 753 15.000 38.593 24.163 1.00 39.56 C ATOM 1970 C ARG B 753 15.950 39.429 23.268 1.00 44.09 C ATOM 1971 O ARG B 753 16.790 40.229 23.756 1.00 37.93 O ATOM 1972 CB ARG B 753 15.384 37.120 24.079 1.00 38.81 C ATOM 1973 CG ARG B 753 16.756 36.817 24.637 1.00 39.15 C ATOM 1974 CD ARG B 753 17.013 35.330 24.765 1.00 43.00 C ATOM 1975 NE ARG B 753 16.611 34.607 23.546 1.00 42.81 N ATOM 1976 CZ ARG B 753 15.805 33.533 23.490 1.00 45.01 C ATOM 1977 NH1 ARG B 753 15.294 32.930 24.597 1.00 39.83 N ATOM 1978 NH2 ARG B 753 15.566 33.013 22.304 1.00 42.18 N ATOM 0 H ARG B 753 13.208 38.067 23.542 1.00 40.41 H new ATOM 0 HA ARG B 753 15.100 38.901 25.077 1.00 39.56 H new ATOM 0 HB2 ARG B 753 14.725 36.594 24.559 1.00 38.81 H new ATOM 0 HB3 ARG B 753 15.351 36.838 23.152 1.00 38.81 H new ATOM 0 HG2 ARG B 753 17.430 37.211 24.062 1.00 39.15 H new ATOM 0 HG3 ARG B 753 16.847 37.234 25.508 1.00 39.15 H new ATOM 0 HD2 ARG B 753 17.955 35.177 24.938 1.00 43.00 H new ATOM 0 HD3 ARG B 753 16.524 34.980 25.526 1.00 43.00 H new ATOM 0 HE ARG B 753 16.922 34.900 22.799 1.00 42.81 H new ATOM 0 HH11 ARG B 753 15.483 33.235 25.379 1.00 39.83 H new ATOM 0 HH12 ARG B 753 14.782 32.244 24.515 1.00 39.83 H new ATOM 0 HH21 ARG B 753 15.921 33.361 21.602 1.00 42.18 H new ATOM 0 HH22 ARG B 753 15.055 32.325 22.231 1.00 42.18 H new ATOM 1979 N CYS B 754 15.792 39.228 21.966 1.00 49.06 N ATOM 1980 CA CYS B 754 16.508 39.987 20.932 1.00 50.77 C ATOM 1981 C CYS B 754 15.612 40.004 19.691 1.00 56.59 C ATOM 1982 O CYS B 754 15.688 39.083 18.865 1.00 57.86 O ATOM 1983 CB CYS B 754 17.889 39.393 20.578 1.00 48.10 C ATOM 1984 SG CYS B 754 18.911 40.620 19.667 1.00 46.24 S ATOM 0 H CYS B 754 15.256 38.636 21.646 1.00 49.06 H new ATOM 0 HA CYS B 754 16.687 40.879 21.269 1.00 50.77 H new ATOM 0 HB2 CYS B 754 18.347 39.122 21.389 1.00 48.10 H new ATOM 0 HB3 CYS B 754 17.774 38.596 20.037 1.00 48.10 H new ATOM 0 HG CYS B 754 19.978 40.137 19.405 1.00 46.24 H new ATOM 1985 N PRO B 755 14.748 41.031 19.582 1.00 64.27 N ATOM 1986 CA PRO B 755 13.860 41.053 18.439 1.00 72.52 C ATOM 1987 C PRO B 755 14.618 41.211 17.107 1.00 79.28 C ATOM 1988 O PRO B 755 15.115 42.280 16.813 1.00 69.38 O ATOM 1989 CB PRO B 755 12.908 42.239 18.743 1.00 74.82 C ATOM 1990 CG PRO B 755 13.017 42.461 20.217 1.00 74.26 C ATOM 1991 CD PRO B 755 14.430 42.106 20.547 1.00 69.99 C ATOM 0 HA PRO B 755 13.379 40.219 18.321 1.00 72.52 H new ATOM 0 HB2 PRO B 755 13.168 43.032 18.249 1.00 74.82 H new ATOM 0 HB3 PRO B 755 11.996 42.031 18.486 1.00 74.82 H new ATOM 0 HG2 PRO B 755 12.821 43.382 20.451 1.00 74.26 H new ATOM 0 HG3 PRO B 755 12.390 41.905 20.705 1.00 74.26 H new ATOM 0 HD2 PRO B 755 15.023 42.866 20.443 1.00 69.99 H new ATOM 0 HD3 PRO B 755 14.517 41.801 21.464 1.00 69.99 H new ATOM 1992 N GLU B 756 14.798 40.097 16.392 1.00 97.40 N ATOM 1993 CA GLU B 756 14.794 40.089 14.931 1.00104.24 C ATOM 1994 C GLU B 756 13.292 39.969 14.669 1.00122.30 C ATOM 1995 O GLU B 756 12.696 38.950 15.034 1.00129.92 O ATOM 1996 CB GLU B 756 15.559 38.882 14.366 1.00 92.11 C ATOM 0 H GLU B 756 14.926 39.323 16.745 1.00 97.40 H new ATOM 0 HA GLU B 756 15.224 40.855 14.520 1.00104.24 H new ATOM 1997 N SER B 757 12.685 41.020 14.095 1.00132.16 N ATOM 1998 CA SER B 757 11.207 41.211 14.052 1.00138.32 C ATOM 1999 C SER B 757 10.450 40.073 13.341 1.00143.67 C ATOM 2000 O SER B 757 11.056 39.046 13.028 1.00161.22 O ATOM 2001 CB SER B 757 10.882 42.555 13.378 1.00137.07 C ATOM 0 H SER B 757 13.120 41.655 13.712 1.00132.16 H new ATOM 0 HA SER B 757 10.902 41.204 14.973 1.00138.32 H new ATOM 2002 N GLN B 758 9.152 40.231 13.048 1.00135.82 N ATOM 2003 CA GLN B 758 8.466 39.277 12.148 1.00125.61 C ATOM 2004 C GLN B 758 9.035 39.398 10.711 1.00124.50 C ATOM 2005 O GLN B 758 8.297 39.254 9.731 1.00117.80 O ATOM 2006 CB GLN B 758 6.944 39.471 12.173 1.00116.43 C ATOM 0 H GLN B 758 8.657 40.867 13.349 1.00135.82 H new ATOM 0 HA GLN B 758 8.637 38.378 12.469 1.00125.61 H new ATOM 2007 N SER B 759 10.371 39.550 10.626 1.00121.41 N ATOM 2008 CA SER B 759 11.122 40.027 9.454 1.00116.19 C ATOM 2009 C SER B 759 11.134 38.991 8.328 1.00108.64 C ATOM 2010 O SER B 759 11.573 39.287 7.210 1.00121.06 O ATOM 2011 CB SER B 759 12.568 40.386 9.852 1.00106.59 C ATOM 0 H SER B 759 10.887 39.366 11.289 1.00121.41 H new ATOM 0 HA SER B 759 10.672 40.821 9.125 1.00116.19 H new ATOM 2012 N GLY B 760 10.688 37.774 8.645 1.00 80.29 N ATOM 2013 CA GLY B 760 10.276 36.808 7.651 1.00 71.42 C ATOM 2014 C GLY B 760 11.127 35.577 7.802 1.00 67.30 C ATOM 2015 O GLY B 760 12.345 35.687 7.919 1.00 66.51 O ATOM 0 H GLY B 760 10.619 37.492 9.454 1.00 80.29 H new ATOM 0 HA2 GLY B 760 9.339 36.586 7.765 1.00 71.42 H new ATOM 0 HA3 GLY B 760 10.374 37.178 6.760 1.00 71.42 H new ATOM 2016 N HIS B 761 10.473 34.417 7.864 1.00 53.12 N ATOM 2017 CA HIS B 761 11.090 33.140 7.585 1.00 47.57 C ATOM 2018 C HIS B 761 10.198 32.427 6.591 1.00 46.95 C ATOM 2019 O HIS B 761 9.023 32.779 6.435 1.00 40.59 O ATOM 2020 CB HIS B 761 11.167 32.322 8.846 1.00 47.12 C ATOM 2021 CG HIS B 761 11.937 32.973 9.938 1.00 51.83 C ATOM 2022 ND1 HIS B 761 11.327 33.695 10.932 1.00 56.95 N ATOM 2023 CD2 HIS B 761 13.265 32.989 10.216 1.00 49.15 C ATOM 2024 CE1 HIS B 761 12.247 34.138 11.774 1.00 54.04 C ATOM 2025 NE2 HIS B 761 13.427 33.713 11.365 1.00 48.13 N ATOM 0 H HIS B 761 9.641 34.358 8.075 1.00 53.12 H new ATOM 0 HA HIS B 761 11.987 33.262 7.237 1.00 47.57 H new ATOM 0 HB2 HIS B 761 10.267 32.141 9.160 1.00 47.12 H new ATOM 0 HB3 HIS B 761 11.573 31.465 8.641 1.00 47.12 H new ATOM 0 HD1 HIS B 761 10.481 33.837 10.998 1.00 56.95 H new ATOM 0 HD2 HIS B 761 13.938 32.584 9.719 1.00 49.15 H new ATOM 0 HE1 HIS B 761 12.088 34.661 12.527 1.00 54.04 H new ATOM 2026 N GLN B 762 10.755 31.446 5.890 1.00 40.21 N ATOM 2027 CA GLN B 762 10.012 30.704 4.916 1.00 41.03 C ATOM 2028 C GLN B 762 9.441 29.503 5.625 1.00 40.55 C ATOM 2029 O GLN B 762 10.095 28.967 6.518 1.00 43.33 O ATOM 2030 CB GLN B 762 10.920 30.192 3.802 1.00 51.19 C ATOM 2031 CG GLN B 762 11.932 31.208 3.307 1.00 59.52 C ATOM 2032 CD GLN B 762 11.300 32.568 3.135 1.00 69.68 C ATOM 2033 OE1 GLN B 762 10.310 32.708 2.397 1.00 75.68 O ATOM 2034 NE2 GLN B 762 11.826 33.574 3.850 1.00 79.89 N ATOM 0 H GLN B 762 11.575 31.201 5.974 1.00 40.21 H new ATOM 0 HA GLN B 762 9.330 31.274 4.526 1.00 41.03 H new ATOM 0 HB2 GLN B 762 11.394 29.407 4.120 1.00 51.19 H new ATOM 0 HB3 GLN B 762 10.370 29.908 3.055 1.00 51.19 H new ATOM 0 HG2 GLN B 762 12.668 31.268 3.936 1.00 59.52 H new ATOM 0 HG3 GLN B 762 12.304 30.912 2.462 1.00 59.52 H new ATOM 0 HE21 GLN B 762 12.512 33.434 4.349 1.00 79.89 H new ATOM 0 HE22 GLN B 762 11.477 34.359 3.809 1.00 79.89 H new ATOM 2035 N GLU B 763 8.270 29.054 5.200 1.00 40.30 N ATOM 2036 CA GLU B 763 7.618 27.917 5.833 1.00 39.33 C ATOM 2037 C GLU B 763 8.528 26.681 5.760 1.00 39.89 C ATOM 2038 O GLU B 763 8.651 25.974 6.763 1.00 36.06 O ATOM 2039 CB GLU B 763 6.192 27.635 5.273 1.00 39.84 C ATOM 2040 CG GLU B 763 5.542 26.333 5.860 1.00 43.30 C ATOM 2041 CD GLU B 763 4.152 25.938 5.337 1.00 41.38 C ATOM 2042 OE1 GLU B 763 3.217 26.733 5.495 1.00 52.86 O ATOM 2043 OE2 GLU B 763 3.956 24.824 4.785 1.00 49.16 O ATOM 0 H GLU B 763 7.833 29.395 4.543 1.00 40.30 H new ATOM 0 HA GLU B 763 7.480 28.143 6.766 1.00 39.33 H new ATOM 0 HB2 GLU B 763 5.618 28.392 5.469 1.00 39.84 H new ATOM 0 HB3 GLU B 763 6.240 27.558 4.307 1.00 39.84 H new ATOM 0 HG2 GLU B 763 6.147 25.594 5.691 1.00 43.30 H new ATOM 0 HG3 GLU B 763 5.482 26.436 6.823 1.00 43.30 H new ATOM 2044 N SER B 764 9.169 26.427 4.607 1.00 35.46 N ATOM 2045 CA ASER B 764 9.955 25.189 4.424 0.71 36.85 C ATOM 2046 CA BSER B 764 9.982 25.208 4.410 0.29 35.08 C ATOM 2047 C SER B 764 11.101 25.098 5.420 1.00 32.46 C ATOM 2048 O SER B 764 11.388 24.022 5.897 1.00 38.05 O ATOM 2049 CB ASER B 764 10.504 25.072 2.971 0.71 40.62 C ATOM 2050 CB BSER B 764 10.575 25.122 2.982 0.29 35.69 C ATOM 2051 OG ASER B 764 11.399 26.132 2.700 0.71 38.83 O ATOM 2052 OG BSER B 764 9.903 24.130 2.246 0.29 33.14 O ATOM 0 H ASER B 764 9.163 26.951 3.925 0.71 35.46 H new ATOM 0 H BSER B 764 9.146 26.949 3.924 0.29 35.46 H new ATOM 0 HA ASER B 764 9.350 24.448 4.586 0.71 35.08 H new ATOM 0 HA BSER B 764 9.371 24.466 4.539 0.29 35.08 H new ATOM 0 HB2ASER B 764 10.956 24.221 2.856 0.71 35.69 H new ATOM 0 HB2BSER B 764 10.492 25.979 2.536 0.29 35.69 H new ATOM 0 HB3ASER B 764 9.769 25.091 2.338 0.71 35.69 H new ATOM 0 HB3BSER B 764 11.522 24.917 3.028 0.29 35.69 H new ATOM 0 HG ASER B 764 11.690 26.059 1.916 0.71 33.14 H new ATOM 0 HG BSER B 764 10.227 24.088 1.472 0.29 33.14 H new ATOM 2053 N GLU B 765 11.704 26.235 5.752 1.00 32.47 N ATOM 2054 CA GLU B 765 12.761 26.325 6.770 1.00 34.48 C ATOM 2055 C GLU B 765 12.233 26.000 8.169 1.00 35.75 C ATOM 2056 O GLU B 765 12.843 25.200 8.934 1.00 31.16 O ATOM 2057 CB GLU B 765 13.402 27.736 6.779 1.00 37.31 C ATOM 2058 CG GLU B 765 14.571 27.986 7.752 1.00 43.78 C ATOM 2059 CD GLU B 765 14.252 28.628 9.136 1.00 48.77 C ATOM 2060 OE1 GLU B 765 13.445 29.585 9.271 1.00 50.83 O ATOM 2061 OE2 GLU B 765 14.860 28.175 10.158 1.00 48.74 O ATOM 0 H GLU B 765 11.511 26.991 5.389 1.00 32.47 H new ATOM 0 HA GLU B 765 13.433 25.667 6.535 1.00 34.48 H new ATOM 0 HB2 GLU B 765 13.715 27.927 5.881 1.00 37.31 H new ATOM 0 HB3 GLU B 765 12.704 28.379 6.979 1.00 37.31 H new ATOM 0 HG2 GLU B 765 15.009 27.136 7.914 1.00 43.78 H new ATOM 0 HG3 GLU B 765 15.214 28.556 7.302 1.00 43.78 H new ATOM 2062 N VAL B 766 11.113 26.635 8.503 1.00 27.63 N ATOM 2063 CA VAL B 766 10.507 26.463 9.817 1.00 26.54 C ATOM 2064 C VAL B 766 10.151 25.007 10.065 1.00 22.48 C ATOM 2065 O VAL B 766 10.477 24.461 11.127 1.00 23.29 O ATOM 2066 CB VAL B 766 9.258 27.397 9.990 1.00 29.44 C ATOM 2067 CG1 VAL B 766 8.480 27.011 11.271 1.00 31.06 C ATOM 2068 CG2 VAL B 766 9.702 28.834 10.057 1.00 28.43 C ATOM 0 H VAL B 766 10.688 27.171 7.981 1.00 27.63 H new ATOM 0 HA VAL B 766 11.160 26.724 10.485 1.00 26.54 H new ATOM 0 HB VAL B 766 8.669 27.287 9.227 1.00 29.44 H new ATOM 0 HG11 VAL B 766 7.710 27.593 11.370 1.00 31.06 H new ATOM 0 HG12 VAL B 766 8.182 26.090 11.204 1.00 31.06 H new ATOM 0 HG13 VAL B 766 9.059 27.108 12.043 1.00 31.06 H new ATOM 0 HG21 VAL B 766 8.927 29.408 10.164 1.00 28.43 H new ATOM 0 HG22 VAL B 766 10.299 28.954 10.812 1.00 28.43 H new ATOM 0 HG23 VAL B 766 10.166 29.068 9.238 1.00 28.43 H new ATOM 2069 N LEU B 767 9.545 24.359 9.099 1.00 21.71 N ATOM 2070 CA LEU B 767 9.172 22.981 9.261 1.00 25.39 C ATOM 2071 C LEU B 767 10.343 22.036 9.526 1.00 26.32 C ATOM 2072 O LEU B 767 10.179 20.985 10.171 1.00 23.93 O ATOM 2073 CB LEU B 767 8.383 22.448 8.095 1.00 27.06 C ATOM 2074 CG LEU B 767 7.033 23.077 7.746 1.00 30.14 C ATOM 2075 CD1 LEU B 767 6.406 22.402 6.545 1.00 32.62 C ATOM 2076 CD2 LEU B 767 6.082 22.988 8.919 1.00 29.77 C ATOM 0 H LEU B 767 9.340 24.702 8.337 1.00 21.71 H new ATOM 0 HA LEU B 767 8.614 22.996 10.054 1.00 25.39 H new ATOM 0 HB2 LEU B 767 8.946 22.515 7.308 1.00 27.06 H new ATOM 0 HB3 LEU B 767 8.230 21.504 8.255 1.00 27.06 H new ATOM 0 HG LEU B 767 7.196 24.009 7.532 1.00 30.14 H new ATOM 0 HD11 LEU B 767 5.553 22.820 6.347 1.00 32.62 H new ATOM 0 HD12 LEU B 767 6.995 22.491 5.779 1.00 32.62 H new ATOM 0 HD13 LEU B 767 6.267 21.462 6.738 1.00 32.62 H new ATOM 0 HD21 LEU B 767 5.233 23.391 8.679 1.00 29.77 H new ATOM 0 HD22 LEU B 767 5.943 22.057 9.153 1.00 29.77 H new ATOM 0 HD23 LEU B 767 6.460 23.459 9.678 1.00 29.77 H new ATOM 2077 N MET B 768 11.532 22.435 9.083 1.00 29.37 N ATOM 2078 CA MET B 768 12.730 21.576 9.220 1.00 30.40 C ATOM 2079 C MET B 768 13.449 21.789 10.565 1.00 29.88 C ATOM 2080 O MET B 768 14.345 20.994 10.932 1.00 27.72 O ATOM 2081 CB MET B 768 13.673 21.819 8.000 1.00 36.23 C ATOM 2082 CG MET B 768 13.224 21.077 6.751 1.00 41.67 C ATOM 2083 SD MET B 768 12.898 19.318 7.103 1.00 61.47 S ATOM 2084 CE MET B 768 14.557 18.734 7.532 1.00 58.62 C ATOM 0 H MET B 768 11.676 23.192 8.701 1.00 29.37 H new ATOM 0 HA MET B 768 12.452 20.647 9.221 1.00 30.40 H new ATOM 0 HB2 MET B 768 13.711 22.770 7.810 1.00 36.23 H new ATOM 0 HB3 MET B 768 14.573 21.540 8.231 1.00 36.23 H new ATOM 0 HG2 MET B 768 12.422 21.492 6.397 1.00 41.67 H new ATOM 0 HG3 MET B 768 13.907 21.150 6.066 1.00 41.67 H new ATOM 0 HE1 MET B 768 14.515 17.800 7.792 1.00 58.62 H new ATOM 0 HE2 MET B 768 15.142 18.829 6.764 1.00 58.62 H new ATOM 0 HE3 MET B 768 14.904 19.259 8.270 1.00 58.62 H new ATOM 2085 N ARG B 769 13.009 22.785 11.347 1.00 23.06 N ATOM 2086 CA ARG B 769 13.569 22.977 12.667 1.00 26.77 C ATOM 2087 C ARG B 769 13.362 21.800 13.595 1.00 24.92 C ATOM 2088 O ARG B 769 12.240 21.227 13.656 1.00 23.29 O ATOM 2089 CB ARG B 769 13.002 24.199 13.319 1.00 29.50 C ATOM 2090 CG ARG B 769 13.420 25.466 12.592 1.00 35.36 C ATOM 2091 CD ARG B 769 13.005 26.667 13.398 1.00 36.74 C ATOM 2092 NE ARG B 769 13.098 27.850 12.576 1.00 42.17 N ATOM 2093 CZ ARG B 769 12.579 29.034 12.895 1.00 46.45 C ATOM 2094 NH1 ARG B 769 11.899 29.197 14.032 1.00 45.91 N ATOM 2095 NH2 ARG B 769 12.734 30.066 12.065 1.00 44.92 N ATOM 0 H ARG B 769 12.396 23.346 11.126 1.00 23.06 H new ATOM 0 HA ARG B 769 14.523 23.076 12.523 1.00 26.77 H new ATOM 0 HB2 ARG B 769 12.034 24.139 13.335 1.00 29.50 H new ATOM 0 HB3 ARG B 769 13.299 24.242 14.242 1.00 29.50 H new ATOM 0 HG2 ARG B 769 14.381 25.471 12.457 1.00 35.36 H new ATOM 0 HG3 ARG B 769 13.010 25.497 11.713 1.00 35.36 H new ATOM 0 HD2 ARG B 769 12.097 26.555 13.720 1.00 36.74 H new ATOM 0 HD3 ARG B 769 13.574 26.758 14.179 1.00 36.74 H new ATOM 0 HE ARG B 769 13.518 27.786 11.828 1.00 42.17 H new ATOM 0 HH11 ARG B 769 11.792 28.533 14.568 1.00 45.91 H new ATOM 0 HH12 ARG B 769 11.568 29.966 14.229 1.00 45.91 H new ATOM 0 HH21 ARG B 769 13.167 29.965 11.329 1.00 44.92 H new ATOM 0 HH22 ARG B 769 12.401 30.833 12.266 1.00 44.92 H new ATOM 2096 N GLN B 770 14.426 21.433 14.325 1.00 24.08 N ATOM 2097 CA GLN B 770 14.317 20.376 15.309 1.00 25.70 C ATOM 2098 C GLN B 770 13.548 20.861 16.531 1.00 24.60 C ATOM 2099 O GLN B 770 13.577 22.044 16.885 1.00 21.58 O ATOM 2100 CB GLN B 770 15.729 19.816 15.686 1.00 27.42 C ATOM 2101 CG GLN B 770 16.386 19.188 14.457 1.00 31.67 C ATOM 2102 CD GLN B 770 17.747 18.598 14.735 1.00 38.12 C ATOM 2103 OE1 GLN B 770 18.140 18.458 15.856 1.00 38.01 O ATOM 2104 NE2 GLN B 770 18.442 18.224 13.700 1.00 45.32 N ATOM 0 H GLN B 770 15.207 21.786 14.258 1.00 24.08 H new ATOM 0 HA GLN B 770 13.815 19.642 14.922 1.00 25.70 H new ATOM 0 HB2 GLN B 770 16.287 20.530 16.031 1.00 27.42 H new ATOM 0 HB3 GLN B 770 15.646 19.155 16.391 1.00 27.42 H new ATOM 0 HG2 GLN B 770 15.806 18.493 14.109 1.00 31.67 H new ATOM 0 HG3 GLN B 770 16.469 19.862 13.764 1.00 31.67 H new ATOM 0 HE21 GLN B 770 18.129 18.340 12.907 1.00 45.32 H new ATOM 0 HE22 GLN B 770 19.214 17.861 13.809 1.00 45.32 H new ATOM 2105 N MET B 771 12.896 19.909 17.205 1.00 23.36 N ATOM 2106 CA MET B 771 12.118 20.206 18.398 1.00 24.06 C ATOM 2107 C MET B 771 12.932 20.346 19.672 1.00 22.88 C ATOM 2108 O MET B 771 12.697 19.667 20.680 1.00 22.38 O ATOM 2109 CB MET B 771 10.992 19.211 18.546 1.00 24.97 C ATOM 2110 CG MET B 771 9.985 19.278 17.443 1.00 26.45 C ATOM 2111 SD MET B 771 8.736 20.653 17.657 1.00 27.85 S ATOM 2112 CE MET B 771 7.508 19.729 18.509 1.00 26.98 C ATOM 0 H MET B 771 12.896 19.079 16.980 1.00 23.36 H new ATOM 0 HA MET B 771 11.745 21.091 18.264 1.00 24.06 H new ATOM 0 HB2 MET B 771 11.364 18.316 18.580 1.00 24.97 H new ATOM 0 HB3 MET B 771 10.544 19.365 19.393 1.00 24.97 H new ATOM 0 HG2 MET B 771 10.448 19.399 16.599 1.00 26.45 H new ATOM 0 HG3 MET B 771 9.516 18.430 17.390 1.00 26.45 H new ATOM 0 HE1 MET B 771 6.853 20.335 18.889 1.00 26.98 H new ATOM 0 HE2 MET B 771 7.069 19.126 17.889 1.00 26.98 H new ATOM 0 HE3 MET B 771 7.924 19.216 19.219 1.00 26.98 H new ATOM 2113 N LEU B 772 13.824 21.342 19.645 1.00 22.16 N ATOM 2114 CA LEU B 772 14.516 21.843 20.782 1.00 21.32 C ATOM 2115 C LEU B 772 13.492 22.494 21.746 1.00 23.42 C ATOM 2116 O LEU B 772 12.347 22.713 21.363 1.00 22.09 O ATOM 2117 CB LEU B 772 15.558 22.887 20.303 1.00 25.14 C ATOM 2118 CG LEU B 772 16.686 22.254 19.428 1.00 31.09 C ATOM 2119 CD1 LEU B 772 17.571 23.355 18.880 1.00 31.91 C ATOM 2120 CD2 LEU B 772 17.496 21.204 20.189 1.00 30.93 C ATOM 0 H LEU B 772 14.037 21.749 18.918 1.00 22.16 H new ATOM 0 HA LEU B 772 14.975 21.128 21.251 1.00 21.32 H new ATOM 0 HB2 LEU B 772 15.107 23.578 19.793 1.00 25.14 H new ATOM 0 HB3 LEU B 772 15.956 23.319 21.075 1.00 25.14 H new ATOM 0 HG LEU B 772 16.271 21.782 18.689 1.00 31.09 H new ATOM 0 HD11 LEU B 772 18.273 22.965 18.336 1.00 31.91 H new ATOM 0 HD12 LEU B 772 17.039 23.958 18.338 1.00 31.91 H new ATOM 0 HD13 LEU B 772 17.968 23.847 19.615 1.00 31.91 H new ATOM 0 HD21 LEU B 772 18.182 20.840 19.608 1.00 30.93 H new ATOM 0 HD22 LEU B 772 17.913 21.615 20.963 1.00 30.93 H new ATOM 0 HD23 LEU B 772 16.908 20.490 20.480 1.00 30.93 H new ATOM 2121 N PRO B 773 13.886 22.739 23.003 1.00 22.47 N ATOM 2122 CA PRO B 773 12.936 23.243 24.000 1.00 22.53 C ATOM 2123 C PRO B 773 12.100 24.473 23.572 1.00 22.75 C ATOM 2124 O PRO B 773 10.881 24.469 23.804 1.00 21.42 O ATOM 2125 CB PRO B 773 13.827 23.549 25.182 1.00 22.48 C ATOM 2126 CG PRO B 773 14.849 22.435 25.075 1.00 23.80 C ATOM 2127 CD PRO B 773 15.153 22.289 23.651 1.00 23.31 C ATOM 0 HA PRO B 773 12.240 22.590 24.174 1.00 22.53 H new ATOM 0 HB2 PRO B 773 14.234 24.427 25.116 1.00 22.48 H new ATOM 0 HB3 PRO B 773 13.343 23.523 26.022 1.00 22.48 H new ATOM 0 HG2 PRO B 773 15.649 22.651 25.579 1.00 23.80 H new ATOM 0 HG3 PRO B 773 14.498 21.608 25.440 1.00 23.80 H new ATOM 0 HD2 PRO B 773 15.909 22.836 23.385 1.00 23.31 H new ATOM 0 HD3 PRO B 773 15.371 21.372 23.420 1.00 23.31 H new ATOM 2128 N GLU B 774 12.711 25.479 22.915 1.00 24.54 N ATOM 2129 CA GLU B 774 11.896 26.621 22.455 1.00 27.05 C ATOM 2130 C GLU B 774 10.935 26.279 21.330 1.00 26.03 C ATOM 2131 O GLU B 774 9.810 26.846 21.268 1.00 23.04 O ATOM 2132 CB GLU B 774 12.777 27.876 22.115 1.00 28.42 C ATOM 2133 CG GLU B 774 13.316 28.509 23.415 1.00 32.53 C ATOM 2134 CD GLU B 774 14.171 29.789 23.276 1.00 40.26 C ATOM 2135 OE1 GLU B 774 14.369 30.317 22.171 1.00 36.08 O ATOM 2136 OE2 GLU B 774 14.641 30.271 24.328 1.00 38.36 O ATOM 0 H GLU B 774 13.551 25.520 22.734 1.00 24.54 H new ATOM 0 HA GLU B 774 11.334 26.855 23.211 1.00 27.05 H new ATOM 0 HB2 GLU B 774 13.516 27.617 21.542 1.00 28.42 H new ATOM 0 HB3 GLU B 774 12.251 28.526 21.623 1.00 28.42 H new ATOM 0 HG2 GLU B 774 12.559 28.714 23.986 1.00 32.53 H new ATOM 0 HG3 GLU B 774 13.847 27.841 23.877 1.00 32.53 H new ATOM 2137 N GLU B 775 11.331 25.437 20.382 1.00 24.38 N ATOM 2138 CA GLU B 775 10.424 25.066 19.331 1.00 24.69 C ATOM 2139 C GLU B 775 9.286 24.198 19.888 1.00 24.27 C ATOM 2140 O GLU B 775 8.152 24.301 19.442 1.00 23.22 O ATOM 2141 CB GLU B 775 11.077 24.384 18.097 1.00 29.41 C ATOM 2142 CG GLU B 775 12.305 25.090 17.503 1.00 39.82 C ATOM 2143 CD GLU B 775 12.121 26.567 17.134 1.00 53.78 C ATOM 2144 OE1 GLU B 775 11.082 26.956 16.544 1.00 54.39 O ATOM 2145 OE2 GLU B 775 13.063 27.345 17.390 1.00 54.95 O ATOM 0 H GLU B 775 12.112 25.079 20.337 1.00 24.38 H new ATOM 0 HA GLU B 775 10.075 25.906 18.993 1.00 24.69 H new ATOM 0 HB2 GLU B 775 11.335 23.483 18.347 1.00 29.41 H new ATOM 0 HB3 GLU B 775 10.405 24.304 17.402 1.00 29.41 H new ATOM 0 HG2 GLU B 775 13.034 25.023 18.140 1.00 39.82 H new ATOM 0 HG3 GLU B 775 12.579 24.608 16.707 1.00 39.82 H new ATOM 2146 N GLN B 776 9.579 23.361 20.859 1.00 