USER MOD reduce.3.24.130724 H: found=0, std=0, add=2945, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZD TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 109) 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 5PZD 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. 1.74 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) : 1.74 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.69 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.9 REMARK 3 NUMBER OF REFLECTIONS : 44997 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) : 0.169 REMARK 3 R VALUE (WORKING SET) : 0.168 REMARK 3 FREE R VALUE : 0.203 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2355 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) : 1.74 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.79 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3270 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.22 REMARK 3 BIN R VALUE (WORKING SET) : 0.2750 REMARK 3 BIN FREE R VALUE SET COUNT : 210 REMARK 3 BIN FREE R VALUE : 0.3360 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) : 34.02 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.01000 REMARK 3 B22 (A**2) : 0.22000 REMARK 3 B33 (A**2) : 0.71000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.04000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.103 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.103 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.077 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.532 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.970 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.960 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.022 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.855 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.101 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.444 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.509 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.115 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;15.970 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.132 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.658 ; 3.122 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.655 ; 3.117 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.632 ; 4.653 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 5PZD 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_1001401303. 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 : 47352 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.740 REMARK 200 RESOLUTION RANGE LOW (A) : 42.690 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.04800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.74 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.79 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.6 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.66600 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 (%): 55.29 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 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 63.84500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.71500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.84500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.71500 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 1.83 REMARK 500 O2 EDO B 903 O HOH B 1001 1.86 REMARK 500 O HOH A 1140 O HOH A 1242 1.93 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.95 REMARK 500 O HOH B 1022 O HOH B 1029 2.03 REMARK 500 O HOH A 1214 O HOH A 1247 2.09 REMARK 500 NH1 ARG A 803 O HOH A 1003 2.13 REMARK 500 O HOH B 1170 O HOH B 1193 2.14 REMARK 500 OH TYR B 801 O HOH B 1002 2.14 REMARK 500 O HOH A 1140 O HOH A 1142 2.16 REMARK 500 OD1 ASP A 862 O HOH A 1004 2.17 REMARK 500 O HOH A 1166 O HOH A 1242 2.17 REMARK 500 O HOH A 1008 O HOH A 1121 2.18 REMARK 500 O HOH B 1166 O HOH B 1185 2.18 REMARK 500 O HOH B 1006 O HOH B 1148 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH B 1050 O HOH B 1050 2556 0.88 REMARK 500 O HOH B 1212 O HOH B 1212 2555 1.25 REMARK 500 O HOH A 1110 O HOH A 1199 1565 2.10 REMARK 500 O HOH B 1029 O HOH B 1122 2556 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU B 780 CD GLU B 780 OE2 0.090 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 742 CA - CB - SG ANGL. DEV. = 7.6 DEGREES REMARK 500 ARG A 803 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG A 803 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG B 855 NE - CZ - NH2 ANGL. DEV. = -3.4 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 -125.83 -101.78 REMARK 500 LYS A 737 90.14 64.97 REMARK 500 ARG A 849 -112.80 48.52 REMARK 500 ASN B 738 96.92 -171.60 REMARK 500 CYS B 754 84.61 -155.13 REMARK 500 PRO B 755 103.87 -58.39 REMARK 500 SER B 757 -166.31 -57.06 REMARK 500 GLN B 758 34.91 -67.45 REMARK 500 TYR B 801 -96.55 -113.52 REMARK 500 GLU B 804 -87.93 -139.46 REMARK 500 ARG B 849 -112.86 49.24 REMARK 500 GLN B 875 139.56 -38.40 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 756 145.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1313 DISTANCE = 6.39 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.23 ANGSTROMS REMARK 525 HOH B1266 DISTANCE = 6.57 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 111.6 REMARK 620 3 HIS A 725 ND1 101.6 97.7 REMARK 620 4 CYS A 728 SG 110.8 119.1 114.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 717 SG REMARK 620 2 CYS A 720 SG 110.1 REMARK 620 3 CYS A 742 SG 111.4 105.6 REMARK 620 4 CYS A 745 SG 105.3 106.2 118.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 903 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 754 SG REMARK 620 2 GLU A 756 OE2 115.0 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 705 SG REMARK 620 2 CYS B 708 SG 113.8 REMARK 620 3 HIS B 725 ND1 100.0 97.6 REMARK 620 4 CYS B 728 SG 110.8 117.7 115.0 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 717 SG REMARK 620 2 CYS B 720 SG 110.3 REMARK 620 3 CYS B 742 SG 112.9 106.6 REMARK 620 4 CYS B 745 SG 107.2 104.8 114.7 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 5PZD A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZD 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 PHE A 715 CYS A 716 0 SHEET 2 AA1 2 SER A 723 PHE A 724 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 PHE B 715 CYS B 716 0 SHEET 2 AA2 2 SER B 723 PHE B 724 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.26 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.34 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.22 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.23 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.15 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.26 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.40 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.37 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.70 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 2.19 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.28 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.33 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.17 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.36 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.18 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.27 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.38 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.36 CISPEP 1 ILE A 730 PRO A 731 0 -11.07 CISPEP 2 ASN A 738 PRO A 739 0 -8.98 CISPEP 3 ILE B 730 PRO B 731 0 -14.15 CISPEP 4 ASN B 738 PRO B 739 0 16.44 CISPEP 5 ARG B 803 GLU B 804 0 -6.40 SITE *** AC1 4 CYS A 705 CYS A 708 HIS A 725 CYS A 728 SITE *** AC2 4 CYS A 717 CYS A 720 CYS A 742 CYS A 745 SITE *** AC3 2 CYS A 754 GLU A 756 SITE *** AC4 14 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 14 HOH A1047 HOH A1110 HOH A1127 HOH A1142 SITE *** AC4 14 HOH A1166 HOH A1242 ARG B 753 PRO B 773 SITE *** AC4 14 GLU B 774 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1021 SITE *** AC5 6 HOH A1072 HOH A1247 SITE *** AC6 4 CYS B 705 CYS B 708 HIS B 725 CYS B 728 SITE *** AC7 4 CYS B 717 CYS B 720 CYS B 742 CYS B 745 SITE *** AC8 6 MES A 904 ARG B 746 PRO B 773 HOH B1001 SITE *** AC8 6 HOH B1020 HOH B1047 CRYST1 127.690 45.430 83.460 90.00 102.26 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 0.007831 0.000000 0.001702 0.00000 SCALE2 0.000000 0.022012 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012261 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= -0.486 K(o=-0.62,f=-2.7) USER MOD Set 1.2: B 875 GLN : amide:sc= -0.133 X(o=-0.62,f=-0.71) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 171:sc= 0.346 (180deg=-6.44e-05) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.323 K(o=0.67,f=-2.5) USER MOD Set 3.1: B 842 HIS : no HD1:sc= -0.103 X(o=1.7,f=1.7) USER MOD Set 3.2: B 843 ASN : amide:sc= 1.8 K(o=1.7,f=-0.21) USER MOD Set 4.1: B 821 SER OG : rot 76:sc= 0.33 USER MOD Set 4.2: B 826 MET CE B:methyl 174:sc= -0.119 (180deg=-0.23) USER MOD Set 5.1: B 813 MET CE :methyl 149:sc= -0.931 (180deg=-1.1) USER MOD Set 5.2: B 817 LYS NZ :NH3+ -154:sc=-0.00284 (180deg=0) USER MOD Set 6.1: B 787 TYR OH : rot 3:sc= 1.32 USER MOD Set 6.2: B 816 ASN : amide:sc= 1.58 K(o=2.9,f=1.9) USER MOD Set 7.1: B 785 LYS NZ :NH3+ -173:sc= 0.81 (180deg=0) USER MOD Set 7.2: B 867 ASN : amide:sc= 1.88 K(o=2.7,f=-3.7!) USER MOD Set 8.1: B 771 MET CE :methyl 172:sc= 0 (180deg=-0.0576) USER MOD Set 8.2: B 779 CYS SG : rot 140:sc= 0.201 USER MOD Set 9.1: B 727 HIS : no HD1:sc= 0.415 K(o=0.91,f=-0.55) USER MOD Set 9.2: B 732 SER OG : rot -122:sc= 0.494 USER MOD Set10.1: B 716 CYS SG A: rot -65:sc= 0.0105 USER MOD Set10.2: B 723 SER OG : rot 144:sc= 1.11 USER MOD Set11.1: B 719 THR OG1 : rot 83:sc= 1.91 USER MOD Set11.2: B 741 SER OG : rot -79:sc= 1.32 USER MOD Set12.1: A 791 LYS NZ :NH3+ -174:sc= 1.7 (180deg=1.03) USER MOD Set12.2: A 859 GLN : amide:sc= 0.562 K(o=2.3,f=-2.2) USER MOD Set13.1: A 787 TYR OH : rot -10:sc= 1.25 USER MOD Set13.2: A 816 ASN : amide:sc= 1.51 X(o=2.8,f=2.3) USER MOD Set14.1: A 771 MET CE :methyl 174:sc= 0 (180deg=-0.0296) USER MOD Set14.2: A 779 CYS SG : rot -98:sc= 0.375 USER MOD Set15.1: A 727 HIS : no HD1:sc= 0.926 K(o=2.1,f=-3.5!) USER MOD Set15.2: A 732 SER OG : rot -122:sc= 1.18 USER MOD Set16.1: A 719 THR OG1 : rot 76:sc= 2.49 USER MOD Set16.2: A 741 SER OG : rot -56:sc= 1.28 USER MOD Set17.1: A 716 CYS SG : rot -42:sc= -0.182 USER MOD Set17.2: A 723 SER OG : rot 144:sc= 1.27 USER MOD Single : A 701 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.42) USER MOD Single : A 702 SER OG : rot -108:sc= 0.00201 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 709 ASN : amide:sc= 0.174 X(o=0.17,f=0.0014) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.86 K(o=1.9,f=-9.2!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 738 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.4!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc=-0.00582 (180deg=-0.00582) USER MOD Single : A 749 THR OG1 : rot 76:sc= 0.0913 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.9!) USER MOD Single : A 754 CYS SG B: rot 48:sc= -0.112 USER MOD Single : A 757 SER OG : rot -84:sc= 1.78 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0.0019) USER MOD Single : A 759 SER OG : rot 177:sc= 1.23 USER MOD Single : A 761 HIS : no HE2:sc= -0.894 K(o=-0.89,f=-1.7) USER MOD Single : A 762 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 764 SER OG : rot -83:sc= 0.121 USER MOD Single : A 768 MET CE :methyl 174:sc=-0.00487 (180deg=-0.0814) USER MOD Single : A 770 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 776 GLN : amide:sc= 2.74 K(o=2.7,f=-0.076) USER MOD Single : A 778 LYS NZ A:NH3+ 178:sc= -0.495 (180deg=-0.52) USER MOD Single : A 778 LYS NZ B:NH3+ 177:sc= 1.05 (180deg=1.05) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 64:sc= 0.0459 USER MOD Single : A 790 SER OG : rot -78:sc= 0 USER MOD Single : A 792 SER OG : rot -84:sc= 1.67 USER MOD Single : A 793 CYS SG : rot -85:sc= 0.0502 USER MOD Single : A 797 SER OG : rot 103:sc= 0.84 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 30:sc= 2.37 USER MOD Single : A 802 ASN : amide:sc= -0.0526 K(o=-0.053,f=-2!) USER MOD Single : A 806 SER OG : rot -154:sc= 1.79 USER MOD Single : A 807 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.59) USER MOD Single : A 810 GLN : amide:sc=-0.00284 X(o=-0.0028,f=-0.18) USER MOD Single : A 811 LYS NZ :NH3+ -140:sc= 0.25 (180deg=0.00352) USER MOD Single : A 813 MET CE :methyl 159:sc= -0.0251 (180deg=-0.447) USER MOD Single : A 817 LYS NZ :NH3+ 162:sc= -0.0751 (180deg=-0.526) USER MOD Single : A 819 LYS NZ :NH3+ 173:sc= 0.467 (180deg=0.453) USER MOD Single : A 820 THR OG1 : rot 83:sc= 0.00526 USER MOD Single : A 821 SER OG : rot 76:sc= 1.26 USER MOD Single : A 823 ASN : amide:sc= 0.431 K(o=0.43,f=-2.4!) USER MOD Single : A 825 GLN : amide:sc= 0.946 X(o=0.95,f=0.63) USER MOD Single : A 826 MET CE A:methyl -161:sc= -0.182 (180deg=-0.598) USER MOD Single : A 826 MET CE B:methyl 174:sc= -4.22! (180deg=-4.38!) USER MOD Single : A 827 TYR OH : rot -18:sc= 1.31 USER MOD Single : A 828 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.46) USER MOD Single : A 837 MET CE :methyl -168:sc= 0 (180deg=-0.11) USER MOD Single : A 842 HIS : no HE2:sc= 1.76 K(o=1.8,f=-6.1!) USER MOD Single : A 843 ASN : amide:sc= 2.94 K(o=2.9,f=0.48) USER MOD Single : A 844 HIS : no HD1:sc= 1.51 K(o=1.5,f=-4.2!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ -153:sc= -0.0381 (180deg=-0.057) USER MOD Single : A 848 TYR OH : rot 30:sc= 1.11 USER MOD Single : A 852 LYS NZ :NH3+ -163:sc= 0.924 (180deg=0.651) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -80:sc= 0.203 USER MOD Single : A 861 GLN : amide:sc= 0.99 K(o=0.99,f=0.066) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.37 K(o=2.4,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= 0.116 X(o=0.12,f=-0.042) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc=8.56e-05 USER MOD Single : A 905 EDO O1 : rot -76:sc= 0.863 USER MOD Single : A 905 EDO O2 : rot 180:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : B 702 SER OG : rot -144:sc= 0.268 USER MOD Single : B 703 ASN : amide:sc= 0.345 K(o=0.35,f=-4.5!) USER MOD Single : B 709 ASN : amide:sc= 0.068 X(o=0.068,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 15:sc= 0.389 USER MOD Single : B 729 HIS : no HE2:sc= 1.72 K(o=1.7,f=-8.5!) USER MOD Single : B 736 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.9!) 