20.56 N ATOM 2147 CA GLN B 776 8.559 22.472 21.477 1.00 21.54 C ATOM 2148 C GLN B 776 7.527 23.396 22.169 1.00 20.76 C ATOM 2149 O GLN B 776 6.331 23.217 22.076 1.00 19.24 O ATOM 2150 CB GLN B 776 9.292 21.570 22.500 1.00 21.66 C ATOM 2151 CG GLN B 776 8.434 20.746 23.451 1.00 23.42 C ATOM 2152 CD GLN B 776 7.866 19.482 22.856 1.00 24.10 C ATOM 2153 OE1 GLN B 776 8.389 18.921 21.911 1.00 24.02 O ATOM 2154 NE2 GLN B 776 6.782 19.019 23.447 1.00 23.27 N ATOM 0 H GLN B 776 10.367 23.276 21.193 1.00 20.56 H new ATOM 0 HA GLN B 776 8.103 21.905 20.836 1.00 21.54 H new ATOM 0 HB2 GLN B 776 9.863 20.960 22.007 1.00 21.66 H new ATOM 0 HB3 GLN B 776 9.874 22.134 23.034 1.00 21.66 H new ATOM 0 HG2 GLN B 776 8.967 20.512 24.227 1.00 23.42 H new ATOM 0 HG3 GLN B 776 7.701 21.298 23.766 1.00 23.42 H new ATOM 0 HE21 GLN B 776 6.441 19.443 24.113 1.00 23.27 H new ATOM 0 HE22 GLN B 776 6.416 18.293 23.167 1.00 23.27 H new ATOM 2155 N LEU B 777 8.022 24.416 22.882 1.00 20.97 N ATOM 2156 CA LEU B 777 7.129 25.386 23.520 1.00 22.24 C ATOM 2157 C LEU B 777 6.265 26.165 22.492 1.00 24.05 C ATOM 2158 O LEU B 777 5.069 26.357 22.717 1.00 22.69 O ATOM 2159 CB LEU B 777 7.871 26.352 24.387 1.00 22.59 C ATOM 2160 CG LEU B 777 7.048 27.189 25.343 1.00 27.11 C ATOM 2161 CD1 LEU B 777 6.540 26.350 26.518 1.00 29.20 C ATOM 2162 CD2 LEU B 777 7.896 28.351 25.903 1.00 30.50 C ATOM 0 H LEU B 777 8.861 24.561 23.006 1.00 20.97 H new ATOM 0 HA LEU B 777 6.535 24.861 24.080 1.00 22.24 H new ATOM 0 HB2 LEU B 777 8.521 25.853 24.906 1.00 22.59 H new ATOM 0 HB3 LEU B 777 8.368 26.953 23.811 1.00 22.59 H new ATOM 0 HG LEU B 777 6.290 27.536 24.846 1.00 27.11 H new ATOM 0 HD11 LEU B 777 6.017 26.910 27.113 1.00 29.20 H new ATOM 0 HD12 LEU B 777 5.986 25.627 26.184 1.00 29.20 H new ATOM 0 HD13 LEU B 777 7.295 25.980 27.002 1.00 29.20 H new ATOM 0 HD21 LEU B 777 7.358 28.879 26.513 1.00 30.50 H new ATOM 0 HD22 LEU B 777 8.664 27.993 26.376 1.00 30.50 H new ATOM 0 HD23 LEU B 777 8.200 28.912 25.172 1.00 30.50 H new ATOM 2163 N LYS B 778 6.856 26.568 21.380 1.00 20.95 N ATOM 2164 CA LYS B 778 6.082 27.251 20.339 1.00 21.61 C ATOM 2165 C LYS B 778 4.984 26.394 19.742 1.00 19.98 C ATOM 2166 O LYS B 778 3.863 26.884 19.494 1.00 20.97 O ATOM 2167 CB LYS B 778 7.000 27.854 19.268 1.00 23.48 C ATOM 2168 CG LYS B 778 7.783 29.015 19.773 1.00 25.69 C ATOM 2169 CD LYS B 778 8.810 29.468 18.726 1.00 31.39 C ATOM 2170 CE LYS B 778 9.394 30.775 19.169 1.00 40.39 C ATOM 2171 NZ LYS B 778 10.583 31.066 18.309 1.00 48.82 N ATOM 0 H LYS B 778 7.691 26.461 21.203 1.00 20.95 H new ATOM 0 HA LYS B 778 5.621 27.983 20.777 1.00 21.61 H new ATOM 0 HB2 LYS B 778 7.610 27.171 18.948 1.00 23.48 H new ATOM 0 HB3 LYS B 778 6.465 28.134 18.509 1.00 23.48 H new ATOM 0 HG2 LYS B 778 7.184 29.748 19.985 1.00 25.69 H new ATOM 0 HG3 LYS B 778 8.237 28.773 20.595 1.00 25.69 H new ATOM 0 HD2 LYS B 778 9.509 28.802 18.629 1.00 31.39 H new ATOM 0 HD3 LYS B 778 8.387 29.564 17.858 1.00 31.39 H new ATOM 0 HE2 LYS B 778 8.737 31.484 19.090 1.00 40.39 H new ATOM 0 HE3 LYS B 778 9.653 30.731 20.103 1.00 40.39 H new ATOM 0 HZ1 LYS B 778 10.946 31.840 18.556 1.00 48.82 H new ATOM 0 HZ2 LYS B 778 11.183 30.415 18.401 1.00 48.82 H new ATOM 0 HZ3 LYS B 778 10.329 31.116 17.458 1.00 48.82 H new ATOM 2172 N CYS B 779 5.207 25.100 19.577 1.00 17.82 N ATOM 2173 CA CYS B 779 4.182 24.216 19.118 1.00 18.98 C ATOM 2174 C CYS B 779 3.099 23.967 20.179 1.00 16.94 C ATOM 2175 O CYS B 779 1.922 23.848 19.790 1.00 16.85 O ATOM 2176 CB CYS B 779 4.734 22.850 18.665 1.00 20.74 C ATOM 2177 SG CYS B 779 5.815 22.951 17.187 1.00 25.25 S ATOM 0 H CYS B 779 5.962 24.719 19.731 1.00 17.82 H new ATOM 0 HA CYS B 779 3.789 24.672 18.357 1.00 18.98 H new ATOM 0 HB2 CYS B 779 5.233 22.453 19.396 1.00 20.74 H new ATOM 0 HB3 CYS B 779 3.991 22.256 18.473 1.00 20.74 H new ATOM 0 HG CYS B 779 6.756 22.219 17.328 1.00 25.25 H new ATOM 2178 N GLU B 780 3.505 23.857 21.459 1.00 18.05 N ATOM 2179 CA GLU B 780 2.554 23.753 22.574 1.00 18.36 C ATOM 2180 C GLU B 780 1.582 24.999 22.543 1.00 17.60 C ATOM 2181 O GLU B 780 0.367 24.874 22.725 1.00 17.85 O ATOM 2182 CB GLU B 780 3.263 23.649 23.893 1.00 19.90 C ATOM 2183 CG GLU B 780 3.837 22.251 24.091 1.00 21.52 C ATOM 2184 CD GLU B 780 4.903 22.065 25.133 1.00 26.69 C ATOM 2185 OE1 GLU B 780 5.358 23.114 25.640 1.00 29.82 O ATOM 2186 OE2 GLU B 780 5.334 20.830 25.449 1.00 29.84 O ATOM 0 H GLU B 780 4.331 23.841 21.698 1.00 18.05 H new ATOM 0 HA GLU B 780 2.035 22.940 22.471 1.00 18.36 H new ATOM 0 HB2 GLU B 780 3.977 24.305 23.934 1.00 19.90 H new ATOM 0 HB3 GLU B 780 2.647 23.855 24.613 1.00 19.90 H new ATOM 0 HG2 GLU B 780 3.102 21.657 24.309 1.00 21.52 H new ATOM 0 HG3 GLU B 780 4.198 21.955 23.241 1.00 21.52 H new ATOM 2187 N PHE B 781 2.165 26.157 22.307 1.00 16.49 N ATOM 2188 CA PHE B 781 1.428 27.423 22.335 1.00 18.37 C ATOM 2189 C PHE B 781 0.488 27.471 21.178 1.00 18.01 C ATOM 2190 O PHE B 781 -0.707 27.817 21.316 1.00 16.86 O ATOM 2191 CB PHE B 781 2.390 28.577 22.327 1.00 21.41 C ATOM 2192 CG PHE B 781 1.727 29.923 22.468 1.00 21.26 C ATOM 2193 CD1 PHE B 781 0.831 30.147 23.517 1.00 23.09 C ATOM 2194 CD2 PHE B 781 2.020 30.954 21.576 1.00 22.60 C ATOM 2195 CE1 PHE B 781 0.197 31.419 23.696 1.00 23.54 C ATOM 2196 CE2 PHE B 781 1.444 32.216 21.767 1.00 27.37 C ATOM 2197 CZ PHE B 781 0.517 32.446 22.820 1.00 25.47 C ATOM 0 H PHE B 781 3.001 26.241 22.125 1.00 16.49 H new ATOM 0 HA PHE B 781 0.906 27.488 23.150 1.00 18.37 H new ATOM 0 HB2 PHE B 781 3.026 28.462 23.050 1.00 21.41 H new ATOM 0 HB3 PHE B 781 2.895 28.560 21.499 1.00 21.41 H new ATOM 0 HD1 PHE B 781 0.643 29.456 24.111 1.00 23.09 H new ATOM 0 HD2 PHE B 781 2.594 30.805 20.859 1.00 22.60 H new ATOM 0 HE1 PHE B 781 -0.415 31.553 24.383 1.00 23.54 H new ATOM 0 HE2 PHE B 781 1.671 32.914 21.196 1.00 27.37 H new ATOM 0 HZ PHE B 781 0.126 33.284 22.921 1.00 25.47 H new ATOM 2198 N LEU B 782 0.977 27.031 20.013 1.00 16.87 N ATOM 2199 CA LEU B 782 0.143 26.927 18.856 1.00 20.32 C ATOM 2200 C LEU B 782 -1.034 25.984 19.057 1.00 21.04 C ATOM 2201 O LEU B 782 -2.189 26.265 18.643 1.00 19.47 O ATOM 2202 CB LEU B 782 0.997 26.562 17.628 1.00 22.47 C ATOM 2203 CG LEU B 782 0.340 26.350 16.314 1.00 25.60 C ATOM 2204 CD1 LEU B 782 -0.654 27.495 15.914 1.00 29.54 C ATOM 2205 CD2 LEU B 782 1.511 26.237 15.333 1.00 27.76 C ATOM 0 H LEU B 782 1.794 26.792 19.890 1.00 16.87 H new ATOM 0 HA LEU B 782 -0.260 27.795 18.697 1.00 20.32 H new ATOM 0 HB2 LEU B 782 1.655 27.265 17.513 1.00 22.47 H new ATOM 0 HB3 LEU B 782 1.483 25.751 17.844 1.00 22.47 H new ATOM 0 HG LEU B 782 -0.225 25.562 16.324 1.00 25.60 H new ATOM 0 HD11 LEU B 782 -1.047 27.296 15.050 1.00 29.54 H new ATOM 0 HD12 LEU B 782 -1.356 27.562 16.580 1.00 29.54 H new ATOM 0 HD13 LEU B 782 -0.175 28.337 15.864 1.00 29.54 H new ATOM 0 HD21 LEU B 782 1.170 26.095 14.436 1.00 27.76 H new ATOM 0 HD22 LEU B 782 2.032 27.055 15.355 1.00 27.76 H new ATOM 0 HD23 LEU B 782 2.074 25.489 15.586 1.00 27.76 H new ATOM 2206 N LEU B 783 -0.769 24.831 19.624 1.00 18.39 N ATOM 2207 CA LEU B 783 -1.882 23.878 19.847 1.00 18.48 C ATOM 2208 C LEU B 783 -2.927 24.517 20.832 1.00 18.15 C ATOM 2209 O LEU B 783 -4.141 24.395 20.654 1.00 17.55 O ATOM 2210 CB LEU B 783 -1.319 22.575 20.455 1.00 17.49 C ATOM 2211 CG LEU B 783 -2.311 21.465 20.772 1.00 18.28 C ATOM 2212 CD1 LEU B 783 -3.143 21.086 19.570 1.00 19.90 C ATOM 2213 CD2 LEU B 783 -1.563 20.259 21.338 1.00 19.51 C ATOM 0 H LEU B 783 0.007 24.569 19.885 1.00 18.39 H new ATOM 0 HA LEU B 783 -2.319 23.679 19.004 1.00 18.48 H new ATOM 0 HB2 LEU B 783 -0.657 22.219 19.842 1.00 17.49 H new ATOM 0 HB3 LEU B 783 -0.853 22.803 21.274 1.00 17.49 H new ATOM 0 HG LEU B 783 -2.933 21.793 21.440 1.00 18.28 H new ATOM 0 HD11 LEU B 783 -3.760 20.378 19.813 1.00 19.90 H new ATOM 0 HD12 LEU B 783 -3.643 21.859 19.265 1.00 19.90 H new ATOM 0 HD13 LEU B 783 -2.561 20.777 18.858 1.00 19.90 H new ATOM 0 HD21 LEU B 783 -2.195 19.552 21.540 1.00 19.51 H new ATOM 0 HD22 LEU B 783 -0.920 19.941 20.685 1.00 19.51 H new ATOM 0 HD23 LEU B 783 -1.098 20.518 22.149 1.00 19.51 H new ATOM 2214 N LEU B 784 -2.416 25.204 21.865 1.00 19.50 N ATOM 2215 CA LEU B 784 -3.297 25.837 22.882 1.00 18.35 C ATOM 2216 C LEU B 784 -4.162 26.922 22.208 1.00 19.14 C ATOM 2217 O LEU B 784 -5.328 27.035 22.524 1.00 19.67 O ATOM 2218 CB LEU B 784 -2.528 26.425 24.010 1.00 19.46 C ATOM 2219 CG LEU B 784 -3.384 27.183 25.060 1.00 22.63 C ATOM 2220 CD1 LEU B 784 -2.799 26.959 26.434 1.00 25.36 C ATOM 2221 CD2 LEU B 784 -3.394 28.683 24.838 1.00 25.73 C ATOM 0 H LEU B 784 -1.574 25.318 22.000 1.00 19.50 H new ATOM 0 HA LEU B 784 -3.863 25.143 23.255 1.00 18.35 H new ATOM 0 HB2 LEU B 784 -2.043 25.715 24.459 1.00 19.46 H new ATOM 0 HB3 LEU B 784 -1.866 27.036 23.650 1.00 19.46 H new ATOM 0 HG LEU B 784 -4.288 26.841 24.976 1.00 22.63 H new ATOM 0 HD11 LEU B 784 -3.331 27.431 27.093 1.00 25.36 H new ATOM 0 HD12 LEU B 784 -2.802 26.010 26.636 1.00 25.36 H new ATOM 0 HD13 LEU B 784 -1.888 27.291 26.456 1.00 25.36 H new ATOM 0 HD21 LEU B 784 -3.941 29.107 25.518 1.00 25.73 H new ATOM 0 HD22 LEU B 784 -2.488 29.024 24.893 1.00 25.73 H new ATOM 0 HD23 LEU B 784 -3.760 28.878 23.961 1.00 25.73 H new ATOM 2222 N LYS B 785 -3.619 27.696 21.279 1.00 20.31 N ATOM 2223 CA LYS B 785 -4.427 28.682 20.481 1.00 20.70 C ATOM 2224 C LYS B 785 -5.553 28.050 19.732 1.00 19.54 C ATOM 2225 O LYS B 785 -6.634 28.620 19.625 1.00 20.33 O ATOM 2226 CB LYS B 785 -3.543 29.537 19.544 1.00 22.09 C ATOM 2227 CG LYS B 785 -2.545 30.435 20.257 1.00 26.36 C ATOM 2228 CD LYS B 785 -3.016 31.392 21.315 1.00 30.94 C ATOM 2229 CE LYS B 785 -4.036 32.373 20.814 1.00 36.76 C ATOM 2230 NZ LYS B 785 -3.501 33.424 19.949 1.00 43.96 N ATOM 0 H LYS B 785 -2.783 27.683 21.078 1.00 20.31 H new ATOM 0 HA LYS B 785 -4.828 29.277 21.134 1.00 20.70 H new ATOM 0 HB2 LYS B 785 -3.058 28.945 18.947 1.00 22.09 H new ATOM 0 HB3 LYS B 785 -4.118 30.088 18.991 1.00 22.09 H new ATOM 0 HG2 LYS B 785 -1.879 29.859 20.665 1.00 26.36 H new ATOM 0 HG3 LYS B 785 -2.090 30.957 19.578 1.00 26.36 H new ATOM 0 HD2 LYS B 785 -3.395 30.889 22.052 1.00 30.94 H new ATOM 0 HD3 LYS B 785 -2.253 31.878 21.666 1.00 30.94 H new ATOM 0 HE2 LYS B 785 -4.721 31.888 20.327 1.00 36.76 H new ATOM 0 HE3 LYS B 785 -4.469 32.788 21.576 1.00 36.76 H new ATOM 0 HZ1 LYS B 785 -4.121 34.050 19.823 1.00 43.96 H new ATOM 0 HZ2 LYS B 785 -2.786 33.789 20.333 1.00 43.96 H new ATOM 0 HZ3 LYS B 785 -3.270 33.074 19.164 1.00 43.96 H new ATOM 2231 N VAL B 786 -5.370 26.844 19.193 1.00 19.53 N ATOM 2232 CA VAL B 786 -6.465 26.175 18.535 1.00 18.65 C ATOM 2233 C VAL B 786 -7.558 25.777 19.534 1.00 19.72 C ATOM 2234 O VAL B 786 -8.767 25.934 19.254 1.00 20.31 O ATOM 2235 CB VAL B 786 -5.978 24.950 17.741 1.00 20.33 C ATOM 2236 CG1 VAL B 786 -7.111 24.098 17.258 1.00 20.37 C ATOM 2237 CG2 VAL B 786 -5.025 25.399 16.593 1.00 21.07 C ATOM 0 H VAL B 786 -4.628 26.410 19.202 1.00 19.53 H new ATOM 0 HA VAL B 786 -6.851 26.804 17.906 1.00 18.65 H new ATOM 0 HB VAL B 786 -5.469 24.382 18.340 1.00 20.33 H new ATOM 0 HG11 VAL B 786 -6.759 23.341 16.765 1.00 20.37 H new ATOM 0 HG12 VAL B 786 -7.623 23.779 18.018 1.00 20.37 H new ATOM 0 HG13 VAL B 786 -7.686 24.622 16.678 1.00 20.37 H new ATOM 0 HG21 VAL B 786 -4.724 24.620 16.099 1.00 21.07 H new ATOM 0 HG22 VAL B 786 -5.499 25.998 15.995 1.00 21.07 H new ATOM 0 HG23 VAL B 786 -4.258 25.859 16.970 1.00 21.07 H new ATOM 2238 N TYR B 787 -7.157 25.195 20.683 1.00 19.00 N ATOM 2239 CA TYR B 787 -8.115 24.796 21.746 1.00 18.10 C ATOM 2240 C TYR B 787 -8.878 26.015 22.314 1.00 18.55 C ATOM 2241 O TYR B 787 -10.026 25.821 22.784 1.00 23.59 O ATOM 2242 CB TYR B 787 -7.410 24.049 22.923 1.00 17.54 C ATOM 2243 CG TYR B 787 -7.157 22.585 22.754 1.00 19.32 C ATOM 2244 CD1 TYR B 787 -8.116 21.651 23.027 1.00 20.95 C ATOM 2245 CD2 TYR B 787 -5.899 22.097 22.429 1.00 20.99 C ATOM 2246 CE1 TYR B 787 -7.893 20.288 22.932 1.00 20.24 C ATOM 2247 CE2 TYR B 787 -5.677 20.760 22.348 1.00 19.67 C ATOM 2248 CZ TYR B 787 -6.631 19.856 22.637 1.00 20.87 C ATOM 2249 OH TYR B 787 -6.352 18.515 22.615 1.00 20.58 O ATOM 0 H TYR B 787 -6.335 25.022 20.868 1.00 19.00 H new ATOM 0 HA TYR B 787 -8.745 24.191 21.323 1.00 18.10 H new ATOM 0 HB2 TYR B 787 -6.558 24.484 23.087 1.00 17.54 H new ATOM 0 HB3 TYR B 787 -7.948 24.170 23.721 1.00 17.54 H new ATOM 0 HD1 TYR B 787 -8.959 21.945 23.289 1.00 20.95 H new ATOM 0 HD2 TYR B 787 -5.202 22.691 22.265 1.00 20.99 H new ATOM 0 HE1 TYR B 787 -8.585 19.681 23.066 1.00 20.24 H new ATOM 0 HE2 TYR B 787 -4.838 20.459 22.084 1.00 19.67 H new ATOM 0 HH TYR B 787 -6.991 18.090 22.956 1.00 20.58 H new ATOM 2250 N CYS B 788 -8.296 27.206 22.272 1.00 17.98 N ATOM 2251 CA CYS B 788 -8.967 28.454 22.694 1.00 21.35 C ATOM 2252 C CYS B 788 -10.205 28.813 21.857 1.00 24.63 C ATOM 2253 O CYS B 788 -11.079 29.507 22.341 1.00 26.18 O ATOM 2254 CB CYS B 788 -8.035 29.658 22.706 1.00 21.58 C ATOM 2255 SG CYS B 788 -6.798 29.639 23.995 1.00 25.87 S ATOM 0 H CYS B 788 -7.490 27.325 21.996 1.00 17.98 H new ATOM 0 HA CYS B 788 -9.254 28.256 23.599 1.00 21.35 H new ATOM 0 HB2 CYS B 788 -7.588 29.713 21.847 1.00 21.58 H new ATOM 0 HB3 CYS B 788 -8.569 30.463 22.800 1.00 21.58 H new ATOM 0 HG CYS B 788 -6.019 28.749 23.790 1.00 25.87 H new ATOM 2256 N ASP B 789 -10.295 28.304 20.637 1.00 22.79 N ATOM 2257 CA ASP B 789 -11.472 28.468 19.800 1.00 24.80 C ATOM 2258 C ASP B 789 -12.549 27.525 20.180 1.00 24.46 C ATOM 2259 O ASP B 789 -12.298 26.381 20.341 1.00 22.61 O ATOM 2260 CB ASP B 789 -11.147 28.305 18.301 1.00 27.03 C ATOM 2261 CG ASP B 789 -12.246 28.960 17.458 1.00 32.59 C ATOM 2262 OD1 ASP B 789 -13.339 28.367 17.332 1.00 30.44 O ATOM 2263 OD2 ASP B 789 -12.096 30.182 17.204 1.00 34.57 O ATOM 0 H ASP B 789 -9.666 27.848 20.268 1.00 22.79 H new ATOM 0 HA ASP B 789 -11.783 29.375 19.948 1.00 24.80 H new ATOM 0 HB2 ASP B 789 -10.289 28.711 18.101 1.00 27.03 H new ATOM 0 HB3 ASP B 789 -11.074 27.364 18.078 1.00 27.03 H new ATOM 2264 N SER B 790 -13.796 27.996 20.345 1.00 24.98 N ATOM 2265 CA SER B 790 -14.838 27.127 20.847 1.00 26.44 C ATOM 2266 C SER B 790 -15.149 26.015 19.829 1.00 25.45 C ATOM 2267 O SER B 790 -15.548 24.925 20.230 1.00 28.56 O ATOM 2268 CB SER B 790 -16.137 27.912 21.148 1.00 32.99 C ATOM 2269 OG SER B 790 -16.600 28.400 19.885 1.00 37.21 O ATOM 0 H SER B 790 -14.043 28.801 20.172 1.00 24.98 H new ATOM 0 HA SER B 790 -14.512 26.736 21.673 1.00 26.44 H new ATOM 0 HB2 SER B 790 -16.801 27.340 21.564 1.00 32.99 H new ATOM 0 HB3 SER B 790 -15.967 28.643 21.762 1.00 32.99 H new ATOM 0 HG SER B 790 -16.174 29.094 19.679 1.00 37.21 H new ATOM 2270 N LYS B 791 -14.904 26.255 18.533 1.00 21.53 N ATOM 2271 CA LYS B 791 -15.166 25.221 17.519 1.00 22.72 C ATOM 2272 C LYS B 791 -14.140 24.062 17.546 1.00 24.21 C ATOM 2273 O LYS B 791 -14.357 23.000 16.935 1.00 25.89 O ATOM 2274 CB LYS B 791 -15.099 25.896 16.172 1.00 25.35 C ATOM 2275 CG LYS B 791 -16.339 26.799 15.867 1.00 28.77 C ATOM 2276 CD LYS B 791 -16.021 27.788 14.727 1.00 34.06 C ATOM 2277 CE LYS B 791 -17.171 28.762 14.472 1.00 39.06 C ATOM 2278 NZ LYS B 791 -18.301 28.150 13.715 1.00 39.94 N ATOM 0 H LYS B 791 -14.592 26.995 18.225 1.00 21.53 H new ATOM 0 HA LYS B 791 -16.034 24.828 17.702 1.00 22.72 H new ATOM 0 HB2 LYS B 791 -14.295 26.437 16.128 1.00 25.35 H new ATOM 0 HB3 LYS B 791 -15.023 25.219 15.482 1.00 25.35 H new ATOM 0 HG2 LYS B 791 -17.096 26.245 15.620 1.00 28.77 H new ATOM 0 HG3 LYS B 791 -16.594 27.288 16.665 1.00 28.77 H new ATOM 0 HD2 LYS B 791 -15.219 28.287 14.948 1.00 34.06 H new ATOM 0 HD3 LYS B 791 -15.832 27.293 13.915 1.00 34.06 H new ATOM 0 HE2 LYS B 791 -17.501 29.094 15.322 1.00 39.06 H new ATOM 0 HE3 LYS B 791 -16.836 29.527 13.979 1.00 39.06 H new ATOM 0 HZ1 LYS B 791 -18.986 28.717 13.694 1.00 39.94 H new ATOM 0 HZ2 LYS B 791 -18.039 27.971 12.883 1.00 39.94 H new ATOM 0 HZ3 LYS B 791 -18.553 27.396 14.115 1.00 39.94 H new ATOM 2279 N SER B 792 -13.088 24.211 18.345 1.00 21.89 N ATOM 2280 CA SER B 792 -12.095 23.089 18.550 1.00 21.49 C ATOM 2281 C SER B 792 -12.756 21.871 19.143 1.00 23.85 C ATOM 2282 O SER B 792 -12.222 20.744 19.024 1.00 23.26 O ATOM 2283 CB SER B 792 -10.908 23.570 19.398 1.00 23.26 C ATOM 2284 OG SER B 792 -11.283 23.800 20.741 1.00 22.62 O ATOM 0 H SER B 792 -12.911 24.930 18.782 1.00 21.89 H new ATOM 0 HA SER B 792 -11.750 22.825 17.683 1.00 21.49 H new ATOM 0 HB2 SER B 792 -10.200 22.908 19.369 1.00 23.26 H new ATOM 0 HB3 SER B 792 -10.549 24.387 19.018 1.00 23.26 H new ATOM 0 HG SER B 792 -11.622 24.566 20.810 1.00 22.62 H new ATOM 2285 N CYS B 793 -13.960 22.017 19.727 1.00 24.34 N ATOM 2286 CA CYS B 793 -14.606 20.870 20.364 1.00 27.28 C ATOM 2287 C CYS B 793 -14.904 19.740 19.388 1.00 26.11 C ATOM 2288 O CYS B 793 -14.830 18.559 19.764 1.00 24.65 O ATOM 2289 CB CYS B 793 -15.914 21.278 21.131 1.00 32.39 C ATOM 2290 SG CYS B 793 -17.267 21.874 20.074 1.00 35.77 S ATOM 0 H CYS B 793 -14.403 22.753 19.762 1.00 24.34 H new ATOM 0 HA CYS B 793 -13.962 20.539 21.009 1.00 27.28 H new ATOM 0 HB2 CYS B 793 -16.229 20.512 21.636 1.00 32.39 H new ATOM 0 HB3 CYS B 793 -15.694 21.971 21.773 1.00 32.39 H new ATOM 0 HG CYS B 793 -18.214 22.155 20.756 1.00 35.77 H new ATOM 2291 N PHE B 794 -15.187 20.102 18.116 1.00 20.78 N ATOM 2292 CA PHE B 794 -15.465 19.157 17.117 1.00 19.86 C ATOM 2293 C PHE B 794 -14.282 18.261 16.758 1.00 20.86 C ATOM 2294 O PHE B 794 -14.482 17.215 16.176 1.00 22.94 O ATOM 2295 CB PHE B 794 -15.967 19.855 15.869 1.00 23.47 C ATOM 2296 CG PHE B 794 -17.311 20.588 16.047 1.00 21.33 C ATOM 2297 CD1 PHE B 794 -18.444 19.878 16.330 1.00 24.30 C ATOM 2298 CD2 PHE B 794 -17.375 21.980 15.939 1.00 23.40 C ATOM 2299 CE1 PHE B 794 -19.692 20.525 16.485 1.00 25.07 C ATOM 2300 CE2 PHE B 794 -18.604 22.635 16.104 1.00 25.61 C ATOM 2301 CZ PHE B 794 -19.755 21.900 16.404 1.00 21.61 C ATOM 0 H PHE B 794 -15.213 20.918 17.846 1.00 20.78 H new ATOM 0 HA PHE B 794 -16.148 18.575 17.486 1.00 19.86 H new ATOM 0 HB2 PHE B 794 -15.298 20.495 15.578 1.00 23.47 H new ATOM 0 HB3 PHE B 794 -16.060 19.199 15.160 1.00 23.47 H new ATOM 0 HD1 PHE B 794 -18.393 18.954 16.422 1.00 24.30 H new ATOM 0 HD2 PHE B 794 -16.605 22.470 15.758 1.00 23.40 H new ATOM 0 HE1 PHE B 794 -20.463 20.028 16.640 1.00 25.07 H new ATOM 0 HE2 PHE B 794 -18.654 23.559 16.014 1.00 25.61 H new ATOM 0 HZ PHE B 794 -20.562 22.338 16.549 1.00 21.61 H new ATOM 2302 N PHE B 795 -13.074 18.750 17.045 1.00 21.52 N ATOM 2303 CA PHE B 795 -11.824 18.121 16.601 1.00 19.84 C ATOM 2304 C PHE B 795 -10.987 17.549 17.752 1.00 22.00 C ATOM 2305 O PHE B 795 -9.881 17.074 17.477 1.00 22.41 O ATOM 2306 CB PHE B 795 -11.013 19.177 15.885 1.00 20.56 C ATOM 2307 CG PHE B 795 -11.744 19.761 14.709 1.00 23.84 C ATOM 2308 CD1 PHE B 795 -11.883 19.001 13.541 1.00 21.59 C ATOM 2309 CD2 PHE B 795 -12.355 20.990 14.783 1.00 24.49 C ATOM 2310 CE1 PHE B 795 -12.630 19.477 12.451 1.00 23.04 C ATOM 2311 CE2 PHE B 795 -13.089 21.473 13.679 1.00 24.05 C ATOM 2312 CZ PHE B 795 -13.216 20.724 12.529 1.00 22.88 C ATOM 0 H PHE B 795 -12.955 19.465 17.508 1.00 21.52 H new ATOM 0 HA PHE B 795 -12.053 17.373 16.027 1.00 19.84 H new ATOM 0 HB2 PHE B 795 -10.788 19.886 16.508 1.00 20.56 H new ATOM 0 HB3 PHE B 795 -10.177 18.789 15.583 1.00 20.56 H new ATOM 0 HD1 PHE B 795 -11.474 18.168 13.486 1.00 21.59 H new ATOM 0 HD2 PHE B 795 -12.285 21.501 15.557 1.00 24.49 H new ATOM 0 HE1 PHE B 795 -12.729 18.958 11.686 1.00 23.04 H new ATOM 0 HE2 PHE B 795 -13.493 22.309 13.728 1.00 24.05 H new ATOM 0 HZ PHE B 795 -13.696 21.059 11.806 1.00 22.88 H new ATOM 2313 N ALA B 796 -11.468 17.659 18.995 1.00 22.68 N ATOM 2314 CA ALA B 796 -10.671 17.326 20.226 1.00 22.86 C ATOM 2315 C ALA B 796 -10.555 15.845 20.446 1.00 22.11 C ATOM 2316 O ALA B 796 -9.455 15.385 20.689 1.00 22.08 O ATOM 2317 CB ALA B 796 -11.262 17.992 21.437 1.00 25.44 C ATOM 0 H ALA B 796 -12.267 17.928 19.166 1.00 22.68 H new ATOM 0 HA ALA B 796 -9.774 17.667 20.084 1.00 22.86 H new ATOM 0 HB1 ALA B 796 -10.736 17.766 22.220 1.00 25.44 H new ATOM 0 HB2 ALA B 796 -11.258 18.954 21.312 1.00 25.44 H new ATOM 0 HB3 ALA B 796 -12.174 17.686 21.562 1.00 25.44 H new ATOM 2318 N SER B 797 -11.654 15.089 20.299 1.00 22.82 N ATOM 2319 CA SER B 797 -11.722 13.671 20.565 1.00 26.43 C ATOM 2320 C SER B 797 -11.713 12.823 19.325 1.00 26.21 C ATOM 2321 O SER B 797 -11.823 13.338 18.235 1.00 26.24 O ATOM 2322 CB SER B 797 -13.025 13.354 21.360 1.00 30.83 C ATOM 2323 OG SER B 797 -12.911 14.001 22.583 1.00 41.13 O ATOM 0 H SER B 797 -12.403 15.415 20.030 1.00 22.82 H new ATOM 0 HA SER B 797 -10.925 13.453 21.074 1.00 26.43 H new ATOM 0 HB2 SER B 797 -13.807 13.664 20.878 1.00 30.83 H new ATOM 0 HB3 SER B 797 -13.129 12.398 21.484 1.00 30.83 H new ATOM 0 HG SER B 797 -13.599 13.855 23.043 1.00 41.13 H new ATOM 2324 N GLU B 798 -11.560 11.511 19.519 1.00 27.11 N ATOM 2325 CA GLU B 798 -11.501 10.534 18.414 1.00 30.66 C ATOM 2326 C GLU B 798 -12.827 10.581 17.612 1.00 37.87 C ATOM 2327 O GLU B 798 -13.911 10.416 18.181 1.00 37.74 O ATOM 2328 CB GLU B 798 -11.294 9.139 18.922 1.00 36.02 C ATOM 2329 CG GLU B 798 -11.048 8.106 17.848 1.00 42.37 C ATOM 2330 CD GLU B 798 -10.604 6.747 18.397 1.00 47.01 C ATOM 2331 OE1 GLU B 798 -10.173 5.932 17.596 1.00 57.42 O ATOM 2332 OE2 GLU B 798 -10.680 6.471 19.614 1.00 51.33 O ATOM 0 H GLU B 798 -11.487 11.156 20.299 1.00 27.11 H new ATOM 0 HA GLU B 798 -10.750 10.771 17.848 1.00 30.66 H new ATOM 0 HB2 GLU B 798 -10.540 9.139 19.533 1.00 36.02 H new ATOM 0 HB3 GLU B 798 -12.074 8.875 19.434 1.00 36.02 H new ATOM 0 HG2 GLU B 798 -11.860 7.988 17.331 1.00 42.37 H new ATOM 0 HG3 GLU B 798 -10.370 8.438 17.239 1.00 42.37 H new ATOM 2333 N PRO B 799 -12.751 10.874 16.312 1.00 38.50 N ATOM 2334 CA PRO B 799 -14.006 11.022 15.606 1.00 44.35 C ATOM 2335 C PRO B 799 -14.629 9.668 15.333 1.00 43.56 C ATOM 2336 O PRO B 799 -13.932 8.651 15.244 1.00 38.23 O ATOM 2337 CB PRO B 799 -13.621 11.749 14.307 1.00 49.10 C ATOM 2338 CG PRO B 799 -12.191 11.474 14.112 1.00 44.58 C ATOM 2339 CD PRO B 799 -11.587 11.132 15.451 1.00 41.46 C ATOM 0 HA PRO B 799 -14.671 11.515 16.112 1.00 44.35 H new ATOM 0 HB2 PRO B 799 -14.144 11.425 13.557 1.00 49.10 H new ATOM 0 HB3 PRO B 799 -13.787 12.702 14.378 1.00 49.10 H new ATOM 0 HG2 PRO B 799 -12.070 10.740 13.489 1.00 44.58 H new ATOM 0 HG3 PRO B 799 -11.748 12.247 13.729 1.00 44.58 H new ATOM 0 HD2 PRO B 799 -11.010 10.355 15.392 1.00 41.46 H new ATOM 0 HD3 PRO B 799 -11.047 11.861 15.793 1.00 41.46 H new ATOM 2340 N TYR B 800 -15.950 9.683 15.271 1.00 50.83 N ATOM 2341 CA TYR B 800 -16.724 8.537 14.800 1.00 58.82 C ATOM 2342 C TYR B 800 -16.959 8.717 13.283 1.00 60.01 C ATOM 2343 O TYR B 800 -17.381 9.809 12.817 1.00 60.07 O ATOM 2344 CB TYR B 800 -18.055 8.499 15.518 1.00 60.40 C ATOM 2345 CG TYR B 800 -18.870 7.337 15.087 1.00 76.47 C ATOM 2346 CD1 TYR B 800 -18.505 6.050 15.466 1.00 83.24 C ATOM 2347 CD2 TYR B 800 -20.003 7.504 14.276 1.00 87.34 C ATOM 2348 CE1 TYR B 800 -19.244 4.957 15.072 1.00 88.96 C ATOM 2349 CE2 TYR B 800 -20.753 6.409 13.869 1.00 91.86 C ATOM 2350 CZ TYR B 800 -20.363 5.136 14.274 1.00 94.47 C ATOM 2351 OH TYR B 800 -21.083 4.036 13.897 1.00100.18 O ATOM 0 H TYR B 800 -16.429 10.359 15.501 1.00 50.83 H new ATOM 0 HA TYR B 800 -16.249 7.709 14.974 1.00 58.82 H new ATOM 0 HB2 TYR B 800 -17.907 8.455 16.476 1.00 60.40 H new ATOM 0 HB3 TYR B 800 -18.542 9.320 15.344 1.00 60.40 H new ATOM 0 HD1 TYR B 800 -17.750 5.925 15.994 1.00 83.24 H new ATOM 0 HD2 TYR B 800 -20.254 8.358 14.008 1.00 87.34 H new ATOM 0 HE1 TYR B 800 -18.993 4.102 15.340 1.00 88.96 H new ATOM 0 HE2 TYR B 800 -21.505 6.524 13.334 1.00 91.86 H new ATOM 0 HH TYR B 800 -21.732 4.275 13.420 1.00100.18 H new ATOM 2352 N TYR B 801 -16.677 7.682 12.503 1.00 52.67 N ATOM 2353 CA TYR B 801 -16.951 7.779 11.077 1.00 54.72 C ATOM 2354 C TYR B 801 -18.022 6.743 10.628 1.00 63.21 C ATOM 2355 O TYR B 801 -19.237 6.980 10.807 1.00 61.62 O ATOM 2356 CB TYR B 801 -15.649 7.680 10.289 1.00 47.86 C ATOM 2357 CG TYR B 801 -14.729 8.832 10.444 1.00 39.83 C ATOM 2358 CD1 TYR B 801 -15.161 10.134 10.259 1.00 34.36 C ATOM 2359 CD2 TYR B 801 -13.405 8.627 10.771 1.00 46.28 C ATOM 2360 CE1 TYR B 801 -14.306 11.209 10.361 1.00 34.14 C ATOM 2361 CE2 TYR B 801 -12.527 9.717 10.885 1.00 44.41 C ATOM 2362 CZ TYR B 801 -13.007 10.992 10.669 1.00 34.58 C ATOM 2363 OH TYR B 801 -12.178 12.059 10.804 1.00 38.07 O ATOM 0 H TYR B 801 -16.338 6.937 12.768 1.00 52.67 H new ATOM 0 HA TYR B 801 -17.337 8.648 10.887 1.00 54.72 H new ATOM 0 HB2 TYR B 801 -15.183 6.874 10.561 1.00 47.86 H new ATOM 0 HB3 TYR B 801 -15.864 7.580 9.348 1.00 47.86 H new ATOM 0 HD1 TYR B 801 -16.056 10.288 10.060 1.00 34.36 H new ATOM 0 HD2 TYR B 801 -13.092 7.763 10.917 1.00 46.28 H new ATOM 0 HE1 TYR B 801 -14.618 12.074 10.220 1.00 34.14 H new ATOM 0 HE2 TYR B 801 -11.633 9.581 11.103 1.00 44.41 H new ATOM 0 HH TYR B 801 -12.372 12.639 10.229 1.00 38.07 H new ATOM 2364 N ASN B 802 -17.545 5.624 10.070 1.00 68.35 N ATOM 2365 CA ASN B 802 -18.323 4.513 9.554 1.00 72.79 C ATOM 2366 C ASN B 802 -17.940 3.329 10.459 1.00 84.37 C ATOM 2367 O ASN B 802 -17.037 2.570 10.097 1.00101.87 O ATOM 2368 CB ASN B 802 -17.888 4.174 8.082 1.00 64.60 C ATOM 2369 CG ASN B 802 -17.888 5.390 7.118 1.00 50.44 C ATOM 2370 OD1 ASN B 802 -18.915 5.977 6.873 1.00 41.01 O ATOM 2371 ND2 ASN B 802 -16.728 5.717 6.529 1.00 43.97 N ATOM 0 H ASN B 802 -16.700 5.494 9.981 1.00 68.35 H new ATOM 0 HA ASN B 802 -19.273 4.709 9.547 1.00 72.79 H new ATOM 0 HB2 ASN B 802 -16.998 3.789 8.100 1.00 64.60 H new ATOM 0 HB3 ASN B 802 -18.484 3.495 7.729 1.00 64.60 H new ATOM 0 HD21 ASN B 802 -16.701 6.361 5.959 1.00 43.97 H new ATOM 0 HD22 ASN B 802 -16.011 5.283 6.721 1.00 43.97 H new ATOM 2372 N ARG B 803 -18.556 3.178 11.635 1.00101.76 N ATOM 2373 CA ARG B 803 -18.198 2.045 12.521 1.00112.69 C ATOM 2374 C ARG B 803 -18.640 0.721 11.882 1.00112.71 C ATOM 2375 O ARG B 803 -19.791 0.614 11.476 1.00107.46 O ATOM 2376 CB ARG B 803 -18.822 2.148 13.908 1.00110.22 C ATOM 0 H ARG B 803 -19.168 3.700 11.939 1.00101.76 H new ATOM 0 HA ARG B 803 -17.234 2.076 12.628 1.00112.69 H new ATOM 2377 N GLU B 804 -17.753 -0.268 11.736 1.00125.87 N ATOM 2378 CA GLU B 804 -16.297 -0.146 11.936 1.00129.29 C ATOM 2379 C GLU B 804 -15.569 -0.826 10.763 1.00129.98 C ATOM 2380 O GLU B 804 -15.413 -0.203 9.707 1.00139.72 O ATOM 2381 CB GLU B 804 -15.870 -0.682 13.317 1.00120.11 C ATOM 0 H GLU B 804 -17.990 -1.063 11.508 1.00125.87 H new ATOM 0 HA GLU B 804 -16.042 0.790 11.938 1.00129.29 H new ATOM 2382 N GLY B 805 -15.154 -2.087 10.914 1.00124.70 N ATOM 2383 CA GLY B 805 -14.256 -2.710 9.942 1.00118.20 C ATOM 2384 C GLY B 805 -13.012 -1.852 9.764 1.00122.04 C ATOM 2385 O GLY B 805 -12.532 -1.250 10.733 1.00132.78 O ATOM 0 H GLY B 805 -15.381 -2.595 11.570 1.00124.70 H new ATOM 0 HA2 GLY B 805 -14.006 -3.598 10.243 1.00118.20 H new ATOM 0 HA3 GLY B 805 -14.710 -2.816 9.091 1.00118.20 H new ATOM 2386 N SER B 806 -12.506 -1.779 8.530 1.00123.15 N ATOM 2387 CA SER B 806 -11.402 -0.866 8.168 1.00114.83 C ATOM 2388 C SER B 806 -11.879 0.440 7.460 1.00108.23 C ATOM 2389 O SER B 806 -11.057 1.151 6.863 1.00106.13 O ATOM 2390 CB SER B 806 -10.364 -1.609 7.305 1.00110.34 C ATOM 0 H SER B 806 -12.791 -2.257 7.874 1.00123.15 H new ATOM 0 HA SER B 806 -10.992 -0.581 9.000 1.00114.83 H new ATOM 2391 N GLN B 807 -13.169 0.793 7.585 1.00 92.71 N ATOM 2392 CA GLN B 807 -13.757 1.930 6.837 1.00 83.44 C ATOM 2393 C GLN B 807 -13.383 3.346 7.362 1.00 66.03 C ATOM 2394 O GLN B 807 -13.970 4.337 6.923 1.00 52.11 O ATOM 2395 CB GLN B 807 -15.293 1.775 6.738 1.00 82.58 C ATOM 0 H GLN B 807 -13.725 0.387 8.100 1.00 92.71 H new ATOM 0 HA GLN B 807 -13.354 1.881 5.956 1.00 83.44 H new ATOM 2396 N GLY B 808 -12.444 3.446 8.312 1.00 58.32 N ATOM 2397 CA GLY B 808 -11.837 4.735 8.676 1.00 53.42 C ATOM 2398 C GLY B 808 -10.813 5.265 7.667 1.00 44.08 C ATOM 2399 O GLY B 808 -10.395 4.562 6.735 1.00 43.18 O ATOM 0 H GLY B 808 -12.144 2.776 8.759 1.00 58.32 H new ATOM 0 HA2 GLY B 808 -12.542 5.393 8.780 1.00 53.42 H new ATOM 0 HA3 GLY B 808 -11.405 4.643 9.540 1.00 53.42 H new ATOM 2400 N PRO B 809 -10.384 6.523 7.849 1.00 42.47 N ATOM 2401 CA PRO B 809 -9.410 7.086 6.911 1.00 40.62 C ATOM 2402 C PRO B 809 -8.014 6.455 7.069 1.00 45.60 C ATOM 2403 O PRO B 809 -7.759 5.674 8.040 1.00 44.21 O ATOM 2404 CB PRO B 809 -9.342 8.572 7.323 1.00 37.12 C ATOM 2405 CG PRO B 809 -9.556 8.530 8.792 1.00 39.40 C ATOM 2406 CD PRO B 809 -10.542 7.386 9.042 1.00 43.64 C ATOM 0 HA PRO B 809 -9.671 6.932 5.989 1.00 40.62 H new ATOM 0 HB2 PRO B 809 -8.485 8.967 7.097 1.00 37.12 H new ATOM 0 HB3 PRO B 809 -10.024 9.099 6.877 1.00 37.12 H new ATOM 0 HG2 PRO B 809 -8.720 8.377 9.260 1.00 39.40 H new ATOM 0 HG3 PRO B 809 -9.912 9.372 9.115 1.00 39.40 H new ATOM 0 HD2 PRO B 809 -10.333 6.907 9.859 1.00 43.64 H new ATOM 0 HD3 PRO B 809 -11.452 7.712 9.129 1.00 43.64 H new ATOM 2407 N GLN B 810 -7.122 6.858 6.167 1.00 42.61 N ATOM 2408 CA GLN B 810 -5.784 6.303 6.118 1.00 52.51 C ATOM 2409 C GLN B 810 -5.044 6.524 7.451 1.00 46.22 C ATOM 2410 O GLN B 810 -4.432 5.586 8.000 1.00 53.20 O ATOM 2411 CB GLN B 810 -5.018 6.910 4.941 1.00 64.52 C ATOM 2412 CG GLN B 810 -3.747 6.159 4.568 1.00 75.62 C ATOM 2413 CD GLN B 810 -2.684 7.089 4.001 1.00 85.84 C ATOM 2414 OE1 GLN B 810 -2.134 7.946 4.713 1.00 89.22 O ATOM 2415 NE2 GLN B 810 -2.389 6.927 2.721 1.00 85.90 N ATOM 0 H GLN B 810 -7.279 7.458 5.571 1.00 42.61 H new ATOM 0 HA GLN B 810 -5.844 5.344 5.983 1.00 52.51 H new ATOM 0 HB2 GLN B 810 -5.603 6.939 4.168 1.00 64.52 H new ATOM 0 HB3 GLN B 810 -4.788 7.827 5.157 1.00 64.52 H new ATOM 0 HG2 GLN B 810 -3.397 5.708 5.352 1.00 75.62 H new ATOM 0 HG3 GLN B 810 -3.957 5.473 3.916 1.00 75.62 H new ATOM 0 HE21 GLN B 810 -2.791 6.323 2.260 1.00 85.90 H new ATOM 0 HE22 GLN B 810 -1.795 7.426 2.350 1.00 85.90 H new ATOM 2416 N LYS B 811 -5.103 7.735 7.983 1.00 31.61 N ATOM 2417 CA LYS B 811 -4.621 7.971 9.340 1.00 31.75 C ATOM 2418 C LYS B 811 -5.589 8.914 10.108 1.00 28.65 C ATOM 2419 O LYS B 811 -5.618 10.097 9.795 1.00 25.80 O ATOM 2420 CB LYS B 811 -3.263 8.644 9.265 1.00 37.25 C ATOM 2421 CG LYS B 811 -2.621 8.881 10.623 1.00 40.15 C ATOM 2422 CD LYS B 811 -1.145 9.213 10.411 1.00 44.87 C ATOM 2423 CE LYS B 811 -0.543 9.778 11.665 1.00 47.31 C ATOM 2424 NZ LYS B 811 0.818 10.333 11.421 1.00 52.15 N ATOM 0 H LYS B 811 -5.415 8.429 7.582 1.00 31.61 H new ATOM 0 HA LYS B 811 -4.565 7.121 9.804 1.00 31.75 H new ATOM 0 HB2 LYS B 811 -2.669 8.097 8.727 1.00 37.25 H new ATOM 0 HB3 LYS B 811 -3.357 9.494 8.808 1.00 37.25 H new ATOM 0 HG2 LYS B 811 -3.067 9.608 11.084 1.00 40.15 H new ATOM 0 HG3 LYS B 811 -2.712 8.093 11.181 1.00 40.15 H new ATOM 0 HD2 LYS B 811 -0.663 8.413 10.147 1.00 44.87 H new ATOM 0 HD3 LYS B 811 -1.053 9.851 9.686 1.00 44.87 H new ATOM 0 HE2 LYS B 811 -1.119 10.475 12.015 1.00 47.31 H new ATOM 0 HE3 LYS B 811 -0.494 9.085 12.341 1.00 47.31 H new ATOM 0 HZ1 LYS B 811 1.215 10.499 12.200 1.00 52.15 H new ATOM 0 HZ2 LYS B 811 1.301 9.744 10.961 1.00 52.15 H new ATOM 0 HZ3 LYS B 811 0.752 11.089 10.956 1.00 52.15 H new ATOM 2425 N PRO B 812 -6.335 8.394 11.067 1.00 26.79 N ATOM 2426 CA PRO B 812 -7.225 9.247 11.863 1.00 28.64 C ATOM 2427 C PRO B 812 -6.373 10.149 12.817 1.00 30.32 C ATOM 2428 O PRO B 812 -5.231 9.806 13.179 1.00 26.39 O ATOM 2429 CB PRO B 812 -8.104 8.254 12.622 1.00 31.26 C ATOM 2430 CG PRO B 812 -7.438 6.960 12.521 1.00 34.46 C ATOM 2431 CD PRO B 812 -6.407 6.984 11.468 1.00 33.95 C ATOM 0 HA PRO B 812 -7.763 9.859 11.336 1.00 28.64 H new ATOM 0 HB2 PRO B 812 -8.205 8.520 13.549 1.00 31.26 H new ATOM 0 HB3 PRO B 812 -8.994 8.216 12.239 1.00 31.26 H new ATOM 0 HG2 PRO B 812 -7.032 6.733 13.372 1.00 34.46 H new ATOM 0 HG3 PRO B 812 -8.091 6.270 12.325 1.00 34.46 H new ATOM 0 HD2 PRO B 812 -5.553 6.666 11.801 1.00 33.95 H new ATOM 0 HD3 PRO B 812 -6.650 6.415 10.721 1.00 33.95 H new ATOM 2432 N MET B 813 -6.876 11.335 13.113 1.00 23.31 N ATOM 2433 CA MET B 813 -6.136 12.297 13.919 1.00 23.08 C ATOM 2434 C MET B 813 -7.137 13.236 14.628 1.00 21.62 C ATOM 2435 O MET B 813 -8.236 13.506 14.095 1.00 22.09 O ATOM 2436 CB MET B 813 -5.170 13.092 13.055 1.00 21.54 C ATOM 2437 CG MET B 813 -4.131 13.912 13.797 1.00 24.08 C ATOM 2438 SD MET B 813 -3.176 13.029 15.079 1.00 26.14 S ATOM 2439 CE MET B 813 -2.402 11.770 14.010 1.00 29.05 C ATOM 0 H MET B 813 -7.650 11.607 12.856 1.00 23.31 H new ATOM 0 HA MET B 813 -5.613 11.824 14.585 1.00 23.08 H new ATOM 0 HB2 MET B 813 -4.708 12.475 12.466 1.00 21.54 H new ATOM 0 HB3 MET B 813 -5.686 13.690 12.491 1.00 21.54 H new ATOM 0 HG2 MET B 813 -3.508 14.275 13.148 1.00 24.08 H new ATOM 0 HG3 MET B 813 -4.577 14.666 14.214 1.00 24.08 H new ATOM 0 HE1 MET B 813 -1.659 11.359 14.479 1.00 29.05 H new ATOM 0 HE2 MET B 813 -3.056 11.091 13.784 1.00 29.05 H new ATOM 0 HE3 MET B 813 -2.079 12.190 13.197 1.00 29.05 H new ATOM 2440 N TRP B 814 -6.815 13.614 15.846 1.00 19.53 N ATOM 2441 CA TRP B 814 -7.636 14.523 16.613 1.00 19.88 C ATOM 2442 C TRP B 814 -6.723 15.311 17.583 1.00 19.80 C ATOM 2443 O TRP B 814 -5.554 14.938 17.792 1.00 18.69 O ATOM 2444 CB TRP B 814 -8.743 13.756 17.317 1.00 21.00 C ATOM 2445 CG TRP B 814 -8.353 12.610 18.194 1.00 21.43 C ATOM 2446 CD1 TRP B 814 -8.209 12.671 19.501 1.00 23.16 C ATOM 2447 CD2 TRP B 814 -8.029 11.285 17.801 1.00 23.20 C ATOM 2448 NE1 TRP B 814 -7.794 11.462 20.016 1.00 24.70 N ATOM 2449 CE2 TRP B 814 -7.728 10.569 18.980 1.00 26.49 C ATOM 2450 CE3 TRP B 814 -8.013 10.610 16.568 1.00 25.64 C ATOM 2451 CZ2 TRP B 814 -7.358 9.209 18.983 1.00 26.48 C ATOM 2452 CZ3 TRP B 814 -7.660 9.235 16.542 1.00 28.44 C ATOM 2453 CH2 TRP B 814 -7.327 8.552 17.760 1.00 30.12 C ATOM 0 H TRP B 814 -6.107 13.348 16.256 1.00 19.53 H new ATOM 0 HA TRP B 814 -8.078 15.166 16.037 1.00 19.88 H new ATOM 0 HB2 TRP B 814 -9.245 14.387 17.857 1.00 21.00 H new ATOM 0 HB3 TRP B 814 -9.349 13.419 16.639 1.00 21.00 H new ATOM 0 HD1 TRP B 814 -8.367 13.432 20.011 1.00 23.16 H new ATOM 0 HE1 TRP B 814 -7.610 11.298 20.840 1.00 24.70 H new ATOM 0 HE3 TRP B 814 -8.230 11.057 15.782 1.00 25.64 H new ATOM 0 HZ2 TRP B 814 -7.143 8.769 19.773 1.00 26.48 H new ATOM 0 HZ3 TRP B 814 -7.644 8.775 15.734 1.00 28.44 H new ATOM 0 HH2 TRP B 814 -7.086 7.654 17.729 1.00 30.12 H new ATOM 2454 N LEU B 815 -7.227 16.420 18.121 1.00 16.79 N ATOM 2455 CA LEU B 815 -6.412 17.291 18.872 1.00 18.02 C ATOM 2456 C LEU B 815 -5.813 16.631 20.139 1.00 19.47 C ATOM 2457 O LEU B 815 -4.635 16.813 20.404 1.00 18.95 O ATOM 2458 CB LEU B 815 -7.083 18.588 19.213 1.00 18.82 C ATOM 2459 CG LEU B 815 -7.512 19.439 18.041 1.00 18.57 C ATOM 2460 CD1 LEU B 815 -8.436 20.538 18.587 1.00 19.98 C ATOM 2461 CD2 LEU B 815 -6.327 20.116 17.397 1.00 18.72 C ATOM 0 H LEU B 815 -8.048 16.666 18.048 1.00 16.79 H new ATOM 0 HA LEU B 815 -5.673 17.498 18.279 1.00 18.02 H new ATOM 0 HB2 LEU B 815 -7.865 18.395 19.753 1.00 18.82 H new ATOM 0 HB3 LEU B 815 -6.479 19.109 19.765 1.00 18.82 H new ATOM 0 HG LEU B 815 -7.949 18.877 17.382 1.00 18.57 H new ATOM 0 HD11 LEU B 815 -8.731 21.105 17.857 1.00 19.98 H new ATOM 0 HD12 LEU B 815 -9.207 20.131 19.012 1.00 19.98 H new ATOM 0 HD13 LEU B 815 -7.954 21.073 19.237 1.00 19.98 H new ATOM 0 HD21 LEU B 815 -6.629 20.655 16.649 1.00 18.72 H new ATOM 0 HD22 LEU B 815 -5.886 20.685 18.047 1.00 18.72 H new ATOM 0 HD23 LEU B 815 -5.703 19.444 17.080 1.00 18.72 H new ATOM 2462 N ASN B 816 -6.582 15.857 20.863 1.00 17.42 N ATOM 2463 CA ASN B 816 -6.089 15.241 22.034 1.00 18.76 C ATOM 2464 C ASN B 816 -4.944 14.252 21.734 1.00 20.21 C ATOM 2465 O ASN B 816 -4.072 14.100 22.593 1.00 20.06 O ATOM 2466 CB ASN B 816 -7.175 14.538 22.786 1.00 19.47 C ATOM 2467 CG ASN B 816 -8.179 15.484 23.458 1.00 21.87 C ATOM 2468 OD1 ASN B 816 -8.000 16.711 23.549 1.00 21.76 O ATOM 2469 ND2 ASN B 816 -9.267 14.883 23.945 1.00 22.05 N ATOM 0 H ASN B 816 -7.404 15.680 20.680 1.00 17.42 H new ATOM 0 HA ASN B 816 -5.737 15.956 22.586 1.00 18.76 H new ATOM 0 HB2 ASN B 816 -7.653 13.954 22.176 1.00 19.47 H new ATOM 0 HB3 ASN B 816 -6.773 13.973 23.464 1.00 19.47 H new ATOM 0 HD21 ASN B 816 -9.875 15.347 24.338 1.00 22.05 H new ATOM 0 HD22 ASN B 816 -9.360 14.032 23.865 1.00 22.05 H new ATOM 2470 N LYS B 817 -4.955 13.631 20.554 1.00 18.96 N ATOM 2471 CA LYS B 817 -3.899 12.724 20.158 1.00 22.66 C ATOM 2472 C LYS B 817 -2.633 13.558 19.842 1.00 21.64 C ATOM 2473 O LYS B 817 -1.509 13.161 20.203 1.00 20.22 O ATOM 2474 CB LYS B 817 -4.327 11.912 18.986 1.00 23.96 C ATOM 2475 CG LYS B 817 -3.317 10.927 18.509 1.00 28.70 C ATOM 2476 CD LYS B 817 -3.829 10.075 17.376 1.00 33.79 C ATOM 2477 CE LYS B 817 -2.719 9.068 17.056 1.00 49.05 C ATOM 2478 NZ LYS B 817 -2.756 8.590 15.646 1.00 63.05 N ATOM 0 H LYS B 817 -5.576 13.728 19.967 1.00 18.96 H new ATOM 0 HA LYS B 817 -3.699 12.104 20.876 1.00 22.66 H new ATOM 0 HB2 LYS B 817 -5.140 11.437 19.217 1.00 23.96 H new ATOM 0 HB3 LYS B 817 -4.546 12.511 18.256 1.00 23.96 H new ATOM 0 HG2 LYS B 817 -2.521 11.400 18.220 1.00 28.70 H new ATOM 0 HG3 LYS B 817 -3.055 10.355 19.247 1.00 28.70 H new ATOM 0 HD2 LYS B 817 -4.647 9.619 17.629 1.00 33.79 H new ATOM 0 HD3 LYS B 817 -4.036 10.619 16.600 1.00 33.79 H new ATOM 0 HE2 LYS B 817 -1.857 9.478 17.231 1.00 49.05 H new ATOM 0 HE3 LYS B 817 -2.798 8.307 17.652 1.00 49.05 H new ATOM 0 HZ1 LYS B 817 -2.384 7.783 15.596 1.00 63.05 H new ATOM 0 HZ2 LYS B 817 -3.601 8.544 15.370 1.00 63.05 H new ATOM 0 HZ3 LYS B 817 -2.305 9.157 15.128 1.00 63.05 H new ATOM 2479 N VAL B 818 -2.784 14.698 19.188 1.00 19.18 N ATOM 2480 CA VAL B 818 -1.662 15.603 18.995 1.00 20.39 C ATOM 2481 C VAL B 818 -1.113 16.052 20.343 1.00 20.46 C ATOM 2482 O VAL B 818 0.134 16.126 20.537 1.00 19.09 O ATOM 2483 CB VAL B 818 -1.980 16.843 18.117 1.00 19.36 C ATOM 2484 CG1 VAL B 818 -0.770 17.753 18.004 1.00 20.32 C ATOM 2485 CG2 VAL B 818 -2.352 16.405 16.720 1.00 20.52 C ATOM 0 H VAL B 818 -3.527 14.967 18.848 1.00 19.18 H new ATOM 0 HA VAL B 818 -0.996 15.094 18.507 1.00 20.39 H new ATOM 0 HB VAL B 818 -2.713 17.318 18.538 1.00 19.36 H new ATOM 0 HG11 VAL B 818 -0.992 18.519 17.452 1.00 20.32 H new ATOM 0 HG12 VAL B 818 -0.509 18.056 18.888 1.00 20.32 H new ATOM 0 HG13 VAL B 818 -0.035 17.266 17.600 1.00 20.32 H new ATOM 0 HG21 VAL B 818 -2.549 17.185 16.178 1.00 20.52 H new ATOM 0 HG22 VAL B 818 -1.612 15.916 16.326 1.00 20.52 H new ATOM 0 HG23 VAL B 818 -3.134 15.832 16.758 1.00 20.52 H new ATOM 2486 N LYS B 819 -1.987 16.401 21.284 1.00 19.02 N ATOM 2487 CA LYS B 819 -1.510 16.822 22.627 1.00 19.04 C ATOM 2488 C LYS B 819 -0.654 15.719 23.341 1.00 17.27 C ATOM 2489 O LYS B 819 0.427 15.987 23.887 1.00 18.51 O ATOM 2490 CB LYS B 819 -2.717 17.181 23.486 1.00 21.76 C ATOM 2491 CG LYS B 819 -2.361 17.734 24.836 1.00 24.42 C ATOM 2492 CD LYS B 819 -3.564 17.963 25.731 1.00 26.73 C ATOM 2493 CE LYS B 819 -4.114 19.306 25.562 1.00 30.29 C ATOM 2494 NZ LYS B 819 -5.020 19.653 26.743 1.00 35.97 N ATOM 0 H LYS B 819 -2.841 16.406 