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=-0.37) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 77:sc= 0.0204 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.309 K(o=0.31,f=-1.3) 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 -178:sc= -0.266 (180deg=-0.283) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : B 776 GLN : amide:sc= 2.35 K(o=2.3,f=-0.67) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 68:sc= 0.111 USER MOD Single : B 790 SER OG : rot -119:sc= 0.00389 USER MOD Single : B 792 SER OG : rot -82:sc= 1.84 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= -0.365 USER MOD Single : B 801 TYR OH : rot -27:sc= 1.56! USER MOD Single : B 802 ASN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -126:sc= 0.138 (180deg=0.0868) USER MOD Single : B 819 LYS NZ :NH3+ -168:sc= 0.566 (180deg=0.498) USER MOD Single : B 820 THR OG1 : rot 155:sc= 1.27 USER MOD Single : B 823 ASN : amide:sc= 1.92 X(o=1.9,f=1.6) USER MOD Single : B 825 GLN : amide:sc= 1.31 K(o=1.3,f=-2.6!) USER MOD Single : B 826 MET CE A:methyl -168:sc= -0.0113 (180deg=-0.191) USER MOD Single : B 827 TYR OH : rot -11:sc= 1.31 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 837 MET CE :methyl -171:sc= -0.0136 (180deg=-0.0872) USER MOD Single : B 844 HIS : no HD1:sc= 1.4 K(o=1.4,f=-4.1!) USER MOD Single : B 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.767 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= 0.727 USER MOD Single : B 861 GLN : amide:sc= 0.291 K(o=0.29,f=-0.44) USER MOD Single : B 866 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.17) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 78:sc= 1.34 USER MOD Single : B 903 EDO O2 : rot -27:sc= 0.859 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.532 -4.996 -4.011 1.00 57.20 N ATOM 2 CA ASN A 701 15.120 -4.063 -2.987 1.00 60.71 C ATOM 3 C ASN A 701 14.076 -3.068 -2.473 1.00 60.23 C ATOM 4 O ASN A 701 13.162 -2.697 -3.207 1.00 50.21 O ATOM 5 CB ASN A 701 16.320 -3.282 -3.540 1.00 62.79 C ATOM 6 CG ASN A 701 17.559 -4.131 -3.673 1.00 73.68 C ATOM 7 OD1 ASN A 701 17.818 -4.650 -4.749 1.00 85.80 O ATOM 8 ND2 ASN A 701 18.345 -4.273 -2.585 1.00 68.70 N ATOM 0 HA ASN A 701 15.422 -4.623 -2.255 1.00 60.71 H new ATOM 0 HB2 ASN A 701 16.090 -2.915 -4.408 1.00 62.79 H new ATOM 0 HB3 ASN A 701 16.509 -2.531 -2.956 1.00 62.79 H new ATOM 0 HD21 ASN A 701 19.062 -4.745 -2.631 1.00 68.70 H new ATOM 0 HD22 ASN A 701 18.128 -3.892 -1.845 1.00 68.70 H new ATOM 9 N SER A 702 14.226 -2.634 -1.219 1.00 53.32 N ATOM 10 CA SER A 702 13.429 -1.542 -0.668 1.00 48.61 C ATOM 11 C SER A 702 13.628 -0.272 -1.530 1.00 45.52 C ATOM 12 O SER A 702 14.668 -0.098 -2.181 1.00 47.25 O ATOM 13 CB SER A 702 13.840 -1.292 0.806 1.00 48.49 C ATOM 14 OG SER A 702 12.987 -0.358 1.498 1.00 44.95 O ATOM 0 H SER A 702 14.794 -2.967 -0.666 1.00 53.32 H new ATOM 0 HA SER A 702 12.488 -1.776 -0.684 1.00 48.61 H new ATOM 0 HB2 SER A 702 13.834 -2.137 1.282 1.00 48.49 H new ATOM 0 HB3 SER A 702 14.752 -0.961 0.827 1.00 48.49 H new ATOM 0 HG SER A 702 13.401 0.362 1.621 1.00 44.95 H new ATOM 15 N ASN A 703 12.603 0.592 -1.509 1.00 44.75 N ATOM 16 CA ASN A 703 12.550 1.876 -2.217 1.00 48.97 C ATOM 17 C ASN A 703 12.779 3.058 -1.304 1.00 43.58 C ATOM 18 O ASN A 703 12.665 4.188 -1.757 1.00 38.33 O ATOM 19 CB ASN A 703 11.143 2.107 -2.820 1.00 58.68 C ATOM 20 CG ASN A 703 10.695 0.970 -3.694 1.00 76.85 C ATOM 21 OD1 ASN A 703 11.523 0.267 -4.304 1.00 96.11 O ATOM 22 ND2 ASN A 703 9.381 0.765 -3.767 1.00 86.21 N ATOM 0 H ASN A 703 11.887 0.435 -1.059 1.00 44.75 H new ATOM 0 HA ASN A 703 13.246 1.822 -2.890 1.00 48.97 H new ATOM 0 HB2 ASN A 703 10.503 2.230 -2.101 1.00 58.68 H new ATOM 0 HB3 ASN A 703 11.148 2.927 -3.339 1.00 58.68 H new ATOM 0 HD21 ASN A 703 9.072 0.125 -4.251 1.00 86.21 H new ATOM 0 HD22 ASN A 703 8.842 1.273 -3.330 1.00 86.21 H new ATOM 23 N ILE A 704 13.114 2.801 -0.023 1.00 37.34 N ATOM 24 CA ILE A 704 13.522 3.846 0.913 1.00 32.97 C ATOM 25 C ILE A 704 14.869 3.403 1.579 1.00 30.02 C ATOM 26 O ILE A 704 15.153 2.230 1.675 1.00 31.36 O ATOM 27 CB ILE A 704 12.411 4.188 1.951 1.00 36.64 C ATOM 28 CG1 ILE A 704 11.947 2.969 2.753 1.00 42.42 C ATOM 29 CG2 ILE A 704 11.203 4.766 1.186 1.00 42.95 C ATOM 30 CD1 ILE A 704 10.946 3.272 3.860 1.00 44.19 C ATOM 0 H ILE A 704 13.108 2.012 0.318 1.00 37.34 H new ATOM 0 HA ILE A 704 13.663 4.677 0.432 1.00 32.97 H new ATOM 0 HB ILE A 704 12.781 4.823 2.584 1.00 36.64 H new ATOM 0 HG12 ILE A 704 11.550 2.329 2.142 1.00 42.42 H new ATOM 0 HG13 ILE A 704 12.724 2.542 3.146 1.00 42.42 H new ATOM 0 HG21 ILE A 704 10.497 4.987 1.814 1.00 42.95 H new ATOM 0 HG22 ILE A 704 11.474 5.567 0.710 1.00 42.95 H new ATOM 0 HG23 ILE A 704 10.877 4.109 0.552 1.00 42.95 H new ATOM 0 HD11 ILE A 704 10.707 2.449 4.315 1.00 44.19 H new ATOM 0 HD12 ILE A 704 11.343 3.888 4.495 1.00 44.19 H new ATOM 0 HD13 ILE A 704 10.150 3.672 3.476 1.00 44.19 H new ATOM 31 N CYS A 705 15.681 4.372 1.910 1.00 28.36 N ATOM 32 CA CYS A 705 16.885 4.187 2.741 1.00 28.38 C ATOM 33 C CYS A 705 16.557 3.536 4.082 1.00 28.15 C ATOM 34 O CYS A 705 15.663 3.946 4.798 1.00 24.32 O ATOM 35 CB CYS A 705 17.531 5.505 2.977 1.00 28.89 C ATOM 36 SG CYS A 705 19.090 5.510 4.022 1.00 26.19 S ATOM 0 H CYS A 705 15.561 5.186 1.660 1.00 28.36 H new ATOM 0 HA CYS A 705 17.487 3.596 2.263 1.00 28.38 H new ATOM 0 HB2 CYS A 705 17.744 5.896 2.115 1.00 28.89 H new ATOM 0 HB3 CYS A 705 16.882 6.088 3.400 1.00 28.89 H new ATOM 37 N GLU A 706 17.343 2.522 4.446 1.00 23.36 N ATOM 38 CA GLU A 706 17.110 1.770 5.625 1.00 28.11 C ATOM 39 C GLU A 706 17.311 2.614 6.896 1.00 20.79 C ATOM 40 O GLU A 706 16.701 2.318 7.879 1.00 22.53 O ATOM 41 CB GLU A 706 18.103 0.582 5.632 1.00 29.25 C ATOM 42 CG GLU A 706 17.893 -0.385 6.758 1.00 31.17 C ATOM 43 CD GLU A 706 16.757 -1.334 6.513 1.00 36.74 C ATOM 44 OE1 GLU A 706 16.094 -1.271 5.458 1.00 43.60 O ATOM 45 OE2 GLU A 706 16.571 -2.189 7.350 1.00 39.12 O ATOM 0 H GLU A 706 18.029 2.265 3.995 1.00 23.36 H new ATOM 0 HA GLU A 706 16.190 1.464 5.626 1.00 28.11 H new ATOM 0 HB2 GLU A 706 18.028 0.105 4.791 1.00 29.25 H new ATOM 0 HB3 GLU A 706 19.007 0.929 5.681 1.00 29.25 H new ATOM 0 HG2 GLU A 706 18.708 -0.893 6.897 1.00 31.17 H new ATOM 0 HG3 GLU A 706 17.724 0.110 7.575 1.00 31.17 H new ATOM 46 N VAL A 707 18.160 3.602 6.834 1.00 21.75 N ATOM 47 CA VAL A 707 18.607 4.405 7.983 1.00 23.20 C ATOM 48 C VAL A 707 17.625 5.563 8.189 1.00 26.97 C ATOM 49 O VAL A 707 17.091 5.718 9.280 1.00 25.28 O ATOM 50 CB VAL A 707 20.019 4.940 7.802 1.00 21.16 C ATOM 51 CG1 VAL A 707 20.511 5.799 8.965 1.00 20.75 C ATOM 52 CG2 VAL A 707 20.972 3.744 7.591 1.00 22.49 C ATOM 0 H VAL A 707 18.520 3.850 6.094 1.00 21.75 H new ATOM 0 HA VAL A 707 18.624 3.831 8.765 1.00 23.20 H new ATOM 0 HB VAL A 707 20.008 5.526 7.029 1.00 21.16 H new ATOM 0 HG11 VAL A 707 21.413 6.104 8.783 1.00 20.75 H new ATOM 0 HG12 VAL A 707 19.926 6.565 9.072 1.00 20.75 H new ATOM 0 HG13 VAL A 707 20.506 5.273 9.780 1.00 20.75 H new ATOM 0 HG21 VAL A 707 21.878 4.069 7.474 1.00 22.49 H new ATOM 0 HG22 VAL A 707 20.936 3.161 8.365 1.00 22.49 H new ATOM 0 HG23 VAL A 707 20.702 3.250 6.801 1.00 22.49 H new ATOM 53 N CYS A 708 17.387 6.354 7.132 1.00 27.07 N ATOM 54 CA CYS A 708 16.624 7.625 7.283 1.00 26.98 C ATOM 55 C CYS A 708 15.163 7.502 6.784 1.00 30.55 C ATOM 56 O CYS A 708 14.414 8.457 6.934 1.00 31.75 O ATOM 57 CB CYS A 708 17.351 8.798 6.682 1.00 27.19 C ATOM 58 SG CYS A 708 17.245 8.724 4.885 1.00 27.86 S ATOM 0 H CYS A 708 17.649 6.185 6.331 1.00 27.07 H new ATOM 0 HA CYS A 708 16.564 7.802 8.235 1.00 26.98 H new ATOM 0 HB2 CYS A 708 16.965 9.628 7.003 1.00 27.19 H new ATOM 0 HB3 CYS A 708 18.280 8.791 6.960 1.00 27.19 H new ATOM 59 N ASN A 709 14.808 6.364 6.176 1.00 30.39 N ATOM 60 CA ASN A 709 13.465 6.077 5.700 1.00 34.58 C ATOM 61 C ASN A 709 12.928 7.011 4.615 1.00 37.50 C ATOM 62 O ASN A 709 11.711 7.123 4.495 1.00 34.67 O ATOM 63 CB ASN A 709 12.495 6.061 6.856 1.00 34.27 C ATOM 64 CG ASN A 709 12.923 5.064 7.896 1.00 41.93 C ATOM 65 OD1 ASN A 709 13.458 5.428 8.922 1.00 44.61 O ATOM 66 ND2 ASN A 709 12.800 3.812 7.572 1.00 39.82 N ATOM 0 H ASN A 709 15.363 5.724 6.029 1.00 30.39 H new ATOM 0 HA ASN A 709 13.541 5.206 5.281 1.00 34.58 H new ATOM 0 HB2 ASN A 709 12.442 6.945 7.252 1.00 34.27 H new ATOM 0 HB3 ASN A 709 11.607 5.840 6.536 1.00 34.27 H new ATOM 0 HD21 ASN A 709 13.105 3.201 8.095 1.00 39.82 H new ATOM 0 HD22 ASN A 709 12.414 3.595 6.835 1.00 39.82 H new ATOM 67 N LYS A 710 13.831 7.654 3.867 1.00 33.09 N ATOM 68 CA LYS A 710 13.505 8.535 2.751 1.00 34.82 C ATOM 69 C LYS A 710 13.946 7.866 1.426 1.00 39.17 C ATOM 70 O LYS A 710 14.889 7.048 1.375 1.00 34.44 O ATOM 71 CB LYS A 710 14.211 9.866 2.909 1.00 32.18 C ATOM 72 CG LYS A 710 13.776 10.674 4.113 1.00 40.62 C ATOM 73 CD LYS A 710 12.364 11.183 4.003 1.00 43.14 C ATOM 74 CE LYS A 710 12.076 12.246 5.061 1.00 49.15 C ATOM 75 NZ LYS A 710 11.869 11.643 6.396 1.00 56.93 N ATOM 0 H LYS A 710 14.677 7.584 4.004 1.00 33.09 H new ATOM 0 HA LYS A 710 12.548 8.690 2.738 1.00 34.82 H new ATOM 0 HB2 LYS A 710 15.166 9.707 2.970 1.00 32.18 H new ATOM 0 HB3 LYS A 710 14.062 10.394 2.109 1.00 32.18 H new ATOM 0 HG2 LYS A 710 13.855 10.126 4.909 1.00 40.62 H new ATOM 0 HG3 LYS A 710 14.378 11.427 4.225 1.00 40.62 H new ATOM 0 HD2 LYS A 710 12.220 11.555 3.119 1.00 43.14 H new ATOM 0 HD3 LYS A 710 11.743 10.445 4.105 1.00 43.14 H new ATOM 0 HE2 LYS A 710 12.815 12.874 5.100 1.00 49.15 H new ATOM 0 HE3 LYS A 710 11.288 12.751 4.807 1.00 49.15 H new ATOM 0 HZ1 LYS A 710 11.704 12.285 6.990 1.00 56.93 H new ATOM 0 HZ2 LYS A 710 11.178 11.083 6.365 1.00 56.93 H new ATOM 0 HZ3 LYS A 710 12.601 11.198 6.637 1.00 56.93 H new ATOM 76 N TRP A 711 13.241 8.207 0.341 1.00 33.40 N ATOM 77 CA TRP A 711 13.690 7.937 -1.019 1.00 32.66 C ATOM 78 C TRP A 711 14.790 8.912 -1.387 1.00 31.57 C ATOM 79 O TRP A 711 15.194 9.776 -0.591 1.00 40.83 O ATOM 80 CB TRP A 711 12.454 7.914 -1.967 1.00 33.39 C ATOM 81 CG TRP A 711 12.740 7.617 -3.346 1.00 32.85 C ATOM 82 CD1 TRP A 711 13.059 6.415 -3.868 1.00 35.28 C ATOM 83 CD2 TRP A 711 12.753 8.548 -4.423 1.00 34.08 C ATOM 84 NE1 TRP A 711 13.279 6.531 -5.221 1.00 36.33 N ATOM 85 CE2 TRP A 711 13.109 7.839 -5.575 1.00 30.88 C ATOM 86 CE3 TRP A 711 12.478 9.921 -4.530 1.00 31.48 C ATOM 87 CZ2 TRP A 711 13.190 8.449 -6.828 1.00 36.22 C ATOM 88 CZ3 TRP A 711 12.566 10.510 -5.787 1.00 33.92 C ATOM 89 CH2 TRP A 711 12.910 9.779 -6.898 1.00 27.41 C ATOM 0 H TRP A 711 12.480 8.606 0.381 1.00 33.40 H new ATOM 0 HA TRP A 711 14.095 7.060 -1.107 1.00 32.66 H new ATOM 0 HB2 TRP A 711 11.823 7.257 -1.635 1.00 33.39 H new ATOM 0 HB3 TRP A 711 12.015 8.778 -1.922 1.00 33.39 H new ATOM 0 HD1 TRP A 711 13.121 5.623 -3.384 1.00 35.28 H new ATOM 0 HE1 TRP A 711 13.488 5.889 -5.753 1.00 36.33 H new ATOM 0 HE3 TRP A 711 12.244 10.422 -3.782 1.00 31.48 H new ATOM 0 HZ2 TRP A 711 13.426 7.965 -7.586 1.00 36.22 H new ATOM 0 HZ3 TRP A 711 12.388 11.418 -5.877 1.00 33.92 H new ATOM 0 HH2 TRP A 711 12.953 10.206 -7.723 1.00 27.41 H new ATOM 90 N GLY A 712 15.433 8.653 -2.533 1.00 29.26 N ATOM 91 CA GLY A 712 16.430 9.521 -3.079 1.00 27.44 C ATOM 92 C GLY A 712 17.340 8.648 -3.976 1.00 28.07 C ATOM 93 O GLY A 712 16.881 7.644 -4.534 1.00 31.98 O ATOM 0 H GLY A 712 15.286 7.952 -3.008 1.00 29.26 H new ATOM 0 HA2 GLY A 712 16.021 10.234 -3.594 1.00 27.44 H new ATOM 0 HA3 GLY A 712 16.945 9.941 -2.372 1.00 27.44 H new ATOM 94 N ARG A 713 18.584 9.078 -4.142 1.00 30.01 N ATOM 95 CA ARG A 713 19.644 8.277 -4.782 1.00 32.47 C ATOM 96 C ARG A 713 20.057 7.113 -3.837 1.00 33.13 C ATOM 97 O ARG A 713 20.685 7.327 -2.853 1.00 34.85 O ATOM 98 CB ARG A 713 20.818 9.172 -5.123 1.00 33.68 C ATOM 99 CG ARG A 713 21.989 8.556 -5.905 1.00 42.51 C ATOM 100 CD ARG A 713 21.551 7.842 -7.179 1.00 53.83 C ATOM 101 NE ARG A 713 22.585 6.980 -7.749 1.00 62.63 N ATOM 102 CZ ARG A 713 22.547 5.648 -7.863 1.00 64.14 C ATOM 103 NH1 ARG A 713 23.588 5.029 -8.396 1.00 68.91 N ATOM 104 NH2 ARG A 713 21.508 4.918 -7.463 1.00 65.93 N ATOM 0 H ARG A 713 18.849 9.855 -3.885 1.00 30.01 H new ATOM 0 HA ARG A 713 19.319 7.887 -5.608 1.00 32.47 H new ATOM 0 HB2 ARG A 713 20.480 9.923 -5.635 1.00 33.68 H new ATOM 0 HB3 ARG A 713 21.170 9.530 -4.293 1.00 33.68 H new ATOM 0 HG2 ARG A 713 22.621 9.255 -6.134 1.00 42.51 H new ATOM 0 HG3 ARG A 713 22.457 7.927 -5.333 1.00 42.51 H new ATOM 0 HD2 ARG A 713 20.764 7.308 -6.988 1.00 53.83 H new ATOM 0 HD3 ARG A 713 21.291 8.504 -7.839 1.00 53.83 H new ATOM 0 HE ARG A 713 23.293 7.371 -8.042 1.00 62.63 H new ATOM 0 HH11 ARG A 713 24.269 5.483 -8.660 1.00 68.91 H new ATOM 0 HH12 ARG A 713 23.583 4.173 -8.478 1.00 68.91 H new ATOM 0 HH21 ARG A 713 20.822 5.301 -7.114 1.00 65.93 H new ATOM 0 HH22 ARG A 713 21.523 4.063 -7.554 1.00 65.93 H new ATOM 105 N LEU A 714 19.604 5.918 -4.118 1.00 34.33 N ATOM 106 CA LEU A 714 19.785 4.782 -3.233 1.00 34.55 C ATOM 107 C LEU A 714 20.738 3.794 -3.914 1.00 43.96 C ATOM 108 O LEU A 714 20.699 3.638 -5.131 1.00 40.13 O ATOM 109 CB LEU A 714 18.477 4.073 -3.003 1.00 32.97 C ATOM 110 CG LEU A 714 17.411 4.916 -2.348 1.00 30.29 C ATOM 111 CD1 LEU A 714 16.115 4.161 -2.330 1.00 33.09 C ATOM 112 CD2 LEU A 714 17.813 5.427 -0.982 1.00 33.49 C ATOM 0 H LEU A 714 19.174 5.732 -4.839 1.00 34.33 H new ATOM 0 HA LEU A 714 20.135 5.096 -2.384 1.00 34.55 H new ATOM 0 HB2 LEU A 714 18.142 3.754 -3.855 1.00 32.97 H new ATOM 0 HB3 LEU A 714 18.639 3.292 -2.451 1.00 32.97 H new ATOM 0 HG LEU A 714 17.291 5.718 -2.880 1.00 30.29 H new ATOM 0 HD11 LEU A 714 15.430 4.703 -1.909 1.00 33.09 H new ATOM 0 HD12 LEU A 714 15.849 3.953 -3.239 1.00 33.09 H new ATOM 0 HD13 LEU A 714 16.227 3.337 -1.830 1.00 33.09 H new ATOM 0 HD21 LEU A 714 17.093 5.960 -0.611 1.00 33.49 H new ATOM 0 HD22 LEU A 714 17.994 4.676 -0.396 1.00 33.49 H new ATOM 0 HD23 LEU A 714 18.610 5.973 -1.062 1.00 33.49 H new ATOM 113 N PHE A 715 21.572 3.151 -3.106 1.00 40.45 N ATOM 114 CA PHE A 715 22.395 2.017 -3.491 1.00 37.71 C ATOM 115 C PHE A 715 21.823 0.764 -2.886 1.00 35.03 C ATOM 116 O PHE A 715 21.453 0.726 -1.728 1.00 40.25 O ATOM 117 CB PHE A 715 23.779 2.295 -3.041 1.00 36.78 C ATOM 118 CG PHE A 715 24.334 3.548 -3.633 1.00 42.32 C ATOM 119 CD1 PHE A 715 25.027 3.505 -4.847 1.00 44.09 C ATOM 120 CD2 PHE A 715 24.129 4.770 -3.038 1.00 49.15 C ATOM 121 CE1 PHE A 715 25.552 4.643 -5.410 1.00 47.96 C ATOM 122 CE2 PHE A 715 24.652 5.934 -3.605 1.00 53.13 C ATOM 123 CZ PHE A 715 25.376 5.867 -4.796 1.00 52.82 C ATOM 0 H PHE A 715 21.677 3.375 -2.282 1.00 40.45 H new ATOM 0 HA PHE A 715 22.407 1.883 -4.452 1.00 37.71 H new ATOM 0 HB2 PHE A 715 23.793 2.364 -2.074 1.00 36.78 H new ATOM 0 HB3 PHE A 715 24.350 1.548 -3.280 1.00 36.78 H new ATOM 0 HD1 PHE A 715 25.135 2.690 -5.282 1.00 44.09 H new ATOM 0 HD2 PHE A 715 23.637 4.822 -2.250 1.00 49.15 H new ATOM 0 HE1 PHE A 715 26.028 4.589 -6.207 1.00 47.96 H new ATOM 0 HE2 PHE A 715 24.518 6.755 -3.188 1.00 53.13 H new ATOM 0 HZ PHE A 715 25.736 6.638 -5.172 1.00 52.82 H new ATOM 124 N CYS A 716 21.751 -0.292 -3.650 1.00 32.23 N ATOM 125 CA CYS A 716 21.003 -1.445 -3.282 1.00 34.77 C ATOM 126 C CYS A 716 21.939 -2.567 -2.820 1.00 37.73 C ATOM 127 O CYS A 716 22.966 -2.781 -3.429 1.00 46.07 O ATOM 128 CB CYS A 716 20.114 -1.923 -4.433 1.00 46.30 C ATOM 129 SG CYS A 716 18.545 -1.011 -4.626 1.00 49.51 S ATOM 0 H CYS A 716 22.145 -0.357 -4.412 1.00 32.23 H new ATOM 0 HA CYS A 716 20.424 -1.201 -2.543 1.00 34.77 H new ATOM 0 HB2 CYS A 716 20.615 -1.856 -5.261 1.00 46.30 H new ATOM 0 HB3 CYS A 716 19.912 -2.862 -4.299 1.00 46.30 H new ATOM 0 HG CYS A 716 18.059 -0.817 -3.546 1.00 49.51 H new ATOM 130 N CYS A 717 21.562 -3.276 -1.753 1.00 36.79 N ATOM 131 CA CYS A 717 22.387 -4.406 -1.328 1.00 43.00 C ATOM 132 C CYS A 717 22.171 -5.560 -2.324 1.00 44.12 C ATOM 133 O CYS A 717 21.007 -5.871 -2.663 1.00 44.78 O ATOM 134 CB CYS A 717 21.992 -4.893 0.065 1.00 37.73 C ATOM 135 SG CYS A 717 23.119 -6.162 0.714 1.00 37.75 S ATOM 0 H CYS A 717 20.860 -3.127 -1.279 1.00 36.79 H new ATOM 0 HA CYS A 717 23.314 -4.122 -1.303 1.00 43.00 H new ATOM 0 HB2 CYS A 717 21.976 -4.138 0.674 1.00 37.73 H new ATOM 0 HB3 CYS A 717 21.091 -5.252 0.034 1.00 37.73 H new ATOM 136 N ASP A 718 23.259 -6.234 -2.700 1.00 46.96 N ATOM 137 CA ASP A 718 23.139 -7.449 -3.551 1.00 44.94 C ATOM 138 C ASP A 718 22.731 -8.711 -2.822 1.00 49.98 C ATOM 139 O ASP A 718 22.266 -9.652 -3.455 1.00 54.29 O ATOM 140 CB ASP A 718 24.376 -7.607 -4.413 1.00 46.25 C ATOM 141 CG ASP A 718 24.389 -6.611 -5.506 1.00 43.71 C ATOM 142 OD1 ASP A 718 23.350 -6.583 -6.177 1.00 59.85 O ATOM 143 OD2 ASP A 718 25.359 -5.827 -5.716 1.00 52.16 O ATOM 0 H ASP A 718 24.064 -6.020 -2.485 1.00 46.96 H new ATOM 0 HA ASP A 718 22.381 -7.302 -4.138 1.00 44.94 H new ATOM 0 HB2 ASP A 718 25.171 -7.503 -3.867 1.00 46.25 H new ATOM 0 HB3 ASP A 718 24.403 -8.502 -4.786 1.00 46.25 H new ATOM 144 N THR A 719 22.812 -8.737 -1.499 1.00 43.47 N ATOM 145 CA THR A 719 22.541 -9.947 -0.790 1.00 41.78 C ATOM 146 C THR A 719 21.402 -9.851 0.137 1.00 40.09 C ATOM 147 O THR A 719 21.129 -10.793 0.832 1.00 41.36 O ATOM 148 CB THR A 719 23.843 -10.450 -0.098 1.00 49.62 C ATOM 149 OG1 THR A 719 24.496 -9.401 0.658 1.00 43.22 O ATOM 150 CG2 THR A 719 24.812 -10.881 -1.167 1.00 49.88 C ATOM 0 H THR A 719 23.022 -8.064 -1.007 1.00 43.47 H new ATOM 0 HA THR A 719 22.258 -10.610 -1.439 1.00 41.78 H new ATOM 0 HB THR A 719 23.598 -11.172 0.502 1.00 49.62 H new ATOM 0 HG1 THR A 719 24.079 -9.272 1.376 1.00 43.22 H new ATOM 0 HG21 THR A 719 25.630 -11.198 -0.754 1.00 49.88 H new ATOM 0 HG22 THR A 719 24.418 -11.595 -1.692 1.00 49.88 H new ATOM 0 HG23 THR A 719 25.013 -10.128 -1.745 1.00 49.88 H new ATOM 151 N CYS A 720 20.724 -8.705 0.193 1.00 40.90 N ATOM 152 CA CYS A 720 19.513 -8.565 1.012 1.00 40.30 C ATOM 153 C CYS A 720 18.724 -7.435 0.359 1.00 32.27 C ATOM 154 O CYS A 720 19.280 -6.741 -0.443 1.00 36.75 O ATOM 155 CB CYS A 720 19.795 -8.277 2.508 1.00 38.91 C ATOM 156 SG CYS A 720 20.249 -6.543 2.922 1.00 37.62 S ATOM 0 H CYS A 720 20.947 -7.994 -0.236 1.00 40.90 H new ATOM 0 HA CYS A 720 19.021 -9.401 1.032 1.00 40.30 H new ATOM 0 HB2 CYS A 720 19.007 -8.517 3.020 1.00 38.91 H new ATOM 0 HB3 CYS A 720 20.513 -8.860 2.802 1.00 38.91 H new ATOM 157 N PRO A 721 17.455 -7.270 0.716 1.00 39.68 N ATOM 158 CA PRO A 721 16.625 -6.237 0.079 1.00 40.25 C ATOM 159 C PRO A 721 16.780 -4.799 0.612 1.00 45.12 C ATOM 160 O PRO A 721 16.053 -3.915 0.153 1.00 42.84 O ATOM 161 CB PRO A 721 15.213 -6.741 0.324 1.00 40.66 C ATOM 162 CG PRO A 721 15.289 -7.519 1.573 1.00 44.87 C ATOM 163 CD PRO A 721 16.701 -8.003 1.751 1.00 41.74 C ATOM 0 HA PRO A 721 16.886 -6.137 -0.850 1.00 40.25 H new ATOM 0 HB2 PRO A 721 14.588 -6.004 0.408 1.00 40.66 H new ATOM 0 HB3 PRO A 721 14.905 -7.291 -0.413 1.00 40.66 H new ATOM 0 HG2 PRO A 721 15.023 -6.971 2.328 1.00 44.87 H new ATOM 0 HG3 PRO A 721 14.677 -8.271 1.539 1.00 44.87 H new ATOM 0 HD2 PRO A 721 17.035 -7.808 2.641 1.00 41.74 H new ATOM 0 HD3 PRO A 721 16.767 -8.963 1.627 1.00 41.74 H new ATOM 164 N ARG A 722 17.732 -4.535 1.508 1.00 35.09 N ATOM 165 CA ARG A 722 17.942 -3.142 1.988 1.00 36.13 C ATOM 166 C ARG A 722 18.575 -2.212 0.990 1.00 29.33 C ATOM 167 O ARG A 722 19.394 -2.584 0.120 1.00 34.69 O ATOM 168 CB ARG A 722 18.794 -3.116 3.286 1.00 31.52 C ATOM 169 CG ARG A 722 18.189 -3.911 4.389 1.00 34.55 C ATOM 170 CD ARG A 722 19.147 -3.980 5.557 1.00 31.54 C ATOM 171 NE ARG A 722 18.523 -4.633 6.678 1.00 32.28 N ATOM 172 CZ ARG A 722 18.656 -5.923 6.971 1.00 30.00 C ATOM 173 NH1 ARG A 722 19.361 -6.716 6.191 1.00 34.20 N ATOM 174 NH2 ARG A 722 18.100 -6.388 8.036 1.00 34.19 N ATOM 0 H ARG A 722 18.260 -5.122 1.849 1.00 35.09 H new ATOM 0 HA ARG A 722 17.043 -2.816 2.151 1.00 36.13 H new ATOM 0 HB2 ARG A 722 19.680 -3.460 3.093 1.00 31.52 H new ATOM 0 HB3 ARG A 722 18.904 -2.197 3.578 1.00 31.52 H new ATOM 0 HG2 ARG A 722 17.353 -3.507 4.669 1.00 34.55 H new ATOM 0 HG3 ARG A 722 17.981 -4.806 4.077 1.00 34.55 H new ATOM 0 HD2 ARG A 722 19.948 -4.463 5.298 1.00 31.54 H new ATOM 0 HD3 ARG A 722 19.424 -3.085 5.809 1.00 31.54 H new ATOM 0 HE ARG A 722 18.029 -4.155 7.195 1.00 32.28 H new ATOM 0 HH11 ARG A 722 19.739 -6.400 5.486 1.00 34.20 H new ATOM 0 HH12 ARG A 722 19.443 -7.549 6.386 1.00 34.20 H new ATOM 0 HH21 ARG A 722 17.649 -5.865 8.549 1.00 34.19 H new ATOM 0 HH22 ARG A 722 18.180 -7.221 8.234 1.00 34.19 H new ATOM 175 N SER A 723 18.241 -0.944 1.126 1.00 31.05 N ATOM 176 CA SER A 723 18.885 0.120 0.320 1.00 28.84 C ATOM 177 C SER A 723 19.319 1.278 1.177 1.00 29.76 C ATOM 178 O SER A 723 18.690 1.495 2.245 1.00 31.12 O ATOM 179 CB SER A 723 17.885 0.641 -0.802 1.00 35.51 C ATOM 180 OG SER A 723 17.261 -0.517 -1.490 1.00 36.23 O ATOM 0 H SER A 723 17.644 -0.661 1.676 1.00 31.05 H new ATOM 0 HA SER A 723 19.673 -0.266 -0.095 1.00 28.84 H new ATOM 0 HB2 SER A 723 17.200 1.200 -0.403 1.00 35.51 H new ATOM 0 HB3 SER A 723 18.362 1.191 -1.443 1.00 35.51 H new ATOM 0 HG SER A 723 16.463 -0.334 -1.679 1.00 36.23 H new ATOM 181 N PHE A 724 20.283 2.045 0.671 1.00 27.01 N ATOM 182 CA PHE A 724 20.964 3.114 1.385 1.00 27.62 C ATOM 183 C PHE A 724 21.262 4.323 0.592 1.00 29.05 C ATOM 184 O PHE A 724 21.836 4.275 -0.511 1.00 29.65 O ATOM 185 CB PHE A 724 22.305 2.636 2.038 1.00 27.53 C ATOM 186 CG PHE A 724 22.121 1.463 2.931 1.00 29.47 C ATOM 187 CD1 PHE A 724 22.029 0.192 2.405 1.00 27.83 C ATOM 188 CD2 PHE A 724 21.993 1.617 4.331 1.00 25.66 C ATOM 189 CE1 PHE A 724 21.799 -0.946 3.201 1.00 28.29 C ATOM 190 CE2 PHE A 724 21.714 0.488 5.112 1.00 23.96 C ATOM 191 CZ PHE A 724 21.675 -0.823 4.570 1.00 25.82 C ATOM 0 H PHE A 724 20.568 1.949 -0.135 1.00 27.01 H new ATOM 0 HA PHE A 724 20.312 3.358 2.060 1.00 27.62 H new ATOM 0 HB2 PHE A 724 22.938 2.410 1.339 1.00 27.53 H new ATOM 0 HB3 PHE A 724 22.692 3.367 2.545 1.00 27.53 H new ATOM 0 HD1 PHE A 724 22.123 0.082 1.486 1.00 27.83 H new ATOM 0 HD2 PHE A 724 22.092 2.453 4.726 1.00 25.66 H new ATOM 0 HE1 PHE A 724 21.730 -1.784 2.803 1.00 28.29 H new ATOM 0 HE2 PHE A 724 21.548 0.602 6.020 1.00 23.96 H new ATOM 0 HZ PHE A 724 21.570 -1.569 5.115 1.00 25.82 H new ATOM 192 N HIS A 725 21.091 5.480 1.230 1.00 28.07 N ATOM 193 CA HIS A 725 21.818 6.611 0.724 1.00 25.85 C ATOM 194 C HIS A 725 23.295 6.376 0.929 1.00 35.93 C ATOM 195 O HIS A 725 23.720 5.725 1.924 1.00 28.25 O ATOM 196 CB HIS A 725 21.474 7.951 1.362 1.00 31.52 C ATOM 197 CG HIS A 725 20.079 8.380 1.121 1.00 32.41 C ATOM 198 ND1 HIS A 725 19.115 8.333 2.089 1.00 31.29 N ATOM 199 CD2 HIS A 725 19.465 8.883 0.015 1.00 36.73 C ATOM 200 CE1 HIS A 725 17.952 8.742 1.616 1.00 30.63 C ATOM 201 NE2 HIS A 725 18.137 9.093 0.352 1.00 33.67 N ATOM 0 H HIS A 725 20.589 5.617 1.915 1.00 28.07 H new ATOM 0 HA HIS A 725 21.564 6.676 -0.210 1.00 25.85 H new ATOM 0 HB2 HIS A 725 21.626 7.894 2.318 1.00 31.52 H new ATOM 0 HB3 HIS A 725 22.077 8.629 1.018 1.00 31.52 H new ATOM 0 HD2 HIS A 725 19.861 9.053 -0.809 1.00 36.73 H new ATOM 0 HE1 HIS A 725 17.149 8.777 2.085 1.00 30.63 H new ATOM 0 HE2 HIS A 725 17.531 9.401 -0.174 1.00 33.67 H new ATOM 202 N GLU A 726 24.075 7.003 0.049 1.00 30.40 N ATOM 203 CA GLU A 726 25.539 6.922 0.086 1.00 33.73 C ATOM 204 C GLU A 726 26.174 7.151 1.464 1.00 34.80 C ATOM 205 O GLU A 726 26.928 6.289 1.902 1.00 35.93 O ATOM 206 CB GLU A 726 26.144 7.929 -0.878 1.00 36.72 C ATOM 207 CG GLU A 726 27.673 7.936 -0.895 1.00 40.40 C ATOM 208 CD GLU A 726 28.287 8.740 -2.025 1.00 50.00 C ATOM 209 OE1 GLU A 726 27.542 9.476 -2.709 1.00 52.49 O ATOM 210 OE2 GLU A 726 29.519 8.621 -2.215 1.00 49.96 O ATOM 0 H GLU A 726 23.770 7.490 -0.590 1.00 30.40 H new ATOM 0 HA GLU A 726 25.736 6.006 -0.166 1.00 33.73 H new ATOM 0 HB2 GLU A 726 25.821 7.740 -1.773 1.00 36.72 H new ATOM 0 HB3 GLU A 726 25.829 8.816 -0.644 1.00 36.72 H new ATOM 0 HG2 GLU A 726 27.993 8.290 -0.051 1.00 40.40 H new ATOM 0 HG3 GLU A 726 27.988 7.021 -0.956 1.00 40.40 H new ATOM 211 N HIS A 727 25.903 8.297 2.083 1.00 30.28 N ATOM 212 CA HIS A 727 26.426 8.664 3.405 1.00 32.25 C ATOM 213 C HIS A 727 25.521 8.314 4.611 1.00 23.65 C ATOM 214 O HIS A 727 25.858 8.610 5.724 1.00 28.24 O ATOM 215 CB HIS A 727 26.704 10.132 3.404 1.00 33.65 C ATOM 216 CG HIS A 727 27.717 10.520 2.385 1.00 41.36 C ATOM 217 ND1 HIS A 727 28.922 9.855 2.251 1.00 47.65 N ATOM 218 CD2 HIS A 727 27.724 11.502 1.465 1.00 50.24 C ATOM 219 CE1 HIS A 727 29.629 10.414 1.286 1.00 54.23 C ATOM 220 NE2 HIS A 727 28.922 11.413 0.789 1.00 58.78 N ATOM 0 H HIS A 727 25.397 8.901 1.739 1.00 30.28 H new ATOM 0 HA HIS A 727 27.224 8.128 3.534 1.00 32.25 H new ATOM 0 HB2 HIS A 727 25.879 10.614 3.236 1.00 33.65 H new ATOM 0 HB3 HIS A 727 27.015 10.400 4.283 1.00 33.65 H new ATOM 0 HD2 HIS A 727 27.049 12.123 1.314 1.00 50.24 H new ATOM 0 HE1 HIS A 727 30.476 10.151 1.006 1.00 54.23 H new ATOM 0 HE2 HIS A 727 29.170 11.927 0.145 1.00 58.78 H new ATOM 221 N CYS A 728 24.415 7.657 4.367 1.00 24.03 N ATOM 222 CA CYS A 728 23.640 7.003 5.438 1.00 23.58 C ATOM 223 C CYS A 728 24.276 5.634 5.800 1.00 24.22 C ATOM 224 O CYS A 728 24.333 5.261 6.974 1.00 23.06 O ATOM 225 CB CYS A 728 22.183 6.809 5.056 1.00 25.99 C ATOM 226 SG CYS A 728 21.188 8.365 5.166 1.00 27.72 S ATOM 0 H CYS A 728 24.077 7.567 3.582 1.00 24.03 H new ATOM 0 HA CYS A 728 23.665 7.590 6.210 1.00 23.58 H new ATOM 0 HB2 CYS A 728 22.135 6.465 4.150 1.00 25.99 H new ATOM 0 HB3 CYS A 728 21.789 6.138 5.636 1.00 25.99 H new ATOM 227 N HIS A 729 24.730 4.902 4.805 1.00 23.87 N ATOM 228 CA HIS A 729 25.482 3.657 5.076 1.00 23.47 C ATOM 229 C HIS A 729 26.759 4.011 5.823 1.00 20.54 C ATOM 230 O HIS A 729 27.357 5.058 5.613 1.00 20.94 O ATOM 231 CB HIS A 729 25.792 2.865 3.775 1.00 22.50 C ATOM 232 CG HIS A 729 26.174 1.460 4.044 1.00 19.00 C ATOM 233 ND1 HIS A 729 27.474 1.109 4.249 1.00 22.60 N ATOM 234 CD2 HIS A 729 25.439 0.350 4.229 1.00 22.16 C ATOM 235 CE1 HIS A 729 27.549 -0.187 4.423 1.00 22.19 C ATOM 236 NE2 HIS A 729 26.331 -0.665 4.455 1.00 22.13 N ATOM 0 H HIS A 729 24.625 5.090 3.972 1.00 23.87 H new ATOM 0 HA HIS A 729 24.933 3.073 5.623 1.00 23.47 H new ATOM 0 HB2 HIS A 729 25.013 2.880 3.197 1.00 22.50 H new ATOM 0 HB3 HIS A 729 26.510 3.306 3.295 1.00 22.50 H new ATOM 0 HD1 HIS A 729 28.140 1.653 4.262 1.00 22.60 H new ATOM 0 HD2 HIS A 729 24.512 0.284 4.208 1.00 22.16 H new ATOM 0 HE1 HIS A 729 28.332 -0.682 4.509 1.00 22.19 H new ATOM 237 N ILE A 730 27.232 3.127 6.739 1.00 19.17 N ATOM 238 CA ILE A 730 28.507 3.350 7.377 1.00 19.87 C ATOM 239 C ILE A 730 29.256 1.975 7.236 1.00 24.67 C ATOM 240 O ILE A 730 28.697 0.937 7.583 1.00 23.28 O ATOM 241 CB ILE A 730 28.389 3.623 8.891 1.00 21.53 C ATOM 242 CG1 ILE A 730 27.429 4.802 9.109 1.00 21.89 C ATOM 243 CG2 ILE A 730 29.757 3.880 9.493 1.00 21.06 C ATOM 244 CD1 ILE A 730 27.259 5.136 10.623 1.00 23.10 C ATOM 0 H ILE A 730 26.822 2.412 6.985 1.00 19.17 H new ATOM 0 HA ILE A 730 28.942 4.117 6.973 1.00 19.87 H new ATOM 0 HB ILE A 730 28.027 2.845 9.344 1.00 21.53 H new ATOM 0 HG12 ILE A 730 27.764 5.583 8.641 1.00 21.89 H new ATOM 0 HG13 ILE A 730 26.564 4.590 8.725 1.00 21.89 H new ATOM 0 HG21 ILE A 730 29.666 4.050 10.444 1.00 21.06 H new ATOM 0 HG22 ILE A 730 30.322 3.103 9.356 1.00 21.06 H new ATOM 0 HG23 ILE A 730 30.160 4.652 9.065 1.00 21.06 H new ATOM 0 HD11 ILE A 730 26.648 5.883 10.723 1.00 23.10 H new ATOM 0 HD12 ILE A 730 26.902 4.363 11.087 1.00 23.10 H new ATOM 0 HD13 ILE A 730 28.121 5.371 11.002 1.00 23.10 H new ATOM 245 N PRO A 731 30.435 2.003 6.688 1.00 25.36 N ATOM 246 CA PRO A 731 31.103 3.105 5.972 1.00 25.82 C ATOM 247 C PRO A 731 30.331 3.582 4.732 1.00 25.52 C ATOM 248 O PRO A 731 29.466 2.867 4.300 1.00 26.38 O ATOM 249 CB PRO A 731 32.408 2.448 5.463 1.00 32.79 C ATOM 250 CG PRO A 731 32.524 1.197 6.199 1.00 28.71 C ATOM 251 CD PRO A 731 31.172 0.718 6.600 1.00 33.43 C ATOM 0 HA PRO A 731 31.203 3.875 6.553 1.00 25.82 H new ATOM 0 HB2 PRO A 731 32.369 2.289 4.507 1.00 32.79 H new ATOM 0 HB3 PRO A 731 33.174 3.021 5.624 1.00 32.79 H new ATOM 0 HG2 PRO A 731 32.963 0.529 5.650 1.00 28.71 H new ATOM 0 HG3 PRO A 731 33.077 1.325 6.986 1.00 28.71 H new ATOM 0 HD2 PRO A 731 30.786 0.117 5.944 1.00 33.43 H new ATOM 0 HD3 PRO A 731 31.186 0.244 7.446 1.00 33.43 H new ATOM 252 N SER A 732 30.587 4.804 4.247 1.00 29.55 N ATOM 253 CA SER A 732 29.918 5.323 2.976 1.00 34.22 C ATOM 254 C SER A 732 29.982 4.315 1.839 1.00 35.95 C ATOM 255 O SER A 732 30.966 3.583 1.727 1.00 37.47 O ATOM 256 CB SER A 732 30.558 6.577 2.471 1.00 38.56 C ATOM 257 OG SER A 732 30.312 7.600 3.384 1.00 43.20 O ATOM 0 H SER A 732 31.132 5.360 4.613 1.00 29.55 H new ATOM 0 HA SER A 732 28.997 5.489 3.232 1.00 