21.182 1.00 19.02 H new ATOM 0 HA LYS B 819 -0.930 17.591 22.509 1.00 19.04 H new ATOM 0 HB2 LYS B 819 -3.258 17.832 23.012 1.00 21.76 H new ATOM 0 HB3 LYS B 819 -3.265 16.390 23.605 1.00 21.76 H new ATOM 0 HG2 LYS B 819 -1.750 17.123 25.277 1.00 24.42 H new ATOM 0 HG3 LYS B 819 -1.889 18.573 24.720 1.00 24.42 H new ATOM 0 HD2 LYS B 819 -4.248 17.305 25.529 1.00 26.73 H new ATOM 0 HD3 LYS B 819 -3.308 17.832 26.657 1.00 26.73 H new ATOM 0 HE2 LYS B 819 -3.394 19.953 25.496 1.00 30.29 H new ATOM 0 HE3 LYS B 819 -4.616 19.356 24.734 1.00 30.29 H new ATOM 0 HZ1 LYS B 819 -5.385 20.454 26.612 1.00 35.97 H new ATOM 0 HZ2 LYS B 819 -5.663 19.042 26.814 1.00 35.97 H new ATOM 0 HZ3 LYS B 819 -4.540 19.665 27.492 1.00 35.97 H new ATOM 2495 N THR B 820 -1.146 14.502 23.296 1.00 16.03 N ATOM 2496 CA THR B 820 -0.396 13.358 23.845 1.00 20.97 C ATOM 2497 C THR B 820 0.943 13.162 23.152 1.00 19.46 C ATOM 2498 O THR B 820 1.954 12.906 23.833 1.00 21.31 O ATOM 2499 CB THR B 820 -1.263 12.100 23.682 1.00 24.05 C ATOM 2500 OG1 THR B 820 -2.386 12.288 24.517 1.00 27.19 O ATOM 2501 CG2 THR B 820 -0.515 10.875 24.183 1.00 33.60 C ATOM 0 H THR B 820 -1.910 14.301 22.956 1.00 16.03 H new ATOM 0 HA THR B 820 -0.203 13.530 24.780 1.00 20.97 H new ATOM 0 HB THR B 820 -1.500 11.968 22.751 1.00 24.05 H new ATOM 0 HG1 THR B 820 -3.002 12.655 24.080 1.00 27.19 H new ATOM 0 HG21 THR B 820 -1.072 10.089 24.075 1.00 33.60 H new ATOM 0 HG22 THR B 820 0.303 10.764 23.673 1.00 33.60 H new ATOM 0 HG23 THR B 820 -0.297 10.990 25.121 1.00 33.60 H new ATOM 2502 N SER B 821 0.972 13.295 21.830 1.00 18.00 N ATOM 2503 CA SER B 821 2.185 13.094 21.058 1.00 19.90 C ATOM 2504 C SER B 821 3.228 14.122 21.367 1.00 21.80 C ATOM 2505 O SER B 821 4.440 13.779 21.532 1.00 21.27 O ATOM 2506 CB SER B 821 1.949 13.097 19.543 1.00 20.18 C ATOM 2507 OG SER B 821 1.101 12.022 19.184 1.00 22.65 O ATOM 0 H SER B 821 0.285 13.505 21.357 1.00 18.00 H new ATOM 0 HA SER B 821 2.496 12.214 21.324 1.00 19.90 H new ATOM 0 HB2 SER B 821 1.550 13.938 19.272 1.00 20.18 H new ATOM 0 HB3 SER B 821 2.796 13.021 19.076 1.00 20.18 H new ATOM 0 HG SER B 821 0.312 12.198 19.413 1.00 22.65 H new ATOM 2508 N LEU B 822 2.816 15.377 21.475 1.00 19.23 N ATOM 2509 CA LEU B 822 3.723 16.416 21.975 1.00 20.60 C ATOM 2510 C LEU B 822 4.266 16.171 23.358 1.00 23.16 C ATOM 2511 O LEU B 822 5.430 16.406 23.646 1.00 23.60 O ATOM 2512 CB LEU B 822 3.027 17.773 22.022 1.00 23.62 C ATOM 2513 CG LEU B 822 3.039 18.726 20.920 1.00 25.96 C ATOM 2514 CD1 LEU B 822 2.280 20.020 21.319 1.00 25.11 C ATOM 2515 CD2 LEU B 822 4.484 19.077 20.565 1.00 23.99 C ATOM 0 H LEU B 822 2.027 15.651 21.269 1.00 19.23 H new ATOM 0 HA LEU B 822 4.461 16.397 21.346 1.00 20.60 H new ATOM 0 HB2 LEU B 822 2.094 17.594 22.217 1.00 23.62 H new ATOM 0 HB3 LEU B 822 3.392 18.240 22.790 1.00 23.62 H new ATOM 0 HG LEU B 822 2.600 18.325 20.154 1.00 25.96 H new ATOM 0 HD11 LEU B 822 2.295 20.646 20.578 1.00 25.11 H new ATOM 0 HD12 LEU B 822 1.361 19.802 21.539 1.00 25.11 H new ATOM 0 HD13 LEU B 822 2.709 20.422 22.090 1.00 25.11 H new ATOM 0 HD21 LEU B 822 4.492 19.711 19.831 1.00 23.99 H new ATOM 0 HD22 LEU B 822 4.921 19.470 21.337 1.00 23.99 H new ATOM 0 HD23 LEU B 822 4.957 18.272 20.301 1.00 23.99 H new ATOM 2516 N ASN B 823 3.401 15.787 24.271 1.00 26.02 N ATOM 2517 CA ASN B 823 3.789 15.497 25.672 1.00 26.48 C ATOM 2518 C ASN B 823 4.806 14.340 25.735 1.00 26.15 C ATOM 2519 O ASN B 823 5.754 14.377 26.500 1.00 30.03 O ATOM 2520 CB ASN B 823 2.515 15.182 26.477 1.00 28.55 C ATOM 2521 CG ASN B 823 2.791 14.791 27.946 1.00 35.45 C ATOM 2522 OD1 ASN B 823 2.487 13.690 28.400 1.00 40.63 O ATOM 2523 ND2 ASN B 823 3.329 15.677 28.646 1.00 31.76 N ATOM 0 H ASN B 823 2.562 15.681 24.113 1.00 26.02 H new ATOM 0 HA ASN B 823 4.227 16.271 26.060 1.00 26.48 H new ATOM 0 HB2 ASN B 823 1.932 15.957 26.461 1.00 28.55 H new ATOM 0 HB3 ASN B 823 2.038 14.458 26.042 1.00 28.55 H new ATOM 0 HD21 ASN B 823 3.499 15.526 29.475 1.00 31.76 H new ATOM 0 HD22 ASN B 823 3.529 16.437 28.298 1.00 31.76 H new ATOM 2524 N GLU B 824 4.663 13.375 24.856 1.00 22.77 N ATOM 2525 CA GLU B 824 5.467 12.189 24.824 1.00 26.30 C ATOM 2526 C GLU B 824 6.727 12.414 23.971 1.00 25.77 C ATOM 2527 O GLU B 824 7.508 11.487 23.777 1.00 28.44 O ATOM 2528 CB GLU B 824 4.611 11.000 24.347 1.00 26.10 C ATOM 2529 CG GLU B 824 3.627 10.695 25.445 1.00 34.58 C ATOM 2530 CD GLU B 824 2.668 9.533 25.189 1.00 45.26 C ATOM 2531 OE1 GLU B 824 2.845 8.798 24.224 1.00 53.46 O ATOM 2532 OE2 GLU B 824 1.735 9.330 26.022 1.00 60.08 O ATOM 0 H GLU B 824 4.068 13.397 24.236 1.00 22.77 H new ATOM 0 HA GLU B 824 5.782 11.975 25.716 1.00 26.30 H new ATOM 0 HB2 GLU B 824 4.148 11.219 23.523 1.00 26.10 H new ATOM 0 HB3 GLU B 824 5.169 10.228 24.162 1.00 26.10 H new ATOM 0 HG2 GLU B 824 4.124 10.507 26.256 1.00 34.58 H new ATOM 0 HG3 GLU B 824 3.101 11.493 25.613 1.00 34.58 H new ATOM 2533 N GLN B 825 6.890 13.623 23.448 1.00 24.21 N ATOM 2534 CA GLN B 825 8.017 14.002 22.618 1.00 26.61 C ATOM 2535 C GLN B 825 8.168 13.162 21.378 1.00 28.15 C ATOM 2536 O GLN B 825 9.286 12.746 21.012 1.00 28.50 O ATOM 2537 CB GLN B 825 9.325 14.026 23.464 1.00 31.79 C ATOM 2538 CG GLN B 825 9.170 14.876 24.728 1.00 35.40 C ATOM 2539 CD GLN B 825 10.269 14.633 25.754 1.00 37.35 C ATOM 2540 OE1 GLN B 825 10.423 13.509 26.232 1.00 39.23 O ATOM 2541 NE2 GLN B 825 11.052 15.676 26.071 1.00 31.10 N ATOM 0 H GLN B 825 6.329 14.263 23.572 1.00 24.21 H new ATOM 0 HA GLN B 825 7.836 14.898 22.293 1.00 26.61 H new ATOM 0 HB2 GLN B 825 9.567 13.120 23.711 1.00 31.79 H new ATOM 0 HB3 GLN B 825 10.052 14.377 22.926 1.00 31.79 H new ATOM 0 HG2 GLN B 825 9.168 15.814 24.481 1.00 35.40 H new ATOM 0 HG3 GLN B 825 8.309 14.687 25.134 1.00 35.40 H new ATOM 0 HE21 GLN B 825 10.909 16.445 25.713 1.00 31.10 H new ATOM 0 HE22 GLN B 825 11.696 15.575 26.632 1.00 31.10 H new ATOM 2542 N MET B 826 7.049 12.877 20.712 1.00 25.39 N ATOM 2543 CA AMET B 826 7.030 12.032 19.501 0.59 26.52 C ATOM 2544 CA BMET B 826 7.032 12.035 19.503 0.41 27.21 C ATOM 2545 C MET B 826 7.417 12.766 18.231 1.00 28.04 C ATOM 2546 O MET B 826 7.648 12.142 17.245 1.00 32.21 O ATOM 2547 CB AMET B 826 5.661 11.379 19.299 0.59 28.75 C ATOM 2548 CB BMET B 826 5.662 11.382 19.319 0.41 29.75 C ATOM 2549 CG AMET B 826 5.194 10.475 20.447 0.59 32.44 C ATOM 2550 CG BMET B 826 5.277 10.517 20.510 0.41 33.28 C ATOM 2551 SD AMET B 826 6.285 9.034 20.730 0.59 38.45 S ATOM 2552 SD BMET B 826 3.772 9.542 20.398 0.41 38.93 S ATOM 2553 CE AMET B 826 5.864 8.014 19.317 0.59 38.61 C ATOM 2554 CE BMET B 826 3.797 8.819 18.762 0.41 38.30 C ATOM 0 H AMET B 826 6.274 13.166 20.946 0.59 25.39 H new ATOM 0 H BMET B 826 6.273 13.165 20.946 0.41 25.39 H new ATOM 0 HA AMET B 826 7.705 11.354 19.662 0.59 27.21 H new ATOM 0 HA BMET B 826 7.712 11.360 19.652 0.41 27.21 H new ATOM 0 HB2AMET B 826 5.001 12.078 19.168 0.59 29.75 H new ATOM 0 HB2BMET B 826 4.991 12.071 19.191 0.41 29.75 H new ATOM 0 HB3AMET B 826 5.686 10.855 18.483 0.59 29.75 H new ATOM 0 HB3BMET B 826 5.669 10.839 18.515 0.41 29.75 H new ATOM 0 HG2AMET B 826 5.144 10.999 21.262 0.59 33.28 H new ATOM 0 HG2BMET B 826 6.012 9.909 20.685 0.41 33.28 H new ATOM 0 HG3AMET B 826 4.297 10.160 20.257 0.59 33.28 H new ATOM 0 HG3BMET B 826 5.198 11.096 21.284 0.41 33.28 H new ATOM 0 HE1AMET B 826 5.959 7.078 19.554 0.59 38.30 H new ATOM 0 HE1BMET B 826 3.093 8.155 18.691 0.41 38.30 H new ATOM 0 HE2AMET B 826 4.947 8.189 19.053 0.59 38.30 H new ATOM 0 HE2BMET B 826 3.655 9.513 18.099 0.41 38.30 H new ATOM 0 HE3AMET B 826 6.458 8.222 18.579 0.59 38.30 H new ATOM 0 HE3BMET B 826 4.656 8.397 18.608 0.41 38.30 H new ATOM 2555 N TYR B 827 7.465 14.097 18.259 1.00 24.89 N ATOM 2556 CA TYR B 827 7.803 14.884 17.083 1.00 22.29 C ATOM 2557 C TYR B 827 9.266 15.295 17.169 1.00 22.02 C ATOM 2558 O TYR B 827 9.688 15.894 18.190 1.00 25.89 O ATOM 2559 CB TYR B 827 6.885 16.122 16.956 1.00 22.49 C ATOM 2560 CG TYR B 827 5.447 15.822 16.874 1.00 19.46 C ATOM 2561 CD1 TYR B 827 4.945 15.014 15.884 1.00 20.37 C ATOM 2562 CD2 TYR B 827 4.565 16.297 17.820 1.00 23.34 C ATOM 2563 CE1 TYR B 827 3.587 14.708 15.780 1.00 21.82 C ATOM 2564 CE2 TYR B 827 3.221 16.021 17.733 1.00 21.26 C ATOM 2565 CZ TYR B 827 2.735 15.246 16.704 1.00 20.53 C ATOM 2566 OH TYR B 827 1.426 14.950 16.665 1.00 22.70 O ATOM 0 H TYR B 827 7.302 14.566 18.961 1.00 24.89 H new ATOM 0 HA TYR B 827 7.666 14.346 16.288 1.00 22.29 H new ATOM 0 HB2 TYR B 827 7.038 16.701 17.719 1.00 22.49 H new ATOM 0 HB3 TYR B 827 7.144 16.620 16.165 1.00 22.49 H new ATOM 0 HD1 TYR B 827 5.533 14.657 15.258 1.00 20.37 H new ATOM 0 HD2 TYR B 827 4.883 16.811 18.527 1.00 23.34 H new ATOM 0 HE1 TYR B 827 3.271 14.155 15.102 1.00 21.82 H new ATOM 0 HE2 TYR B 827 2.637 16.360 18.373 1.00 21.26 H new ATOM 0 HH TYR B 827 1.290 14.356 16.087 1.00 22.70 H new ATOM 2567 N THR B 828 10.082 14.928 16.151 1.00 21.15 N ATOM 2568 CA THR B 828 11.491 15.413 16.095 1.00 21.86 C ATOM 2569 C THR B 828 11.698 16.726 15.459 1.00 21.43 C ATOM 2570 O THR B 828 12.651 17.399 15.770 1.00 22.24 O ATOM 2571 CB THR B 828 12.466 14.379 15.448 1.00 25.04 C ATOM 2572 OG1 THR B 828 11.962 13.976 14.205 1.00 24.70 O ATOM 2573 CG2 THR B 828 12.497 13.142 16.258 1.00 26.07 C ATOM 0 H THR B 828 9.849 14.415 15.501 1.00 21.15 H new ATOM 0 HA THR B 828 11.700 15.525 17.035 1.00 21.86 H new ATOM 0 HB THR B 828 13.338 14.797 15.381 1.00 25.04 H new ATOM 0 HG1 THR B 828 12.487 13.421 13.856 1.00 24.70 H new ATOM 0 HG21 THR B 828 13.104 12.504 15.851 1.00 26.07 H new ATOM 0 HG22 THR B 828 12.801 13.350 17.155 1.00 26.07 H new ATOM 0 HG23 THR B 828 11.607 12.760 16.299 1.00 26.07 H new ATOM 2574 N ARG B 829 10.802 17.079 14.525 1.00 22.39 N ATOM 2575 CA AARG B 829 10.830 18.311 13.794 0.49 22.09 C ATOM 2576 CA BARG B 829 10.838 18.336 13.851 0.51 23.19 C ATOM 2577 C ARG B 829 9.439 19.003 13.843 1.00 21.59 C ATOM 2578 O ARG B 829 8.438 18.361 14.012 1.00 19.45 O ATOM 2579 CB AARG B 829 11.224 18.029 12.331 0.49 23.49 C ATOM 2580 CB BARG B 829 11.358 18.129 12.426 0.51 26.57 C ATOM 2581 CG AARG B 829 12.705 17.618 12.159 0.49 23.02 C ATOM 2582 CG BARG B 829 12.857 17.751 12.376 0.51 27.41 C ATOM 2583 CD AARG B 829 13.067 17.194 10.748 0.49 24.58 C ATOM 2584 CD BARG B 829 13.306 17.380 10.987 0.51 31.43 C ATOM 2585 NE AARG B 829 14.481 16.769 10.780 0.49 26.13 N ATOM 2586 NE BARG B 829 14.650 16.769 11.051 0.51 33.04 N ATOM 2587 CZ AARG B 829 14.869 15.565 11.205 0.49 21.28 C ATOM 2588 CZ BARG B 829 15.799 17.404 10.913 0.51 30.52 C ATOM 2589 NH1AARG B 829 13.984 14.638 11.586 0.49 19.40 N ATOM 2590 NH1BARG B 829 16.927 16.706 10.982 0.51 27.84 N ATOM 2591 NH2AARG B 829 16.145 15.290 11.217 0.49 25.31 N ATOM 2592 NH2BARG B 829 15.842 18.704 10.650 0.51 30.97 N ATOM 0 H AARG B 829 10.142 16.573 14.305 0.49 22.39 H new ATOM 0 H BARG B 829 10.154 16.571 14.277 0.51 22.39 H new ATOM 0 HA AARG B 829 11.483 18.904 14.198 0.49 23.19 H new ATOM 0 HA BARG B 829 11.438 18.934 14.324 0.51 23.19 H new ATOM 0 HB2AARG B 829 10.657 17.324 11.981 0.49 26.57 H new ATOM 0 HB2BARG B 829 10.839 17.431 11.997 0.51 26.57 H new ATOM 0 HB3AARG B 829 11.052 18.821 11.799 0.49 26.57 H new ATOM 0 HB3BARG B 829 11.218 18.942 11.915 0.51 26.57 H new ATOM 0 HG2AARG B 829 13.270 18.363 12.418 0.49 27.41 H new ATOM 0 HG2BARG B 829 13.388 18.497 12.697 0.51 27.41 H new ATOM 0 HG3AARG B 829 12.901 16.888 12.767 0.49 27.41 H new ATOM 0 HG3BARG B 829 13.021 17.007 12.976 0.51 27.41 H new ATOM 0 HD2AARG B 829 12.496 16.469 10.450 0.49 31.43 H new ATOM 0 HD2BARG B 829 12.676 16.759 10.588 0.51 31.43 H new ATOM 0 HD3AARG B 829 12.942 17.927 10.126 0.49 31.43 H new ATOM 0 HD3BARG B 829 13.325 18.168 10.421 0.51 31.43 H new ATOM 0 HE AARG B 829 15.082 17.323 10.512 0.49 33.04 H new ATOM 0 HE BARG B 829 14.687 15.921 11.191 0.51 33.04 H new ATOM 0 HH11AARG B 829 13.142 14.811 11.561 0.49 27.84 H new ATOM 0 HH11BARG B 829 16.900 15.857 11.114 0.51 27.84 H new ATOM 0 HH12AARG B 829 14.257 13.869 11.856 0.49 27.84 H new ATOM 0 HH12BARG B 829 17.685 17.103 10.894 0.51 27.84 H new ATOM 0 HH21AARG B 829 16.714 15.879 10.955 0.49 30.97 H new ATOM 0 HH21BARG B 829 15.112 19.150 10.566 0.51 30.97 H new ATOM 0 HH22AARG B 829 16.416 14.520 11.487 0.49 30.97 H new ATOM 0 HH22BARG B 829 16.600 19.100 10.564 0.51 30.97 H new ATOM 2593 N VAL B 830 9.427 20.296 13.626 1.00 21.86 N ATOM 2594 CA VAL B 830 8.142 21.112 13.613 1.00 23.14 C ATOM 2595 C VAL B 830 7.213 20.534 12.549 1.00 23.62 C ATOM 2596 O VAL B 830 6.018 20.351 12.741 1.00 21.07 O ATOM 2597 CB VAL B 830 8.469 22.609 13.374 1.00 22.03 C ATOM 2598 CG1 VAL B 830 7.216 23.360 12.994 1.00 23.40 C ATOM 2599 CG2 VAL B 830 9.145 23.258 14.544 1.00 23.38 C ATOM 0 H VAL B 830 10.137 20.759 13.479 1.00 21.86 H new ATOM 0 HA VAL B 830 7.689 21.061 14.469 1.00 23.14 H new ATOM 0 HB VAL B 830 9.103 22.646 12.641 1.00 22.03 H new ATOM 0 HG11 VAL B 830 7.431 24.294 12.847 1.00 23.40 H new ATOM 0 HG12 VAL B 830 6.846 22.982 12.181 1.00 23.40 H new ATOM 0 HG13 VAL B 830 6.565 23.287 13.710 1.00 23.40 H new ATOM 0 HG21 VAL B 830 9.325 24.189 14.339 1.00 23.38 H new ATOM 0 HG22 VAL B 830 8.568 23.204 15.322 1.00 23.38 H new ATOM 0 HG23 VAL B 830 9.980 22.801 14.729 1.00 23.38 H new ATOM 2600 N GLU B 831 7.819 20.061 11.442 1.00 22.61 N ATOM 2601 CA GLU B 831 7.137 19.336 10.428 1.00 25.20 C ATOM 2602 C GLU B 831 6.165 18.268 10.849 1.00 23.84 C ATOM 2603 O GLU B 831 5.049 18.168 10.281 1.00 23.60 O ATOM 2604 CB GLU B 831 8.172 18.719 9.452 1.00 33.18 C ATOM 2605 CG GLU B 831 7.593 17.972 8.285 1.00 40.52 C ATOM 2606 CD GLU B 831 8.693 17.155 7.558 1.00 52.88 C ATOM 2607 OE1 GLU B 831 9.405 16.319 8.201 1.00 52.78 O ATOM 2608 OE2 GLU B 831 8.853 17.393 6.351 1.00 55.62 O ATOM 0 H GLU B 831 8.657 20.170 11.283 1.00 22.61 H new ATOM 0 HA GLU B 831 6.572 20.009 10.018 1.00 25.20 H new ATOM 0 HB2 GLU B 831 8.737 19.430 9.113 1.00 33.18 H new ATOM 0 HB3 GLU B 831 8.744 18.115 9.951 1.00 33.18 H new ATOM 0 HG2 GLU B 831 6.891 17.377 8.592 1.00 40.52 H new ATOM 0 HG3 GLU B 831 7.185 18.597 7.665 1.00 40.52 H new ATOM 2609 N GLY B 832 6.561 17.419 11.800 1.00 22.70 N ATOM 2610 CA GLY B 832 5.708 16.310 12.194 1.00 20.72 C ATOM 2611 C GLY B 832 4.425 16.799 12.902 1.00 18.96 C ATOM 2612 O GLY B 832 3.368 16.230 12.736 1.00 19.69 O ATOM 0 H GLY B 832 7.309 17.470 12.221 1.00 22.70 H new ATOM 0 HA2 GLY B 832 5.468 15.792 11.410 1.00 20.72 H new ATOM 0 HA3 GLY B 832 6.199 15.718 12.786 1.00 20.72 H new ATOM 2613 N PHE B 833 4.578 17.812 13.751 1.00 20.06 N ATOM 2614 CA PHE B 833 3.442 18.439 14.482 1.00 18.44 C ATOM 2615 C PHE B 833 2.508 19.100 13.431 1.00 19.59 C ATOM 2616 O PHE B 833 1.335 18.872 13.421 1.00 20.39 O ATOM 2617 CB PHE B 833 3.979 19.412 15.483 1.00 19.82 C ATOM 2618 CG PHE B 833 2.958 20.354 16.045 1.00 20.06 C ATOM 2619 CD1 PHE B 833 2.121 19.933 17.010 1.00 19.95 C ATOM 2620 CD2 PHE B 833 2.847 21.653 15.557 1.00 21.44 C ATOM 2621 CE1 PHE B 833 1.112 20.786 17.543 1.00 23.33 C ATOM 2622 CE2 PHE B 833 1.876 22.534 16.088 1.00 25.21 C ATOM 2623 CZ PHE B 833 1.019 22.082 17.082 1.00 22.74 C ATOM 0 H PHE B 833 5.341 18.166 13.929 1.00 20.06 H new ATOM 0 HA PHE B 833 2.923 17.787 14.978 1.00 18.44 H new ATOM 0 HB2 PHE B 833 4.383 18.917 16.213 1.00 19.82 H new ATOM 0 HB3 PHE B 833 4.686 19.930 15.067 1.00 19.82 H new ATOM 0 HD1 PHE B 833 2.203 19.066 17.336 1.00 19.95 H new ATOM 0 HD2 PHE B 833 3.414 21.943 14.879 1.00 21.44 H new ATOM 0 HE1 PHE B 833 0.525 20.473 18.193 1.00 23.33 H new ATOM 0 HE2 PHE B 833 1.812 23.407 15.774 1.00 25.21 H new ATOM 0 HZ PHE B 833 0.380 22.656 17.438 1.00 22.74 H new ATOM 2624 N VAL B 834 3.040 19.906 12.558 1.00 19.47 N ATOM 2625 CA VAL B 834 2.189 20.573 11.567 1.00 22.82 C ATOM 2626 C VAL B 834 1.478 19.583 10.674 1.00 23.32 C ATOM 2627 O VAL B 834 0.302 19.795 10.281 1.00 23.05 O ATOM 2628 CB VAL B 834 3.004 21.584 10.770 1.00 24.37 C ATOM 2629 CG1 VAL B 834 2.241 22.172 9.564 1.00 26.47 C ATOM 2630 CG2 VAL B 834 3.509 22.685 11.697 1.00 25.18 C ATOM 0 H VAL B 834 3.878 20.091 12.506 1.00 19.47 H new ATOM 0 HA VAL B 834 1.493 21.055 12.040 1.00 22.82 H new ATOM 0 HB VAL B 834 3.760 21.108 10.392 1.00 24.37 H new ATOM 0 HG11 VAL B 834 2.809 22.806 9.099 1.00 26.47 H new ATOM 0 HG12 VAL B 834 1.992 21.456 8.958 1.00 26.47 H new ATOM 0 HG13 VAL B 834 1.441 22.624 9.876 1.00 26.47 H new ATOM 0 HG21 VAL B 834 4.027 23.326 11.186 1.00 25.18 H new ATOM 0 HG22 VAL B 834 2.754 23.134 12.108 1.00 25.18 H new ATOM 0 HG23 VAL B 834 4.068 22.296 12.388 1.00 25.18 H new ATOM 2631 N GLN B 835 2.150 18.506 10.283 1.00 24.39 N ATOM 2632 CA GLN B 835 1.516 17.538 9.439 1.00 25.00 C ATOM 2633 C GLN B 835 0.348 16.892 10.133 1.00 24.03 C ATOM 2634 O GLN B 835 -0.662 16.682 9.508 1.00 23.17 O ATOM 2635 CB GLN B 835 2.461 16.456 8.929 1.00 29.75 C ATOM 2636 CG GLN B 835 3.400 16.989 7.896 1.00 39.08 C ATOM 2637 CD GLN B 835 4.517 16.014 7.494 1.00 48.58 C ATOM 2638 OE1 GLN B 835 4.727 14.935 8.094 1.00 48.57 O ATOM 2639 NE2 GLN B 835 5.239 16.399 6.437 1.00 54.01 N ATOM 0 H GLN B 835 2.964 18.329 10.498 1.00 24.39 H new ATOM 0 HA GLN B 835 1.207 18.038 8.667 1.00 25.00 H new ATOM 0 HB2 GLN B 835 2.968 16.092 9.671 1.00 29.75 H new ATOM 0 HB3 GLN B 835 1.945 15.726 8.553 1.00 29.75 H new ATOM 0 HG2 GLN B 835 2.892 17.227 7.104 1.00 39.08 H new ATOM 0 HG3 GLN B 835 3.803 17.806 8.231 1.00 39.08 H new ATOM 0 HE21 GLN B 835 5.068 17.147 6.049 1.00 54.01 H new ATOM 0 HE22 GLN B 835 5.875 15.899 6.145 1.00 54.01 H new ATOM 2640 N ASP B 836 0.453 16.583 11.410 1.00 20.92 N ATOM 2641 CA ASP B 836 -0.659 15.933 12.105 1.00 20.48 C ATOM 2642 C ASP B 836 -1.809 16.981 12.275 1.00 20.17 C ATOM 2643 O ASP B 836 -2.959 16.631 12.157 1.00 20.74 O ATOM 2644 CB ASP B 836 -0.215 15.433 13.435 1.00 22.14 C ATOM 2645 CG ASP B 836 0.404 14.044 13.383 1.00 27.28 C ATOM 2646 OD1 ASP B 836 0.391 13.412 12.302 1.00 27.76 O ATOM 2647 OD2 ASP B 836 0.778 13.583 14.493 1.00 28.06 O ATOM 0 H ASP B 836 1.147 16.735 11.895 1.00 20.92 H new ATOM 0 HA ASP B 836 -0.975 15.174 11.590 1.00 20.48 H new ATOM 0 HB2 ASP B 836 0.431 16.054 13.807 1.00 22.14 H new ATOM 0 HB3 ASP B 836 -0.975 15.419 14.038 1.00 22.14 H new ATOM 2648 N MET B 837 -1.496 18.216 12.540 1.00 18.91 N ATOM 2649 CA MET B 837 -2.579 19.231 12.660 1.00 20.25 C ATOM 2650 C MET B 837 -3.333 19.445 11.340 1.00 22.16 C ATOM 2651 O MET B 837 -4.579 19.443 11.313 1.00 24.05 O ATOM 2652 CB MET B 837 -2.014 20.560 13.095 1.00 20.26 C ATOM 2653 CG MET B 837 -1.453 20.573 14.514 1.00 21.10 C ATOM 2654 SD MET B 837 -2.677 20.325 15.809 1.00 22.35 S ATOM 2655 CE MET B 837 -3.420 21.980 15.714 1.00 25.24 C ATOM 0 H MET B 837 -0.697 18.511 12.656 1.00 18.91 H new ATOM 0 HA MET B 837 -3.199 18.887 13.322 1.00 20.25 H new ATOM 0 HB2 MET B 837 -1.311 20.817 12.479 1.00 20.26 H new ATOM 0 HB3 MET B 837 -2.710 21.232 13.028 1.00 20.26 H new ATOM 0 HG2 MET B 837 -0.777 19.881 14.588 1.00 21.10 H new ATOM 0 HG3 MET B 837 -1.008 21.421 14.665 1.00 21.10 H new ATOM 0 HE1 MET B 837 -3.828 22.201 16.566 1.00 25.24 H new ATOM 0 HE2 MET B 837 -2.733 22.632 15.507 1.00 25.24 H new ATOM 0 HE3 MET B 837 -4.096 21.992 15.019 1.00 25.24 H new ATOM 2656 N ARG B 838 -2.595 19.500 10.225 1.00 21.14 N ATOM 2657 CA ARG B 838 -3.202 19.606 8.888 1.00 23.99 C ATOM 2658 C ARG B 838 -4.008 18.412 8.515 1.00 25.22 C ATOM 2659 O ARG B 838 -5.111 18.531 7.917 1.00 23.64 O ATOM 2660 CB ARG B 838 -2.134 19.946 7.827 1.00 26.12 C ATOM 2661 CG ARG B 838 -1.605 21.361 8.039 1.00 25.89 C ATOM 