34.22 H new ATOM 0 HB2 SER A 732 31.513 6.447 2.360 1.00 38.56 H new ATOM 0 HB3 SER A 732 30.201 6.810 1.600 1.00 38.56 H new ATOM 0 HG SER A 732 29.908 8.228 2.999 1.00 43.20 H new ATOM 258 N VAL A 733 28.895 4.180 1.099 1.00 33.80 N ATOM 259 CA VAL A 733 28.734 3.072 0.127 1.00 36.28 C ATOM 260 C VAL A 733 29.903 3.109 -0.828 1.00 46.48 C ATOM 261 O VAL A 733 30.285 4.175 -1.293 1.00 45.46 O ATOM 262 CB VAL A 733 27.431 3.100 -0.645 1.00 38.22 C ATOM 263 CG1 VAL A 733 27.460 2.065 -1.806 1.00 36.86 C ATOM 264 CG2 VAL A 733 26.232 2.790 0.272 1.00 36.19 C ATOM 0 H VAL A 733 28.224 4.717 1.134 1.00 33.80 H new ATOM 0 HA VAL A 733 28.710 2.246 0.635 1.00 36.28 H new ATOM 0 HB VAL A 733 27.329 3.994 -1.007 1.00 38.22 H new ATOM 0 HG11 VAL A 733 26.619 2.096 -2.289 1.00 36.86 H new ATOM 0 HG12 VAL A 733 28.188 2.277 -2.411 1.00 36.86 H new ATOM 0 HG13 VAL A 733 27.591 1.175 -1.443 1.00 36.86 H new ATOM 0 HG21 VAL A 733 25.413 2.815 -0.247 1.00 36.19 H new ATOM 0 HG22 VAL A 733 26.342 1.908 0.661 1.00 36.19 H new ATOM 0 HG23 VAL A 733 26.186 3.452 0.980 1.00 36.19 H new ATOM 265 N GLU A 734 30.517 1.936 -1.022 1.00 54.28 N ATOM 266 CA GLU A 734 31.814 1.819 -1.713 1.00 63.37 C ATOM 267 C GLU A 734 31.611 2.072 -3.247 1.00 66.65 C ATOM 268 O GLU A 734 30.543 1.734 -3.800 1.00 59.27 O ATOM 269 CB GLU A 734 32.449 0.442 -1.390 1.00 62.93 C ATOM 270 CG GLU A 734 32.813 0.185 0.093 1.00 64.61 C ATOM 271 CD GLU A 734 31.642 -0.054 1.095 1.00 69.38 C ATOM 272 OE1 GLU A 734 30.500 -0.285 0.693 1.00 66.83 O ATOM 273 OE2 GLU A 734 31.842 -0.034 2.330 1.00 72.76 O ATOM 0 H GLU A 734 30.195 1.184 -0.757 1.00 54.28 H new ATOM 0 HA GLU A 734 32.438 2.492 -1.400 1.00 63.37 H new ATOM 0 HB2 GLU A 734 31.835 -0.251 -1.677 1.00 62.93 H new ATOM 0 HB3 GLU A 734 33.254 0.346 -1.922 1.00 62.93 H new ATOM 0 HG2 GLU A 734 33.398 -0.588 0.127 1.00 64.61 H new ATOM 0 HG3 GLU A 734 33.327 0.944 0.410 1.00 64.61 H new ATOM 274 N ALA A 735 32.596 2.714 -3.899 1.00 80.88 N ATOM 275 CA ALA A 735 32.475 3.194 -5.319 1.00 89.20 C ATOM 276 C ALA A 735 32.143 2.088 -6.333 1.00101.60 C ATOM 277 O ALA A 735 31.145 2.172 -7.078 1.00104.11 O ATOM 278 CB ALA A 735 33.739 3.923 -5.773 1.00 82.03 C ATOM 0 H ALA A 735 33.358 2.889 -3.541 1.00 80.88 H new ATOM 0 HA ALA A 735 31.722 3.806 -5.305 1.00 89.20 H new ATOM 0 HB1 ALA A 735 33.630 4.219 -6.690 1.00 82.03 H new ATOM 0 HB2 ALA A 735 33.893 4.691 -5.201 1.00 82.03 H new ATOM 0 HB3 ALA A 735 34.498 3.321 -5.716 1.00 82.03 H new ATOM 279 N ASN A 736 32.985 1.060 -6.357 1.00 97.17 N ATOM 280 CA ASN A 736 32.778 -0.060 -7.252 1.00103.60 C ATOM 281 C ASN A 736 32.176 -1.242 -6.456 1.00101.38 C ATOM 282 O ASN A 736 31.146 -1.042 -5.805 1.00112.83 O ATOM 283 CB ASN A 736 34.080 -0.337 -8.018 1.00112.05 C ATOM 284 CG ASN A 736 33.827 -0.928 -9.387 1.00106.03 C ATOM 285 OD1 ASN A 736 33.514 -2.110 -9.505 1.00120.24 O ATOM 286 ND2 ASN A 736 33.939 -0.102 -10.430 1.00 91.17 N ATOM 0 H ASN A 736 33.683 0.996 -5.859 1.00 97.17 H new ATOM 0 HA ASN A 736 32.123 0.127 -7.942 1.00103.60 H new ATOM 0 HB2 ASN A 736 34.579 0.489 -8.112 1.00112.05 H new ATOM 0 HB3 ASN A 736 34.633 -0.945 -7.503 1.00112.05 H new ATOM 0 HD21 ASN A 736 33.790 -0.392 -11.226 1.00 91.17 H new ATOM 0 HD22 ASN A 736 34.161 0.720 -10.306 1.00 91.17 H new ATOM 287 N LYS A 737 32.778 -2.436 -6.493 1.00100.50 N ATOM 288 CA LYS A 737 32.272 -3.620 -5.779 1.00103.93 C ATOM 289 C LYS A 737 30.915 -4.062 -6.334 1.00100.22 C ATOM 290 O LYS A 737 29.865 -3.589 -5.903 1.00105.04 O ATOM 291 CB LYS A 737 32.204 -3.404 -4.249 1.00 96.08 C ATOM 0 H LYS A 737 33.499 -2.584 -6.938 1.00100.50 H new ATOM 0 HA LYS A 737 32.911 -4.334 -5.933 1.00103.93 H new ATOM 292 N ASN A 738 30.959 -4.941 -7.327 1.00 90.76 N ATOM 293 CA ASN A 738 29.778 -5.665 -7.792 1.00 83.16 C ATOM 294 C ASN A 738 30.133 -7.128 -7.608 1.00 81.98 C ATOM 295 O ASN A 738 31.186 -7.520 -8.080 1.00 94.81 O ATOM 296 CB ASN A 738 29.504 -5.354 -9.261 1.00 87.38 C ATOM 297 CG ASN A 738 29.774 -3.886 -9.612 1.00 83.71 C ATOM 298 OD1 ASN A 738 30.839 -3.339 -9.303 1.00 81.43 O ATOM 299 ND2 ASN A 738 28.812 -3.248 -10.261 1.00 83.50 N ATOM 0 H ASN A 738 31.679 -5.137 -7.754 1.00 90.76 H new ATOM 0 HA ASN A 738 28.976 -5.418 -7.306 1.00 83.16 H new ATOM 0 HB2 ASN A 738 30.058 -5.923 -9.818 1.00 87.38 H new ATOM 0 HB3 ASN A 738 28.581 -5.568 -9.467 1.00 87.38 H new ATOM 0 HD21 ASN A 738 28.916 -2.424 -10.483 1.00 83.50 H new ATOM 0 HD22 ASN A 738 28.083 -3.658 -10.461 1.00 83.50 H new ATOM 300 N PRO A 739 29.369 -7.926 -6.861 1.00 78.42 N ATOM 301 CA PRO A 739 28.277 -7.467 -6.025 1.00 77.23 C ATOM 302 C PRO A 739 28.721 -6.630 -4.793 1.00 68.22 C ATOM 303 O PRO A 739 29.893 -6.634 -4.406 1.00 65.47 O ATOM 304 CB PRO A 739 27.639 -8.780 -5.575 1.00 82.28 C ATOM 305 CG PRO A 739 28.793 -9.725 -5.466 1.00 81.47 C ATOM 306 CD PRO A 739 29.787 -9.299 -6.507 1.00 78.34 C ATOM 0 HA PRO A 739 27.690 -6.864 -6.508 1.00 77.23 H new ATOM 0 HB2 PRO A 739 27.181 -8.680 -4.726 1.00 82.28 H new ATOM 0 HB3 PRO A 739 26.982 -9.094 -6.216 1.00 82.28 H new ATOM 0 HG2 PRO A 739 29.185 -9.692 -4.579 1.00 81.47 H new ATOM 0 HG3 PRO A 739 28.506 -10.640 -5.615 1.00 81.47 H new ATOM 0 HD2 PRO A 739 30.693 -9.316 -6.161 1.00 78.34 H new ATOM 0 HD3 PRO A 739 29.767 -9.886 -7.279 1.00 78.34 H new ATOM 307 N TRP A 740 27.762 -5.913 -4.215 1.00 54.36 N ATOM 308 CA TRP A 740 27.961 -5.165 -2.969 1.00 50.76 C ATOM 309 C TRP A 740 27.100 -5.727 -1.855 1.00 42.19 C ATOM 310 O TRP A 740 25.896 -6.072 -2.022 1.00 38.35 O ATOM 311 CB TRP A 740 27.667 -3.690 -3.187 1.00 52.44 C ATOM 312 CG TRP A 740 27.853 -2.857 -1.947 1.00 52.23 C ATOM 313 CD1 TRP A 740 29.024 -2.502 -1.351 1.00 46.89 C ATOM 314 CD2 TRP A 740 26.808 -2.261 -1.189 1.00 41.08 C ATOM 315 NE1 TRP A 740 28.772 -1.711 -0.260 1.00 45.24 N ATOM 316 CE2 TRP A 740 27.417 -1.563 -0.124 1.00 42.30 C ATOM 317 CE3 TRP A 740 25.415 -2.269 -1.300 1.00 40.68 C ATOM 318 CZ2 TRP A 740 26.694 -0.906 0.834 1.00 35.78 C ATOM 319 CZ3 TRP A 740 24.669 -1.583 -0.348 1.00 40.31 C ATOM 320 CH2 TRP A 740 25.322 -0.868 0.683 1.00 41.13 C ATOM 0 H TRP A 740 26.967 -5.844 -4.536 1.00 54.36 H new ATOM 0 HA TRP A 740 28.889 -5.258 -2.702 1.00 50.76 H new ATOM 0 HB2 TRP A 740 28.247 -3.351 -3.887 1.00 52.44 H new ATOM 0 HB3 TRP A 740 26.755 -3.591 -3.502 1.00 52.44 H new ATOM 0 HD1 TRP A 740 29.870 -2.758 -1.641 1.00 46.89 H new ATOM 0 HE1 TRP A 740 29.367 -1.364 0.255 1.00 45.24 H new ATOM 0 HE3 TRP A 740 24.996 -2.723 -1.995 1.00 40.68 H new ATOM 0 HZ2 TRP A 740 27.111 -0.500 1.560 1.00 35.78 H new ATOM 0 HZ3 TRP A 740 23.740 -1.594 -0.389 1.00 40.31 H new ATOM 0 HH2 TRP A 740 24.815 -0.360 1.274 1.00 41.13 H new ATOM 321 N SER A 741 27.721 -5.867 -0.686 1.00 39.93 N ATOM 322 CA SER A 741 27.019 -6.373 0.444 1.00 33.55 C ATOM 323 C SER A 741 27.050 -5.236 1.517 1.00 29.11 C ATOM 324 O SER A 741 28.085 -4.698 1.811 1.00 25.24 O ATOM 325 CB SER A 741 27.629 -7.690 0.918 1.00 43.74 C ATOM 326 OG SER A 741 26.964 -8.820 0.322 1.00 43.18 O ATOM 0 H SER A 741 28.546 -5.671 -0.544 1.00 39.93 H new ATOM 0 HA SER A 741 26.097 -6.595 0.239 1.00 33.55 H new ATOM 0 HB2 SER A 741 28.572 -7.711 0.693 1.00 43.74 H new ATOM 0 HB3 SER A 741 27.567 -7.748 1.884 1.00 43.74 H new ATOM 0 HG SER A 741 26.142 -8.784 0.493 1.00 43.18 H new ATOM 327 N CYS A 742 25.879 -4.913 2.021 1.00 29.07 N ATOM 328 CA CYS A 742 25.712 -3.901 3.104 1.00 29.41 C ATOM 329 C CYS A 742 26.255 -4.429 4.438 1.00 27.15 C ATOM 330 O CYS A 742 26.392 -5.636 4.679 1.00 25.46 O ATOM 331 CB CYS A 742 24.168 -3.578 3.289 1.00 22.37 C ATOM 332 SG CYS A 742 23.119 -4.619 4.201 1.00 26.58 S ATOM 0 H CYS A 742 25.139 -5.264 1.758 1.00 29.07 H new ATOM 0 HA CYS A 742 26.204 -3.104 2.851 1.00 29.41 H new ATOM 0 HB2 CYS A 742 24.112 -2.698 3.694 1.00 22.37 H new ATOM 0 HB3 CYS A 742 23.788 -3.506 2.400 1.00 22.37 H new ATOM 333 N ILE A 743 26.400 -3.485 5.373 1.00 26.81 N ATOM 334 CA ILE A 743 26.840 -3.755 6.708 1.00 23.79 C ATOM 335 C ILE A 743 25.998 -4.778 7.446 1.00 25.47 C ATOM 336 O ILE A 743 26.540 -5.571 8.211 1.00 24.76 O ATOM 337 CB ILE A 743 27.038 -2.453 7.484 1.00 25.43 C ATOM 338 CG1 ILE A 743 27.813 -2.796 8.808 1.00 26.58 C ATOM 339 CG2 ILE A 743 25.720 -1.751 7.664 1.00 24.36 C ATOM 340 CD1 ILE A 743 28.488 -1.638 9.429 1.00 30.38 C ATOM 0 H ILE A 743 26.237 -2.653 5.227 1.00 26.81 H new ATOM 0 HA ILE A 743 27.705 -4.187 6.635 1.00 23.79 H new ATOM 0 HB ILE A 743 27.583 -1.812 7.001 1.00 25.43 H new ATOM 0 HG12 ILE A 743 27.190 -3.176 9.447 1.00 26.58 H new ATOM 0 HG13 ILE A 743 28.474 -3.479 8.616 1.00 26.58 H new ATOM 0 HG21 ILE A 743 25.857 -0.927 8.157 1.00 24.36 H new ATOM 0 HG22 ILE A 743 25.340 -1.548 6.795 1.00 24.36 H new ATOM 0 HG23 ILE A 743 25.112 -2.325 8.156 1.00 24.36 H new ATOM 0 HD11 ILE A 743 28.943 -1.923 10.237 1.00 30.38 H new ATOM 0 HD12 ILE A 743 29.135 -1.269 8.808 1.00 30.38 H new ATOM 0 HD13 ILE A 743 27.830 -0.961 9.651 1.00 30.38 H new ATOM 341 N PHE A 744 24.666 -4.788 7.274 1.00 26.67 N ATOM 342 CA PHE A 744 23.869 -5.821 7.882 1.00 26.12 C ATOM 343 C PHE A 744 24.308 -7.241 7.417 1.00 27.25 C ATOM 344 O PHE A 744 24.373 -8.203 8.233 1.00 26.04 O ATOM 345 CB PHE A 744 22.337 -5.643 7.627 1.00 28.51 C ATOM 346 CG PHE A 744 21.738 -4.412 8.257 1.00 23.91 C ATOM 347 CD1 PHE A 744 21.869 -3.199 7.662 1.00 25.02 C ATOM 348 CD2 PHE A 744 20.955 -4.546 9.377 1.00 24.84 C ATOM 349 CE1 PHE A 744 21.256 -2.054 8.236 1.00 25.39 C ATOM 350 CE2 PHE A 744 20.358 -3.453 9.959 1.00 25.54 C ATOM 351 CZ PHE A 744 20.502 -2.217 9.368 1.00 23.89 C ATOM 0 H PHE A 744 24.226 -4.209 6.814 1.00 26.67 H new ATOM 0 HA PHE A 744 24.025 -5.734 8.835 1.00 26.12 H new ATOM 0 HB2 PHE A 744 22.181 -5.611 6.670 1.00 28.51 H new ATOM 0 HB3 PHE A 744 21.871 -6.424 7.964 1.00 28.51 H new ATOM 0 HD1 PHE A 744 22.361 -3.118 6.877 1.00 25.02 H new ATOM 0 HD2 PHE A 744 20.827 -5.389 9.748 1.00 24.84 H new ATOM 0 HE1 PHE A 744 21.364 -1.214 7.853 1.00 25.39 H new ATOM 0 HE2 PHE A 744 19.864 -3.547 10.741 1.00 25.54 H new ATOM 0 HZ PHE A 744 20.079 -1.479 9.745 1.00 23.89 H new ATOM 352 N CYS A 745 24.562 -7.348 6.126 1.00 30.38 N ATOM 353 CA CYS A 745 24.975 -8.653 5.538 1.00 31.52 C ATOM 354 C CYS A 745 26.381 -9.066 6.055 1.00 30.07 C ATOM 355 O CYS A 745 26.622 -10.247 6.335 1.00 31.93 O ATOM 356 CB CYS A 745 24.960 -8.578 3.991 1.00 30.50 C ATOM 357 SG CYS A 745 23.241 -8.631 3.398 1.00 36.97 S ATOM 0 H CYS A 745 24.508 -6.699 5.564 1.00 30.38 H new ATOM 0 HA CYS A 745 24.339 -9.330 5.817 1.00 31.52 H new ATOM 0 HB2 CYS A 745 25.390 -7.761 3.693 1.00 30.50 H new ATOM 0 HB3 CYS A 745 25.464 -9.317 3.617 1.00 30.50 H new ATOM 358 N ARG A 746 27.277 -8.086 6.154 1.00 27.59 N ATOM 359 CA ARG A 746 28.634 -8.329 6.600 1.00 27.38 C ATOM 360 C ARG A 746 28.668 -8.764 8.044 1.00 29.05 C ATOM 361 O ARG A 746 29.384 -9.698 8.375 1.00 28.92 O ATOM 362 CB ARG A 746 29.511 -7.141 6.403 1.00 28.65 C ATOM 363 CG ARG A 746 29.663 -6.940 4.938 1.00 30.48 C ATOM 364 CD ARG A 746 30.286 -5.655 4.594 1.00 33.84 C ATOM 365 NE ARG A 746 31.646 -5.633 5.033 1.00 42.03 N ATOM 366 CZ ARG A 746 32.407 -4.535 5.066 1.00 53.54 C ATOM 367 NH1 ARG A 746 31.918 -3.344 4.622 1.00 61.03 N ATOM 368 NH2 ARG A 746 33.662 -4.628 5.527 1.00 45.84 N ATOM 0 H ARG A 746 27.110 -7.264 5.963 1.00 27.59 H new ATOM 0 HA ARG A 746 28.980 -9.049 6.050 1.00 27.38 H new ATOM 0 HB2 ARG A 746 29.120 -6.356 6.817 1.00 28.65 H new ATOM 0 HB3 ARG A 746 30.375 -7.281 6.820 1.00 28.65 H new ATOM 0 HG2 ARG A 746 30.199 -7.661 4.572 1.00 30.48 H new ATOM 0 HG3 ARG A 746 28.790 -6.993 4.518 1.00 30.48 H new ATOM 0 HD2 ARG A 746 30.246 -5.515 3.635 1.00 33.84 H new ATOM 0 HD3 ARG A 746 29.794 -4.928 5.007 1.00 33.84 H new ATOM 0 HE ARG A 746 31.997 -6.374 5.293 1.00 42.03 H new ATOM 0 HH11 ARG A 746 31.115 -3.295 4.318 1.00 61.03 H new ATOM 0 HH12 ARG A 746 32.412 -2.641 4.646 1.00 61.03 H new ATOM 0 HH21 ARG A 746 33.966 -5.386 5.796 1.00 45.84 H new ATOM 0 HH22 ARG A 746 34.163 -3.930 5.554 1.00 45.84 H new ATOM 369 N ILE A 747 27.830 -8.181 8.883 1.00 23.89 N ATOM 370 CA ILE A 747 27.725 -8.605 10.283 1.00 25.89 C ATOM 371 C ILE A 747 27.162 -10.031 10.405 1.00 26.67 C ATOM 372 O ILE A 747 27.633 -10.866 11.190 1.00 29.28 O ATOM 373 CB ILE A 747 26.870 -7.605 11.078 1.00 25.49 C ATOM 374 CG1 ILE A 747 27.624 -6.312 11.189 1.00 26.57 C ATOM 375 CG2 ILE A 747 26.537 -8.141 12.435 1.00 31.72 C ATOM 376 CD1 ILE A 747 28.727 -6.203 12.219 1.00 27.25 C ATOM 0 H ILE A 747 27.307 -7.533 8.667 1.00 23.89 H new ATOM 0 HA ILE A 747 28.619 -8.618 10.659 1.00 25.89 H new ATOM 0 HB ILE A 747 26.032 -7.457 10.613 1.00 25.49 H new ATOM 0 HG12 ILE A 747 28.012 -6.122 10.321 1.00 26.57 H new ATOM 0 HG13 ILE A 747 26.980 -5.610 11.372 1.00 26.57 H new ATOM 0 HG21 ILE A 747 25.998 -7.493 12.916 1.00 31.72 H new ATOM 0 HG22 ILE A 747 26.040 -8.969 12.343 1.00 31.72 H new ATOM 0 HG23 ILE A 747 27.356 -8.308 12.927 1.00 31.72 H new ATOM 0 HD11 ILE A 747 29.123 -5.318 12.177 1.00 27.25 H new ATOM 0 HD12 ILE A 747 28.359 -6.351 13.104 1.00 27.25 H new ATOM 0 HD13 ILE A 747 29.407 -6.870 12.037 1.00 27.25 H new ATOM 377 N LYS A 748 26.150 -10.305 9.619 1.00 28.65 N ATOM 378 CA LYS A 748 25.525 -11.647 9.627 1.00 31.10 C ATOM 379 C LYS A 748 26.581 -12.681 9.215 1.00 29.68 C ATOM 380 O LYS A 748 26.698 -13.689 9.843 1.00 34.52 O ATOM 381 CB LYS A 748 24.301 -11.677 8.719 1.00 35.56 C ATOM 382 CG LYS A 748 23.637 -13.054 8.668 1.00 45.00 C ATOM 383 CD LYS A 748 22.744 -13.263 7.444 1.00 58.02 C ATOM 384 CE LYS A 748 21.599 -12.257 7.361 1.00 66.52 C ATOM 385 NZ LYS A 748 20.738 -12.122 8.578 1.00 76.76 N ATOM 0 H LYS A 748 25.797 -9.746 9.069 1.00 28.65 H new ATOM 0 HA LYS A 748 25.210 -11.865 10.518 1.00 31.10 H new ATOM 0 HB2 LYS A 748 23.656 -11.023 9.030 1.00 35.56 H new ATOM 0 HB3 LYS A 748 24.562 -11.414 7.822 1.00 35.56 H new ATOM 0 HG2 LYS A 748 24.326 -13.737 8.676 1.00 45.00 H new ATOM 0 HG3 LYS A 748 23.106 -13.178 9.470 1.00 45.00 H new ATOM 0 HD2 LYS A 748 23.284 -13.197 6.641 1.00 58.02 H new ATOM 0 HD3 LYS A 748 22.378 -14.161 7.467 1.00 58.02 H new ATOM 0 HE2 LYS A 748 21.974 -11.386 7.157 1.00 66.52 H new ATOM 0 HE3 LYS A 748 21.032 -12.504 6.614 1.00 66.52 H new ATOM 0 HZ1 LYS A 748 20.105 -11.515 8.428 1.00 76.76 H new ATOM 0 HZ2 LYS A 748 20.359 -12.906 8.762 1.00 76.76 H new ATOM 0 HZ3 LYS A 748 21.237 -11.865 9.268 1.00 76.76 H new ATOM 386 N THR A 749 27.410 -12.367 8.229 1.00 32.19 N ATOM 387 CA THR A 749 28.476 -13.304 7.823 1.00 31.55 C ATOM 388 C THR A 749 29.471 -13.636 8.936 1.00 39.82 C ATOM 389 O THR A 749 29.886 -14.811 9.091 1.00 34.46 O ATOM 390 CB THR A 749 29.193 -12.756 6.596 1.00 34.74 C ATOM 391 OG1 THR A 749 28.247 -12.768 5.529 1.00 39.78 O ATOM 392 CG2 THR A 749 30.419 -13.591 6.219 1.00 36.34 C ATOM 0 H THR A 749 27.382 -11.632 7.783 1.00 32.19 H new ATOM 0 HA THR A 749 28.044 -14.146 7.609 1.00 31.55 H new ATOM 0 HB THR A 749 29.519 -11.861 6.781 1.00 34.74 H new ATOM 0 HG1 THR A 749 27.710 -12.129 5.623 1.00 39.78 H new ATOM 0 HG21 THR A 749 30.843 -13.208 5.435 1.00 36.34 H new ATOM 0 HG22 THR A 749 31.048 -13.595 6.958 1.00 36.34 H new ATOM 0 HG23 THR A 749 30.144 -14.501 6.025 1.00 36.34 H new ATOM 393 N ILE A 750 29.851 -12.625 9.724 1.00 38.84 N ATOM 394 CA ILE A 750 30.734 -12.797 10.892 1.00 39.98 C ATOM 395 C ILE A 750 30.157 -13.830 11.808 1.00 41.39 C ATOM 396 O ILE A 750 30.881 -14.747 12.185 1.00 46.29 O ATOM 397 CB ILE A 750 30.978 -11.535 11.774 1.00 46.83 C ATOM 398 CG1 ILE A 750 31.530 -10.335 11.005 1.00 50.95 C ATOM 399 CG2 ILE A 750 31.934 -11.845 12.933 1.00 48.92 C ATOM 400 CD1 ILE A 750 32.592 -10.662 10.011 1.00 51.93 C ATOM 0 H ILE A 750 29.603 -11.812 9.597 1.00 38.84 H new ATOM 0 HA ILE A 750 31.585 -13.040 10.495 1.00 39.98 H new ATOM 0 HB ILE A 750 30.099 -11.295 12.107 1.00 46.83 H new ATOM 0 HG12 ILE A 750 30.797 -9.898 10.544 1.00 50.95 H new ATOM 0 HG13 ILE A 750 31.887 -9.696 11.641 1.00 50.95 H new ATOM 0 HG21 ILE A 750 32.068 -11.045 13.465 1.00 48.92 H new ATOM 0 HG22 ILE A 750 31.553 -12.542 13.489 1.00 48.92 H new ATOM 0 HG23 ILE A 750 32.786 -12.144 12.579 1.00 48.92 H new ATOM 0 HD11 ILE A 750 32.885 -9.849 9.571 1.00 51.93 H new ATOM 0 HD12 ILE A 750 33.345 -11.073 10.465 1.00 51.93 H new ATOM 0 HD13 ILE A 750 32.238 -11.278 9.350 1.00 51.93 H new ATOM 401 N GLN A 751 28.879 -13.693 12.150 1.00 41.50 N ATOM 402 CA GLN A 751 28.219 -14.604 13.075 1.00 46.13 C ATOM 403 C GLN A 751 28.098 -16.023 12.528 1.00 46.95 C ATOM 404 O GLN A 751 28.158 -16.978 13.292 1.00 53.14 O ATOM 405 CB GLN A 751 26.813 -14.149 13.402 1.00 48.86 C ATOM 406 CG GLN A 751 26.729 -12.876 14.183 1.00 57.51 C ATOM 407 CD GLN A 751 25.297 -12.387 14.275 1.00 62.25 C ATOM 408 OE1 GLN A 751 24.359 -13.105 13.911 1.00 65.85 O ATOM 409 NE2 GLN A 751 25.124 -11.166 14.738 1.00 64.45 N ATOM 0 H GLN A 751 28.371 -13.067 11.851 1.00 41.50 H new ATOM 0 HA GLN A 751 28.783 -14.600 13.864 1.00 46.13 H new ATOM 0 HB2 GLN A 751 26.322 -14.038 12.573 1.00 48.86 H new ATOM 0 HB3 GLN A 751 26.368 -14.851 13.903 1.00 48.86 H new ATOM 0 HG2 GLN A 751 27.084 -13.016 15.075 1.00 57.51 H new ATOM 0 HG3 GLN A 751 27.279 -12.197 13.762 1.00 57.51 H new ATOM 0 HE21 GLN A 751 25.803 -10.698 14.981 1.00 64.45 H new ATOM 0 HE22 GLN A 751 24.332 -10.837 14.797 1.00 64.45 H new ATOM 410 N GLU A 752 27.870 -16.134 11.221 1.00 44.99 N ATOM 411 CA GLU A 752 27.754 -17.425 10.530 1.00 46.29 C ATOM 412 C GLU A 752 29.092 -18.169 10.423 1.00 44.55 C ATOM 413 O GLU A 752 29.172 -19.390 10.621 1.00 49.98 O ATOM 414 CB GLU A 752 27.157 -17.223 9.139 1.00 46.11 C ATOM 415 CG GLU A 752 25.688 -16.896 9.217 1.00 47.88 C ATOM 416 CD GLU A 752 25.085 -16.592 7.855 1.00 58.82 C ATOM 417 OE1 GLU A 752 25.850 -16.485 6.857 1.00 54.81 O ATOM 418 OE2 GLU A 752 23.831 -16.448 7.802 1.00 62.79 O ATOM 0 H GLU A 752 27.777 -15.455 10.701 1.00 44.99 H new ATOM 0 HA GLU A 752 27.165 -17.979 11.066 1.00 46.29 H new ATOM 0 HB2 GLU A 752 27.626 -16.506 8.684 1.00 46.11 H new ATOM 0 HB3 GLU A 752 27.284 -18.026 8.610 1.00 46.11 H new ATOM 0 HG2 GLU A 752 25.215 -17.642 9.618 1.00 47.88 H new ATOM 0 HG3 GLU A 752 25.560 -16.132 9.801 1.00 47.88 H new ATOM 419 N ARG A 753 30.148 -17.441 10.135 1.00 41.79 N ATOM 420 CA ARG A 753 31.475 -18.028 10.158 1.00 44.42 C ATOM 421 C ARG A 753 31.883 -18.501 11.528 1.00 50.26 C ATOM 422 O ARG A 753 32.587 -19.505 11.583 1.00 61.68 O ATOM 423 CB ARG A 753 32.543 -17.117 9.588 1.00 44.43 C ATOM 424 CG ARG A 753 32.395 -16.994 8.068 1.00 53.53 C ATOM 425 CD ARG A 753 33.371 -16.009 7.399 1.00 57.32 C ATOM 426 NE ARG A 753 33.423 -16.279 5.964 1.00 57.27 N ATOM 427 CZ ARG A 753 33.762 -15.410 5.022 1.00 64.75 C ATOM 428 NH1 ARG A 753 34.119 -14.152 5.312 1.00 64.75 N ATOM 429 NH2 ARG A 753 33.746 -15.815 3.757 1.00 67.75 N ATOM 0 H ARG A 753 30.123 -16.608 9.924 1.00 41.79 H new ATOM 0 HA ARG A 753 31.406 -18.803 9.578 1.00 44.42 H new ATOM 0 HB2 ARG A 753 32.478 -16.239 9.996 1.00 44.43 H new ATOM 0 HB3 ARG A 753 33.422 -17.466 9.805 1.00 44.43 H new ATOM 0 HG2 ARG A 753 32.519 -17.871 7.672 1.00 53.53 H new ATOM 0 HG3 ARG A 753 31.488 -16.717 7.866 1.00 53.53 H new ATOM 0 HD2 ARG A 753 33.084 -15.096 7.557 1.00 57.32 H new ATOM 0 HD3 ARG A 753 34.255 -16.099 7.788 1.00 57.32 H new ATOM 0 HE ARG A 753 33.215 -17.073 5.707 1.00 57.27 H new ATOM 0 HH11 ARG A 753 34.133 -13.887 6.130 1.00 64.75 H new ATOM 0 HH12 ARG A 753 34.334 -13.610 4.680 1.00 64.75 H new ATOM 0 HH21 ARG A 753 33.520 -16.623 3.567 1.00 67.75 H new ATOM 0 HH22 ARG A 753 33.962 -15.270 3.128 1.00 67.75 H new ATOM 430 N CYS A 754 31.440 -17.842 12.614 1.00 39.51 N ATOM 431 CA ACYS A 754 31.863 -18.189 13.978 0.55 39.90 C ATOM 432 CA BCYS A 754 31.903 -18.142 13.983 0.45 36.69 C ATOM 433 C CYS A 754 30.691 -18.132 14.924 1.00 37.71 C ATOM 434 O CYS A 754 30.513 -17.173 15.672 1.00 33.52 O ATOM 435 CB ACYS A 754 32.978 -17.284 14.449 0.55 43.12 C ATOM 436 CB BCYS A 754 32.962 -17.096 14.409 0.45 36.20 C ATOM 437 SG ACYS A 754 34.510 -17.767 13.656 0.55 51.30 S ATOM 438 SG BCYS A 754 33.899 -17.328 15.959 0.45 33.22 S ATOM 0 H ACYS A 754 30.888 -17.184 12.577 0.55 39.51 H new ATOM 0 H BCYS A 754 30.861 -17.207 12.576 0.45 39.51 H new ATOM 0 HA ACYS A 754 32.204 -19.097 13.966 0.55 36.69 H new ATOM 0 HA BCYS A 754 32.318 -19.018 14.022 0.45 36.69 H new ATOM 0 HB2ACYS A 754 32.770 -16.360 14.238 0.55 36.20 H new ATOM 0 HB2BCYS A 754 33.608 -17.029 13.688 0.45 36.20 H new ATOM 0 HB3ACYS A 754 33.069 -17.341 15.413 0.55 36.20 H new ATOM 0 HB3BCYS A 754 32.513 -16.238 14.468 0.45 36.20 H new ATOM 0 HG BCYS A 754 34.326 -18.449 16.005 0.45 33.22 H new ATOM 439 N PRO A 755 29.844 -19.200 14.898 1.00 34.85 N ATOM 440 CA PRO A 755 28.612 -19.194 15.682 1.00 35.71 C ATOM 441 C PRO A 755 28.821 -18.952 17.186 1.00 35.16 C ATOM 442 O PRO A 755 27.941 -18.347 17.859 1.00 35.23 O ATOM 443 CB PRO A 755 28.005 -20.607 15.433 1.00 39.15 C ATOM 444 CG PRO A 755 28.632 -21.064 14.127 1.00 36.12 C ATOM 445 CD PRO A 755 30.009 -20.459 14.104 1.00 37.49 C ATOM 0 HA PRO A 755 28.038 -18.461 15.408 1.00 35.71 H new ATOM 0 HB2 PRO A 755 28.216 -21.215 16.158 1.00 39.15 H new ATOM 0 HB3 PRO A 755 27.038 -20.570 15.367 1.00 39.15 H new ATOM 0 HG2 PRO A 755 28.676 -22.032 14.081 1.00 36.12 H new ATOM 0 HG3 PRO A 755 28.108 -20.767 13.366 1.00 36.12 H new ATOM 0 HD2 PRO A 755 30.667 -21.050 14.503 1.00 37.49 H new ATOM 0 HD3 PRO A 755 30.304 -20.275 13.199 1.00 37.49 H new ATOM 446 N GLU A 756 29.983 -19.365 17.677 1.00 31.63 N ATOM 447 CA GLU A 756 30.336 -19.235 19.086 1.00 34.29 C ATOM 448 C GLU A 756 30.557 -17.786 19.515 1.00 33.41 C ATOM 449 O GLU A 756 30.518 -17.479 20.728 1.00 31.30 O ATOM 450 CB GLU A 756 31.560 -20.097 19.443 1.00 37.13 C ATOM 451 CG GLU A 756 32.882 -19.654 18.861 1.00 48.75 C ATOM 452 CD GLU A 756 33.179 -20.135 17.411 1.00 56.37 C ATOM 453 OE1 GLU A 756 32.262 -20.522 16.595 1.00 52.26 O ATOM 454 OE2 GLU A 756 34.386 -20.098 17.059 1.00 65.83 O ATOM 0 H GLU A 756 30.595 -19.732 17.197 1.00 31.63 H new ATOM 0 HA GLU A 756 29.571 -19.563 19.583 1.00 34.29 H new ATOM 0 HB2 GLU A 756 31.645 -20.120 20.409 1.00 37.13 H new ATOM 0 HB3 GLU A 756 31.388 -21.006 19.151 1.00 37.13 H new ATOM 0 HG2 GLU A 756 32.914 -18.685 18.875 1.00 48.75 H new ATOM 0 HG3 GLU A 756 33.593 -19.969 19.440 1.00 48.75 H new ATOM 455 N SER A 757 30.735 -16.899 18.506 1.00 32.41 N ATOM 456 CA SER A 757 30.824 -15.454 18.705 1.00 31.26 C ATOM 457 C SER A 757 29.537 -14.886 19.326 1.00 33.15 C ATOM 458 O SER A 757 29.589 -13.824 19.898 1.00 30.63 O ATOM 459 CB SER A 757 31.158 -14.753 17.347 1.00 31.76 C ATOM 460 OG SER A 757 29.981 -14.708 16.521 1.00 34.97 O ATOM 0 H SER A 757 30.807 -17.136 17.682 1.00 32.41 H new ATOM 0 HA SER A 757 31.541 -15.275 19.334 1.00 31.26 H new ATOM 0 HB2 SER A 757 31.485 -13.854 17.509 1.00 31.76 H new ATOM 0 HB3 SER A 757 31.866 -15.234 16.890 1.00 31.76 H new ATOM 0 HG SER A 757 29.904 -15.432 16.102 1.00 34.97 H new ATOM 461 N GLN A 758 28.417 -15.620 19.312 1.00 28.18 N ATOM 462 CA GLN A 758 27.212 -15.213 19.974 1.00 31.28 C ATOM 463 C GLN A 758 27.044 -15.682 21.393 1.00 25.64 C ATOM 464 O GLN A 758 26.056 -15.263 22.022 1.00 24.83 O ATOM 465 CB GLN A 758 25.948 -15.628 19.196 1.00 35.57 C ATOM 466 CG GLN A 758 25.873 -15.074 17.780 1.00 43.80 C ATOM 467 CD GLN A 758 24.948 -15.954 16.964 1.00 57.21 C ATOM 468 OE1 GLN A 758 25.344 -17.058 16.502 1.00 69.37 O ATOM 469 NE2 GLN A 758 23.694 -15.552 16.881 1.00 55.37 N ATOM 0 H GLN A 758 28.353 -16.376 18.907 1.00 28.18 H new ATOM 0 HA GLN A 758 27.314 -14.249 20.000 1.00 31.28 H new ATOM 0 HB2 GLN A 758 25.909 -16.596 19.155 1.00 35.57 H new ATOM 0 HB3 GLN A 758 25.166 -15.333 19.689 1.00 35.57 H new ATOM 0 HG2 GLN A 758 25.545 -14.161 17.793 1.00 43.80 H new ATOM 0 HG3 GLN A 758 26.756 -15.052 17.380 1.00 43.80 H new ATOM 0 HE21 GLN A 758 23.464 -14.791 17.209 1.00 55.37 H new ATOM 0 HE22 GLN A 758 23.107 -16.051 16.499 1.00 55.37 H new ATOM 470 N SER A 759 27.965 -16.498 21.915 1.00 24.31 N ATOM 471 CA SER A 759 27.927 -16.818 23.338 1.00 24.02 C ATOM 472 C SER A 759 28.211 -15.566 24.154 1.00 27.28 C ATOM 473 O SER A 759 28.915 -14.622 23.675 1.00 25.72 O ATOM 474 CB SER A 759 28.943 -17.911 23.725 1.00 24.86 C ATOM 475 OG SER A 759 28.646 -19.087 23.016 1.00 24.04 O ATOM 0 H SER A 759 28.603 -16.867 21.472 1.00 24.31 H new ATOM 0 HA SER A 759 27.039 -17.158 23.529 1.00 24.02 H new ATOM 0 HB2 SER A 759 29.845 -17.617 23.522 1.00 24.86 H new ATOM 0 HB3 SER A 759 28.907 -18.078 24.680 1.00 24.86 H new ATOM 0 HG SER A 759 29.226 -19.671 23.186 1.00 24.04 H new ATOM 476 N GLY A 760 27.721 -15.557 25.378 1.00 24.33 N ATOM 477 CA GLY A 760 27.768 -14.297 26.174 1.00 26.85 C ATOM 478 C GLY A 760 29.184 -13.860 26.520 1.00 29.16 C ATOM 479 O GLY A 760 30.088 -14.722 26.751 1.00 26.19 O ATOM 0 H GLY A 760 27.365 -16.232 25.774 1.00 24.33 H new ATOM 0 HA2 GLY A 760 27.330 -13.590 25.675 1.00 26.85 H new ATOM 0 HA3 GLY A 760 27.264 -14.420 26.994 1.00 26.85 H new ATOM 480 N HIS A 761 29.401 -12.528 26.544 1.00 24.13 N ATOM 481 CA HIS A 761 30.645 -11.926 26.882 1.00 24.93 C ATOM 482 C HIS A 761 30.486 -10.938 28.010 1.00 24.59 C ATOM 483 O HIS A 761 29.423 -10.392 28.239 1.00 23.90 O ATOM 484 CB HIS A 761 31.231 -11.184 25.686 1.00 26.04 C ATOM 485 CG HIS A 761 31.528 -12.044 24.510 1.00 27.12 C ATOM 486 ND1 HIS A 761 30.575 -12.373 23.585 1.00 28.07 N ATOM 487 CD2 HIS A 761 32.689 -12.547 24.041 1.00 34.20 C ATOM 488 CE1 HIS A 761 31.118 -13.078 22.617 1.00 31.56 C ATOM 489 NE2 HIS A 761 32.402 -13.193 22.865 1.00 34.84 N ATOM 0 H HIS A 761 28.789 -11.955 26.353 1.00 24.13 H new ATOM 0 HA HIS A 761 31.239 -12.643 27.155 1.00 24.93 H new ATOM 0 HB2 HIS A 761 30.610 -10.489 25.415 1.00 26.04 H new ATOM 0 HB3 HIS A 761 32.049 -10.742 25.963 1.00 26.04 H new ATOM 0 HD1 HIS A 761 29.745 -12.152 23.630 1.00 28.07 H new ATOM 0 HD2 HIS A 761 33.526 -12.470 24.440 1.00 34.20 H new ATOM 0 HE1 HIS A 761 30.670 -13.434 21.884 1.00 31.56 H new ATOM 490 N GLN A 762 31.595 -10.669 28.711 1.00 25.35 N ATOM 491 CA GLN A 762 31.623 -9.627 29.720 1.00 26.01 C ATOM 492 C GLN A 762 31.935 -8.292 29.028 1.00 21.67 C ATOM 493 O GLN A 762 32.837 -8.239 28.232 1.00 21.90 O ATOM 494 CB GLN A 762 32.750 -9.880 30.721 1.00 29.97 C ATOM 495 CG GLN A 762 32.525 -11.192 31.513 1.00 35.44 C ATOM 496 CD GLN A 762 31.266 -11.124 32.354 1.00 41.16 C ATOM 497 OE1 GLN A 762 30.230 -11.776 32.070 1.00 47.32 O ATOM 498 NE2 GLN A 762 31.314 -10.302 33.368 1.00 44.49 N ATOM 0 H GLN A 762 32.340 -11.086 28.610 1.00 25.35 H new ATOM 0 HA GLN A 762 30.767 -9.614 30.176 1.00 26.01 H new ATOM 0 HB2 GLN A 762 33.597 -9.926 30.251 1.00 29.97 H new ATOM 0 HB3 GLN A 762 32.809 -9.134 31.339 1.00 29.97 H new ATOM 0 HG2 GLN A 762 32.463 -11.938 30.896 1.00 35.44 H new ATOM 0 HG3 GLN A 762 33.289 -11.361 32.086 1.00 35.44 H new ATOM 0 HE21 GLN A 762 32.038 -9.870 33.537 1.00 44.49 H new ATOM 0 HE22 GLN A 762 30.622 -10.193 33.866 1.00 44.49 H new ATOM 499 N GLU A 763 31.223 -7.269 29.417 1.00 24.12 N ATOM 500 CA GLU A 763 31.479 -5.927 28.836 1.00 25.13 C ATOM 501 C GLU A 763 32.901 -5.491 28.979 1.00 24.06 C ATOM 502 O GLU A 763 33.512 -4.917 28.074 1.00 22.19 O ATOM 503 CB GLU A 763 30.540 -4.898 29.489 1.00 27.36 C ATOM 504 CG GLU A 763 30.741 -3.510 28.861 1.00 25.38 C ATOM 505 CD GLU A 763 29.820 -2.407 29.350 1.00 28.25 C ATOM 506 OE1 GLU A 763 28.636 -2.520 29.388 1.00 32.90 O ATOM 507 OE2 GLU A 763 30.332 -1.356 29.703 1.00 30.10 O ATOM 0 H GLU A 763 30.594 -7.302 30.002 1.00 24.12 H new ATOM 0 HA GLU A 763 31.303 -5.986 27.884 1.00 25.13 H new ATOM 0 HB2 GLU A 763 29.618 -5.178 29.379 1.00 27.36 H new ATOM 0 HB3 GLU A 763 30.712 -4.855 30.443 1.00 27.36 H new ATOM 0 HG2 GLU A 763 31.657 -3.234 29.021 1.00 25.38 H new ATOM 0 HG3 GLU A 763 30.633 -3.593 27.901 1.00 25.38 H new ATOM 508 N SER A 764 33.494 -5.778 30.156 1.00 26.84 N ATOM 509 CA SER A 764 34.860 -5.328 30.426 1.00 25.91 C ATOM 510 C SER A 764 35.859 -5.932 29.439 1.00 24.47 C ATOM 511 O SER A 764 36.765 -5.223 28.998 1.00 26.31 O ATOM 512 CB SER A 764 35.211 -5.616 31.923 1.00 32.87 C ATOM 513 OG SER A 764 35.067 -7.022 32.217 1.00 35.52 O ATOM 0 H SER A 764 33.125 -6.223 30.793 1.00 26.84 H new ATOM 0 HA SER A 764 34.920 -4.370 30.289 1.00 25.91 H new ATOM 0 HB2 SER A 764 36.120 -5.333 32.107 1.00 32.87 H new ATOM 0 HB3 SER A 764 34.630 -5.098 32.502 1.00 32.87 H new ATOM 0 HG SER A 764 34.261 -7.193 32.383 1.00 35.52 H new ATOM 514 N GLU A 765 35.666 -7.200 29.029 1.00 23.36 N ATOM 515 CA GLU A 765 36.494 -7.842 28.044 1.00 25.17 C ATOM 516 C GLU A 765 36.274 -7.231 26.649 1.00 21.26 C ATOM 517 O GLU A 765 37.246 -6.900 25.953 1.00 23.03 O ATOM 518 CB GLU A 765 36.231 -9.371 27.978 1.00 26.78 C ATOM 519 CG GLU A 765 37.032 -10.077 26.850 