2662 CD ARG B 838 -0.545 21.763 7.016 1.00 28.20 C ATOM 2663 NE ARG B 838 -0.236 23.180 7.105 1.00 26.82 N ATOM 2664 CZ ARG B 838 0.877 23.757 6.619 1.00 31.84 C ATOM 2665 NH1 ARG B 838 1.864 23.050 6.028 1.00 31.89 N ATOM 2666 NH2 ARG B 838 1.036 25.039 6.771 1.00 31.30 N ATOM 0 H ARG B 838 -1.735 19.477 10.220 1.00 21.14 H new ATOM 0 HA ARG B 838 -3.834 20.341 8.922 1.00 23.99 H new ATOM 0 HB2 ARG B 838 -1.403 19.310 7.880 1.00 26.12 H new ATOM 0 HB3 ARG B 838 -2.515 19.867 6.939 1.00 26.12 H new ATOM 0 HG2 ARG B 838 -2.344 21.987 7.994 1.00 25.89 H new ATOM 0 HG3 ARG B 838 -1.229 21.430 8.931 1.00 25.89 H new ATOM 0 HD2 ARG B 838 0.261 21.244 7.162 1.00 28.20 H new ATOM 0 HD3 ARG B 838 -0.859 21.554 6.122 1.00 28.20 H new ATOM 0 HE ARG B 838 -0.808 23.688 7.498 1.00 26.82 H new ATOM 0 HH11 ARG B 838 1.795 22.196 5.951 1.00 31.89 H new ATOM 0 HH12 ARG B 838 2.562 23.453 5.729 1.00 31.89 H new ATOM 0 HH21 ARG B 838 0.435 25.502 7.176 1.00 31.30 H new ATOM 0 HH22 ARG B 838 1.742 25.424 6.466 1.00 31.30 H new ATOM 2667 N LEU B 839 -3.567 17.246 8.959 1.00 24.37 N ATOM 2668 CA LEU B 839 -4.323 16.024 8.717 1.00 23.92 C ATOM 2669 C LEU B 839 -5.704 16.032 9.356 1.00 26.88 C ATOM 2670 O LEU B 839 -6.653 15.449 8.811 1.00 22.10 O ATOM 2671 CB LEU B 839 -3.545 14.840 9.218 1.00 25.89 C ATOM 2672 CG LEU B 839 -4.112 13.455 9.095 1.00 30.59 C ATOM 2673 CD1 LEU B 839 -4.429 13.072 7.651 1.00 32.41 C ATOM 2674 CD2 LEU B 839 -3.081 12.473 9.700 1.00 33.94 C ATOM 0 H LEU B 839 -2.837 17.138 9.400 1.00 24.37 H new ATOM 0 HA LEU B 839 -4.458 15.966 7.758 1.00 23.92 H new ATOM 0 HB2 LEU B 839 -2.691 14.842 8.759 1.00 25.89 H new ATOM 0 HB3 LEU B 839 -3.362 14.993 10.158 1.00 25.89 H new ATOM 0 HG LEU B 839 -4.956 13.418 9.572 1.00 30.59 H new ATOM 0 HD11 LEU B 839 -4.791 12.172 7.627 1.00 32.41 H new ATOM 0 HD12 LEU B 839 -5.080 13.692 7.287 1.00 32.41 H new ATOM 0 HD13 LEU B 839 -3.617 13.108 7.121 1.00 32.41 H new ATOM 0 HD21 LEU B 839 -3.420 11.567 9.635 1.00 33.94 H new ATOM 0 HD22 LEU B 839 -2.245 12.541 9.213 1.00 33.94 H new ATOM 0 HD23 LEU B 839 -2.930 12.695 10.632 1.00 33.94 H new ATOM 2675 N ILE B 840 -5.822 16.637 10.539 1.00 19.96 N ATOM 2676 CA ILE B 840 -7.151 16.694 11.206 1.00 21.22 C ATOM 2677 C ILE B 840 -8.200 17.342 10.235 1.00 20.35 C ATOM 2678 O ILE B 840 -9.317 16.843 10.073 1.00 23.46 O ATOM 2679 CB ILE B 840 -7.035 17.493 12.503 1.00 20.63 C ATOM 2680 CG1 ILE B 840 -6.272 16.669 13.546 1.00 21.02 C ATOM 2681 CG2 ILE B 840 -8.380 17.927 13.032 1.00 23.40 C ATOM 2682 CD1 ILE B 840 -5.902 17.459 14.792 1.00 21.84 C ATOM 0 H ILE B 840 -5.178 17.011 10.968 1.00 19.96 H new ATOM 0 HA ILE B 840 -7.451 15.798 11.424 1.00 21.22 H new ATOM 0 HB ILE B 840 -6.541 18.306 12.312 1.00 20.63 H new ATOM 0 HG12 ILE B 840 -6.813 15.907 13.804 1.00 21.02 H new ATOM 0 HG13 ILE B 840 -5.463 16.319 13.142 1.00 21.02 H new ATOM 0 HG21 ILE B 840 -8.258 18.429 13.853 1.00 23.40 H new ATOM 0 HG22 ILE B 840 -8.822 18.486 12.374 1.00 23.40 H new ATOM 0 HG23 ILE B 840 -8.926 17.145 13.210 1.00 23.40 H new ATOM 0 HD11 ILE B 840 -5.424 16.884 15.410 1.00 21.84 H new ATOM 0 HD12 ILE B 840 -5.337 18.208 14.545 1.00 21.84 H new ATOM 0 HD13 ILE B 840 -6.709 17.789 15.217 1.00 21.84 H new ATOM 2683 N PHE B 841 -7.825 18.470 9.676 1.00 22.76 N ATOM 2684 CA PHE B 841 -8.745 19.271 8.828 1.00 24.21 C ATOM 2685 C PHE B 841 -8.905 18.654 7.476 1.00 27.75 C ATOM 2686 O PHE B 841 -10.008 18.628 6.951 1.00 23.40 O ATOM 2687 CB PHE B 841 -8.284 20.701 8.775 1.00 24.23 C ATOM 2688 CG PHE B 841 -8.041 21.268 10.150 1.00 30.87 C ATOM 2689 CD1 PHE B 841 -9.099 21.344 11.064 1.00 29.93 C ATOM 2690 CD2 PHE B 841 -6.768 21.701 10.540 1.00 31.00 C ATOM 2691 CE1 PHE B 841 -8.871 21.787 12.368 1.00 31.94 C ATOM 2692 CE2 PHE B 841 -6.544 22.184 11.815 1.00 33.22 C ATOM 2693 CZ PHE B 841 -7.599 22.220 12.737 1.00 34.76 C ATOM 0 H PHE B 841 -7.040 18.809 9.764 1.00 22.76 H new ATOM 0 HA PHE B 841 -9.629 19.272 9.226 1.00 24.21 H new ATOM 0 HB2 PHE B 841 -7.468 20.758 8.254 1.00 24.23 H new ATOM 0 HB3 PHE B 841 -8.950 21.238 8.318 1.00 24.23 H new ATOM 0 HD1 PHE B 841 -9.957 21.098 10.801 1.00 29.93 H new ATOM 0 HD2 PHE B 841 -6.064 21.663 9.933 1.00 31.00 H new ATOM 0 HE1 PHE B 841 -9.565 21.793 12.987 1.00 31.94 H new ATOM 0 HE2 PHE B 841 -5.698 22.483 12.060 1.00 33.22 H new ATOM 0 HZ PHE B 841 -7.449 22.534 13.599 1.00 34.76 H new ATOM 2694 N HIS B 842 -7.868 17.968 7.007 1.00 26.28 N ATOM 2695 CA HIS B 842 -8.006 17.145 5.810 1.00 25.49 C ATOM 2696 C HIS B 842 -9.007 16.079 5.883 1.00 25.07 C ATOM 2697 O HIS B 842 -9.865 15.949 4.971 1.00 27.68 O ATOM 2698 CB HIS B 842 -6.629 16.645 5.308 1.00 30.55 C ATOM 2699 CG HIS B 842 -6.738 15.655 4.187 1.00 35.36 C ATOM 2700 ND1 HIS B 842 -6.638 16.028 2.867 1.00 33.78 N ATOM 2701 CD2 HIS B 842 -6.960 14.314 4.190 1.00 38.76 C ATOM 2702 CE1 HIS B 842 -6.796 14.971 2.098 1.00 38.18 C ATOM 2703 NE2 HIS B 842 -7.007 13.918 2.873 1.00 43.24 N ATOM 0 H HIS B 842 -7.085 17.965 7.362 1.00 26.28 H new ATOM 0 HA HIS B 842 -8.374 17.742 5.140 1.00 25.49 H new ATOM 0 HB2 HIS B 842 -6.103 17.404 5.012 1.00 30.55 H new ATOM 0 HB3 HIS B 842 -6.149 16.238 6.047 1.00 30.55 H new ATOM 0 HD2 HIS B 842 -7.061 13.770 4.937 1.00 38.76 H new ATOM 0 HE1 HIS B 842 -6.765 14.965 1.169 1.00 38.18 H new ATOM 0 HE2 HIS B 842 -7.150 13.116 2.598 1.00 43.24 H new ATOM 2704 N ASN B 843 -8.943 15.268 6.920 1.00 23.38 N ATOM 2705 CA ASN B 843 -9.870 14.217 7.120 1.00 21.45 C ATOM 2706 C ASN B 843 -11.321 14.703 7.228 1.00 24.23 C ATOM 2707 O ASN B 843 -12.246 14.005 6.757 1.00 23.95 O ATOM 2708 CB ASN B 843 -9.501 13.402 8.349 1.00 22.51 C ATOM 2709 CG ASN B 843 -8.233 12.527 8.124 1.00 27.25 C ATOM 2710 OD1 ASN B 843 -7.754 12.366 6.979 1.00 26.56 O ATOM 2711 ND2 ASN B 843 -7.677 12.018 9.209 1.00 27.00 N ATOM 0 H ASN B 843 -8.342 15.326 7.532 1.00 23.38 H new ATOM 0 HA ASN B 843 -9.818 13.657 6.330 1.00 21.45 H new ATOM 0 HB2 ASN B 843 -9.349 14.001 9.097 1.00 22.51 H new ATOM 0 HB3 ASN B 843 -10.246 12.830 8.590 1.00 22.51 H new ATOM 0 HD21 ASN B 843 -6.956 11.554 9.145 1.00 27.00 H new ATOM 0 HD22 ASN B 843 -8.036 12.151 9.979 1.00 27.00 H new ATOM 2712 N HIS B 844 -11.506 15.795 7.979 1.00 24.39 N ATOM 2713 CA HIS B 844 -12.840 16.411 8.181 1.00 24.97 C ATOM 2714 C HIS B 844 -13.486 16.765 6.796 1.00 25.41 C ATOM 2715 O HIS B 844 -14.574 16.376 6.528 1.00 24.90 O ATOM 2716 CB HIS B 844 -12.674 17.673 8.979 1.00 24.68 C ATOM 2717 CG HIS B 844 -13.958 18.372 9.230 1.00 22.90 C ATOM 2718 ND1 HIS B 844 -14.814 17.968 10.233 1.00 23.52 N ATOM 2719 CD2 HIS B 844 -14.544 19.421 8.613 1.00 22.31 C ATOM 2720 CE1 HIS B 844 -15.882 18.738 10.234 1.00 25.93 C ATOM 2721 NE2 HIS B 844 -15.763 19.609 9.242 1.00 26.87 N ATOM 0 H HIS B 844 -10.868 16.203 8.387 1.00 24.39 H new ATOM 0 HA HIS B 844 -13.415 15.786 8.650 1.00 24.97 H new ATOM 0 HB2 HIS B 844 -12.256 17.460 9.828 1.00 24.68 H new ATOM 0 HB3 HIS B 844 -12.072 18.271 8.508 1.00 24.68 H new ATOM 0 HD2 HIS B 844 -14.198 19.918 7.907 1.00 22.31 H new ATOM 0 HE1 HIS B 844 -16.596 18.681 10.827 1.00 25.93 H new ATOM 0 HE2 HIS B 844 -16.350 20.198 9.024 1.00 26.87 H new ATOM 2722 N LYS B 845 -12.756 17.467 5.972 1.00 25.56 N ATOM 2723 CA LYS B 845 -13.189 17.810 4.589 1.00 30.45 C ATOM 2724 C LYS B 845 -13.469 16.556 3.758 1.00 32.43 C ATOM 2725 O LYS B 845 -14.458 16.507 3.080 1.00 31.00 O ATOM 2726 CB LYS B 845 -12.144 18.673 3.947 1.00 36.72 C ATOM 2727 CG LYS B 845 -12.455 19.135 2.523 1.00 53.19 C ATOM 2728 CD LYS B 845 -11.341 19.944 1.803 1.00 63.10 C ATOM 2729 CE LYS B 845 -9.896 19.432 2.009 1.00 70.87 C ATOM 2730 NZ LYS B 845 -9.606 17.994 1.689 1.00 73.03 N ATOM 0 H LYS B 845 -11.980 17.775 6.177 1.00 25.56 H new ATOM 0 HA LYS B 845 -14.024 18.302 4.633 1.00 30.45 H new ATOM 0 HB2 LYS B 845 -12.009 19.457 4.502 1.00 36.72 H new ATOM 0 HB3 LYS B 845 -11.306 18.185 3.936 1.00 36.72 H new ATOM 0 HG2 LYS B 845 -12.658 18.353 1.987 1.00 53.19 H new ATOM 0 HG3 LYS B 845 -13.258 19.678 2.548 1.00 53.19 H new ATOM 0 HD2 LYS B 845 -11.532 19.949 0.852 1.00 63.10 H new ATOM 0 HD3 LYS B 845 -11.386 20.864 2.106 1.00 63.10 H new ATOM 0 HE2 LYS B 845 -9.306 19.981 1.469 1.00 70.87 H new ATOM 0 HE3 LYS B 845 -9.656 19.584 2.936 1.00 70.87 H new ATOM 0 HZ1 LYS B 845 -8.792 17.783 1.981 1.00 73.03 H new ATOM 0 HZ2 LYS B 845 -10.208 17.474 2.088 1.00 73.03 H new ATOM 0 HZ3 LYS B 845 -9.646 17.872 0.808 1.00 73.03 H new ATOM 2731 N GLU B 846 -12.661 15.502 3.856 1.00 30.85 N ATOM 2732 CA GLU B 846 -12.898 14.291 3.077 1.00 32.91 C ATOM 2733 C GLU B 846 -14.041 13.506 3.537 1.00 33.57 C ATOM 2734 O GLU B 846 -14.590 12.736 2.750 1.00 30.92 O ATOM 2735 CB GLU B 846 -11.669 13.346 2.977 1.00 34.76 C ATOM 2736 CG GLU B 846 -10.497 13.945 2.246 1.00 41.03 C ATOM 2737 CD GLU B 846 -10.784 14.167 0.774 1.00 50.77 C ATOM 2738 OE1 GLU B 846 -11.325 13.236 0.124 1.00 46.21 O ATOM 2739 OE2 GLU B 846 -10.533 15.300 0.295 1.00 55.18 O ATOM 0 H GLU B 846 -11.971 15.469 4.368 1.00 30.85 H new ATOM 0 HA GLU B 846 -13.090 14.646 2.195 1.00 32.91 H new ATOM 0 HB2 GLU B 846 -11.389 13.099 3.872 1.00 34.76 H new ATOM 0 HB3 GLU B 846 -11.936 12.529 2.527 1.00 34.76 H new ATOM 0 HG2 GLU B 846 -10.261 14.791 2.658 1.00 41.03 H new ATOM 0 HG3 GLU B 846 -9.729 13.360 2.338 1.00 41.03 H new ATOM 2740 N PHE B 847 -14.427 13.622 4.798 1.00 27.02 N ATOM 2741 CA PHE B 847 -15.574 12.883 5.253 1.00 25.67 C ATOM 2742 C PHE B 847 -16.920 13.629 4.965 1.00 26.17 C ATOM 2743 O PHE B 847 -17.891 12.976 4.654 1.00 24.96 O ATOM 2744 CB PHE B 847 -15.498 12.583 6.767 1.00 24.64 C ATOM 2745 CG PHE B 847 -16.607 11.742 7.285 1.00 23.79 C ATOM 2746 CD1 PHE B 847 -16.604 10.384 7.112 1.00 24.54 C ATOM 2747 CD2 PHE B 847 -17.603 12.299 8.036 1.00 24.95 C ATOM 2748 CE1 PHE B 847 -17.599 9.613 7.611 1.00 24.41 C ATOM 2749 CE2 PHE B 847 -18.611 11.540 8.551 1.00 27.49 C ATOM 2750 CZ PHE B 847 -18.619 10.188 8.341 1.00 30.54 C ATOM 0 H PHE B 847 -14.044 14.114 5.390 1.00 27.02 H new ATOM 0 HA PHE B 847 -15.560 12.052 4.753 1.00 25.67 H new ATOM 0 HB2 PHE B 847 -14.656 12.140 6.955 1.00 24.64 H new ATOM 0 HB3 PHE B 847 -15.491 13.423 7.252 1.00 24.64 H new ATOM 0 HD1 PHE B 847 -15.907 9.984 6.644 1.00 24.54 H new ATOM 0 HD2 PHE B 847 -17.593 13.215 8.199 1.00 24.95 H new ATOM 0 HE1 PHE B 847 -17.595 8.695 7.462 1.00 24.41 H new ATOM 0 HE2 PHE B 847 -19.291 11.940 9.044 1.00 27.49 H new ATOM 0 HZ PHE B 847 -19.304 9.663 8.686 1.00 30.54 H new ATOM 2751 N TYR B 848 -16.946 14.923 5.263 1.00 25.85 N ATOM 2752 CA TYR B 848 -18.198 15.715 5.239 1.00 28.25 C ATOM 2753 C TYR B 848 -18.457 16.234 3.802 1.00 30.90 C ATOM 2754 O TYR B 848 -19.617 16.505 3.479 1.00 29.31 O ATOM 2755 CB TYR B 848 -18.217 16.832 6.299 1.00 22.18 C ATOM 2756 CG TYR B 848 -18.419 16.260 7.653 1.00 23.39 C ATOM 2757 CD1 TYR B 848 -19.621 15.674 8.009 1.00 22.11 C ATOM 2758 CD2 TYR B 848 -17.398 16.200 8.583 1.00 25.48 C ATOM 2759 CE1 TYR B 848 -19.814 15.047 9.229 1.00 25.09 C ATOM 2760 CE2 TYR B 848 -17.587 15.568 9.828 1.00 23.93 C ATOM 2761 CZ TYR B 848 -18.786 15.036 10.161 1.00 25.13 C ATOM 2762 OH TYR B 848 -19.048 14.427 11.337 1.00 24.94 O ATOM 0 H TYR B 848 -16.249 15.375 5.485 1.00 25.85 H new ATOM 0 HA TYR B 848 -18.934 15.133 5.485 1.00 28.25 H new ATOM 0 HB2 TYR B 848 -17.382 17.326 6.272 1.00 22.18 H new ATOM 0 HB3 TYR B 848 -18.926 17.463 6.099 1.00 22.18 H new ATOM 0 HD1 TYR B 848 -20.328 15.702 7.405 1.00 22.11 H new ATOM 0 HD2 TYR B 848 -16.574 16.583 8.384 1.00 25.48 H new ATOM 0 HE1 TYR B 848 -20.626 14.637 9.422 1.00 25.09 H new ATOM 0 HE2 TYR B 848 -16.879 15.516 10.429 1.00 23.93 H new ATOM 0 HH TYR B 848 -19.606 13.811 11.215 1.00 24.94 H new ATOM 2763 N ARG B 849 -17.407 16.340 2.981 1.00 32.35 N ATOM 2764 CA ARG B 849 -17.509 16.536 1.507 1.00 34.51 C ATOM 2765 C ARG B 849 -18.439 17.725 1.226 1.00 40.39 C ATOM 2766 O ARG B 849 -18.067 18.842 1.563 1.00 41.45 O ATOM 2767 CB ARG B 849 -17.877 15.241 0.767 1.00 34.65 C ATOM 2768 CG ARG B 849 -16.932 14.063 1.134 1.00 37.96 C ATOM 2769 CD ARG B 849 -16.943 12.864 0.194 1.00 38.73 C ATOM 2770 NE ARG B 849 -16.217 13.172 -1.033 1.00 39.87 N ATOM 2771 CZ ARG B 849 -14.879 13.196 -1.183 1.00 45.26 C ATOM 2772 NH1 ARG B 849 -14.038 12.910 -0.180 1.00 38.68 N ATOM 2773 NH2 ARG B 849 -14.350 13.541 -2.361 1.00 43.76 N ATOM 0 H ARG B 849 -16.595 16.300 3.261 1.00 32.35 H new ATOM 0 HA ARG B 849 -16.638 16.760 1.143 1.00 34.51 H new ATOM 0 HB2 ARG B 849 -18.791 14.998 0.980 1.00 34.65 H new ATOM 0 HB3 ARG B 849 -17.841 15.396 -0.190 1.00 34.65 H new ATOM 0 HG2 ARG B 849 -16.025 14.404 1.180 1.00 37.96 H new ATOM 0 HG3 ARG B 849 -17.164 13.753 2.024 1.00 37.96 H new ATOM 0 HD2 ARG B 849 -16.539 12.099 0.632 1.00 38.73 H new ATOM 0 HD3 ARG B 849 -17.858 12.620 -0.017 1.00 38.73 H new ATOM 0 HE ARG B 849 -16.689 13.356 -1.728 1.00 39.87 H new ATOM 0 HH11 ARG B 849 -14.348 12.701 0.595 1.00 38.68 H new ATOM 0 HH12 ARG B 849 -13.188 12.935 -0.311 1.00 38.68 H new ATOM 0 HH21 ARG B 849 -14.864 13.747 -3.019 1.00 43.76 H new ATOM 0 HH22 ARG B 849 -13.496 13.557 -2.461 1.00 43.76 H new ATOM 2774 N GLU B 850 -19.635 17.497 0.683 1.00 41.32 N ATOM 2775 CA AGLU B 850 -20.526 18.602 0.276 0.44 41.56 C ATOM 2776 CA BGLU B 850 -20.541 18.587 0.273 0.56 44.19 C ATOM 2777 C GLU B 850 -21.345 19.222 1.420 1.00 43.35 C ATOM 2778 O GLU B 850 -21.841 20.362 1.282 1.00 40.05 O ATOM 2779 CB AGLU B 850 -21.475 18.150 -0.852 0.44 44.79 C ATOM 2780 CB BGLU B 850 -21.504 18.112 -0.848 0.56 51.71 C ATOM 2781 CG AGLU B 850 -21.045 18.574 -2.243 0.44 44.59 C ATOM 2782 CG BGLU B 850 -22.623 17.133 -0.451 0.56 55.97 C ATOM 2783 CD AGLU B 850 -19.595 18.305 -2.547 0.44 47.11 C ATOM 2784 CD BGLU B 850 -22.206 15.672 -0.495 0.56 60.72 C ATOM 2785 OE1AGLU B 850 -18.853 19.277 -2.799 0.44 50.03 O ATOM 2786 OE1BGLU B 850 -22.485 15.011 -1.516 0.56 66.33 O ATOM 2787 OE2AGLU B 850 -19.195 17.125 -2.557 0.44 52.14 O ATOM 2788 OE2BGLU B 850 -21.594 15.186 0.483 0.56 61.40 O ATOM 0 H AGLU B 850 -19.955 16.712 0.539 0.44 41.32 H new ATOM 0 H BGLU B 850 -19.949 16.709 0.540 0.56 41.32 H new ATOM 0 HA AGLU B 850 -19.930 19.300 -0.039 0.44 44.19 H new ATOM 0 HA BGLU B 850 -19.956 19.285 -0.060 0.56 44.19 H new ATOM 0 HB2AGLU B 850 -21.549 17.183 -0.829 0.44 51.71 H new ATOM 0 HB2BGLU B 850 -21.917 18.897 -1.241 0.56 51.71 H new ATOM 0 HB3AGLU B 850 -22.360 18.506 -0.677 0.44 51.71 H new ATOM 0 HB3BGLU B 850 -20.972 17.694 -1.543 0.56 51.71 H new ATOM 0 HG2AGLU B 850 -21.594 18.111 -2.896 0.44 55.97 H new ATOM 0 HG2BGLU B 850 -22.925 17.347 0.445 0.56 55.97 H new ATOM 0 HG3AGLU B 850 -21.217 19.523 -2.349 0.44 55.97 H new ATOM 0 HG3BGLU B 850 -23.380 17.262 -1.044 0.56 55.97 H new ATOM 2789 N ASP B 851 -21.502 18.483 2.533 1.00 38.47 N ATOM 2790 CA ASP B 851 -22.214 18.983 3.694 1.00 37.83 C ATOM 2791 C ASP B 851 -21.628 20.298 4.174 1.00 34.98 C ATOM 2792 O ASP B 851 -20.404 20.523 4.181 1.00 32.18 O ATOM 2793 CB ASP B 851 -22.240 17.968 4.824 1.00 42.92 C ATOM 2794 CG ASP B 851 -23.320 18.273 5.898 1.00 41.46 C ATOM 2795 OD1 ASP B 851 -23.221 19.248 6.713 1.00 34.52 O ATOM 2796 OD2 ASP B 851 -24.259 17.454 5.966 1.00 42.57 O ATOM 0 H ASP B 851 -21.196 17.684 2.623 1.00 38.47 H new ATOM 0 HA ASP B 851 -23.130 19.139 3.417 1.00 37.83 H new ATOM 0 HB2 ASP B 851 -22.400 17.086 4.454 1.00 42.92 H new ATOM 0 HB3 ASP B 851 -21.368 17.943 5.249 1.00 42.92 H new ATOM 2797 N LYS B 852 -22.510 21.231 4.513 1.00 29.08 N ATOM 2798 CA LYS B 852 -22.042 22.528 4.989 1.00 29.91 C ATOM 2799 C LYS B 852 -21.144 22.454 6.233 1.00 26.88 C ATOM 2800 O LYS B 852 -20.449 23.434 6.541 1.00 27.66 O ATOM 2801 CB LYS B 852 -23.216 23.457 5.275 1.00 32.47 C ATOM 2802 CG LYS B 852 -24.214 22.871 6.273 1.00 38.09 C ATOM 2803 CD LYS B 852 -25.448 23.788 6.414 1.00 46.39 C ATOM 2804 CE LYS B 852 -26.308 23.356 7.610 1.00 49.07 C ATOM 2805 NZ LYS B 852 -27.671 23.929 7.678 1.00 48.28 N ATOM 0 H LYS B 852 -23.364 21.138 4.477 1.00 29.08 H new ATOM 0 HA LYS B 852 -21.498 22.880 4.268 1.00 29.91 H new ATOM 0 HB2 LYS B 852 -22.879 24.299 5.619 1.00 32.47 H new ATOM 0 HB3 LYS B 852 -23.676 23.654 4.444 1.00 32.47 H new ATOM 0 HG2 LYS B 852 -24.492 21.989 5.979 1.00 38.09 H new ATOM 0 HG3 LYS B 852 -23.787 22.760 7.137 1.00 38.09 H new ATOM 0 HD2 LYS B 852 -25.162 24.708 6.530 1.00 46.39 H new ATOM 0 HD3 LYS B 852 -25.976 23.755 5.601 1.00 46.39 H new ATOM 0 HE2 LYS B 852 -26.384 22.389 7.597 1.00 49.07 H new ATOM 0 HE3 LYS B 852 -25.837 23.592 8.425 1.00 49.07 H new ATOM 0 HZ1 LYS B 852 -28.087 23.620 8.402 1.00 48.28 H new ATOM 0 HZ2 LYS B 852 -27.618 24.816 7.722 1.00 48.28 H new ATOM 0 HZ3 LYS B 852 -28.128 23.695 6.951 1.00 48.28 H new ATOM 2806 N PHE B 853 -21.256 21.351 6.962 1.00 27.40 N ATOM 2807 CA PHE B 853 -20.425 21.123 8.210 1.00 28.91 C ATOM 2808 C PHE B 853 -18.926 21.133 7.867 1.00 28.28 C ATOM 2809 O PHE B 853 -18.076 21.432 8.705 1.00 25.35 O ATOM 2810 CB PHE B 853 -20.897 19.842 8.891 1.00 26.56 C ATOM 2811 CG PHE B 853 -20.332 19.620 10.282 1.00 26.42 C ATOM 2812 CD1 PHE B 853 -20.590 20.528 11.309 1.00 29.51 C ATOM 2813 CD2 PHE B 853 -19.562 18.502 10.557 1.00 25.78 C ATOM 2814 CE1 PHE B 853 -20.083 20.304 12.588 1.00 30.14 C ATOM 2815 CE2 PHE B 853 -19.052 18.272 11.847 1.00 28.09 C ATOM 2816 CZ PHE B 853 -19.297 19.180 12.852 1.00 27.89 C ATOM 0 H PHE B 853 -21.797 20.709 6.776 1.00 27.40 H new ATOM 0 HA PHE B 853 -20.549 21.846 8.845 1.00 28.91 H new ATOM 0 HB2 PHE B 853 -21.865 19.857 8.947 1.00 26.56 H new ATOM 0 HB3 PHE B 853 -20.657 19.086 8.333 1.00 26.56 H new ATOM 0 HD1 PHE B 853 -21.102 21.286 11.140 1.00 29.51 H new ATOM 0 HD2 PHE B 853 -19.379 17.894 9.878 1.00 25.78 H new ATOM 0 HE1 PHE B 853 -20.269 20.907 13.271 1.00 30.14 H new ATOM 0 HE2 PHE B 853 -18.550 17.508 12.021 1.00 28.09 H new ATOM 0 HZ PHE B 853 -18.942 19.046 13.701 1.00 27.89 H new ATOM 2817 N THR B 854 -18.592 20.918 6.595 1.00 27.92 N ATOM 2818 CA ATHR B 854 -17.198 21.043 6.103 0.45 30.09 C ATOM 2819 CA BTHR B 854 -17.194 21.025 6.171 0.55 29.89 C ATOM 2820 C THR B 854 -16.600 22.356 6.514 1.00 27.81 C ATOM 2821 O THR B 854 -15.421 22.459 6.769 1.00 25.56 O ATOM 2822 CB ATHR B 854 -17.081 20.934 4.548 0.45 32.50 C ATOM 2823 CB BTHR B 854 -17.045 20.775 4.658 0.55 30.78 C ATOM 2824 OG1ATHR B 854 -15.789 20.453 4.181 0.45 33.99 O ATOM 2825 OG1BTHR B 854 -17.979 21.604 3.941 0.55 44.50 O ATOM 2826 CG2ATHR B 854 -17.285 22.328 3.837 0.45 34.50 C ATOM 2827 CG2BTHR B 854 -17.305 19.378 4.366 0.55 26.80 C ATOM 0 H ATHR B 854 -19.158 20.696 5.987 0.45 27.92 H new ATOM 0 H BTHR B 854 -19.147 20.713 5.971 0.55 27.92 H new ATOM 0 HA ATHR B 854 -16.718 20.301 6.503 0.45 29.89 H new ATOM 0 HA BTHR B 854 -16.710 20.339 6.657 0.55 29.89 H new ATOM 0 HB ATHR B 854 -17.778 20.322 4.263 0.45 30.78 H new ATOM 0 HB BTHR B 854 -16.142 20.995 4.382 0.55 30.78 H new ATOM 0 HG1ATHR B 854 -15.738 20.397 3.344 0.45 44.50 H new ATOM 0 HG1BTHR B 854 -18.748 21.270 3.993 0.55 44.50 H new ATOM 0 HG21ATHR B 854 -17.205 22.217 2.877 0.45 26.80 H new ATOM 0 HG21BTHR B 854 -17.211 19.223 3.413 0.55 26.80 H new ATOM 0 HG22ATHR B 854 -18.166 22.674 4.050 0.45 26.80 H new ATOM 0 HG22BTHR B 854 -16.672 18.823 4.848 0.55 26.80 H new ATOM 0 HG23ATHR B 854 -16.610 22.952 4.147 0.45 26.80 H new ATOM 0 HG23BTHR B 854 -18.207 19.152 4.642 0.55 26.80 H new ATOM 2828 N ARG B 855 -17.434 23.395 6.548 1.00 26.15 N ATOM 2829 CA ARG B 855 -16.966 24.717 6.790 1.00 27.16 C ATOM 2830 C ARG B 855 -16.311 24.856 8.184 1.00 26.48 C ATOM 2831 O ARG B 855 -15.446 25.679 8.306 1.00 26.14 O ATOM 2832 CB ARG B 855 -18.100 25.707 6.572 1.00 32.58 C ATOM 2833 CG ARG B 855 -17.879 27.129 6.996 1.00 38.91 C ATOM 2834 CD ARG B 855 -19.084 28.002 6.572 1.00 48.73 C ATOM 2835 NE ARG B 855 -18.893 29.435 6.916 1.00 56.49 N ATOM 2836 CZ ARG B 855 -19.428 30.088 7.965 1.00 60.70 C ATOM 2837 NH1 ARG B 855 -20.264 29.496 8.853 1.00 54.52 N ATOM 2838 NH2 ARG B 855 -19.151 31.384 8.113 1.00 59.50 N ATOM 0 H ARG B 855 -18.284 23.334 6.429 1.00 26.15 H new ATOM 0 HA ARG B 855 -16.262 24.920 6.154 1.00 27.16 H new ATOM 0 HB2 ARG B 855 -18.317 25.708 5.627 1.00 32.58 H new ATOM 0 HB3 ARG B 855 -18.881 25.374 7.042 1.00 32.58 H new ATOM 0 HG2 ARG B 855 -17.761 27.173 7.958 1.00 38.91 H new ATOM 0 HG3 ARG B 855 -17.065 27.471 6.594 1.00 38.91 H new ATOM 0 HD2 ARG B 855 -19.221 27.917 5.616 1.00 48.73 H new ATOM 0 HD3 ARG B 855 -19.887 27.672 7.004 1.00 48.73 H new ATOM 0 HE ARG B 855 -18.389 29.894 6.392 1.00 56.49 H new ATOM 0 HH11 ARG B 855 -20.474 28.667 8.759 1.00 54.52 H new ATOM 0 HH12 ARG B 855 -20.584 29.949 9.510 1.00 54.52 H new ATOM 0 HH21 ARG B 855 -18.642 31.782 7.546 1.00 59.50 H new ATOM 0 HH22 ARG B 855 -19.482 31.821 8.776 1.00 59.50 H new ATOM 2839 N LEU B 856 -16.715 24.037 9.170 1.00 24.32 N ATOM 2840 CA LEU B 856 -16.086 24.064 10.529 1.00 29.39 C ATOM 2841 C LEU B 856 -14.569 23.778 10.440 1.00 26.23 C ATOM 2842 O LEU B 856 -13.759 24.444 11.108 1.00 27.60 O ATOM 2843 CB LEU B 856 -16.755 23.075 11.505 1.00 31.57 C ATOM 2844 CG LEU B 856 -17.930 23.596 12.371 1.00 35.49 C ATOM 2845 CD1 LEU B 856 -17.548 24.859 13.144 1.00 36.65 C ATOM 2846 CD2 LEU B 856 -19.123 23.910 11.491 1.00 38.65 C ATOM 0 H LEU B 856 -17.346 23.459 9.084 1.00 24.32 H new ATOM 0 HA LEU B 856 -16.221 24.958 10.881 1.00 29.39 H new ATOM 0 HB2 LEU B 856 -17.077 22.319 10.989 1.00 31.57 H new ATOM 0 HB3 LEU B 856 -16.070 22.738 12.104 1.00 31.57 H new ATOM 0 HG LEU B 856 -18.151 22.897 13.007 1.00 35.49 H new ATOM 0 HD11 LEU B 856 -18.305 25.156 13.673 1.00 36.65 H new ATOM 0 HD12 LEU B 856 -16.800 24.666 13.730 1.00 36.65 H new ATOM 0 HD13 LEU B 856 -17.297 25.557 12.519 1.00 36.65 H new ATOM 0 HD21 LEU B 856 -19.854 24.235 12.040 1.00 38.65 H new ATOM 0 HD22 LEU B 856 -18.878 24.590 10.844 1.00 38.65 H new ATOM 0 HD23 LEU B 856 -19.402 23.106 11.025 1.00 38.65 H new ATOM 2847 N GLY B 857 -14.231 22.831 9.589 1.00 26.87 N ATOM 2848 CA GLY B 857 -12.832 22.398 9.349 1.00 27.68 C ATOM 2849 C GLY B 857 -12.041 23.541 8.741 1.00 29.41 C ATOM 2850 O GLY B 857 -10.956 23.854 9.197 1.00 28.82 O ATOM 0 H GLY B 857 -14.807 22.402 9.116 1.00 26.87 H new ATOM 0 HA2 GLY B 857 -12.423 22.118 10.183 1.00 27.68 H new ATOM 0 HA3 GLY B 857 -12.819 21.632 8.755 1.00 27.68 H new ATOM 2851 N ILE B 858 -12.634 24.245 7.747 1.00 29.30 N ATOM 2852 CA ILE B 858 -12.025 25.411 7.156 1.00 27.05 C ATOM 2853 C ILE B 858 -11.784 26.505 8.171 1.00 27.69 C ATOM 2854 O ILE B 858 -10.743 27.201 8.166 1.00 26.36 O ATOM 2855 CB ILE B 858 -12.900 25.939 5.938 1.00 32.35 C ATOM 2856 CG1 ILE B 858 -12.844 24.925 4.784 1.00 38.36 C ATOM 2857 CG2 ILE B 858 -12.370 27.269 5.434 1.00 33.30 C ATOM 2858 CD1 ILE B 858 -13.990 25.040 3.797 1.00 45.09 C ATOM 0 H ILE B 858 -13.400 24.042 7.412 1.00 29.30 H new ATOM 0 HA ILE B 858 -11.155 25.146 6.819 1.00 27.05 H new ATOM 0 HB ILE B 858 -13.813 26.052 6.247 1.00 32.35 H new ATOM 0 HG12 ILE B 858 -12.007 25.039 4.307 1.00 38.36 H new ATOM 0 HG13 ILE B 858 -12.839 24.029 5.155 1.00 38.36 H new ATOM 0 HG21 ILE B 858 -12.915 27.575 4.692 1.00 33.30 H new ATOM 0 HG22 ILE B 858 -12.403 27.923 6.150 1.00 33.30 H new ATOM 0 HG23 ILE B 858 -11.453 27.161 5.137 1.00 33.30 H new ATOM 0 HD11 ILE B 858 -13.887 24.372 3.102 1.00 45.09 H new ATOM 0 HD12 ILE B 858 -14.831 24.898 4.259 1.00 45.09 H new ATOM 0 HD13 ILE B 858 -13.986 25.924 3.398 1.00 45.09 H new ATOM 2859 N GLN B 859 -12.788 26.745 9.027 1.00 27.72 N ATOM 2860 CA GLN B 859 -12.647 27.782 10.027 1.00 25.98 C ATOM 2861 C GLN B 859 -11.533 27.547 11.114 1.00 23.96 C ATOM 2862 O GLN B 859 -10.783 28.428 11.474 1.00 23.76 O ATOM 2863 CB GLN B 859 -13.995 27.951 10.745 1.00 26.76 C ATOM 2864 CG GLN B 859 -15.014 28.672 9.847 1.00 32.98 C ATOM 2865 CD GLN B 859 -16.388 28.767 10.474 1.00 35.58 C ATOM 2866 OE1 GLN B 859 -16.911 27.812 11.063 1.00 40.36 O ATOM 2867 NE2 GLN B 859 -16.976 29.941 10.371 1.00 39.91 N ATOM 0 H GLN B 859 -13.538 26.323 9.038 1.00 27.72 H new ATOM 0 HA GLN B 859 -12.368 28.572 9.539 1.00 25.98 H new ATOM 0 HB2 GLN B 859 -14.341 27.081 10.998 1.00 26.76 H new ATOM 0 HB3 GLN B 859 -13.868 28.455 11.564 1.00 26.76 H new ATOM 0 HG2 GLN B 859 -14.690 29.565 9.651 1.00 32.98 H new ATOM 0 HG3 GLN B 859 -15.081 28.203 9.001 1.00 32.98 H new ATOM 0 HE21 GLN B 859 -16.584 30.583 9.955 1.00 39.91 H new ATOM 0 HE22 GLN B 859 -17.752 30.065 10.720 1.00 39.91 H new ATOM 2868 N VAL B 860 -11.511 26.349 11.658 1.00 24.26 N ATOM 2869 CA VAL B 860 -10.519 26.038 12.671 1.00 24.95 C ATOM 2870 C VAL B 860 -9.152 25.979 11.994 1.00 22.50 C ATOM 2871 O VAL B 860 -8.184 26.413 12.589 1.00 22.64 O ATOM 2872 CB VAL B 860 -10.914 24.760 13.416 1.00 24.03 C ATOM 2873 CG1 VAL B 860 -9.891 24.370 14.475 1.00 25.48 C ATOM 2874 CG2 VAL B 860 -12.260 25.000 14.155 1.00 22.61 C ATOM 0 H VAL B 860 -12.050 25.709 11.462 1.00 24.26 H new ATOM 0 HA VAL B 860 -10.471 26.725 13.354 1.00 24.95 H new ATOM 0 HB VAL B 860 -10.975 24.052 12.755 1.00 24.03 H new ATOM 0 HG11 VAL B 860 -10.180 23.558 14.921 1.00 25.48 H new ATOM 0 HG12 VAL B 860 -9.031 24.218 14.054 1.00 25.48 H new ATOM 0 HG13 VAL B 860 -9.810 25.085 15.126 1.00 25.48 H new ATOM 0 HG21 VAL B 860 -12.517 24.194 14.630 1.00 22.61 H new ATOM 0 HG22 VAL B 860 -12.157 25.728 14.787 1.00 22.61 H new ATOM 0 HG23 VAL B 860 -12.948 25.228 13.510 1.00 22.61 H new ATOM 2875 N GLN B 861 -9.071 25.438 10.776 1.00 25.64 N ATOM 2876 CA GLN B 861 -7.764 25.446 10.056 1.00 26.51 C ATOM 2877 C GLN B 861 -7.228 26.857 9.890 1.00 26.23 C ATOM 2878 O GLN B 861 -6.013 27.140 10.056 1.00 24.92 O ATOM 2879 CB GLN B 861 -7.786 24.657 8.761 1.00 29.95 C ATOM 2880 CG GLN B 861 -6.364 24.634 8.151 1.00 34.18 C ATOM 2881 CD GLN B 861 -6.065 23.549 7.114 1.00 42.32 C ATOM 2882 OE1 GLN B 861 -6.952 22.857 6.609 1.00 45.65 O ATOM 2883 NE2 GLN B 861 -4.764 23.411 6.783 1.00 45.96 N ATOM 0 H GLN B 861 -9.724 25.073 10.353 1.00 25.64 H new ATOM 0 HA GLN B 861 -7.133 24.972 10.620 1.00 26.51 H new ATOM 0 HB2 GLN B 861 -8.093 23.752 8.927 1.00 29.95 H new ATOM 0 HB3 GLN B 861 -8.411 25.058 8.136 1.00 29.95 H new ATOM 0 HG2 GLN B 861 -6.200 25.497 7.739 1.00 34.18 H new ATOM 0 HG3 GLN B 861 -5.727 24.540 8.877 1.00 34.18 H new ATOM 0 HE21 GLN B 861 -4.170 23.910 7.155 1.00 45.96 H new ATOM 0 HE22 GLN B 861 -4.528 22.824 6.200 1.00 45.96 H new ATOM 2884 N ASP B 862 -8.112 27.824 9.622 1.00 28.57 N ATOM 2885 CA AASP B 862 -7.623 29.159 9.454 0.50 29.27 C ATOM 2886 CA BASP B 862 -7.690 29.207 9.485 0.50 29.98 C ATOM 2887 C ASP B 862 -7.114 29.771 10.758 1.00 27.91 C ATOM 2888 O ASP B 862 -6.155 30.534 10.745 1.00 27.82 O ATOM 2889 CB AASP B 862 -8.617 30.010 8.672 0.50 33.99 C ATOM 2890 CB BASP B 862 -8.838 30.105 9.056 0.50 36.38 C ATOM 2891 CG AASP B 862 -8.365 29.918 7.157 0.50 35.68 C ATOM 2892 CG BASP B 862 -8.365 31.511 8.701 0.50 40.35 C ATOM 2893 OD1AASP B 862 -8.725 28.894 6.528 0.50 35.26 O ATOM 2894 OD1BASP B 862 -7.239 31.657 8.156 0.50 46.04 O ATOM 2895 OD2AASP B 862 -7.727 30.848 6.624 0.50 41.71 O ATOM 2896 OD2BASP B 862 -9.109 32.479 8.961 0.50 46.76 O ATOM 0 H AASP B 862 -8.962 27.719 9.539 0.50 28.57 H new ATOM 0 H BASP B 862 -8.956 27.694 9.518 0.50 28.57 H new ATOM 0 HA AASP B 862 -6.826 29.127 8.902 0.50 29.98 H new ATOM 0 HA BASP B 862 -7.001 29.193 8.803 0.50 29.98 H new ATOM 0 HB2AASP B 862 -9.521 29.718 8.870 0.50 36.38 H new ATOM 0 HB2BASP B 862 -9.285 29.712 8.290 0.50 36.38 H new ATOM 0 HB3AASP B 862 -8.549 30.935 8.957 0.50 36.38 H new ATOM 0 HB3BASP B 862 -9.492 30.156 9.771 0.50 36.38 H new ATOM 2897 N ILE B 863 -7.669 29.360 11.885 1.00 24.88 N ATOM 2898 CA ILE B 863 -7.132 29.788 13.195 1.00 26.93 C ATOM 2899 C ILE B 863 -5.716 29.169 13.376 1.00 24.04 C ATOM 2900 O ILE B 863 -4.771 29.845 13.753 1.00 24.77 O ATOM 2901 CB ILE B 863 -8.061 29.262 14.315 1.00 28.81 C ATOM 2902 CG1 ILE B 863 -9.468 29.899 14.213 1.00 36.07 C ATOM 2903 CG2 ILE B 863 -7.425 29.357 15.690 1.00 27.64 C ATOM 2904 CD1 ILE B 863 -9.409 31.348 14.508 1.00 39.69 C ATOM 0 H ILE B 863 -8.351 28.838 11.928 1.00 24.88 H new ATOM 0 HA ILE B 863 -7.082 30.756 13.238 1.00 26.93 H new ATOM 0 HB ILE B 863 -8.190 28.310 14.179 1.00 28.81 H new ATOM 0 HG12 ILE B 863 -9.827 29.760 13.323 1.00 36.07 H new ATOM 0 HG13 ILE B 863 -10.072 29.462 14.834 1.00 36.07 H new ATOM 0 HG21 ILE B 863 -8.042 29.017 16.356 1.00 27.64 H new ATOM 0 HG22 ILE B 863 -6.610 28.831 15.707 1.00 27.64 H new ATOM 0 HG23 ILE B 863 -7.216 30.284 15.887 1.00 27.64 H new ATOM 0 HD11 ILE B 863 -10.298 31.729 14.439 1.00 39.69 H new ATOM 0 HD12 ILE B 863 -9.069 31.482 15.407 1.00 39.69 H new ATOM 0 HD13 ILE B 863 -8.821 31.784 13.872 1.00 39.69 H new ATOM 2905 N PHE B 864 -5.619 27.896 13.038 1.00 22.38 N ATOM 2906 CA PHE B 864 -4.267 27.223 13.154 1.00 22.90 C ATOM 2907 C PHE B 864 -3.248 27.969 12.280 1.00 22.70 C ATOM 2908 O PHE B 864 -2.213 28.378 12.736 1.00 25.54 O ATOM 2909 CB PHE B 864 -4.406 25.815 12.715 1.00 22.44 C ATOM 2910 CG PHE B 864 -3.081 25.119 12.565 1.00 26.09 C ATOM 2911 CD1 PHE B 864 -2.281 24.916 13.691 1.00 24.52 C ATOM 2912 CD2 PHE B 864 -2.571 24.835 11.309 1.00 26.94 C ATOM 2913 CE1 PHE B 864 -1.015 24.331 13.554 1.00 23.80 C ATOM 2914 CE2 PHE B 864 -1.328 24.208 11.162 1.00 28.87 C ATOM 2915 CZ PHE B 864 -0.541 23.976 12.282 1.00 24.50 C ATOM 0 H PHE B 864 -6.263 27.402 12.753 1.00 22.38 H new ATOM 0 HA PHE B 864 -3.953 27.243 14.071 1.00 22.90 H new ATOM 0 HB2 PHE B 864 -4.950 25.332 13.357 1.00 22.44 H new ATOM 0 HB3 PHE B 864 -4.878 25.790 11.868 1.00 22.44 H new ATOM 0 HD1 PHE B 864 -2.588 25.169 14.532 1.00 24.52 H new ATOM 0 HD2 PHE B 864 -3.061 25.064 10.553 1.00 26.94 H new ATOM 0 HE1 PHE B 864 -0.489 24.178 14.306 1.00 23.80 H new ATOM 0 HE2 PHE B 864 -1.031 23.949 10.320 1.00 28.87 H new ATOM 0 HZ PHE B 864 0.298 23.586 12.189 1.00 24.50 H new ATOM 2916 N GLU B 865 -3.611 28.203 11.011 1.00 23.98 N ATOM 2917 CA GLU B 865 -2.635 28.743 10.061 1.00 26.69 C ATOM 2918 C GLU B 865 -2.237 30.160 10.384 1.00 27.06 C ATOM 2919 O GLU B 865 -1.088 30.484 10.260 1.00 24.15 O ATOM 2920 CB GLU B 865 -3.147 28.652 8.617 1.00 28.68 C ATOM 2921 CG GLU B 865 -3.376 27.256 8.079 1.00 32.94 C ATOM 2922 CD GLU B 865 -2.111 26.360 7.868 1.00 36.28 C ATOM 2923 OE1 GLU B 865 -0.980 26.889 7.869 1.00 38.26 O ATOM 2924 OE2 GLU B 865 -2.265 25.117 7.688 1.00 32.77 O ATOM 0 H GLU B 865 -4.396 28.060 10.690 1.00 23.98 H new ATOM 0 HA GLU B 865 -1.842 28.191 10.145 1.00 26.69 H new ATOM 0 HB2 GLU B 865 -3.981 29.143 8.557 1.00 28.68 H new ATOM 0 HB3 GLU B 865 -2.511 29.102 8.039 1.00 28.68 H new ATOM 0 HG2 GLU B 865 -3.975 26.794 8.686 1.00 32.94 H new ATOM 0 HG3 GLU B 865 -3.837 27.332 7.229 1.00 32.94 H new ATOM 2925 N LYS B 866 -3.148 31.011 10.872 1.00 27.33 N ATOM 2926 CA LYS B 866 -2.782 32.393 11.254 1.00 30.86 C ATOM 2927 C LYS B 866 -1.883 32.413 12.467 1.00 25.70 C ATOM 2928 O LYS B 866 -0.937 33.195 12.547 1.00 26.66 O ATOM 2929 CB LYS B 866 -4.008 33.226 11.668 1.00 36.57 C ATOM 2930 CG LYS B 866 -4.948 33.613 10.568 1.00 50.52 C ATOM 2931 CD LYS B 866 -6.240 34.234 11.144 1.00 60.43 C ATOM 2932 CE LYS B 866 -6.901 35.209 10.171 1.00 63.35 C ATOM 2933 NZ LYS B 866 -7.384 34.547 8.933 1.00 60.12 N ATOM 0 H LYS B 866 -3.977 30.815 10.991 1.00 27.33 H new ATOM 0 HA LYS B 866 -2.349 32.760 10.467 1.00 30.86 H new ATOM 0 HB2 LYS B 866 -4.506 32.725 12.333 1.00 36.57 H new ATOM 0 HB3 LYS B 866 -3.694 34.036 12.100 1.00 36.57 H new ATOM 0 HG2 LYS B 866 -4.515 34.248 9.975 1.00 50.52 H new ATOM 0 HG3 LYS B 866 -5.169 32.833 10.036 1.00 50.52 H new ATOM 0 HD2 LYS B 866 -6.866 33.526 11.364 1.00 60.43 H new ATOM 0 HD3 LYS B 866 -6.033 34.697 11.971 1.00 60.43 H new ATOM 0 HE2 LYS B 866 -7.647 35.644 10.612 1.00 63.35 H new ATOM 0 HE3 LYS B 866 -6.267 35.904 9.935 1.00 63.35 H new ATOM 0 HZ1 LYS B 866 -7.667 35.164 8.357 1.00 60.12 H new ATOM 0 HZ2 LYS B 866 -6.720 34.082 8.566 1.00 60.12 H new ATOM 0 HZ3 LYS B 866 -8.055 33.998 9.132 1.00 60.12 H new ATOM 2934 N ASN B 867 -2.150 31.529 13.429 1.00 23.81 N ATOM 2935 CA ASN B 867 -1.279 31.480 14.635 1.00 22.53 C ATOM 2936 C ASN B 867 0.094 30.908 14.297 1.00 20.65 C ATOM 2937 O ASN B 867 1.087 31.347 14.851 1.00 26.36 O ATOM 2938 CB ASN B 867 -1.986 30.733 15.794 1.00 23.80 C ATOM 2939 CG ASN B 867 -3.049 31.626 16.491 1.00 24.90 C ATOM 2940 OD1 ASN B 867 -2.678 32.548 17.201 1.00 26.20 O ATOM 2941 ND2 ASN B 867 -4.299 31.396 16.236 1.00 26.01 N ATOM 0 H ASN B 867 -2.800 30.966 13.418 1.00 23.81 H new ATOM 0 HA ASN B 867 -1.124 32.385 14.947 1.00 22.53 H new ATOM 0 HB2 ASN B 867 -2.411 29.932 15.451 1.00 23.80 H new ATOM 0 HB3 ASN B 867 -1.326 30.447 16.445 1.00 23.80 H new ATOM 0 HD21 ASN B 867 -4.907 31.903 16.572 1.00 26.01 H new ATOM 0 HD22 ASN B 867 -4.520 30.736 15.731 1.00 26.01 H new ATOM 2942 N PHE B 868 0.132 29.938 13.402 1.00 21.91 N ATOM 2943 CA PHE B 868 1.416 29.340 12.959 1.00 21.95 C ATOM 2944 C PHE B 868 2.309 30.420 12.347 1.00 24.59 C ATOM 2945 O PHE B 868 3.431 30.573 12.710 1.00 21.71 O ATOM 2946 CB PHE B 868 1.116 28.276 11.936 1.00 23.43 C ATOM 2947 CG PHE B 868 2.332 27.613 11.337 1.00 25.95 C ATOM 2948 CD1 PHE B 868 3.301 26.982 12.152 1.00 25.56 C ATOM 2949 CD2 PHE B 868 2.525 27.610 9.959 1.00 31.49 C ATOM 2950 CE1 PHE B 868 4.429 26.387 11.588 1.00 28.33 C ATOM 2951 CE2 PHE B 868 3.667 27.008 9.395 1.00 35.32 C ATOM 2952 CZ PHE B 868 4.613 26.377 10.223 1.00 28.71 C ATOM 0 H PHE B 868 -0.565 29.600 13.029 1.00 21.91 H new ATOM 0 HA PHE B 868 1.881 28.950 13.715 1.00 21.95 H new ATOM 0 HB2 PHE B 868 0.562 27.595 12.349 1.00 23.43 H new ATOM 0 HB3 PHE B 868 0.593 28.671 11.221 1.00 23.43 H new ATOM 0 HD1 PHE B 868 3.184 26.964 13.074 1.00 25.56 H new ATOM 0 HD2 PHE B 868 1.894 28.009 9.405 1.00 31.49 H new ATOM 0 HE1 PHE B 868 5.065 25.992 12.140 1.00 28.33 H new ATOM 0 HE2 PHE B 868 3.796 27.028 8.474 1.00 35.32 H new ATOM 0 HZ PHE B 868 5.355 25.957 9.852 1.00 28.71 H new ATOM 2953 N ARG B 869 1.781 31.208 11.412 1.00 23.72 N ATOM 2954 CA ARG B 869 2.580 32.317 10.814 1.00 28.16 C ATOM 2955 C ARG B 869 2.994 33.363 11.819 1.00 29.75 C ATOM 2956 O ARG B 869 4.082 33.860 11.775 1.00 33.43 O ATOM 2957 CB ARG B 869 1.832 32.952 9.608 1.00 30.19 C ATOM 2958 CG ARG B 869 1.561 31.963 8.507 1.00 33.81 C ATOM 2959 CD ARG B 869 0.975 32.668 7.258 1.00 37.66 C ATOM 2960 NE ARG B 869 -0.265 33.375 7.578 1.00 38.95 N ATOM 2961 CZ ARG B 869 -1.490 32.887 7.368 1.00 44.27 C ATOM 2962 NH1 ARG B 869 -1.686 31.669 6.841 1.00 42.13 N ATOM 2963 NH2 ARG B 869 -2.541 33.620 7.707 1.00 46.92 N ATOM 0 H ARG B 869 0.981 31.132 11.106 1.00 23.72 H new ATOM 0 HA ARG B 869 3.404 31.919 10.491 1.00 28.16 H new ATOM 0 HB2 ARG B 869 0.992 33.327 9.915 1.00 30.19 H new ATOM 0 HB3 ARG B 869 2.359 33.686 9.256 1.00 30.19 H new ATOM 0 HG2 ARG B 869 2.383 31.506 8.269 1.00 33.81 H new ATOM 0 HG3 ARG B 869 0.941 31.286 8.821 1.00 33.81 H new ATOM 0 HD2 ARG B 869 1.625 33.295 6.904 1.00 37.66 H new ATOM 0 HD3 ARG B 869 0.806 32.012 6.564 1.00 37.66 H new ATOM 0 HE ARG B 869 -0.201 34.159 7.925 1.00 38.95 H new ATOM 0 HH11 ARG B 869 -1.012 31.179 6.628 1.00 42.13 H new ATOM 0 HH12 ARG B 869 -2.486 31.378 6.716 1.00 42.13 H new ATOM 0 HH21 ARG B 869 -2.428 34.398 8.057 1.00 46.92 H new ATOM 0 HH22 ARG B 869 -3.336 33.318 7.577 1.00 46.92 H new ATOM 2964 N ASN B 870 2.145 33.679 12.787 1.00 29.30 N ATOM 2965 CA ASN B 870 2.495 34.669 13.784 1.00 31.89 C ATOM 2966 C ASN B 870 3.517 34.159 14.777 1.00 34.57 C ATOM 2967 O ASN B 870 4.443 34.860 15.121 1.00 31.08 O ATOM 2968 CB ASN B 870 1.243 35.070 14.534 1.00 35.36 C ATOM 2969 CG ASN B 870 1.511 36.083 15.577 1.00 46.77 C ATOM 2970 OD1 ASN B 870 1.426 35.799 16.775 1.00 59.22 O ATOM 2971 ND2 ASN B 870 1.903 37.261 15.152 1.00 55.91 N ATOM 0 H ASN B 870 1.364 33.331 12.882 1.00 29.30 H new ATOM 0 HA ASN B 870 2.889 35.425 13.321 1.00 31.89 H new ATOM 0 HB2 ASN B 870 0.591 35.420 13.907 1.00 35.36 H new ATOM 0 HB3 ASN B 870 0.849 34.284 14.944 1.00 35.36 H new ATOM 0 HD21 ASN B 870 2.114 37.874 15.717 1.00 55.91 H new ATOM 0 HD22 ASN B 870 1.949 37.420 14.308 1.00 55.91 H new ATOM 2972 N ILE B 871 3.322 32.935 15.277 1.00 31.22 N ATOM 2973 CA ILE B 871 4.221 32.382 16.322 1.00 29.69 C ATOM 2974 C ILE B 871 5.611 32.159 15.744 1.00 27.98 C ATOM 2975 O ILE B 871 6.610 32.452 16.419 1.00 30.85 O ATOM 2976 CB ILE B 871 3.635 31.092 16.943 1.00 29.58 C ATOM 2977 CG1 ILE B 871 2.446 31.512 17.783 1.00 29.94 C ATOM 2978 CG2 ILE B 871 4.651 30.378 17.853 1.00 34.08 C ATOM 2979 CD1 ILE B 871 1.428 30.407 18.022 1.00 30.53 C ATOM 0 H ILE B 871 2.687 32.409 15.034 1.00 31.22 H new ATOM 0 HA ILE B 871 4.296 33.026 17.044 1.00 29.69 H new ATOM 0 HB ILE B 871 3.393 30.475 16.234 1.00 29.58 H new ATOM 0 HG12 ILE B 871 2.766 31.834 18.640 1.00 29.94 H new ATOM 0 HG13 ILE B 871 2.003 32.257 17.348 1.00 29.94 H new ATOM 0 HG21 ILE B 871 4.248 29.577 18.222 1.00 34.08 H new ATOM 0 HG22 ILE B 871 5.435 30.136 17.336 1.00 34.08 H new ATOM 0 HG23 ILE B 871 4.911 30.971 18.575 1.00 34.08 H new ATOM 0 HD11 ILE B 871 0.700 30.749 18.564 1.00 30.53 H new ATOM 0 HD12 ILE B 871 1.079 30.098 17.171 1.00 30.53 H new ATOM 0 HD13 ILE B 871 1.855 29.668 18.483 1.00 30.53 H new ATOM 2980 N PHE B 872 5.680 31.618 14.530 1.00 27.49 N ATOM 2981 CA PHE B 872 6.972 31.309 13.896 1.00 26.85 C ATOM 2982 C PHE B 872 7.478 32.422 12.940 1.00 35.29 C ATOM 2983 O PHE B 872 8.442 32.220 12.190 1.00 37.01 O ATOM 2984 CB PHE B 872 6.892 29.977 13.181 1.00 30.65 C ATOM 2985 CG PHE B 872 6.820 28.795 14.118 1.00 29.67 C ATOM 2986 CD1 PHE B 872 7.979 28.194 14.576 1.00 33.69 C ATOM 2987 CD2 PHE B 872 5.600 28.304 14.580 1.00 33.26 C ATOM 2988 CE1 PHE B 872 7.927 27.113 15.436 1.00 27.14 C ATOM 2989 CE2 PHE B 872 5.536 27.211 15.423 1.00 30.76 C ATOM 2990 CZ PHE B 872 6.718 26.615 15.852 1.00 27.85 C ATOM 0 H PHE B 872 4.993 31.420 14.052 1.00 27.49 H new ATOM 0 HA PHE B 872 7.628 31.258 14.609 1.00 26.85 H new ATOM 0 HB2 PHE B 872 6.111 29.973 12.606 1.00 30.65 H new ATOM 0 HB3 PHE B 872 7.668 29.879 12.607 1.00 30.65 H new ATOM 0 HD1 PHE B 872 8.805 28.522 14.301 1.00 33.69 H new ATOM 0 HD2 PHE B 872 4.812 28.721 14.315 1.00 33.26 H new ATOM 0 HE1 PHE B 872 8.716 26.721 15.734 1.00 27.14 H new ATOM 0 HE2 PHE B 872 4.713 26.878 15.700 1.00 30.76 H new ATOM 0 HZ PHE B 872 6.689 25.879 16.420 1.00 27.85 H new ATOM 2991 N ALA B 873 6.820 33.594 12.972 1.00 32.50 N ATOM 2992 CA ALA B 873 7.171 34.758 12.136 1.00 37.74 C ATOM 2993 C ALA B 873 7.422 34.428 10.687 1.00 37.23 C ATOM 2994 O ALA B 873 8.471 34.732 10.171 1.00 40.39 O ATOM 2995 CB ALA B 873 8.370 35.488 12.745 1.00 37.43 C ATOM 0 H ALA B 873 6.147 33.736 13.488 1.00 32.50 H new ATOM 0 HA ALA B 873 6.393 35.338 12.133 1.00 37.74 H new ATOM 0 HB1 ALA B 873 8.598 36.252 12.193 1.00 37.43 H new ATOM 0 HB2 ALA B 873 8.145 35.791 13.639 1.00 37.43 H new ATOM 0 HB3 ALA B 873 9.128 34.884 12.790 1.00 37.43 H new ATOM 2996 N ILE B 874 6.460 33.788 10.044 1.00 40.94 N ATOM 2997 CA ILE B 874 6.596 33.305 8.649 1.00 42.91 C ATOM 2998 C ILE B 874 6.247 34.480 7.758 1.00 52.76 C ATOM 2999 O ILE B 874 5.263 35.178 8.059 1.00 48.05 