1.00 29.86 C ATOM 520 CD GLU A 765 36.342 -10.227 25.483 1.00 33.28 C ATOM 521 OE1 GLU A 765 35.102 -10.451 25.425 1.00 34.57 O ATOM 522 OE2 GLU A 765 37.076 -10.140 24.454 1.00 34.93 O ATOM 0 H GLU A 765 35.036 -7.702 29.331 1.00 23.36 H new ATOM 0 HA GLU A 765 37.413 -7.696 28.317 1.00 25.17 H new ATOM 0 HB2 GLU A 765 36.462 -9.771 28.831 1.00 26.78 H new ATOM 0 HB3 GLU A 765 35.283 -9.525 27.840 1.00 26.78 H new ATOM 0 HG2 GLU A 765 37.859 -9.587 26.717 1.00 29.86 H new ATOM 0 HG3 GLU A 765 37.274 -10.963 27.163 1.00 29.86 H new ATOM 523 N VAL A 766 34.998 -6.999 26.306 1.00 20.06 N ATOM 524 CA VAL A 766 34.672 -6.372 25.004 1.00 21.19 C ATOM 525 C VAL A 766 35.362 -5.022 24.850 1.00 19.15 C ATOM 526 O VAL A 766 35.895 -4.722 23.802 1.00 19.74 O ATOM 527 CB VAL A 766 33.142 -6.268 24.825 1.00 23.09 C ATOM 528 CG1 VAL A 766 32.767 -5.397 23.618 1.00 22.31 C ATOM 529 CG2 VAL A 766 32.583 -7.677 24.675 1.00 26.65 C ATOM 0 H VAL A 766 34.318 -7.190 26.797 1.00 20.06 H new ATOM 0 HA VAL A 766 35.013 -6.940 24.295 1.00 21.19 H new ATOM 0 HB VAL A 766 32.757 -5.837 25.604 1.00 23.09 H new ATOM 0 HG11 VAL A 766 31.801 -5.355 23.537 1.00 22.31 H new ATOM 0 HG12 VAL A 766 33.120 -4.502 23.742 1.00 22.31 H new ATOM 0 HG13 VAL A 766 33.142 -5.783 22.811 1.00 22.31 H new ATOM 0 HG21 VAL A 766 31.621 -7.633 24.561 1.00 26.65 H new ATOM 0 HG22 VAL A 766 32.981 -8.102 23.899 1.00 26.65 H new ATOM 0 HG23 VAL A 766 32.791 -8.194 25.469 1.00 26.65 H new ATOM 530 N LEU A 767 35.297 -4.203 25.879 1.00 19.48 N ATOM 531 CA LEU A 767 35.836 -2.854 25.808 1.00 20.75 C ATOM 532 C LEU A 767 37.330 -2.805 25.562 1.00 24.24 C ATOM 533 O LEU A 767 37.833 -1.907 24.891 1.00 22.32 O ATOM 534 CB LEU A 767 35.421 -1.994 26.994 1.00 22.18 C ATOM 535 CG LEU A 767 33.944 -1.739 27.234 1.00 26.82 C ATOM 536 CD1 LEU A 767 33.711 -0.880 28.473 1.00 30.61 C ATOM 537 CD2 LEU A 767 33.268 -1.097 26.030 1.00 23.91 C ATOM 0 H LEU A 767 34.943 -4.407 26.636 1.00 19.48 H new ATOM 0 HA LEU A 767 35.429 -2.462 25.019 1.00 20.75 H new ATOM 0 HB2 LEU A 767 35.782 -2.405 27.795 1.00 22.18 H new ATOM 0 HB3 LEU A 767 35.856 -1.132 26.898 1.00 22.18 H new ATOM 0 HG LEU A 767 33.543 -2.610 27.380 1.00 26.82 H new ATOM 0 HD11 LEU A 767 32.759 -0.738 28.594 1.00 30.61 H new ATOM 0 HD12 LEU A 767 34.072 -1.331 29.252 1.00 30.61 H new ATOM 0 HD13 LEU A 767 34.153 -0.024 28.361 1.00 30.61 H new ATOM 0 HD21 LEU A 767 32.329 -0.952 26.225 1.00 23.91 H new ATOM 0 HD22 LEU A 767 33.693 -0.247 25.835 1.00 23.91 H new ATOM 0 HD23 LEU A 767 33.351 -1.683 25.261 1.00 23.91 H new ATOM 538 N MET A 768 38.089 -3.781 26.142 1.00 23.28 N ATOM 539 CA MET A 768 39.520 -3.855 25.913 1.00 24.20 C ATOM 540 C MET A 768 39.976 -4.425 24.606 1.00 24.72 C ATOM 541 O MET A 768 41.177 -4.324 24.280 1.00 24.18 O ATOM 542 CB MET A 768 40.135 -4.681 27.037 1.00 27.41 C ATOM 543 CG MET A 768 40.048 -3.931 28.344 1.00 36.93 C ATOM 544 SD MET A 768 40.629 -2.194 28.355 1.00 58.34 S ATOM 545 CE MET A 768 42.303 -2.291 27.724 1.00 47.25 C ATOM 0 H MET A 768 37.777 -4.391 26.661 1.00 23.28 H new ATOM 0 HA MET A 768 39.815 -2.931 25.890 1.00 24.20 H new ATOM 0 HB2 MET A 768 39.673 -5.531 27.113 1.00 27.41 H new ATOM 0 HB3 MET A 768 41.062 -4.879 26.831 1.00 27.41 H new ATOM 0 HG2 MET A 768 39.123 -3.940 28.634 1.00 36.93 H new ATOM 0 HG3 MET A 768 40.558 -4.422 29.007 1.00 36.93 H new ATOM 0 HE1 MET A 768 42.657 -1.396 27.607 1.00 47.25 H new ATOM 0 HE2 MET A 768 42.858 -2.778 28.353 1.00 47.25 H new ATOM 0 HE3 MET A 768 42.301 -2.752 26.870 1.00 47.25 H new ATOM 546 N ARG A 769 39.061 -4.863 23.761 1.00 20.40 N ATOM 547 CA ARG A 769 39.450 -5.390 22.459 1.00 22.05 C ATOM 548 C ARG A 769 40.042 -4.314 21.593 1.00 25.06 C ATOM 549 O ARG A 769 39.496 -3.224 21.486 1.00 20.64 O ATOM 550 CB ARG A 769 38.297 -6.044 21.753 1.00 22.96 C ATOM 551 CG ARG A 769 37.777 -7.260 22.454 1.00 26.09 C ATOM 552 CD ARG A 769 36.642 -7.759 21.616 1.00 28.01 C ATOM 553 NE ARG A 769 35.910 -8.755 22.335 1.00 31.30 N ATOM 554 CZ ARG A 769 34.749 -9.255 21.942 1.00 30.15 C ATOM 555 NH1 ARG A 769 34.147 -8.807 20.837 1.00 34.14 N ATOM 556 NH2 ARG A 769 34.179 -10.163 22.678 1.00 34.02 N ATOM 0 H ARG A 769 38.215 -4.866 23.916 1.00 20.40 H new ATOM 0 HA ARG A 769 40.126 -6.067 22.620 1.00 22.05 H new ATOM 0 HB2 ARG A 769 37.577 -5.401 21.661 1.00 22.96 H new ATOM 0 HB3 ARG A 769 38.574 -6.290 20.857 1.00 22.96 H new ATOM 0 HG2 ARG A 769 38.469 -7.934 22.540 1.00 26.09 H new ATOM 0 HG3 ARG A 769 37.478 -7.044 23.351 1.00 26.09 H new ATOM 0 HD2 ARG A 769 36.056 -7.023 21.379 1.00 28.01 H new ATOM 0 HD3 ARG A 769 36.981 -8.130 20.786 1.00 28.01 H new ATOM 0 HE ARG A 769 36.246 -9.048 23.070 1.00 31.30 H new ATOM 0 HH11 ARG A 769 34.514 -8.185 20.370 1.00 34.14 H new ATOM 0 HH12 ARG A 769 33.393 -9.141 20.593 1.00 34.14 H new ATOM 0 HH21 ARG A 769 34.556 -10.427 23.404 1.00 34.02 H new ATOM 0 HH22 ARG A 769 33.425 -10.499 22.439 1.00 34.02 H new ATOM 557 N GLN A 770 41.120 -4.656 20.921 1.00 21.14 N ATOM 558 CA GLN A 770 41.665 -3.799 19.919 1.00 22.64 C ATOM 559 C GLN A 770 40.728 -3.695 18.693 1.00 21.13 C ATOM 560 O GLN A 770 40.038 -4.668 18.313 1.00 21.52 O ATOM 561 CB GLN A 770 43.053 -4.335 19.497 1.00 24.21 C ATOM 562 CG GLN A 770 43.977 -4.254 20.712 1.00 29.58 C ATOM 563 CD GLN A 770 45.345 -4.826 20.409 1.00 36.28 C ATOM 564 OE1 GLN A 770 45.672 -5.145 19.264 1.00 45.30 O ATOM 565 NE2 GLN A 770 46.109 -5.025 21.441 1.00 42.46 N ATOM 0 H GLN A 770 41.550 -5.391 21.038 1.00 21.14 H new ATOM 0 HA GLN A 770 41.757 -2.906 20.287 1.00 22.64 H new ATOM 0 HB2 GLN A 770 42.983 -5.251 19.184 1.00 24.21 H new ATOM 0 HB3 GLN A 770 43.410 -3.811 18.763 1.00 24.21 H new ATOM 0 HG2 GLN A 770 44.066 -3.329 20.991 1.00 29.58 H new ATOM 0 HG3 GLN A 770 43.580 -4.737 21.454 1.00 29.58 H new ATOM 0 HE21 GLN A 770 45.844 -4.788 22.224 1.00 42.46 H new ATOM 0 HE22 GLN A 770 46.879 -5.394 21.341 1.00 42.46 H new ATOM 566 N MET A 771 40.764 -2.528 18.076 1.00 21.10 N ATOM 567 CA MET A 771 39.957 -2.278 16.924 1.00 22.55 C ATOM 568 C MET A 771 40.502 -2.925 15.617 1.00 21.94 C ATOM 569 O MET A 771 40.794 -2.249 14.660 1.00 22.35 O ATOM 570 CB MET A 771 39.706 -0.793 16.735 1.00 22.79 C ATOM 571 CG MET A 771 38.841 -0.230 17.772 1.00 27.32 C ATOM 572 SD MET A 771 37.067 -0.593 17.417 1.00 26.68 S ATOM 573 CE MET A 771 36.648 1.100 16.929 1.00 27.86 C ATOM 0 H MET A 771 41.258 -1.867 18.319 1.00 21.10 H new ATOM 0 HA MET A 771 39.110 -2.716 17.102 1.00 22.55 H new ATOM 0 HB2 MET A 771 40.554 -0.323 16.736 1.00 22.79 H new ATOM 0 HB3 MET A 771 39.301 -0.645 15.866 1.00 22.79 H new ATOM 0 HG2 MET A 771 39.084 -0.598 18.636 1.00 27.32 H new ATOM 0 HG3 MET A 771 38.975 0.729 17.824 1.00 27.32 H new ATOM 0 HE1 MET A 771 35.737 1.125 16.598 1.00 27.86 H new ATOM 0 HE2 MET A 771 36.729 1.688 17.696 1.00 27.86 H new ATOM 0 HE3 MET A 771 37.254 1.395 16.231 1.00 27.86 H new ATOM 574 N LEU A 772 40.596 -4.265 15.605 1.00 22.74 N ATOM 575 CA LEU A 772 40.873 -4.983 14.398 1.00 24.21 C ATOM 576 C LEU A 772 39.642 -4.883 13.478 1.00 23.61 C ATOM 577 O LEU A 772 38.544 -4.459 13.965 1.00 23.28 O ATOM 578 CB LEU A 772 41.130 -6.443 14.761 1.00 27.10 C ATOM 579 CG LEU A 772 42.407 -6.728 15.571 1.00 35.43 C ATOM 580 CD1 LEU A 772 42.490 -8.228 15.872 1.00 37.41 C ATOM 581 CD2 LEU A 772 43.601 -6.307 14.758 1.00 36.31 C ATOM 0 H LEU A 772 40.499 -4.761 16.301 1.00 22.74 H new ATOM 0 HA LEU A 772 41.648 -4.616 13.944 1.00 24.21 H new ATOM 0 HB2 LEU A 772 40.369 -6.770 15.266 1.00 27.10 H new ATOM 0 HB3 LEU A 772 41.168 -6.959 13.940 1.00 27.10 H new ATOM 0 HG LEU A 772 42.390 -6.235 16.406 1.00 35.43 H new ATOM 0 HD11 LEU A 772 43.294 -8.412 16.383 1.00 37.41 H new ATOM 0 HD12 LEU A 772 41.713 -8.499 16.385 1.00 37.41 H new ATOM 0 HD13 LEU A 772 42.516 -8.724 15.039 1.00 37.41 H new ATOM 0 HD21 LEU A 772 44.412 -6.482 15.260 1.00 36.31 H new ATOM 0 HD22 LEU A 772 43.620 -6.808 13.928 1.00 36.31 H new ATOM 0 HD23 LEU A 772 43.541 -5.359 14.562 1.00 36.31 H new ATOM 582 N PRO A 773 39.758 -5.301 12.198 1.00 25.74 N ATOM 583 CA PRO A 773 38.679 -5.158 11.227 1.00 24.14 C ATOM 584 C PRO A 773 37.276 -5.612 11.652 1.00 26.04 C ATOM 585 O PRO A 773 36.294 -4.893 11.395 1.00 25.37 O ATOM 586 CB PRO A 773 39.201 -5.968 10.023 1.00 24.52 C ATOM 587 CG PRO A 773 40.639 -5.803 10.065 1.00 26.26 C ATOM 588 CD PRO A 773 41.008 -5.745 11.512 1.00 27.17 C ATOM 0 HA PRO A 773 38.511 -4.217 11.061 1.00 24.14 H new ATOM 0 HB2 PRO A 773 38.951 -6.903 10.092 1.00 24.52 H new ATOM 0 HB3 PRO A 773 38.832 -5.637 9.189 1.00 24.52 H new ATOM 0 HG2 PRO A 773 41.086 -6.542 9.623 1.00 26.26 H new ATOM 0 HG3 PRO A 773 40.909 -4.992 9.606 1.00 26.26 H new ATOM 0 HD2 PRO A 773 41.301 -6.611 11.837 1.00 27.17 H new ATOM 0 HD3 PRO A 773 41.736 -5.123 11.666 1.00 27.17 H new ATOM 589 N GLU A 774 37.163 -6.731 12.344 1.00 25.91 N ATOM 590 CA AGLU A 774 35.890 -7.211 12.891 0.49 27.32 C ATOM 591 CA BGLU A 774 35.847 -7.156 12.816 0.51 27.77 C ATOM 592 C GLU A 774 35.247 -6.260 13.912 1.00 24.81 C ATOM 593 O GLU A 774 34.027 -5.970 13.863 1.00 22.81 O ATOM 594 CB AGLU A 774 36.080 -8.580 13.567 0.49 27.77 C ATOM 595 CB BGLU A 774 35.825 -8.657 13.175 0.51 28.83 C ATOM 596 CG AGLU A 774 34.790 -9.251 13.968 0.49 29.57 C ATOM 597 CG BGLU A 774 36.048 -9.466 11.905 0.51 31.23 C ATOM 598 CD AGLU A 774 34.984 -10.699 14.392 0.49 35.78 C ATOM 599 CD BGLU A 774 35.661 -10.930 11.993 0.51 35.39 C ATOM 600 OE1AGLU A 774 35.852 -11.373 13.808 0.49 38.24 O ATOM 601 OE1BGLU A 774 35.348 -11.434 13.080 0.51 40.20 O ATOM 602 OE2AGLU A 774 34.268 -11.142 15.316 0.49 39.11 O ATOM 603 OE2BGLU A 774 35.631 -11.549 10.911 0.51 36.18 O ATOM 0 H AGLU A 774 37.829 -7.247 12.516 0.49 25.91 H new ATOM 0 H BGLU A 774 37.815 -7.252 12.550 0.51 25.91 H new ATOM 0 HA AGLU A 774 35.293 -7.270 12.129 0.49 27.77 H new ATOM 0 HA BGLU A 774 35.247 -7.036 12.063 0.51 27.77 H new ATOM 0 HB2AGLU A 774 36.563 -9.165 12.962 0.49 28.83 H new ATOM 0 HB2BGLU A 774 36.515 -8.857 13.827 0.51 28.83 H new ATOM 0 HB3AGLU A 774 36.634 -8.467 14.355 0.49 28.83 H new ATOM 0 HB3BGLU A 774 34.976 -8.894 13.580 0.51 28.83 H new ATOM 0 HG2AGLU A 774 34.387 -8.756 14.698 0.49 31.23 H new ATOM 0 HG2BGLU A 774 35.543 -9.056 11.185 0.51 31.23 H new ATOM 0 HG3AGLU A 774 34.168 -9.217 13.224 0.49 31.23 H new ATOM 0 HG3BGLU A 774 36.986 -9.408 11.663 0.51 31.23 H new ATOM 604 N GLU A 775 36.067 -5.777 14.841 1.00 23.41 N ATOM 605 CA AGLU A 775 35.583 -4.867 15.859 0.55 23.94 C ATOM 606 CA BGLU A 775 35.605 -4.846 15.865 0.45 22.71 C ATOM 607 C GLU A 775 35.262 -3.483 15.265 1.00 20.80 C ATOM 608 O GLU A 775 34.275 -2.857 15.670 1.00 20.00 O ATOM 609 CB AGLU A 775 36.586 -4.727 16.999 0.55 27.47 C ATOM 610 CB BGLU A 775 36.636 -4.651 16.978 0.45 24.08 C ATOM 611 CG AGLU A 775 36.982 -6.034 17.688 0.55 31.95 C ATOM 612 CG BGLU A 775 36.558 -5.720 18.058 0.45 25.47 C ATOM 613 CD AGLU A 775 35.807 -6.885 18.147 0.55 33.24 C ATOM 614 CD BGLU A 775 37.136 -7.059 17.559 0.45 28.36 C ATOM 615 OE1AGLU A 775 34.996 -6.362 18.897 0.55 34.62 O ATOM 616 OE1BGLU A 775 37.960 -7.050 16.589 0.45 30.06 O ATOM 617 OE2AGLU A 775 35.704 -8.070 17.765 0.55 35.10 O ATOM 618 OE2BGLU A 775 36.730 -8.108 18.113 0.45 30.35 O ATOM 0 H AGLU A 775 36.904 -5.966 14.895 0.55 23.41 H new ATOM 0 H BGLU A 775 36.901 -5.978 14.895 0.45 23.41 H new ATOM 0 HA AGLU A 775 34.764 -5.246 16.215 0.55 22.71 H new ATOM 0 HA BGLU A 775 34.807 -5.243 16.247 0.45 22.71 H new ATOM 0 HB2AGLU A 775 37.388 -4.305 16.654 0.55 24.08 H new ATOM 0 HB2BGLU A 775 37.526 -4.654 16.591 0.45 24.08 H new ATOM 0 HB3AGLU A 775 36.214 -4.128 17.665 0.55 24.08 H new ATOM 0 HB3BGLU A 775 36.506 -3.779 17.383 0.45 24.08 H new ATOM 0 HG2AGLU A 775 37.526 -6.556 17.078 0.55 25.47 H new ATOM 0 HG2BGLU A 775 37.046 -5.427 18.843 0.45 25.47 H new ATOM 0 HG3AGLU A 775 37.536 -5.827 18.456 0.55 25.47 H new ATOM 0 HG3BGLU A 775 35.635 -5.844 18.328 0.45 25.47 H new ATOM 619 N GLN A 776 36.061 -3.030 14.345 1.00 21.04 N ATOM 620 CA GLN A 776 35.808 -1.804 13.592 1.00 21.76 C ATOM 621 C GLN A 776 34.436 -1.911 12.957 1.00 19.96 C ATOM 622 O GLN A 776 33.653 -0.929 13.017 1.00 19.29 O ATOM 623 CB GLN A 776 36.927 -1.573 12.565 1.00 21.16 C ATOM 624 CG GLN A 776 36.771 -0.372 11.623 1.00 22.63 C ATOM 625 CD GLN A 776 37.074 0.964 12.226 1.00 21.54 C ATOM 626 OE1 GLN A 776 37.944 1.092 13.144 1.00 22.27 O ATOM 627 NE2 GLN A 776 36.480 2.029 11.654 1.00 23.31 N ATOM 0 H GLN A 776 36.791 -3.426 14.122 1.00 21.04 H new ATOM 0 HA GLN A 776 35.812 -1.029 14.176 1.00 21.76 H new ATOM 0 HB2 GLN A 776 37.762 -1.471 13.047 1.00 21.16 H new ATOM 0 HB3 GLN A 776 37.008 -2.373 12.023 1.00 21.16 H new ATOM 0 HG2 GLN A 776 37.353 -0.503 10.858 1.00 22.63 H new ATOM 0 HG3 GLN A 776 35.861 -0.359 11.288 1.00 22.63 H new ATOM 0 HE21 GLN A 776 35.894 1.914 11.035 1.00 23.31 H new ATOM 0 HE22 GLN A 776 36.686 2.824 11.908 1.00 23.31 H new ATOM 628 N LEU A 777 34.175 -3.021 12.219 1.00 19.21 N ATOM 629 CA LEU A 777 32.863 -3.212 11.619 1.00 22.37 C ATOM 630 C LEU A 777 31.714 -3.194 12.588 1.00 20.79 C ATOM 631 O LEU A 777 30.617 -2.590 12.299 1.00 18.88 O ATOM 632 CB LEU A 777 32.794 -4.521 10.864 1.00 24.98 C ATOM 633 CG LEU A 777 31.614 -4.666 9.912 1.00 30.54 C ATOM 634 CD1 LEU A 777 31.809 -3.745 8.695 1.00 31.39 C ATOM 635 CD2 LEU A 777 31.466 -6.173 9.624 1.00 32.80 C ATOM 0 H LEU A 777 34.740 -3.651 12.067 1.00 19.21 H new ATOM 0 HA LEU A 777 32.766 -2.448 11.029 1.00 22.37 H new ATOM 0 HB2 LEU A 777 33.614 -4.628 10.357 1.00 24.98 H new ATOM 0 HB3 LEU A 777 32.762 -5.246 11.507 1.00 24.98 H new ATOM 0 HG LEU A 777 30.768 -4.368 10.282 1.00 30.54 H new ATOM 0 HD11 LEU A 777 31.055 -3.841 8.092 1.00 31.39 H new ATOM 0 HD12 LEU A 777 31.869 -2.824 8.992 1.00 31.39 H new ATOM 0 HD13 LEU A 777 32.626 -3.989 8.232 1.00 31.39 H new ATOM 0 HD21 LEU A 777 30.722 -6.315 9.018 1.00 32.80 H new ATOM 0 HD22 LEU A 777 32.281 -6.507 9.218 1.00 32.80 H new ATOM 0 HD23 LEU A 777 31.301 -6.647 10.454 1.00 32.80 H new ATOM 636 N LYS A 778 31.874 -3.882 13.722 1.00 17.78 N ATOM 637 CA ALYS A 778 30.831 -3.927 14.738 0.17 18.23 C ATOM 638 CA BLYS A 778 30.835 -3.941 14.718 0.83 19.94 C ATOM 639 C LYS A 778 30.520 -2.531 15.278 1.00 16.34 C ATOM 640 O LYS A 778 29.337 -2.217 15.550 1.00 18.33 O ATOM 641 CB ALYS A 778 31.203 -4.878 15.880 0.17 18.71 C ATOM 642 CB BLYS A 778 31.178 -4.939 15.811 0.83 