O ATOM 3000 CB ILE B 874 5.566 32.213 8.326 1.00 42.04 C ATOM 3001 CG1 ILE B 874 5.719 30.993 9.260 1.00 47.96 C ATOM 3002 CG2 ILE B 874 5.573 31.847 6.841 1.00 43.29 C ATOM 3003 CD1 ILE B 874 6.655 29.929 8.805 1.00 49.50 C ATOM 0 H ILE B 874 5.695 33.613 10.397 1.00 40.94 H new ATOM 0 HA ILE B 874 7.491 32.953 8.520 1.00 42.91 H new ATOM 0 HB ILE B 874 4.684 32.575 8.503 1.00 42.04 H new ATOM 0 HG12 ILE B 874 6.016 31.309 10.128 1.00 47.96 H new ATOM 0 HG13 ILE B 874 4.844 30.595 9.387 1.00 47.96 H new ATOM 0 HG21 ILE B 874 4.912 31.157 6.675 1.00 43.29 H new ATOM 0 HG22 ILE B 874 5.360 32.632 6.313 1.00 43.29 H new ATOM 0 HG23 ILE B 874 6.452 31.520 6.592 1.00 43.29 H new ATOM 0 HD11 ILE B 874 6.676 29.214 9.461 1.00 49.50 H new ATOM 0 HD12 ILE B 874 6.355 29.577 7.953 1.00 49.50 H new ATOM 0 HD13 ILE B 874 7.545 30.302 8.705 1.00 49.50 H new ATOM 3004 N GLN B 875 7.018 34.689 6.684 1.00 59.23 N ATOM 3005 CA GLN B 875 6.751 35.737 5.660 1.00 68.50 C ATOM 3006 C GLN B 875 5.248 35.904 5.242 1.00 84.15 C ATOM 3007 O GLN B 875 4.500 34.912 5.125 1.00 86.78 O ATOM 3008 CB GLN B 875 7.608 35.465 4.408 1.00 69.26 C ATOM 3009 CG GLN B 875 7.408 34.076 3.763 1.00 71.58 C ATOM 3010 CD GLN B 875 7.508 34.079 2.222 1.00 78.75 C ATOM 3011 OE1 GLN B 875 8.305 34.818 1.628 1.00 80.62 O ATOM 3012 NE2 GLN B 875 6.700 33.246 1.572 1.00 72.71 N ATOM 0 H GLN B 875 7.723 34.224 6.520 1.00 59.23 H new ATOM 0 HA GLN B 875 6.992 36.575 6.084 1.00 68.50 H new ATOM 0 HB2 GLN B 875 7.411 36.145 3.745 1.00 69.26 H new ATOM 0 HB3 GLN B 875 8.543 35.563 4.646 1.00 69.26 H new ATOM 0 HG2 GLN B 875 8.072 33.465 4.120 1.00 71.58 H new ATOM 0 HG3 GLN B 875 6.538 33.732 4.021 1.00 71.58 H new ATOM 0 HE21 GLN B 875 6.156 32.744 2.011 1.00 72.71 H new ATOM 0 HE22 GLN B 875 6.721 33.209 0.713 1.00 72.71 H new ATOM 3013 N GLU B 876 4.818 37.153 5.023 1.00 95.65 N ATOM 3014 CA GLU B 876 3.428 37.460 4.622 1.00 98.07 C ATOM 3015 C GLU B 876 3.265 37.380 3.096 1.00100.38 C ATOM 3016 O GLU B 876 3.733 36.432 2.446 1.00 94.27 O ATOM 3017 CB GLU B 876 2.999 38.847 5.135 1.00 93.27 C ATOM 0 H GLU B 876 5.320 37.847 5.101 1.00 95.65 H new ATOM 0 HA GLU B 876 2.851 36.793 5.026 1.00 98.07 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.324 7.821 4.183 1.00 28.23 ZN2+ HETATM 3020 ZN ZN A 902 22.543 -6.440 2.793 1.00 32.91 ZN2+ HETATM 3021 ZN ZN A 903 34.563 -20.686 14.280 0.43 88.01 ZN2+ HETATM 3022 O1 MES A 904 19.387 32.165 23.639 0.59 38.68 O HETATM 3023 C2 MES A 904 18.784 31.908 24.891 0.59 35.39 C HETATM 3024 C3 MES A 904 18.715 30.404 25.100 0.59 34.71 C HETATM 3025 N4 MES A 904 17.948 29.751 24.005 0.59 31.79 N HETATM 3026 C5 MES A 904 18.310 30.197 22.645 0.59 32.26 C HETATM 3027 C6 MES A 904 18.668 31.694 22.506 0.59 35.18 C HETATM 3028 C7 MES A 904 17.903 28.240 24.087 0.59 31.60 C HETATM 3029 C8 MES A 904 18.135 27.579 25.457 0.59 29.21 C HETATM 3030 S MES A 904 17.376 26.053 25.667 0.59 29.39 S HETATM 3031 O1S MES A 904 17.975 25.253 26.716 0.59 30.06 O HETATM 3032 O2S MES A 904 17.406 25.328 24.420 0.59 27.55 O HETATM 3033 O3S MES A 904 15.994 26.406 26.144 0.59 26.89 O HETATM 0 HN4 MES A 904 17.148 30.032 24.148 0.59 31.79 H new HETATM 0 H82 MES A 904 19.090 27.471 25.591 0.59 29.21 H new HETATM 0 H81 MES A 904 17.818 28.180 26.149 0.59 29.21 H new HETATM 0 H72 MES A 904 17.036 27.951 23.762 0.59 31.60 H new HETATM 0 H71 MES A 904 18.567 27.890 23.473 0.59 31.60 H new HETATM 0 H62 MES A 904 17.856 32.213 22.398 0.59 35.18 H new HETATM 0 H61 MES A 904 19.199 31.828 21.706 0.59 35.18 H new HETATM 0 H52 MES A 904 19.065 29.671 22.340 0.59 32.26 H new HETATM 0 H51 MES A 904 17.569 30.002 22.050 0.59 32.26 H new HETATM 0 H32 MES A 904 19.612 30.037 25.135 0.59 34.71 H new HETATM 0 H31 MES A 904 18.296 30.211 25.953 0.59 34.71 H new HETATM 0 H22 MES A 904 19.296 32.323 25.602 0.59 35.39 H new HETATM 0 H21 MES A 904 17.894 32.293 24.921 0.59 35.39 H new HETATM 3034 C1 EDO A 905 31.977 -0.519 31.949 1.00 68.79 C HETATM 3035 O1 EDO A 905 30.592 -0.141 31.807 1.00 70.52 O HETATM 3036 C2 EDO A 905 32.144 -1.934 32.479 1.00 64.69 C HETATM 3037 O2 EDO A 905 33.229 -2.623 31.819 1.00 53.75 O HETATM 0 HO2 EDO A 905 33.214 -3.436 32.029 1.00 53.75 H new HETATM 0 HO1 EDO A 905 30.212 -0.664 31.271 1.00 70.52 H new HETATM 0 H22 EDO A 905 32.311 -1.905 33.434 1.00 64.69 H new HETATM 0 H21 EDO A 905 31.319 -2.428 32.350 1.00 64.69 H new HETATM 0 H12 EDO A 905 32.419 -0.445 31.089 1.00 68.79 H new HETATM 0 H11 EDO A 905 32.419 0.102 32.549 1.00 68.79 H new HETATM 3038 ZN ZN B 901 -10.350 25.353 30.949 1.00 24.40 ZN2+ HETATM 3039 ZN ZN B 902 0.882 34.641 32.201 1.00 27.40 ZN2+ HETATM 3040 C1 EDO B 903 12.809 26.435 28.524 1.00 63.92 C HETATM 3041 O1 EDO B 903 11.504 26.272 29.084 1.00 53.52 O HETATM 3042 C2 EDO B 903 12.771 26.583 27.001 1.00 65.16 C HETATM 3043 O2 EDO B 903 11.808 27.546 26.555 1.00 63.02 O HETATM 0 HO2 EDO B 903 11.232 27.665 27.155 1.00 63.02 H new HETATM 0 HO1 EDO B 903 11.285 26.972 29.493 1.00 53.52 H new HETATM 0 H22 EDO B 903 13.650 26.842 26.684 1.00 65.16 H new HETATM 0 H21 EDO B 903 12.568 25.722 26.603 1.00 65.16 H new HETATM 0 H12 EDO B 903 13.230 27.217 28.913 1.00 63.92 H new HETATM 0 H11 EDO B 903 13.358 25.671 28.759 1.00 63.92 H new HETATM 3044 O HOH A1001 16.310 23.394 27.386 1.00124.03 O HETATM 3045 O HOH A1002 45.085 1.346 23.168 1.00 46.77 O HETATM 3046 O HOH A1003 18.986 5.163 28.980 1.00 42.02 O HETATM 3047 O HOH A1004 19.651 25.381 33.257 1.00 50.43 O HETATM 3048 O HOH A1005 19.263 -0.355 27.276 1.00 56.07 O HETATM 3049 O HOH A1006 10.631 -0.164 -0.651 1.00 63.70 O HETATM 3050 O HOH A1007 34.753 4.874 6.821 1.00 41.13 O HETATM 3051 O HOH A1008 26.070 18.683 35.986 1.00 54.12 O HETATM 3052 O HOH A1009 36.486 0.657 30.256 1.00 52.51 O HETATM 3053 O HOH A1010 29.726 -8.428 33.968 1.00116.82 O HETATM 3054 O HOH A1011 15.997 15.649 34.824 1.00 52.60 O HETATM 3055 O HOH A1012 29.381 14.757 30.949 1.00 37.58 O HETATM 3056 O HOH A1013 19.630 15.792 33.984 1.00 49.70 O HETATM 3057 O HOH A1014 39.557 -9.961 24.481 1.00 48.69 O HETATM 3058 O HOH A1015 16.864 -1.959 9.746 1.00 53.11 O HETATM 3059 O HOH A1016 32.436 21.836 20.267 1.00 28.62 O HETATM 3060 O HOH A1017 13.969 5.098 26.875 1.00 60.30 O HETATM 3061 O HOH A1018 30.932 21.152 13.497 1.00 36.60 O HETATM 3062 O HOH A1019 25.670 22.225 14.697 1.00 33.16 O HETATM 3063 O HOH A1020 26.636 -3.871 28.715 1.00 26.52 O HETATM 3064 O HOH A1021 19.496 -11.443 2.522 1.00 55.95 O HETATM 3065 O HOH A1022 33.396 23.643 30.488 1.00 66.45 O HETATM 3066 O BHOH A1023 19.146 12.673 29.892 0.64 36.29 O HETATM 3067 O HOH A1024 34.845 -1.418 8.022 1.00 27.24 O HETATM 3068 O HOH A1025 30.037 -17.240 27.501 1.00 61.23 O HETATM 3069 O HOH A1026 35.633 -1.783 31.660 1.00 42.01 O HETATM 3070 O HOH A1027 14.271 0.135 27.841 1.00 65.59 O HETATM 3071 O HOH A1028 15.482 3.038 16.803 1.00 31.21 O HETATM 3072 O HOH A1029 46.027 -7.323 17.796 1.00 60.08 O HETATM 3073 O HOH A1030 31.012 6.734 -0.776 1.00 45.13 O HETATM 3074 O HOH A1031 23.407 -14.187 33.726 1.00 29.89 O HETATM 3075 O HOH A1032 35.492 10.133 25.631 1.00 31.91 O HETATM 3076 O HOH A1033 35.013 3.319 -2.734 1.00 65.06 O HETATM 3077 O HOH A1034 12.447 7.957 16.978 1.00 61.48 O HETATM 3078 O HOH A1035 29.036 7.112 6.283 1.00 29.80 O HETATM 3079 O HOH A1036 38.607 11.982 6.791 1.00102.98 O HETATM 3080 O HOH A1037 22.906 -8.188 10.346 1.00 43.93 O HETATM 3081 O HOH A1038 26.312 20.791 31.994 1.00 36.21 O HETATM 3082 O HOH A1039 30.422 -5.610 -0.896 1.00 59.49 O HETATM 3083 O HOH A1040 17.171 27.310 32.472 1.00 61.47 O HETATM 3084 O HOH A1041 14.696 4.272 23.529 1.00 32.53 O HETATM 3085 O HOH A1042 24.551 17.851 25.057 1.00 24.43 O HETATM 3086 O HOH A1043 40.224 -7.276 18.577 1.00 35.60 O HETATM 3087 O HOH A1044 20.249 34.628 24.034 1.00 83.19 O HETATM 3088 O HOH A1045 19.829 24.290 23.981 1.00 43.80 O HETATM 3089 O HOH A1046 23.347 -13.386 18.096 1.00 66.43 O HETATM 3090 O HOH A1047 22.955 -8.935 27.016 1.00 48.84 O HETATM 3091 O HOH A1048 15.199 -4.229 -6.493 1.00 66.27 O HETATM 3092 O HOH A1049 24.322 -13.469 22.212 1.00 24.23 O HETATM 3093 O HOH A1050 13.179 6.332 14.164 1.00 39.49 O HETATM 3094 O HOH A1051 28.847 -16.025 29.951 1.00 46.65 O HETATM 3095 O HOH A1052 19.040 11.273 -2.607 1.00 40.65 O HETATM 3096 O HOH A1053 20.761 -0.630 29.444 1.00 46.81 O HETATM 3097 O HOH A1054 23.053 8.772 -2.085 1.00 35.58 O HETATM 3098 O HOH A1055 35.192 17.958 21.995 1.00 42.02 O HETATM 3099 O HOH A1056 19.119 -5.753 12.608 1.00 57.87 O HETATM 3100 O HOH A1057 14.204 4.745 29.474 1.00 62.82 O HETATM 3101 O HOH A1058 29.972 -11.926 15.791 1.00 39.58 O HETATM 3102 O HOH A1059 37.707 8.262 25.920 1.00 47.37 O HETATM 3103 O HOH A1060 30.478 -21.154 23.437 1.00 27.42 O HETATM 3104 O HOH A1061 20.623 -9.135 8.600 1.00 53.62 O HETATM 3105 O HOH A1062 37.420 11.348 22.639 1.00 46.46 O HETATM 3106 O HOH A1063 22.428 17.569 15.903 1.00 30.98 O HETATM 3107 O HOH A1064 14.668 10.815 8.242 1.00 45.68 O HETATM 3108 O HOH A1065 34.864 -11.698 4.592 1.00 68.92 O HETATM 3109 O HOH A1066 48.120 -0.669 24.503 1.00 53.79 O HETATM 3110 O BHOH A1067 21.056 8.454 29.731 0.92 62.71 O HETATM 3111 O HOH A1068 34.731 -13.776 9.713 1.00 52.19 O HETATM 3112 O HOH A1069 9.300 9.657 22.550 1.00 34.31 O HETATM 3113 O HOH A1070 31.588 -9.983 21.291 1.00 36.71 O HETATM 3114 O HOH A1071 24.990 27.694 29.162 1.00 25.89 O HETATM 3115 O HOH A1072 32.860 6.227 5.206 1.00 46.08 O HETATM 3116 O HOH A1073 10.845 6.204 25.432 1.00 61.71 O HETATM 3117 O HOH A1074 25.655 15.648 23.756 1.00 17.89 O HETATM 3118 O HOH A1075 17.447 -12.865 28.467 1.00 48.49 O HETATM 3119 O HOH A1076 19.079 26.326 17.822 1.00 64.19 O HETATM 3120 O HOH A1077 16.666 3.986 30.382 1.00 54.88 O HETATM 3121 O HOH A1078 17.934 -8.176 27.854 1.00 52.09 O HETATM 3122 O HOH A1079 20.116 -6.931 26.261 1.00 44.92 O HETATM 3123 O HOH A1080 31.094 -11.559 19.417 1.00 49.29 O HETATM 3124 O HOH A1081 29.735 -2.865 3.243 1.00 35.34 O HETATM 3125 O HOH A1082 31.649 25.059 29.860 1.00 47.25 O HETATM 3126 O HOH A1083 15.846 12.443 12.246 1.00 43.48 O HETATM 3127 O HOH A1084 37.113 13.123 14.688 1.00 50.26 O HETATM 3128 O HOH A1085 40.367 -0.127 10.178 1.00 40.02 O HETATM 3129 O HOH A1086 34.247 4.119 9.160 1.00 25.09 O HETATM 3130 O BHOH A1087 21.162 11.172 28.628 0.62 26.61 O HETATM 3131 O HOH A1088 24.682 -2.055 28.062 1.00 29.07 O HETATM 3132 O HOH A1089 28.161 17.059 23.923 1.00 18.08 O HETATM 3133 O HOH A1090 11.433 20.777 26.376 1.00 31.48 O HETATM 3134 O HOH A1091 18.277 -3.330 16.111 1.00 51.67 O HETATM 3135 O HOH A1092 14.890 1.508 23.468 1.00 48.14 O HETATM 3136 O HOH A1093 32.004 8.383 28.600 1.00 25.29 O HETATM 3137 O HOH A1094 21.896 -4.238 -5.982 1.00 71.05 O HETATM 3138 O HOH A1095 12.846 5.341 19.742 1.00 62.97 O HETATM 3139 O HOH A1096 30.092 22.317 21.591 1.00 25.50 O HETATM 3140 O HOH A1097 17.732 -0.437 17.252 1.00 30.56 O HETATM 3141 O HOH A1098 24.221 -11.504 20.286 1.00 42.23 O HETATM 3142 O HOH A1099 14.388 1.040 7.980 1.00 50.49 O HETATM 3143 O HOH A1100 27.667 -1.202 31.603 1.00 58.73 O HETATM 3144 O HOH A1101 21.592 26.292 38.073 1.00 59.32 O HETATM 3145 O HOH A1102 23.683 -7.924 29.885 1.00 47.48 O HETATM 3146 O HOH A1103 17.771 1.691 15.808 1.00 22.70 O HETATM 3147 O HOH A1104 16.902 7.996 11.319 1.00 31.40 O HETATM 3148 O HOH A1105 34.244 -13.856 20.968 1.00 60.80 O HETATM 3149 O HOH A1106 37.584 8.015 23.169 1.00 31.30 O HETATM 3150 O HOH A1107 42.276 1.761 14.722 1.00 43.53 O HETATM 3151 O HOH A1108 31.744 -10.171 6.790 1.00 43.98 O HETATM 3152 O HOH A1109 26.218 11.348 9.088 1.00 49.69 O HETATM 3153 O HOH A1110 7.264 17.231 26.398 1.00 65.44 O HETATM 3154 O HOH A1111 37.467 -2.884 30.446 1.00 43.50 O HETATM 3155 O HOH A1112 16.262 -0.232 2.762 1.00 32.86 O HETATM 3156 O HOH A1113 31.287 12.796 9.676 1.00 45.21 O HETATM 3157 O HOH A1114 20.022 -6.203 -5.584 1.00 67.31 O HETATM 3158 O HOH A1115 31.907 -4.288 33.619 1.00 50.06 O HETATM 3159 O HOH A1116 20.140 11.487 12.285 1.00 32.47 O HETATM 3160 O HOH A1117 36.017 11.550 18.884 1.00 43.10 O HETATM 3161 O HOH A1118 26.012 7.920 29.205 1.00 40.21 O HETATM 3162 O HOH A1119 35.731 -20.336 19.654 1.00 61.02 O HETATM 3163 O HOH A1120 20.127 19.085 19.933 1.00 38.39 O HETATM 3164 O HOH A1121 39.894 -7.918 25.573 1.00 35.56 O HETATM 3165 O HOH A1122 15.535 25.733 22.383 1.00 25.92 O HETATM 3166 O HOH A1123 33.658 -9.035 34.012 1.00 65.05 O HETATM 3167 O HOH A1124 24.598 7.336 9.088 1.00 29.45 O HETATM 3168 O HOH A1125 44.160 3.324 15.467 1.00 52.63 O HETATM 3169 O HOH A1126 38.880 -9.523 15.405 1.00 51.56 O HETATM 3170 O HOH A1127 40.643 -0.079 12.963 1.00 35.17 O HETATM 3171 O HOH A1128 36.610 -3.275 9.145 1.00 26.75 O HETATM 3172 O HOH A1129 27.177 -21.172 10.762 1.00 59.73 O HETATM 3173 O HOH A1130 21.492 -4.986 16.700 1.00 30.36 O HETATM 3174 O HOH A1131 32.121 16.535 29.105 1.00 25.64 O HETATM 3175 O HOH A1132 29.063 -7.661 31.224 1.00 27.83 O HETATM 3176 O HOH A1133 15.913 28.234 28.291 1.00 36.55 O HETATM 3177 O HOH A1134 25.567 23.147 34.317 1.00 50.20 O HETATM 3178 O HOH A1135 9.389 7.730 3.157 1.00 65.29 O HETATM 3179 O HOH A1136 38.076 3.480 8.651 1.00 49.66 O HETATM 3180 O HOH A1137 26.933 -9.432 31.610 1.00 38.98 O HETATM 3181 O HOH A1138 28.928 -10.601 3.630 1.00 43.30 O HETATM 3182 O HOH A1139 42.440 -7.194 21.390 1.00 38.77 O HETATM 3183 O HOH A1140 24.391 17.418 19.245 1.00 21.18 O HETATM 3184 O HOH A1141 19.297 -7.953 -3.146 1.00 60.85 O HETATM 3185 O HOH A1142 24.341 -8.591 15.584 1.00 43.27 O HETATM 3186 O HOH A1143 32.546 6.062 10.059 1.00 24.71 O HETATM 3187 O HOH A1144 27.941 27.107 28.361 1.00 34.09 O HETATM 3188 O HOH A1145 30.611 23.343 26.135 1.00 37.33 O HETATM 3189 O HOH A1146 38.941 3.332 14.777 1.00 30.28 O HETATM 3190 O HOH A1147 27.070 -8.892 15.850 1.00 47.36 O HETATM 3191 O HOH A1148 19.951 -6.396 23.420 1.00 29.03 O HETATM 3192 O HOH A1149 33.901 -14.775 12.275 1.00 49.97 O HETATM 3193 O HOH A1150 22.029 26.083 24.232 1.00 29.84 O HETATM 3194 O HOH A1151 20.774 3.050 28.686 1.00 50.75 O HETATM 3195 O HOH A1152 27.676 -11.258 1.493 1.00 64.72 O HETATM 3196 O HOH A1153 36.893 8.196 28.800 1.00 74.65 O HETATM 3197 O HOH A1154 24.111 10.377 1.198 1.00 36.66 O HETATM 3198 O HOH A1155 19.764 30.849 27.636 1.00102.56 O HETATM 3199 O HOH A1156 17.146 -1.772 27.645 1.00 63.59 O HETATM 3200 O HOH A1157 27.072 18.803 30.183 1.00 25.97 O HETATM 3201 O HOH A1158 12.795 -2.756 27.403 1.00 46.58 O HETATM 3202 O HOH A1159 25.023 9.291 -3.766 1.00 53.84 O HETATM 3203 O HOH A1160 39.361 -8.695 12.734 1.00 40.62 O HETATM 3204 O HOH A1161 13.626 5.978 11.860 1.00 56.15 O HETATM 3205 O HOH A1162 35.232 0.979 -4.268 1.00 79.29 O HETATM 3206 O HOH A1163 32.118 -16.024 25.199 1.00 60.65 O HETATM 3207 O HOH A1164 25.549 29.613 33.373 1.00 48.57 O HETATM 3208 O HOH A1165 25.388 -12.461 5.079 1.00 52.47 O HETATM 3209 O HOH A1166 34.137 -12.075 27.715 1.00 30.66 O HETATM 3210 O HOH A1167 22.399 18.022 23.662 1.00 29.95 O HETATM 3211 O HOH A1168 23.838 18.764 35.971 1.00 53.23 O HETATM 3212 O HOH A1169 19.380 27.280 20.712 1.00 63.28 O HETATM 3213 O HOH A1170 27.723 -11.121 33.287 1.00 57.12 O HETATM 3214 O HOH A1171 21.193 20.018 22.286 1.00 35.59 O HETATM 3215 O HOH A1172 18.000 30.243 28.854 1.00 41.22 O HETATM 3216 O HOH A1173 22.137 6.092 32.502 1.00 55.43 O HETATM 3217 O HOH A1174 30.615 21.836 32.798 1.00 49.39 O HETATM 3218 O HOH A1175 27.835 -15.132 4.116 1.00 63.78 O HETATM 3219 O HOH A1176 34.800 21.852 16.879 1.00 51.13 O HETATM 3220 O HOH A1177 21.718 -13.603 14.825 1.00 59.19 O HETATM 3221 O HOH A1178 25.482 15.729 20.996 1.00 20.40 O HETATM 3222 O HOH A1179 30.546 -13.967 30.122 1.00 43.88 O HETATM 3223 O HOH A1180 15.561 3.387 10.321 1.00 31.55 O HETATM 3224 O HOH A1181 33.331 -12.267 7.271 1.00 64.76 O HETATM 3225 O HOH A1182 32.089 -6.603 32.697 1.00 34.07 O HETATM 3226 O HOH A1183 28.729 -0.076 -4.845 1.00 57.00 O HETATM 3227 O HOH A1184 25.835 2.848 30.255 1.00 51.70 O HETATM 3228 O HOH A1185 21.965 -9.722 24.315 1.00 64.63 O HETATM 3229 O HOH A1186 22.368 0.352 -6.533 1.00 50.25 O HETATM 3230 O HOH A1187 28.559 17.675 11.665 1.00 27.88 O HETATM 3231 O HOH A1188 23.432 -10.473 22.616 1.00 60.76 O HETATM 3232 O HOH A1189 31.321 17.058 12.683 1.00 27.94 O HETATM 3233 O HOH A1190 21.425 -13.047 36.045 1.00 62.59 O HETATM 3234 O HOH A1191 15.348 -4.734 27.507 1.00 60.17 O HETATM 3235 O HOH A1192 44.891 -6.354 23.817 1.00 57.05 O HETATM 3236 O HOH A1193 17.657 -3.006 -7.386 1.00 60.77 O HETATM 3237 O HOH A1194 24.068 15.707 10.334 1.00 38.69 O HETATM 3238 O HOH A1195 32.708 -16.778 22.838 1.00 50.89 O HETATM 3239 O HOH A1196 25.659 -18.331 13.284 1.00 69.43 O HETATM 3240 O HOH A1197 28.463 19.930 13.009 1.00 28.11 O HETATM 3241 O HOH A1198 16.579 22.523 35.047 1.00 61.90 O HETATM 3242 O HOH A1199 32.362 3.303 28.857 1.00 30.35 O HETATM 3243 O HOH A1200 35.895 19.108 18.352 1.00 57.48 O HETATM 3244 O HOH A1201 37.873 12.514 28.067 1.00 84.95 O HETATM 3245 O HOH A1202 40.780 4.080 21.653 1.00 29.99 O HETATM 3246 O HOH A1203 44.319 5.462 21.186 1.00 42.13 O HETATM 3247 O HOH A1204 25.197 -1.088 -5.031 1.00 61.81 O HETATM 3248 O HOH A1205 28.837 -10.308 13.943 1.00 44.43 O HETATM 3249 O HOH A1206 19.895 9.417 10.265 1.00 30.95 O HETATM 3250 O HOH A1207 21.281 17.213 12.938 1.00 50.37 O HETATM 3251 O HOH A1208 31.566 18.147 31.492 1.00 30.92 O HETATM 3252 O HOH A1209 35.722 18.006 15.444 1.00 63.64 O HETATM 3253 O HOH A1210 34.361 22.903 26.285 1.00 55.84 O HETATM 3254 O HOH A1211 21.335 -8.282 29.934 1.00 52.15 O HETATM 3255 O HOH A1212 40.147 4.854 26.029 1.00 50.51 O HETATM 3256 O HOH A1213 34.872 2.583 29.896 1.00 50.47 O HETATM 3257 O HOH A1214 30.884 -3.386 -12.590 1.00 52.73 O HETATM 3258 O HOH A1215 24.444 9.289 30.553 1.00 48.75 O HETATM 3259 O HOH A1216 22.559 20.175 16.743 1.00 54.30 O HETATM 3260 O HOH A1217 23.333 -10.420 12.322 1.00 61.23 O HETATM 3261 O HOH A1218 39.897 4.991 29.810 1.00 50.81 O HETATM 3262 O HOH A1219 36.736 -12.718 22.895 1.00 61.42 O HETATM 3263 O HOH A1220 22.787 22.566 20.731 1.00 38.20 O HETATM 3264 O HOH A1221 26.606 5.542 30.757 1.00 50.00 O HETATM 3265 O HOH A1222 43.152 1.285 27.678 1.00 57.56 O HETATM 3266 O HOH A1223 29.275 -0.766 -7.918 1.00 71.66 O HETATM 3267 O HOH A1224 20.218 -8.761 22.239 1.00 43.86 O HETATM 3268 O HOH A1225 10.606 21.270 30.511 1.00 45.56 O HETATM 3269 O HOH A1226 21.035 28.405 23.038 1.00 40.02 O HETATM 3270 O HOH A1227 15.594 27.390 30.551 1.00 52.69 O HETATM 3271 O HOH A1228 38.068 -8.270 31.762 1.00 46.04 O HETATM 3272 O HOH A1229 5.780 19.227 30.374 1.00 51.24 O HETATM 3273 O HOH A1230 33.944 4.882 2.796 1.00 47.76 O HETATM 3274 O HOH A1231 18.056 -0.973 11.566 1.00 50.58 O HETATM 3275 O HOH A1232 21.347 -9.447 5.940 1.00 50.63 O HETATM 3276 O HOH A1233 34.697 5.791 31.272 1.00 60.54 O HETATM 3277 O HOH A1234 33.617 15.581 12.576 1.00 51.17 O HETATM 3278 O HOH A1235 30.051 9.893 34.184 1.00 54.22 O HETATM 3279 O HOH A1236 28.517 17.727 34.930 1.00 51.56 O HETATM 3280 O HOH A1237 18.005 28.454 27.887 1.00110.58 O HETATM 3281 O HOH A1238 18.279 13.916 34.428 1.00 50.38 O HETATM 3282 O HOH A1239 14.645 2.131 12.643 1.00 50.39 O HETATM 3283 O HOH A1240 21.105 30.998 19.579 1.00 53.81 O HETATM 3284 O HOH A1241 31.472 -4.737 0.987 1.00 70.69 O HETATM 3285 O HOH A1242 28.905 13.487 9.065 1.00 58.65 O HETATM 3286 O HOH A1243 24.201 -12.091 -4.528 1.00 67.12 O HETATM 3287 O HOH A1244 33.552 1.598 31.293 1.00 62.98 O HETATM 3288 O HOH A1245 31.345 11.136 31.813 1.00 40.32 O HETATM 3289 O HOH A1246 24.293 -0.323 30.397 1.00 69.58 O HETATM 3290 O HOH A1247 49.148 -4.557 23.292 1.00 66.19 O HETATM 3291 O HOH A1248 31.661 13.914 31.878 1.00 44.03 O HETATM 3292 O HOH A1249 23.108 -11.797 3.568 1.00 69.51 O HETATM 3293 O HOH A1250 33.379 9.140 4.444 1.00 54.16 O HETATM 3294 O HOH A1251 40.894 3.114 23.947 1.00 42.24 O HETATM 3295 O HOH A1252 33.958 -12.518 18.611 1.00 61.12 O HETATM 3296 O HOH A1253 17.857 25.096 35.596 1.00 60.22 O HETATM 3297 O HOH A1254 27.520 -5.386 31.342 1.00 44.73 O HETATM 3298 O HOH A1255 22.188 30.486 22.009 1.00 46.35 O HETATM 3299 O HOH A1256 40.027 10.249 26.102 1.00 49.88 O HETATM 3300 O HOH A1257 22.769 10.804 3.549 1.00 41.21 O HETATM 3301 O HOH A1258 13.627 3.387 14.678 1.00 42.64 O HETATM 3302 O HOH A1259 34.991 20.503 14.949 1.00 55.52 O HETATM 3303 O HOH A1260 17.752 -10.961 -0.693 1.00 61.53 O HETATM 3304 O HOH A1261 24.322 5.562 32.034 1.00 62.52 O HETATM 3305 O HOH A1262 30.074 9.613 30.024 1.00 26.20 O HETATM 3306 O HOH A1263 33.933 -14.658 26.691 1.00 47.73 O HETATM 3307 O HOH A1264 34.368 9.811 28.489 1.00 42.43 O HETATM 3308 O HOH A1265 23.929 11.871 5.371 1.00 51.82 O HETATM 3309 O HOH A1266 43.695 -8.466 19.406 1.00 56.11 O HETATM 3310 O HOH A1267 28.938 17.685 31.733 1.00 32.41 O HETATM 3311 O HOH A1268 22.728 -8.427 13.335 1.00 59.92 O HETATM 3312 O HOH A1269 31.485 6.859 7.554 1.00 32.59 O HETATM 3313 O HOH A1270 37.153 -0.961 -12.294 1.00 47.15 O HETATM 3314 O HOH A1271 32.977 9.456 7.222 1.00 46.09 O HETATM 3315 O HOH A1272 37.724 13.199 20.046 1.00 58.71 O HETATM 3316 O HOH A1273 32.219 -18.024 25.884 1.00 60.75 O HETATM 3317 O HOH A1274 33.029 -14.822 29.634 1.00 60.86 O HETATM 3318 O HOH A1275 44.551 5.400 23.635 1.00 53.34 O HETATM 3319 O HOH A1276 24.969 20.605 10.474 1.00 59.88 O HETATM 3320 O HOH A1277 37.079 15.574 21.745 1.00 62.26 O HETATM 3321 O HOH A1278 30.850 25.871 27.107 1.00 43.38 O HETATM 3322 O HOH A1279 18.382 11.590 4.371 1.00 59.22 O HETATM 3323 O HOH A1280 10.556 13.449 31.147 1.00 71.72 O HETATM 3324 O HOH A1281 28.308 7.929 31.077 1.00 36.88 O HETATM 3325 O HOH A1282 13.165 5.979 21.830 1.00 65.27 O HETATM 3326 O HOH A1283 32.778 -19.927 23.329 1.00 51.18 O HETATM 3327 O HOH A1284 23.096 2.262 30.719 1.00 73.62 O HETATM 3328 O HOH A1285 34.525 20.319 20.571 1.00 42.23 O HETATM 3329 O HOH A1286 18.866 -6.471 30.057 1.00 61.72 O HETATM 3330 O HOH A1287 20.675 -2.681 -7.536 1.00 54.74 O HETATM 3331 O HOH A1288 14.133 35.532 31.074 1.00 71.06 O HETATM 3332 O HOH A1289 14.142 1.089 17.878 1.00 63.36 O HETATM 3333 O HOH A1290 35.557 22.247 23.507 1.00 61.26 O HETATM 3334 O HOH A1291 23.363 10.981 8.409 1.00 45.46 O HETATM 3335 O HOH A1292 34.019 23.679 21.538 1.00 55.30 O HETATM 3336 O HOH A1293 35.794 15.693 13.514 1.00 56.08 O HETATM 3337 O HOH A1294 13.044 8.785 31.280 1.00 53.27 O HETATM 3338 O HOH A1295 34.039 14.915 29.984 1.00 29.26 O HETATM 3339 O HOH A1296 31.407 14.832 34.474 1.00 72.51 O HETATM 3340 O HOH A1297 37.254 18.960 23.425 1.00 51.57 O HETATM 3341 O HOH A1298 16.342 10.334 10.590 1.00 45.04 O HETATM 3342 O HOH A1299 40.969 -7.949 28.344 1.00 60.34 O HETATM 3343 O HOH A1300 21.432 -13.632 4.353 1.00 76.28 O HETATM 3344 O HOH A1301 22.096 23.068 18.043 1.00 75.67 O HETATM 3345 O HOH A1302 25.355 -5.580 30.418 1.00 40.69 O HETATM 3346 O HOH A1303 40.218 6.786 22.301 1.00 44.00 O HETATM 3347 O HOH A1304 22.331 12.987 10.606 1.00 52.77 O HETATM 3348 O HOH A1305 16.500 0.374 13.549 1.00 39.73 O HETATM 3349 O HOH A1306 24.512 10.999 -5.817 1.00 64.10 O HETATM 3350 O HOH A1307 31.959 5.917 30.005 1.00 31.69 O HETATM 3351 O HOH A1308 22.040 9.012 8.552 1.00 34.88 O HETATM 3352 O HOH A1309 35.995 -12.243 30.014 1.00 48.72 O HETATM 3353 O HOH A1310 14.496 -0.004 30.815 1.00 77.22 O HETATM 3354 O HOH A1311 30.060 5.668 31.469 1.00 46.30 O HETATM 3355 O HOH A1312 33.062 17.638 33.691 1.00 49.87 O HETATM 3356 O HOH A1313 35.004 12.373 29.408 1.00 40.85 O HETATM 3357 O HOH A1314 19.686 -15.495 2.925 1.00 80.36 O HETATM 3358 O HOH A1315 14.835 7.009 32.847 1.00 64.21 O HETATM 3359 O HOH A1316 9.231 11.598 34.030 1.00 76.57 O HETATM 3360 O HOH B1001 11.670 29.655 26.987 1.00141.28 O HETATM 3361 O HOH B1002 -13.080 14.134 10.784 1.00 37.50 O HETATM 3362 O HOH B1003 -6.073 18.304 2.533 1.00 66.64 O HETATM 3363 O HOH B1004 3.573 13.230 9.267 1.00 55.42 O HETATM 3364 O HOH B1005 3.918 17.958 28.378 1.00 44.38 O HETATM 3365 O HOH B1006 -15.538 5.687 13.132 1.00 70.20 O HETATM 3366 O HOH B1007 -6.459 34.537 25.066 1.00 49.85 O HETATM 3367 O HOH B1008 -2.780 17.662 30.226 1.00 67.51 O HETATM 3368 O HOH B1009 -13.150 28.989 39.879 1.00 53.57 O HETATM 3369 O HOH B1010 -13.644 20.950 5.255 1.00 64.54 O HETATM 3370 O HOH B1011 -9.292 6.292 15.326 1.00 61.38 O HETATM 3371 O HOH B1012 -0.141 19.034 35.844 1.00 37.25 O HETATM 3372 O HOH B1013 -13.635 30.669 38.628 1.00 45.92 O HETATM 3373 O HOH B1014 -10.302 31.531 18.334 1.00 36.78 O HETATM 3374 O HOH B1015 3.551 19.115 25.973 1.00 28.74 O HETATM 3375 O HOH B1016 -4.275 7.480 13.954 1.00 60.57 O HETATM 3376 O HOH B1017 16.607 26.369 10.474 1.00 64.98 O HETATM 3377 O HOH B1018 19.546 20.121 17.155 1.00 53.82 O HETATM 3378 O HOH B1019 -14.574 15.859 23.051 1.00 71.01 O HETATM 3379 O HOH B1020 14.040 29.722 26.732 1.00 35.01 O HETATM 3380 O HOH B1021 -19.348 30.273 12.695 1.00 50.52 O HETATM 3381 O HOH B1022 0.913 11.823 27.569 1.00 39.07 O HETATM 3382 O HOH B1023 -9.973 7.787 21.717 1.00 49.96 O HETATM 3383 O HOH B1024 -15.505 29.833 18.036 1.00 54.63 O HETATM 3384 O HOH B1025 11.429 23.788 28.331 1.00 43.48 O HETATM 3385 O HOH B1026 0.721 12.968 9.757 1.00 35.47 O HETATM 3386 O HOH B1027 1.701 26.567 3.358 1.00 51.96 O HETATM 3387 O HOH B1028 10.166 38.311 30.971 1.00 48.71 O HETATM 3388 O HOH B1029 13.362 38.495 27.257 1.00 37.11 O HETATM 3389 O HOH B1030 -21.399 13.348 11.836 1.00 47.23 O HETATM 3390 O HOH B1031 7.474 22.778 27.183 1.00 28.38 O HETATM 3391 O HOH B1032 -13.734 31.068 15.332 1.00 46.16 O HETATM 3392 O HOH B1033 -5.341 35.141 19.148 1.00 53.77 O HETATM 3393 O HOH B1034 1.668 9.278 21.907 1.00 53.92 O HETATM 3394 O HOH B1035 -12.655 33.415 25.198 1.00 90.95 O HETATM 3395 O HOH B1036 -6.204 28.182 6.150 1.00 54.16 O HETATM 3396 O HOH B1037 14.012 25.927 3.079 1.00 64.97 O HETATM 3397 O HOH B1038 -11.943 22.219 22.762 1.00 35.13 O HETATM 3398 O HOH B1039 -9.703 32.956 11.503 1.00 55.44 O HETATM 3399 O HOH B1040 14.290 37.375 20.800 1.00 57.58 O HETATM 3400 O HOH B1041 10.607 11.745 13.713 1.00 53.59 O HETATM 3401 O HOH B1042 7.553 23.657 29.380 1.00 50.68 O HETATM 3402 O HOH B1043 -10.178 11.090 1.207 1.00 64.62 O HETATM 3403 O HOH B1044 3.733 20.143 32.826 1.00 42.24 O HETATM 3404 O HOH B1045 14.965 33.955 27.047 1.00 42.45 O HETATM 3405 O HOH B1046 -16.215 24.534 35.196 1.00 70.23 O HETATM 3406 O HOH B1047 10.471 31.781 28.375 1.00 32.61 O HETATM 3407 O HOH B1048 11.508 13.182 19.577 1.00 42.93 O HETATM 3408 O HOH B1049 -19.350 21.764 1.639 1.00 80.42 O HETATM 3409 O HOH B1050 -8.307 40.558 38.515 1.00 77.77 O HETATM 3410 O HOH B1051 -4.197 10.730 23.283 1.00 43.86 O HETATM 3411 O HOH B1052 4.146 27.214 31.758 1.00 28.87 O HETATM 3412 O HOH B1053 15.440 24.630 9.365 1.00 43.75 O HETATM 3413 O HOH B1054 -15.829 25.742 26.745 1.00 44.08 O HETATM 3414 O HOH B1055 -7.871 22.392 37.118 1.00 29.85 O HETATM 3415 O HOH B1056 -7.717 31.055 19.192 1.00 27.49 O HETATM 3416 O HOH B1057 7.122 14.686 9.323 1.00 51.58 O HETATM 3417 O HOH B1058 -0.047 10.095 20.697 1.00 46.31 O HETATM 3418 O HOH B1059 11.129 18.092 22.224 1.00 29.69 O HETATM 3419 O HOH B1060 -16.880 16.066 15.661 1.00 39.65 O HETATM 3420 O HOH B1061 -11.680 30.988 11.399 1.00 36.87 O HETATM 3421 O HOH B1062 -0.003 11.969 16.705 1.00 50.99 O HETATM 3422 O HOH B1063 -0.452 34.041 17.698 1.00 48.31 O HETATM 3423 O HOH B1064 8.004 15.140 5.057 1.00 60.44 O HETATM 3424 O HOH B1065 8.401 39.708 29.382 1.00 72.62 O HETATM 3425 O HOH B1066 2.310 11.385 13.927 1.00 49.17 O HETATM 3426 O HOH B1067 -8.687 42.483 41.263 1.00 96.22 O HETATM 3427 O HOH B1068 -21.669 14.689 3.315 1.00 67.45 O HETATM 3428 O HOH B1069 8.024 19.693 5.098 1.00 61.97 O HETATM 3429 O HOH B1070 4.297 39.475 39.172 1.00 73.76 O HETATM 3430 O HOH B1071 11.080 18.270 25.145 1.00 34.63 O HETATM 3431 O HOH B1072 6.296 24.197 3.473 1.00 55.80 O HETATM 3432 O HOH B1073 -2.427 19.926 28.684 1.00 23.36 O HETATM 3433 O HOH B1074 -8.020 8.586 4.216 1.00 76.60 O HETATM 3434 O HOH B1075 3.081 36.422 22.000 1.00 62.67 O HETATM 3435 O HOH B1076 -11.396 33.730 29.383 1.00 60.97 O HETATM 3436 O HOH B1077 -11.268 13.940 -2.545 1.00 53.17 O HETATM 3437 O HOH B1078 3.252 24.714 32.822 1.00 34.58 O HETATM 3438 O HOH B1079 8.633 34.013 31.192 1.00 57.57 O HETATM 3439 O HOH B1080 9.940 23.081 26.004 1.00 25.94 O HETATM 3440 O HOH B1081 -14.708 16.032 12.206 1.00 33.99 O HETATM 3441 O HOH B1082 2.848 29.324 6.415 1.00 34.07 O HETATM 3442 O HOH B1083 -14.311 15.878 19.261 1.00 36.60 O HETATM 3443 O HOH B1084 -1.426 34.780 21.207 1.00 50.58 O HETATM 3444 O HOH B1085 15.154 24.290 16.431 1.00 46.94 O HETATM 3445 O HOH B1086 -15.739 32.255 9.443 1.00 61.11 O HETATM 3446 O HOH B1087 -12.371 27.032 23.728 1.00 40.86 O HETATM 3447 O HOH B1088 -0.877 16.486 6.739 1.00 30.18 O HETATM 3448 O HOH B1089 3.727 13.552 12.036 1.00 41.14 O HETATM 3449 O HOH B1090 -12.862 14.803 16.098 1.00 29.37 O HETATM 3450 O HOH B1091 -5.456 20.413 5.883 1.00 41.04 O HETATM 3451 O HOH B1092 17.672 40.082 26.409 1.00 33.69 O HETATM 3452 O HOH B1093 -0.278 36.087 8.277 1.00 63.13 O HETATM 3453 O HOH B1094 -10.714 14.944 11.588 1.00 29.58 O HETATM 3454 O HOH B1095 13.004 30.294 19.492 1.00 56.03 O HETATM 3455 O HOH B1096 13.554 31.326 7.074 1.00 64.36 O HETATM 3456 O HOH B1097 -0.790 35.687 11.260 1.00 40.81 O HETATM 3457 O HOH B1098 -14.613 4.384 9.834 1.00 77.00 O HETATM 3458 O HOH B1099 8.403 28.118 2.495 1.00 49.64 O HETATM 3459 O HOH B1100 15.528 29.773 19.664 1.00 58.66 O HETATM 3460 O HOH B1101 -14.603 10.094 20.895 1.00 55.27 O HETATM 3461 O HOH B1102 -4.804 14.350 25.305 1.00 34.03 O HETATM 3462 O HOH B1103 -9.673 23.179 5.930 1.00 57.46 O HETATM 3463 O HOH B1104 12.268 43.400 23.248 1.00 59.45 O HETATM 3464 O HOH B1105 5.369 37.170 13.773 1.00 57.24 O HETATM 3465 O HOH B1106 -9.914 1.744 9.388 1.00 74.80 O HETATM 3466 O HOH B1107 11.200 15.585 20.570 1.00 43.44 O HETATM 3467 O HOH B1108 -6.313 32.830 17.628 1.00 28.30 O HETATM 3468 O HOH B1109 -23.081 15.066 6.947 1.00 52.79 O HETATM 3469 O HOH B1110 -24.736 20.276 8.885 1.00 32.82 O HETATM 3470 O HOH B1111 -14.241 30.800 20.457 1.00 37.01 O HETATM 3471 O HOH B1112 0.168 29.243 6.764 1.00 39.13 O HETATM 3472 O HOH B1113 -10.934 10.368 22.046 1.00 33.03 O HETATM 3473 O HOH B1114 -0.897 37.860 38.410 1.00 67.86 O HETATM 3474 O HOH B1115 -2.244 5.443 9.833 1.00 74.32 O HETATM 3475 O HOH B1116 -9.327 12.288 11.529 1.00 26.42 O HETATM 3476 O HOH B1117 1.250 41.178 32.630 1.00 60.96 O HETATM 3477 O HOH B1118 -13.652 30.342 23.274 1.00 58.89 O HETATM 3478 O HOH B1119 6.693 37.593 30.108 1.00 44.96 O HETATM 3479 O HOH B1120 -1.800 11.893 27.298 1.00 66.19 O HETATM 3480 O HOH B1121 -10.402 33.750 27.115 1.00 49.31 O HETATM 3481 O HOH B1122 -9.414 12.034 23.555 1.00 33.69 O HETATM 3482 O HOH B1123 -20.297 9.462 11.816 1.00 55.72 O HETATM 3483 O HOH B1124 -10.565 15.187 14.324 1.00 26.31 O HETATM 3484 O HOH B1125 -6.985 20.381 38.885 1.00 41.89 O HETATM 3485 O HOH B1126 -26.949 17.761 6.970 1.00 44.72 O HETATM 3486 O HOH B1127 -8.009 33.742 32.158 1.00 32.06 O HETATM 3487 O HOH B1128 -10.714 31.202 24.662 1.00 28.20 O HETATM 3488 O HOH B1129 8.361 9.391 17.810 1.00 58.67 O HETATM 3489 O HOH B1130 -7.530 18.293 26.232 1.00 47.04 O HETATM 3490 O HOH B1131 17.058 22.543 13.804 1.00 35.17 O HETATM 3491 O HOH B1132 7.676 16.544 20.400 1.00 25.16 O HETATM 3492 O HOH B1133 2.518 20.223 6.178 1.00 37.64 O HETATM 3493 O HOH B1134 1.115 18.505 25.164 1.00 24.82 O HETATM 3494 O HOH B1135 10.173 29.200 29.051 1.00 35.69 O HETATM 3495 O HOH B1136 -6.179 9.982 6.377 1.00 38.98 O HETATM 3496 O HOH B1137 -7.996 20.349 33.930 1.00 31.04 O HETATM 3497 O HOH B1138 -16.979 14.937 13.341 1.00 36.59 O HETATM 3498 O HOH B1139 10.767 15.388 5.405 1.00 66.08 O HETATM 3499 O HOH B1140 -3.669 10.336 5.431 1.00 43.32 O HETATM 3500 O HOH B1141 -11.342 21.220 6.631 1.00 46.75 O HETATM 3501 O HOH B1142 9.043 28.926 41.088 1.00 68.34 O HETATM 3502 O HOH B1143 -16.376 24.250 22.963 1.00 38.91 O HETATM 3503 O HOH B1144 -3.299 22.232 4.529 1.00 54.80 O HETATM 3504 O HOH B1145 -18.378 30.658 20.490 1.00 78.91 O HETATM 3505 O HOH B1146 8.583 14.733 13.626 1.00 29.88 O HETATM 3506 O HOH B1147 10.152 21.746 4.496 1.00 45.96 O HETATM 3507 O HOH B1148 6.668 30.984 3.652 1.00 54.37 O HETATM 3508 O HOH B1149 0.104 9.298 15.485 1.00 47.28 O HETATM 3509 O HOH B1150 -6.043 22.367 26.056 1.00 28.53 O HETATM 3510 O HOH B1151 17.451 36.208 21.204 1.00 56.28 O HETATM 3511 O HOH B1152 1.616 18.330 29.645 1.00 34.98 O HETATM 3512 O HOH B1153 -11.702 16.198 25.015 1.00 39.93 O HETATM 3513 O HOH B1154 -2.121 24.820 4.735 1.00 55.26 O HETATM 3514 O HOH B1155 2.875 37.256 41.387 1.00 71.92 O HETATM 3515 O HOH B1156 -4.758 30.884 6.414 1.00 58.17 O HETATM 3516 O HOH B1157 -6.875 10.656 22.733 1.00 24.71 O HETATM 3517 O HOH B1158 -11.019 23.837 24.784 1.00 31.91 O HETATM 3518 O HOH B1159 -18.013 30.355 32.949 1.00 50.24 O HETATM 3519 O HOH B1160 19.396 18.390 10.792 1.00 69.74 O HETATM 3520 O HOH B1161 2.255 36.023 24.324 1.00 42.01 O HETATM 3521 O HOH B1162 -10.174 35.803 30.713 1.00 64.24 O HETATM 3522 O HOH B1163 -24.892 16.493 3.197 1.00 65.35 O HETATM 3523 O HOH B1164 1.204 19.201 38.549 1.00 65.21 O HETATM 3524 O HOH B1165 12.338 15.754 7.812 1.00 76.29 O HETATM 3525 O HOH B1166 11.288 39.940 28.787 1.00 53.86 O HETATM 3526 O HOH B1167 -25.398 20.598 3.930 1.00 43.35 O HETATM 3527 O HOH B1168 -8.637 4.060 10.433 1.00 72.01 O HETATM 3528 O HOH B1169 0.501 36.778 41.790 1.00 56.74 O HETATM 3529 O HOH B1170 9.335 13.679 29.065 1.00 64.36 O HETATM 3530 O HOH B1171 7.478 35.368 33.062 1.00 61.32 O HETATM 3531 O HOH B1172 6.623 28.550 34.727 1.00 42.22 O HETATM 3532 O HOH B1173 -6.410 37.846 28.014 1.00 55.26 O HETATM 3533 O HOH B1174 10.513 28.605 31.143 1.00 78.39 O HETATM 3534 O HOH B1175 -5.816 30.656 41.180 1.00 48.53 O HETATM 3535 O HOH B1176 -20.084 28.953 31.402 1.00 57.38 O HETATM 3536 O HOH B1177 -27.854 25.729 5.135 1.00 66.15 O HETATM 3537 O HOH B1178 -17.109 12.576 15.090 1.00 59.81 O HETATM 3538 O HOH B1179 -7.361 37.175 30.836 1.00 54.78 O HETATM 3539 O HOH B1180 -4.567 36.555 24.644 1.00 48.29 O HETATM 3540 O HOH B1181 11.248 28.734 0.877 1.00 56.06 O HETATM 3541 O HOH B1182 1.609 37.646 28.976 1.00 39.57 O HETATM 3542 O HOH B1183 7.756 21.929 3.094 1.00 57.30 O HETATM 3543 O HOH B1184 -18.599 28.336 34.387 1.00 50.98 O HETATM 3544 O HOH B1185 -13.707 6.191 20.651 1.00 81.85 O HETATM 3545 O HOH B1186 3.150 10.977 16.893 1.00 60.95 O HETATM 3546 O HOH B1187 7.081 32.819 37.651 1.00 55.61 O HETATM 3547 O HOH B1188 -11.190 7.363 14.012 1.00 46.16 O HETATM 3548 O HOH B1189 0.939 35.070 19.940 1.00 70.05 O HETATM 3549 O HOH B1190 9.171 15.416 11.757 1.00 53.15 O HETATM 3550 O HOH B1191 -21.010 13.044 5.725 1.00 53.70 O HETATM 3551 O HOH B1192 -10.114 32.709 22.739 1.00 51.27 O HETATM 3552 O HOH B1193 4.842 38.583 31.744 1.00 66.25 O HETATM 3553 O HOH B1194 0.742 31.769 46.478 1.00 55.77 O HETATM 3554 O HOH B1195 2.754 16.713 4.039 1.00 63.97 O HETATM 3555 O HOH B1196 8.591 30.784 36.639 1.00 70.00 O HETATM 3556 O HOH B1197 1.014 40.150 30.328 1.00 70.56 O HETATM 3557 O HOH B1198 -7.957 40.239 36.008 1.00 69.99 O HETATM 3558 O HOH B1199 -1.454 36.210 14.413 1.00 75.03 O HETATM 3559 O HOH B1200 -1.384 40.274 29.832 1.00 62.54 O HETATM 3560 O HOH B1201 -12.491 31.246 8.372 1.00 57.36 O HETATM 3561 O HOH B1202 -3.181 16.616 5.386 1.00 35.17 O HETATM 3562 O HOH B1203 -0.558 6.690 7.760 1.00 65.82 O HETATM 3563 O HOH B1204 -11.872 32.367 20.168 1.00 42.51 O HETATM 3564 O HOH B1205 -17.466 28.859 26.172 1.00 62.88 O HETATM 3565 O HOH B1206 -19.982 12.331 -1.910 1.00 56.45 O HETATM 3566 O HOH B1207 -3.532 13.976 4.143 1.00 60.78 O HETATM 3567 O HOH B1208 -7.551 20.257 4.035 1.00 54.88 O HETATM 3568 O HOH B1209 -13.561 10.436 23.451 1.00 65.31 O HETATM 3569 O HOH B1210 -9.420 20.782 31.476 1.00 33.57 O HETATM 3570 O HOH B1211 -4.683 6.495 18.112 1.00 67.20 O HETATM 3571 O HOH B1212 -4.193 9.086 25.368 1.00 57.26 O HETATM 3572 O HOH B1213 8.787 30.217 33.096 1.00 59.64 O HETATM 3573 O HOH B1214 1.248 37.866 26.276 1.00 59.71 O HETATM 3574 O HOH B1215 -5.420 14.570 31.178 1.00 69.11 O HETATM 3575 O HOH B1216 -4.354 39.175 29.695 1.00 52.39 O HETATM 3576 O HOH B1217 -3.006 14.767 27.449 1.00 65.75 O HETATM 3577 O HOH B1218 -4.660 26.498 4.416 1.00 68.14 O HETATM 3578 O HOH B1219 -2.364 36.551 23.051 1.00 54.85 O HETATM 3579 O HOH B1220 -3.606 19.123 4.321 1.00 54.61 O HETATM 3580 O HOH B1221 -4.807 16.498 29.103 1.00 56.42 O HETATM 3581 O HOH B1222 -0.130 13.663 7.013 1.00 58.30 O HETATM 3582 O HOH B1223 -14.128 30.738 13.003 1.00 55.24 O HETATM 3583 O HOH B1224 15.072 36.528 28.324 1.00 46.52 O HETATM 3584 O HOH B1225 -0.818 15.870 27.824 1.00 48.90 O HETATM 3585 O HOH B1226 -1.992 9.052 27.507 1.00 63.49 O HETATM 3586 O HOH B1227 -0.279 18.488 27.570 1.00 25.34 O HETATM 3587 O HOH B1228 -10.013 20.927 35.856 1.00 39.91 O HETATM 3588 O HOH B1229 -5.822 33.076 23.260 1.00 43.35 O HETATM 3589 O HOH B1230 -15.903 13.936 18.717 1.00 50.47 O HETATM 3590 O HOH B1231 -10.060 21.680 4.187 1.00 72.10 O HETATM 3591 O HOH B1232 -4.082 29.061 4.741 1.00 64.06 O HETATM 3592 O HOH B1233 3.604 30.561 3.975 1.00 52.61 O HETATM 3593 O HOH B1234 13.154 32.140 28.064 1.00 33.46 O HETATM 3594 O HOH B1235 -22.570 11.180 1.053 1.00 67.72 O HETATM 3595 O HOH B1236 -1.625 39.940 41.018 1.00 62.16 O HETATM 3596 O HOH B1237 -14.497 33.913 23.600 1.00 57.78 O HETATM 3597 O HOH B1238 18.147 31.020 19.504 1.00 80.34 O HETATM 3598 O HOH B1239 6.714 39.657 33.823 1.00 61.53 O HETATM 3599 O HOH B1240 -7.626 8.086 22.749 1.00 48.73 O HETATM 3600 O HOH B1241 -8.775 22.838 26.683 1.00 28.81 O HETATM 3601 O HOH B1242 -16.827 31.451 16.168 1.00 66.92 O HETATM 3602 O HOH B1243 6.227 12.905 12.978 1.00 55.32 O HETATM 3603 O HOH B1244 -1.377 20.590 3.732 1.00 52.57 O HETATM 3604 O HOH B1245 -21.334 6.546 17.508 1.00 76.89 O HETATM 3605 O HOH B1246 -9.372 20.322 26.569 1.00 47.72 O HETATM 3606 O HOH B1247 16.551 26.943 20.064 1.00 49.63 O HETATM 3607 O HOH B1248 4.530 10.516 8.616 1.00 65.34 O HETATM 3608 O HOH B1249 -7.699 32.955 21.425 1.00 36.39 O HETATM 3609 O HOH B1250 -3.026 8.903 21.640 1.00 54.74 O HETATM 3610 O HOH B1251 14.805 45.265 21.103 1.00 62.13 O HETATM 3611 O HOH B1252 0.694 34.589 -0.391 1.00 84.28 O HETATM 3612 O HOH B1253 -9.973 34.217 16.971 1.00 49.35 O HETATM 3613 O HOH B1254 -11.423 19.634 24.455 1.00 45.07 O HETATM 3614 O HOH B1255 0.710 18.326 5.320 1.00 42.25 O HETATM 3615 O HOH B1256 7.539 35.375 39.126 1.00 77.09 O HETATM 3616 O HOH B1257 9.817 35.949 36.544 1.00 74.47 O HETATM 3617 O HOH B1258 -4.731 6.733 20.760 1.00 57.94 O HETATM 3618 O HOH B1259 -10.805 35.164 13.724 1.00 72.01 O HETATM 3619 O HOH B1260 -12.719 35.287 20.399 1.00 64.47 O HETATM 3620 O HOH B1261 19.813 12.688 7.134 1.00 59.92 O HETATM 3621 O HOH B1262 -13.016 21.719 27.665 1.00 58.83 O HETATM 3622 O HOH B1263 -7.510 7.262 25.551 1.00 73.65 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 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 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