22.12 C ATOM 643 CG ALYS A 778 31.019 -6.347 15.511 0.17 19.48 C ATOM 644 CG BLYS A 778 30.967 -6.410 15.347 0.83 24.96 C ATOM 645 CD ALYS A 778 31.201 -7.275 16.706 0.17 20.48 C ATOM 646 CD BLYS A 778 31.355 -7.411 16.450 0.83 33.00 C ATOM 647 CE ALYS A 778 30.690 -8.658 16.336 0.17 21.12 C ATOM 648 CE BLYS A 778 30.910 -8.819 16.049 0.83 39.56 C ATOM 649 NZ ALYS A 778 31.435 -9.258 15.189 0.17 21.55 N ATOM 650 NZ BLYS A 778 30.762 -9.718 17.242 0.83 47.28 N ATOM 0 H ALYS A 778 32.582 -4.329 13.918 0.17 17.78 H new ATOM 0 H BLYS A 778 32.586 -4.320 13.923 0.83 17.78 H new ATOM 0 HA ALYS A 778 30.030 -4.270 14.312 0.17 19.94 H new ATOM 0 HA BLYS A 778 30.024 -4.262 14.293 0.83 19.94 H new ATOM 0 HB2ALYS A 778 32.127 -4.726 16.134 0.17 22.12 H new ATOM 0 HB2BLYS A 778 32.101 -4.816 16.082 0.83 22.12 H new ATOM 0 HB3ALYS A 778 30.658 -4.673 16.656 0.17 22.12 H new ATOM 0 HB3BLYS A 778 30.628 -4.765 16.591 0.83 22.12 H new ATOM 0 HG2ALYS A 778 30.133 -6.475 15.137 0.17 24.96 H new ATOM 0 HG2BLYS A 778 30.038 -6.543 15.100 0.83 24.96 H new ATOM 0 HG3ALYS A 778 31.656 -6.586 14.819 0.17 24.96 H new ATOM 0 HG3BLYS A 778 31.498 -6.579 14.553 0.83 24.96 H new ATOM 0 HD2ALYS A 778 32.137 -7.319 16.957 0.17 33.00 H new ATOM 0 HD2BLYS A 778 32.314 -7.394 16.592 0.83 33.00 H new ATOM 0 HD3ALYS A 778 30.717 -6.933 17.474 0.17 33.00 H new ATOM 0 HD3BLYS A 778 30.940 -7.158 17.289 0.83 33.00 H new ATOM 0 HE2ALYS A 778 30.763 -9.243 17.106 0.17 39.56 H new ATOM 0 HE2BLYS A 778 30.065 -8.769 15.575 0.83 39.56 H new ATOM 0 HE3ALYS A 778 29.748 -8.602 16.111 0.17 39.56 H new ATOM 0 HE3BLYS A 778 31.557 -9.200 15.435 0.83 39.56 H new ATOM 0 HZ1ALYS A 778 31.123 -10.075 15.027 0.17 47.28 H new ATOM 0 HZ1BLYS A 778 30.461 -10.513 16.979 0.83 47.28 H new ATOM 0 HZ2ALYS A 778 31.326 -8.750 14.466 0.17 47.28 H new ATOM 0 HZ2BLYS A 778 31.552 -9.817 17.640 0.83 47.28 H new ATOM 0 HZ3ALYS A 778 32.301 -9.306 15.390 0.17 47.28 H new ATOM 0 HZ3BLYS A 778 30.185 -9.358 17.816 0.83 47.28 H new ATOM 651 N CYS A 779 31.566 -1.728 15.500 1.00 16.02 N ATOM 652 CA CYS A 779 31.335 -0.322 16.004 1.00 15.97 C ATOM 653 C CYS A 779 30.634 0.498 14.933 1.00 18.11 C ATOM 654 O CYS A 779 29.730 1.265 15.249 1.00 16.64 O ATOM 655 CB CYS A 779 32.604 0.365 16.428 1.00 16.90 C ATOM 656 SG CYS A 779 33.314 -0.397 17.929 1.00 20.75 S ATOM 0 H CYS A 779 32.389 -1.945 15.378 1.00 16.02 H new ATOM 0 HA CYS A 779 30.776 -0.391 16.794 1.00 15.97 H new ATOM 0 HB2 CYS A 779 33.251 0.324 15.707 1.00 16.90 H new ATOM 0 HB3 CYS A 779 32.424 1.303 16.595 1.00 16.90 H new ATOM 0 HG CYS A 779 33.000 0.247 18.892 1.00 20.75 H new ATOM 657 N GLU A 780 31.026 0.352 13.675 1.00 18.28 N ATOM 658 CA GLU A 780 30.317 1.005 12.555 1.00 20.02 C ATOM 659 C GLU A 780 28.856 0.653 12.486 1.00 18.18 C ATOM 660 O GLU A 780 28.008 1.548 12.331 1.00 18.48 O ATOM 661 CB GLU A 780 31.052 0.724 11.203 1.00 19.60 C ATOM 662 CG GLU A 780 32.420 1.348 11.107 1.00 20.57 C ATOM 663 CD GLU A 780 33.341 0.768 9.980 1.00 23.49 C ATOM 664 OE1 GLU A 780 33.005 -0.349 9.444 1.00 26.66 O ATOM 665 OE2 GLU A 780 34.390 1.441 9.639 1.00 25.98 O ATOM 0 H GLU A 780 31.703 -0.122 13.437 1.00 18.28 H new ATOM 0 HA GLU A 780 30.341 1.960 12.725 1.00 20.02 H new ATOM 0 HB2 GLU A 780 31.135 -0.235 11.084 1.00 19.60 H new ATOM 0 HB3 GLU A 780 30.504 1.054 10.473 1.00 19.60 H new ATOM 0 HG2 GLU A 780 32.315 2.301 10.960 1.00 20.57 H new ATOM 0 HG3 GLU A 780 32.870 1.240 11.960 1.00 20.57 H new ATOM 666 N PHE A 781 28.516 -0.609 12.725 1.00 17.85 N ATOM 667 CA PHE A 781 27.145 -1.075 12.682 1.00 18.12 C ATOM 668 C PHE A 781 26.362 -0.540 13.883 1.00 17.48 C ATOM 669 O PHE A 781 25.237 -0.084 13.734 1.00 17.26 O ATOM 670 CB PHE A 781 27.132 -2.584 12.745 1.00 18.06 C ATOM 671 CG PHE A 781 25.790 -3.210 12.563 1.00 18.74 C ATOM 672 CD1 PHE A 781 24.976 -2.839 11.470 1.00 20.48 C ATOM 673 CD2 PHE A 781 25.349 -4.164 13.387 1.00 20.36 C ATOM 674 CE1 PHE A 781 23.776 -3.462 11.288 1.00 19.85 C ATOM 675 CE2 PHE A 781 24.183 -4.811 13.200 1.00 23.27 C ATOM 676 CZ PHE A 781 23.354 -4.428 12.179 1.00 23.55 C ATOM 0 H PHE A 781 29.086 -1.223 12.919 1.00 17.85 H new ATOM 0 HA PHE A 781 26.736 -0.760 11.861 1.00 18.12 H new ATOM 0 HB2 PHE A 781 27.730 -2.928 12.063 1.00 18.06 H new ATOM 0 HB3 PHE A 781 27.490 -2.862 13.603 1.00 18.06 H new ATOM 0 HD1 PHE A 781 25.255 -2.176 10.880 1.00 20.48 H new ATOM 0 HD2 PHE A 781 25.870 -4.392 14.123 1.00 20.36 H new ATOM 0 HE1 PHE A 781 23.241 -3.235 10.562 1.00 19.85 H new ATOM 0 HE2 PHE A 781 23.942 -5.513 13.760 1.00 23.27 H new ATOM 0 HZ PHE A 781 22.514 -4.816 12.087 1.00 23.55 H new ATOM 677 N LEU A 782 26.997 -0.528 15.059 1.00 16.08 N ATOM 678 CA LEU A 782 26.365 -0.014 16.256 1.00 16.04 C ATOM 679 C LEU A 782 26.056 1.515 16.063 1.00 14.96 C ATOM 680 O LEU A 782 24.899 1.978 16.387 1.00 16.05 O ATOM 681 CB LEU A 782 27.266 -0.272 17.473 1.00 16.49 C ATOM 682 CG LEU A 782 26.853 0.381 18.788 1.00 16.72 C ATOM 683 CD1 LEU A 782 25.455 0.089 19.151 1.00 19.55 C ATOM 684 CD2 LEU A 782 27.685 -0.261 19.908 1.00 17.64 C ATOM 0 H LEU A 782 27.799 -0.817 15.176 1.00 16.08 H new ATOM 0 HA LEU A 782 25.525 -0.471 16.416 1.00 16.04 H new ATOM 0 HB2 LEU A 782 27.315 -1.230 17.614 1.00 16.49 H new ATOM 0 HB3 LEU A 782 28.162 0.029 17.255 1.00 16.49 H new ATOM 0 HG LEU A 782 26.978 1.337 18.684 1.00 16.72 H new ATOM 0 HD11 LEU A 782 25.241 0.524 19.991 1.00 19.55 H new ATOM 0 HD12 LEU A 782 24.864 0.419 18.456 1.00 19.55 H new ATOM 0 HD13 LEU A 782 25.338 -0.869 19.245 1.00 19.55 H new ATOM 0 HD21 LEU A 782 27.443 0.136 20.759 1.00 17.64 H new ATOM 0 HD22 LEU A 782 27.510 -1.215 19.935 1.00 17.64 H new ATOM 0 HD23 LEU A 782 28.628 -0.110 19.738 1.00 17.64 H new ATOM 685 N LEU A 783 27.029 2.265 15.522 1.00 15.99 N ATOM 686 CA LEU A 783 26.811 3.700 15.178 1.00 15.86 C ATOM 687 C LEU A 783 25.624 3.848 14.199 1.00 15.83 C ATOM 688 O LEU A 783 24.698 4.704 14.410 1.00 15.98 O ATOM 689 CB LEU A 783 28.055 4.318 14.697 1.00 16.32 C ATOM 690 CG LEU A 783 27.995 5.788 14.317 1.00 16.26 C ATOM 691 CD1 LEU A 783 27.492 6.597 15.537 1.00 16.44 C ATOM 692 CD2 LEU A 783 29.307 6.297 13.805 1.00 18.03 C ATOM 0 H LEU A 783 27.818 1.973 15.345 1.00 15.99 H new ATOM 0 HA LEU A 783 26.565 4.189 15.979 1.00 15.86 H new ATOM 0 HB2 LEU A 783 28.730 4.212 15.386 1.00 16.32 H new ATOM 0 HB3 LEU A 783 28.359 3.819 13.923 1.00 16.32 H new ATOM 0 HG LEU A 783 27.372 5.899 13.582 1.00 16.26 H new ATOM 0 HD11 LEU A 783 27.450 7.538 15.306 1.00 16.44 H new ATOM 0 HD12 LEU A 783 26.609 6.286 15.790 1.00 16.44 H new ATOM 0 HD13 LEU A 783 28.102 6.474 16.281 1.00 16.44 H new ATOM 0 HD21 LEU A 783 29.223 7.236 13.575 1.00 18.03 H new ATOM 0 HD22 LEU A 783 29.985 6.192 14.491 1.00 18.03 H new ATOM 0 HD23 LEU A 783 29.564 5.794 13.017 1.00 18.03 H new ATOM 693 N LEU A 784 25.573 2.981 13.167 1.00 16.91 N ATOM 694 CA LEU A 784 24.471 2.989 12.228 1.00 17.43 C ATOM 695 C LEU A 784 23.129 2.724 12.830 1.00 17.35 C ATOM 696 O LEU A 784 22.139 3.453 12.543 1.00 19.54 O ATOM 697 CB LEU A 784 24.718 2.072 11.010 1.00 17.44 C ATOM 698 CG LEU A 784 23.570 1.965 9.991 1.00 20.06 C ATOM 699 CD1 LEU A 784 24.178 2.019 8.599 1.00 24.09 C ATOM 700 CD2 LEU A 784 22.717 0.742 10.191 1.00 22.93 C ATOM 0 H LEU A 784 26.174 2.387 13.007 1.00 16.91 H new ATOM 0 HA LEU A 784 24.444 3.907 11.917 1.00 17.43 H new ATOM 0 HB2 LEU A 784 25.508 2.389 10.546 1.00 17.44 H new ATOM 0 HB3 LEU A 784 24.919 1.181 11.336 1.00 17.44 H new ATOM 0 HG LEU A 784 22.961 2.709 10.118 1.00 20.06 H new ATOM 0 HD11 LEU A 784 23.474 1.953 7.935 1.00 24.09 H new ATOM 0 HD12 LEU A 784 24.652 2.858 8.485 1.00 24.09 H new ATOM 0 HD13 LEU A 784 24.797 1.281 8.487 1.00 24.09 H new ATOM 0 HD21 LEU A 784 22.013 0.726 9.524 1.00 22.93 H new ATOM 0 HD22 LEU A 784 23.265 -0.053 10.101 1.00 22.93 H new ATOM 0 HD23 LEU A 784 22.323 0.764 11.077 1.00 22.93 H new ATOM 701 N LYS A 785 23.066 1.820 13.796 1.00 15.83 N ATOM 702 CA LYS A 785 21.820 1.520 14.479 1.00 15.85 C ATOM 703 C LYS A 785 21.320 2.725 15.262 1.00 17.73 C ATOM 704 O LYS A 785 20.098 2.923 15.323 1.00 19.14 O ATOM 705 CB LYS A 785 21.960 0.290 15.384 1.00 19.71 C ATOM 706 CG LYS A 785 22.046 -1.041 14.643 1.00 22.28 C ATOM 707 CD LYS A 785 20.662 -1.345 14.016 1.00 27.71 C ATOM 708 CE LYS A 785 20.681 -2.758 13.520 1.00 36.85 C ATOM 709 NZ LYS A 785 19.333 -3.346 13.649 1.00 42.82 N ATOM 0 H LYS A 785 23.741 1.365 14.073 1.00 15.83 H new ATOM 0 HA LYS A 785 21.158 1.310 13.802 1.00 15.85 H new ATOM 0 HB2 LYS A 785 22.755 0.394 15.930 1.00 19.71 H new ATOM 0 HB3 LYS A 785 21.202 0.261 15.989 1.00 19.71 H new ATOM 0 HG2 LYS A 785 22.727 -0.999 13.953 1.00 22.28 H new ATOM 0 HG3 LYS A 785 22.303 -1.750 15.253 1.00 22.28 H new ATOM 0 HD2 LYS A 785 19.958 -1.225 14.673 1.00 27.71 H new ATOM 0 HD3 LYS A 785 20.477 -0.732 13.287 1.00 27.71 H new ATOM 0 HE2 LYS A 785 20.967 -2.781 12.593 1.00 36.85 H new ATOM 0 HE3 LYS A 785 21.322 -3.280 14.028 1.00 36.85 H new ATOM 0 HZ1 LYS A 785 19.346 -4.186 13.354 1.00 42.82 H new ATOM 0 HZ2 LYS A 785 19.085 -3.336 14.504 1.00 42.82 H new ATOM 0 HZ3 LYS A 785 18.754 -2.871 13.167 1.00 42.82 H new ATOM 710 N VAL A 786 22.225 3.556 15.808 1.00 16.70 N ATOM 711 CA VAL A 786 21.781 4.796 16.459 1.00 16.51 C ATOM 712 C VAL A 786 21.212 5.810 15.452 1.00 15.57 C ATOM 713 O VAL A 786 20.150 6.402 15.697 1.00 16.87 O ATOM 714 CB VAL A 786 22.906 5.419 17.337 1.00 17.22 C ATOM 715 CG1 VAL A 786 22.538 6.786 17.874 1.00 17.17 C ATOM 716 CG2 VAL A 786 23.302 4.424 18.430 1.00 16.12 C ATOM 0 H VAL A 786 23.075 3.424 15.812 1.00 16.70 H new ATOM 0 HA VAL A 786 21.053 4.556 17.053 1.00 16.51 H new ATOM 0 HB VAL A 786 23.684 5.581 16.781 1.00 17.22 H new ATOM 0 HG11 VAL A 786 23.268 7.130 18.412 1.00 17.17 H new ATOM 0 HG12 VAL A 786 22.370 7.390 17.134 1.00 17.17 H new ATOM 0 HG13 VAL A 786 21.740 6.715 18.420 1.00 17.17 H new ATOM 0 HG21 VAL A 786 24.003 4.808 18.979 1.00 16.12 H new ATOM 0 HG22 VAL A 786 22.530 4.226 18.983 1.00 16.12 H new ATOM 0 HG23 VAL A 786 23.624 3.606 18.021 1.00 16.12 H new ATOM 717 N TYR A 787 21.913 5.992 14.345 1.00 18.15 N ATOM 718 CA TYR A 787 21.384 6.839 13.236 1.00 17.79 C ATOM 719 C TYR A 787 20.046 6.368 12.709 1.00 20.47 C ATOM 720 O TYR A 787 19.252 7.212 12.273 1.00 20.23 O ATOM 721 CB TYR A 787 22.419 7.014 12.137 1.00 18.29 C ATOM 722 CG TYR A 787 23.533 7.983 12.346 1.00 18.81 C ATOM 723 CD1 TYR A 787 23.374 9.341 12.088 1.00 21.40 C ATOM 724 CD2 TYR A 787 24.806 7.567 12.657 1.00 16.63 C ATOM 725 CE1 TYR A 787 24.449 10.188 12.196 1.00 18.56 C ATOM 726 CE2 TYR A 787 25.838 8.406 12.799 1.00 16.77 C ATOM 727 CZ TYR A 787 25.676 9.737 12.562 1.00 17.59 C ATOM 728 OH TYR A 787 26.740 10.637 12.606 1.00 16.04 O ATOM 0 H TYR A 787 22.687 5.648 14.199 1.00 18.15 H new ATOM 0 HA TYR A 787 21.210 7.716 13.613 1.00 17.79 H new ATOM 0 HB2 TYR A 787 22.814 6.145 11.965 1.00 18.29 H new ATOM 0 HB3 TYR A 787 21.949 7.277 11.330 1.00 18.29 H new ATOM 0 HD1 TYR A 787 22.541 9.674 11.843 1.00 21.40 H new ATOM 0 HD2 TYR A 787 24.957 6.657 12.774 1.00 16.63 H new ATOM 0 HE1 TYR A 787 24.334 11.093 12.014 1.00 18.56 H new ATOM 0 HE2 TYR A 787 26.669 8.079 13.060 1.00 16.77 H new ATOM 0 HH TYR A 787 26.509 11.362 12.251 1.00 16.04 H new ATOM 729 N CYS A 788 19.735 5.084 12.808 1.00 17.95 N ATOM 730 CA CYS A 788 18.457 4.564 12.360 1.00 20.75 C ATOM 731 C CYS A 788 17.274 5.108 13.151 1.00 23.20 C ATOM 732 O CYS A 788 16.176 5.110 12.642 1.00 22.87 O ATOM 733 CB CYS A 788 18.357 3.073 12.334 1.00 21.26 C ATOM 734 SG CYS A 788 19.367 2.239 11.107 1.00 23.19 S ATOM 0 H CYS A 788 20.261 4.489 13.138 1.00 17.95 H new ATOM 0 HA CYS A 788 18.415 4.882 11.445 1.00 20.75 H new ATOM 0 HB2 CYS A 788 18.599 2.735 13.210 1.00 21.26 H new ATOM 0 HB3 CYS A 788 17.430 2.831 12.183 1.00 21.26 H new ATOM 0 HG CYS A 788 20.527 2.435 11.343 1.00 23.19 H new ATOM 735 N ASP A 789 17.511 5.575 14.348 1.00 22.97 N ATOM 736 CA ASP A 789 16.428 6.175 15.151 1.00 23.23 C ATOM 737 C ASP A 789 16.282 7.615 14.784 1.00 21.08 C ATOM 738 O ASP A 789 17.249 8.358 14.798 1.00 19.21 O ATOM 739 CB ASP A 789 16.716 6.081 16.637 1.00 24.45 C ATOM 740 CG ASP A 789 15.433 6.272 17.454 1.00 31.66 C ATOM 741 OD1 ASP A 789 14.984 7.443 17.619 1.00 28.34 O ATOM 742 OD2 ASP A 789 14.827 5.213 17.848 1.00 32.04 O ATOM 0 H ASP A 789 18.281 5.564 14.731 1.00 22.97 H new ATOM 0 HA ASP A 789 15.612 5.685 14.963 1.00 23.23 H new ATOM 0 HB2 ASP A 789 17.108 5.218 16.841 1.00 24.45 H new ATOM 0 HB3 ASP A 789 17.367 6.755 16.888 1.00 24.45 H new ATOM 743 N SER A 790 15.043 8.051 14.524 1.00 23.33 N ATOM 744 CA SER A 790 14.868 9.470 14.108 1.00 23.24 C ATOM 745 C SER A 790 15.332 10.494 15.170 1.00 22.06 C ATOM 746 O SER A 790 15.750 11.610 14.797 1.00 23.49 O ATOM 747 CB SER A 790 13.413 9.731 13.678 1.00 25.64 C ATOM 748 OG SER A 790 12.617 9.464 14.804 1.00 33.18 O ATOM 0 H SER A 790 14.324 7.581 14.575 1.00 23.33 H new ATOM 0 HA SER A 790 15.453 9.605 13.346 1.00 23.24 H new ATOM 0 HB2 SER A 790 13.298 10.648 13.382 1.00 25.64 H new ATOM 0 HB3 SER A 790 13.164 9.160 12.935 1.00 25.64 H new ATOM 0 HG SER A 790 12.527 8.634 14.893 1.00 33.18 H new ATOM 749 N LYS A 791 15.321 10.106 16.443 1.00 18.04 N ATOM 750 CA LYS A 791 15.730 10.952 17.530 1.00 19.68 C ATOM 751 C LYS A 791 17.247 11.201 17.549 1.00 20.71 C ATOM 752 O LYS A 791 17.745 12.146 18.188 1.00 18.25 O ATOM 753 CB LYS A 791 15.235 10.447 18.857 1.00 22.12 C ATOM 754 CG LYS A 791 13.731 10.478 19.072 1.00 25.26 C ATOM 755 CD LYS A 791 13.369 9.545 20.231 1.00 28.14 C ATOM 756 CE LYS A 791 11.878 9.446 20.472 1.00 30.33 C ATOM 757 NZ LYS A 791 11.421 10.656 21.196 1.00 30.39 N ATOM 0 H LYS A 791 15.068 9.323 16.693 1.00 18.04 H new ATOM 0 HA LYS A 791 15.310 11.812 17.374 1.00 19.68 H new ATOM 0 HB2 LYS A 791 15.539 9.533 18.967 1.00 22.12 H new ATOM 0 HB3 LYS A 791 15.653 10.972 19.557 1.00 22.12 H new ATOM 0 HG2 LYS A 791 13.440 11.382 19.267 1.00 25.26 H new ATOM 0 HG3 LYS A 791 13.272 10.201 18.264 1.00 25.26 H new ATOM 0 HD2 LYS A 791 13.721 8.660 20.048 1.00 28.14 H new ATOM 0 HD3 LYS A 791 13.801 9.861 21.040 1.00 28.14 H new ATOM 0 HE2 LYS A 791 11.408 9.364 19.628 1.00 30.33 H new ATOM 0 HE3 LYS A 791 11.675 8.651 20.989 1.00 30.33 H new ATOM 0 HZ1 LYS A 791 10.564 10.564 21.417 1.00 30.39 H new ATOM 0 HZ2 LYS A 791 11.907 10.762 21.934 1.00 30.39 H new ATOM 0 HZ3 LYS A 791 11.517 11.369 20.673 1.00 30.39 H new ATOM 758 N SER A 792 17.995 10.451 16.717 1.00 19.17 N ATOM 759 CA SER A 792 19.387 10.754 16.555 1.00 19.85 C ATOM 760 C SER A 792 19.715 12.125 15.939 1.00 19.72 C ATOM 761 O SER A 792 20.800 12.664 16.152 1.00 19.41 O ATOM 762 CB SER A 792 20.062 9.657 15.699 1.00 19.63 C ATOM 763 OG SER A 792 19.634 9.781 14.336 1.00 20.95 O ATOM 0 H SER A 792 17.706 9.784 16.258 1.00 19.17 H new ATOM 0 HA SER A 792 19.733 10.786 17.461 1.00 19.85 H new ATOM 0 HB2 SER A 792 21.027 9.739 15.754 1.00 19.63 H new ATOM 0 HB3 SER A 792 19.832 8.779 16.041 1.00 19.63 H new ATOM 0 HG SER A 792 18.898 9.388 14.236 1.00 20.95 H new ATOM 764 N CYS A 793 18.732 12.761 15.283 1.00 22.21 N ATOM 765 CA CYS A 793 18.934 14.116 14.756 1.00 22.09 C ATOM 766 C CYS A 793 19.400 15.103 15.785 1.00 19.79 C ATOM 767 O CYS A 793 20.284 15.952 15.534 1.00 22.65 O ATOM 768 CB CYS A 793 17.629 14.600 14.035 1.00 27.45 C ATOM 769 SG CYS A 793 16.266 14.874 15.182 1.00 28.58 S ATOM 0 H CYS A 793 17.953 12.429 15.135 1.00 22.21 H new ATOM 0 HA CYS A 793 19.659 14.068 14.113 1.00 22.09 H new ATOM 0 HB2 CYS A 793 17.814 15.423 13.556 1.00 27.45 H new ATOM 0 HB3 CYS A 793 17.364 13.940 13.375 1.00 27.45 H new ATOM 0 HG CYS A 793 15.695 13.837 15.380 1.00 28.58 H new ATOM 770 N PHE A 794 18.966 14.918 17.032 1.00 19.06 N ATOM 771 CA PHE A 794 19.350 15.832 18.076 1.00 18.10 C ATOM 772 C PHE A 794 20.830 15.815 18.500 1.00 22.55 C ATOM 773 O PHE A 794 21.341 16.779 19.055 1.00 22.30 O ATOM 774 CB PHE A 794 18.523 15.663 19.330 1.00 20.38 C ATOM 775 CG PHE A 794 17.089 16.011 19.163 1.00 18.44 C ATOM 776 CD1 PHE A 794 16.681 17.316 19.033 1.00 21.24 C ATOM 777 CD2 PHE A 794 16.141 14.998 19.210 1.00 20.24 C ATOM 778 CE1 PHE A 794 15.313 17.578 18.881 1.00 20.89 C ATOM 779 CE2 PHE A 794 14.763 15.241 19.042 1.00 23.70 C ATOM 780 CZ PHE A 794 14.363 16.576 18.918 1.00 23.92 C ATOM 0 H PHE A 794 18.454 14.273 17.282 1.00 19.06 H new ATOM 0 HA PHE A 794 19.184 16.686 17.648 1.00 18.10 H new ATOM 0 HB2 PHE A 794 18.590 14.742 19.628 1.00 20.38 H new ATOM 0 HB3 PHE A 794 18.900 16.216 20.032 1.00 20.38 H new ATOM 0 HD1 PHE A 794 17.299 18.011 19.046 1.00 21.24 H new ATOM 0 HD2 PHE A 794 16.426 14.125 19.358 1.00 20.24 H new ATOM 0 HE1 PHE A 794 15.035 18.456 18.751 1.00 20.89 H new ATOM 0 HE2 PHE A 794 14.147 14.545 19.015 1.00 23.70 H new ATOM 0 HZ PHE A 794 13.459 16.788 18.861 1.00 23.92 H new ATOM 781 N PHE A 795 21.478 14.677 18.226 1.00 18.81 N ATOM 782 CA PHE A 795 22.824 14.372 18.614 1.00 17.08 C ATOM 783 C PHE A 795 23.804 14.251 17.418 1.00 18.23 C ATOM 784 O PHE A 795 24.943 13.940 17.643 1.00 19.14 O ATOM 785 CB PHE A 795 22.769 13.020 19.391 1.00 18.52 C ATOM 786 CG PHE A 795 21.877 13.093 20.596 1.00 17.13 C ATOM 787 CD1 PHE A 795 22.221 13.792 21.706 1.00 20.16 C ATOM 788 CD2 PHE A 795 20.622 12.472 20.548 1.00 19.09 C ATOM 789 CE1 PHE A 795 21.365 13.854 22.782 1.00 18.87 C ATOM 790 CE2 PHE A 795 19.773 12.532 21.626 1.00 20.47 C ATOM 791 CZ PHE A 795 20.132 13.239 22.741 1.00 19.46 C ATOM 0 H PHE A 795 21.109 14.038 17.784 1.00 18.81 H new ATOM 0 HA PHE A 795 23.165 15.101 19.156 1.00 17.08 H new ATOM 0 HB2 PHE A 795 22.452 12.321 18.798 1.00 18.52 H new ATOM 0 HB3 PHE A 795 23.665 12.772 19.668 1.00 18.52 H new ATOM 0 HD1 PHE A 795 23.040 14.232 21.740 1.00 20.16 H new ATOM 0 HD2 PHE A 795 20.362 12.016 19.780 1.00 19.09 H new ATOM 0 HE1 PHE A 795 21.622 14.317 23.547 1.00 18.87 H new ATOM 0 HE2 PHE A 795 18.954 12.092 21.598 1.00 20.47 H new ATOM 0 HZ PHE A 795 19.550 13.304 23.464 1.00 19.46 H new ATOM 792 N ALA A 796 23.362 14.464 16.195 1.00 18.91 N ATOM 793 CA ALA A 796 24.197 14.277 15.022 1.00 19.84 C ATOM 794 C ALA A 796 25.242 15.347 14.825 1.00 18.44 C ATOM 795 O ALA A 796 26.428 15.041 14.565 1.00 19.29 O ATOM 796 CB ALA A 796 23.366 14.115 13.791 1.00 21.22 C ATOM 0 H ALA A 796 22.562 14.724 16.017 1.00 18.91 H new ATOM 0 HA ALA A 796 24.689 13.458 15.187 1.00 19.84 H new ATOM 0 HB1 ALA A 796 23.946 13.992 13.023 1.00 21.22 H new ATOM 0 HB2 ALA A 796 22.790 13.340 13.889 1.00 21.22 H new ATOM 0 HB3 ALA A 796 22.822 14.907 13.661 1.00 21.22 H new ATOM 797 N SER A 797 24.860 16.623 14.952 1.00 20.26 N ATOM 798 CA SER A 797 25.774 17.681 14.555 1.00 21.47 C ATOM 799 C SER A 797 26.280 18.385 15.781 1.00 21.43 C ATOM 800 O SER A 797 25.837 18.110 16.882 1.00 23.10 O ATOM 801 CB SER A 797 25.075 18.582 13.515 1.00 27.80 C ATOM 802 OG SER A 797 24.132 19.270 14.244 1.00 30.76 O ATOM 0 H SER A 797 24.099 16.885 15.256 1.00 20.26 H new ATOM 0 HA SER A 797 26.566 17.336 14.113 1.00 21.47 H new ATOM 0 HB2 SER A 797 25.704 19.186 13.089 1.00 27.80 H new ATOM 0 HB3 SER A 797 24.664 18.057 12.810 1.00 27.80 H new ATOM 0 HG SER A 797 24.405 20.051 14.390 1.00 30.76 H new ATOM 803 N GLU A 798 27.218 19.306 15.609 1.00 20.42 N ATOM 804 CA GLU A 798 27.938 19.924 16.743 1.00 20.38 C ATOM 805 C GLU A 798 26.999 20.814 17.527 1.00 23.38 C ATOM 806 O GLU A 798 26.351 21.675 16.919 1.00 26.04 O ATOM 807 CB GLU A 798 29.146 20.717 16.267 1.00 22.21 C ATOM 808 CG GLU A 798 29.996 21.309 17.342 1.00 25.59 C ATOM 809 CD GLU A 798 31.287 21.987 16.841 1.00 26.96 C ATOM 810 OE1 GLU A 798 31.570 22.092 15.589 1.00 36.32 O ATOM 811 OE2 GLU A 798 32.071 22.335 17.756 1.00 31.35 O ATOM 0 H GLU A 798 27.463 19.597 14.838 1.00 20.42 H new ATOM 0 HA GLU A 798 28.260 19.214 17.320 1.00 20.38 H new ATOM 0 HB2 GLU A 798 29.700 20.136 15.723 1.00 22.21 H new ATOM 0 HB3 GLU A 798 28.836 21.433 15.691 1.00 22.21 H new ATOM 0 HG2 GLU A 798 29.471 21.962 17.830 1.00 25.59 H new ATOM 0 HG3 GLU A 798 30.235 20.610 17.971 1.00 25.59 H new ATOM 812 N PRO A 799 26.817 20.540 18.778 1.00 22.07 N ATOM 813 CA PRO A 799 25.917 21.255 19.654 1.00 24.97 C ATOM 814 C PRO A 799 26.531 22.569 20.148 1.00 26.88 C ATOM 815 O PRO A 799 27.756 22.800 20.047 1.00 24.85 O ATOM 816 CB PRO A 799 25.787 20.294 20.843 1.00 25.07 C ATOM 817 CG PRO A 799 27.149 19.781 20.948 1.00 26.79 C ATOM 818 CD PRO A 799 27.555 19.506 19.554 1.00 24.92 C ATOM 0 HA PRO A 799 25.083 21.489 19.218 1.00 24.97 H new ATOM 0 HB2 PRO A 799 25.504 20.749 21.652 1.00 25.07 H new ATOM 0 HB3 PRO A 799 25.143 19.589 20.674 1.00 25.07 H new ATOM 0 HG2 PRO A 799 27.738 20.429 21.365 1.00 26.79 H new ATOM 0 HG3 PRO A 799 27.182 18.977 21.490 1.00 26.79 H new ATOM 0 HD2 PRO A 799 28.515 19.587 19.437 1.00 24.92 H new ATOM 0 HD3 PRO A 799 27.310 18.608 19.279 1.00 24.92 H new ATOM 819 N TYR A 800 25.658 23.465 20.643 1.00 26.18 N ATOM 820 CA TYR A 800 26.107 24.650 21.363 1.00 27.15 C ATOM 821 C TYR A 800 25.226 24.881 22.593 1.00 24.67 C ATOM 822 O TYR A 800 24.104 24.406 22.666 1.00 23.73 O ATOM 823 CB TYR A 800 26.131 25.902 20.460 1.00 28.35 C ATOM 824 CG TYR A 800 24.787 26.278 19.947 1.00 36.02 C ATOM 825 CD1 TYR A 800 24.381 25.887 18.664 1.00 43.34 C ATOM 826 CD2 TYR A 800 23.935 27.106 20.716 1.00 45.44 C ATOM 827 CE1 TYR A 800 23.138 26.307 18.148 1.00 51.68 C ATOM 828 CE2 TYR A 800 22.691 27.522 20.217 1.00 56.15 C ATOM 829 CZ TYR A 800 22.305 27.128 18.934 1.00 58.01 C ATOM 830 OH TYR A 800 21.086 27.546 18.453 1.00 71.84 O ATOM 0 H TYR A 800 24.804 23.397 20.568 1.00 26.18 H new ATOM 0 HA TYR A 800 27.020 24.494 21.652 1.00 27.15 H new ATOM 0 HB2 TYR A 800 26.501 26.647 20.959 1.00 28.35 H new ATOM 0 HB3 TYR A 800 26.724 25.741 19.710 1.00 28.35 H new ATOM 0 HD1 TYR A 800 24.936 25.346 18.149 1.00 43.34 H new ATOM 0 HD2 TYR A 800 24.203 27.378 21.564 1.00 45.44 H new ATOM 0 HE1 TYR A 800 22.870 26.045 17.297 1.00 51.68 H new ATOM 0 HE2 TYR A 800 22.130 28.054 20.735 1.00 56.15 H new ATOM 0 HH TYR A 800 20.706 28.024 19.030 1.00 71.84 H new ATOM 831 N TYR A 801 25.786 25.571 23.576 1.00 22.56 N ATOM 832 CA TYR A 801 25.298 25.573 24.907 1.00 22.36 C ATOM 833 C TYR A 801 25.160 27.023 25.469 1.00 24.19 C ATOM 834 O TYR A 801 26.125 27.616 26.006 1.00 20.27 O ATOM 835 CB TYR A 801 26.273 24.805 25.788 1.00 22.88 C ATOM 836 CG TYR A 801 26.338 23.342 25.341 1.00 20.73 C ATOM 837 CD1 TYR A 801 25.357 22.420 25.764 1.00 21.94 C ATOM 838 CD2 TYR A 801 27.347 22.904 24.515 1.00 23.03 C ATOM 839 CE1 TYR A 801 25.437 21.045 25.395 1.00 22.56 C ATOM 840 CE2 TYR A 801 27.416 21.556 24.132 1.00 23.33 C ATOM 841 CZ TYR A 801 26.449 20.631 24.593 1.00 22.27 C ATOM 842 OH TYR A 801 26.482 19.280 24.231 1.00 20.69 O ATOM 0 H TYR A 801 26.483 26.062 23.465 1.00 22.56 H new ATOM 0 HA TYR A 801 24.421 25.159 24.907 1.00 22.36 H new ATOM 0 HB2 TYR A 801 27.154 25.207 25.736 1.00 22.88 H new ATOM 0 HB3 TYR A 801 25.993 24.856 26.715 1.00 22.88 H new ATOM 0 HD1 TYR A 801 24.649 22.713 26.291 1.00 21.94 H new ATOM 0 HD2 TYR A 801 27.987 23.505 24.209 1.00 23.03 H new ATOM 0 HE1 TYR A 801 24.802 20.439 25.701 1.00 22.56 H new ATOM 0 HE2 TYR A 801 28.101 21.269 23.572 1.00 23.33 H new ATOM 0 HH TYR A 801 25.699 18.977 24.205 1.00 20.69 H new ATOM 843 N ASN A 802 23.923 27.471 25.503 1.00 23.01 N ATOM 844 CA ASN A 802 23.632 28.790 26.099 1.00 24.21 C ATOM 845 C ASN A 802 22.229 28.779 26.702 1.00 23.80 C ATOM 846 O ASN A 802 21.284 29.162 26.068 1.00 25.45 O ATOM 847 CB ASN A 802 23.815 29.939 25.090 1.00 23.33 C ATOM 848 CG ASN A 802 23.848 31.306 25.794 1.00 24.31 C ATOM 849 OD1 ASN A 802 23.763 31.351 27.047 1.00 23.41 O ATOM 850 ND2 ASN A 802 24.118 32.383 25.020 1.00 26.02 N ATOM 0 H ASN A 802 23.239 27.048 25.197 1.00 23.01 H new ATOM 0 HA ASN A 802 24.275 28.955 26.807 1.00 24.21 H new ATOM 0 HB2 ASN A 802 24.639 29.809 24.595 1.00 23.33 H new ATOM 0 HB3 ASN A 802 23.091 29.923 24.445 1.00 23.33 H new ATOM 0 HD21 ASN A 802 24.242 33.153 25.383 1.00 26.02 H new ATOM 0 HD22 ASN A 802 24.165 32.297 24.166 1.00 26.02 H new ATOM 851 N ARG A 803 22.180 28.359 27.953 1.00 25.27 N ATOM 852 CA AARG A 803 20.938 28.138 28.678 0.43 27.36 C ATOM 853 CA BARG A 803 20.944 28.129 28.670 0.57 26.69 C ATOM 854 C ARG A 803 21.129 28.709 30.053 1.00 26.07 C ATOM 855 O ARG A 803 22.121 28.439 30.726 1.00 28.10 O ATOM 856 CB AARG A 803 20.609 26.647 28.786 0.43 29.45 C ATOM 857 CB BARG A 803 20.648 26.631 28.770 0.57 28.17 C ATOM 858 CG AARG A 803 19.714 26.228 29.957 0.43 31.05 C ATOM 859 CG BARG A 803 19.321 26.265 29.433 0.57 28.65 C ATOM 860 CD AARG A 803 19.318 24.760 29.834 0.43 33.16 C ATOM 861 CD BARG A 803 19.260 24.804 29.890 0.57 31.33 C ATOM 862 NE AARG A 803 18.113 24.617 29.049 0.43 37.02 N ATOM 863 NE BARG A 803 17.903 24.567 30.336 0.57 33.58 N ATOM 864 CZ AARG A 803 16.905 24.460 29.576 0.43 35.72 C ATOM 865 CZ BARG A 803 17.465 24.119 31.501 0.57 40.89 C ATOM 866 NH1AARG A 803 16.736 24.426 30.883 0.43 40.17 N ATOM 867 NH1BARG A 803 18.267 23.689 32.467 0.57 44.56 N ATOM 868 NH2AARG A 803 15.883 24.363 28.781 0.43 29.77 N ATOM 869 NH2BARG A 803 16.142 24.031 31.658 0.57 45.57 N ATOM 0 H AARG A 803 22.883 28.190 28.418 0.43 25.27 H new ATOM 0 H BARG A 803 22.883 28.196 28.420 0.57 25.27 H new ATOM 0 HA AARG A 803 20.202 28.562 28.209 0.43 26.69 H new ATOM 0 HA BARG A 803 20.199 28.544 28.208 0.57 26.69 H new ATOM 0 HB2AARG A 803 20.180 26.370 27.961 0.43 28.17 H new ATOM 0 HB2BARG A 803 20.660 26.255 27.876 0.57 28.17 H new ATOM 0 HB3AARG A 803 21.443 26.156 28.850 0.43 28.17 H new ATOM 0 HB3BARG A 803 21.367 26.208 29.265 0.57 28.17 H new ATOM 0 HG2AARG A 803 20.181 26.373 30.795 0.43 28.65 H new ATOM 0 HG2BARG A 803 19.178 26.844 30.198 0.57 28.65 H new ATOM 0 HG3AARG A 803 18.918 26.782 29.976 0.43 28.65 H new ATOM 0 HG3BARG A 803 18.597 26.434 28.810 0.57 28.65 H new ATOM 0 HD2AARG A 803 20.039 24.260 29.421 0.43 31.33 H new ATOM 0 HD2BARG A 803 19.494 24.205 29.163 0.57 31.33 H new ATOM 0 HD3AARG A 803 19.180 24.383 30.717 0.43 31.33 H new ATOM 0 HD3BARG A 803 19.892 24.640 30.607 0.57 31.33 H new ATOM 0 HE AARG A 803 18.183 24.635 28.192 0.43 33.58 H new ATOM 0 HE BARG A 803 17.291 24.744 29.758 0.57 33.58 H new ATOM 0 HH11AARG A 803 17.414 24.506 31.406 0.43 44.56 H new ATOM 0 HH11BARG A 803 19.119 23.693 32.352 0.57 44.56 H new ATOM 0 HH12AARG A 803 15.948 24.324 31.212 0.43 44.56 H new ATOM 0 HH12BARG A 803 17.934 23.407 33.208 0.57 44.56 H new ATOM 0 HH21AARG A 803 15.996 24.401 27.929 0.43 45.57 H new ATOM 0 HH21BARG A 803 15.617 24.261 31.017 0.57 45.57 H new ATOM 0 HH22AARG A 803 15.093 24.261 29.106 0.43 45.57 H new ATOM 0 HH22BARG A 803 15.815 23.745 32.400 0.57 45.57 H new ATOM 870 N GLU A 804 20.175 29.524 30.478 1.00 28.79 N ATOM 871 CA GLU A 804 20.276 30.122 31.811 1.00 31.82 C ATOM 872 C GLU A 804 20.331 29.004 32.859 1.00 31.53 C ATOM 873 O GLU A 804 19.577 28.042 32.770 1.00 32.69 O ATOM 874 CB GLU A 804 19.036 31.022 32.061 1.00 38.56 C ATOM 875 CG GLU A 804 19.062 31.688 33.449 1.00 53.27 C ATOM 876 CD GLU A 804 17.825 32.557 33.725 1.00 65.16 C ATOM 877 OE1 GLU A 804 17.169 33.049 32.760 1.00 67.86 O ATOM 878 OE2 GLU A 804 17.507 32.730 34.929 1.00 71.57 O ATOM 0 H GLU A 804 19.476 29.743 30.027 1.00 28.79 H new ATOM 0 HA GLU A 804 21.080 30.661 31.875 1.00 31.82 H new ATOM 0 HB2 GLU A 804 18.995 31.708 31.377 1.00 38.56 H new ATOM 0 HB3 GLU A 804 18.230 30.488 31.976 1.00 38.56 H new ATOM 0 HG2 GLU A 804 19.126 31.000 34.130 1.00 53.27 H new ATOM 0 HG3 GLU A 804 19.859 32.236 33.524 1.00 53.27 H new ATOM 879 N GLY A 805 21.258 29.112 33.802 1.00 32.92 N ATOM 880 CA GLY A 805 21.430 28.128 34.861 1.00 36.06 C ATOM 881 C GLY A 805 22.204 26.868 34.539 1.00 38.46 C ATOM 882 O GLY A 805 22.368 26.043 35.430 1.00 40.20 O ATOM 0 H GLY A 805 21.812 29.768 33.845 1.00 32.92 H new ATOM 0 HA2 GLY A 805 21.871 28.566 35.605 1.00 36.06 H new ATOM 0 HA3 GLY A 805 20.549 27.865 35.169 1.00 36.06 H new ATOM 883 N SER A 806 22.740 26.732 33.308 1.00 30.88 N ATOM 884 CA SER A 806 23.584 25.598 32.945 1.00 30.28 C ATOM 885 C SER A 806 24.860 26.076 32.299 1.00 33.02 C ATOM 886 O SER A 806 24.902 27.145 31.708 1.00 30.52 O ATOM 887 CB SER A 806 22.830 24.672 31.937 1.00 33.86 C ATOM 888 OG SER A 806 21.763 24.054 32.594 1.00 37.53 O ATOM 0 H SER A 806 22.619 27.297 32.671 1.00 30.88 H new ATOM 0 HA SER A 806 23.795 25.106 33.754 1.00 30.28 H new ATOM 0 HB2 SER A 806 22.504 25.191 31.185 1.00 33.86 H new ATOM 0 HB3 SER A 806 23.435 24.004 31.580 1.00 33.86 H new ATOM 0 HG SER A 806 21.581 23.328 32.212 1.00 37.53 H new ATOM 889 N GLN A 807 25.884 25.254 32.418 1.00 29.89 N ATOM 890 CA GLN A 807 27.135 25.484 31.781 1.00 37.13 C ATOM 891 C GLN A 807 27.352 24.309 30.792 1.00 32.19 C ATOM 892 O GLN A 807 27.022 23.173 31.107 1.00 28.57 O ATOM 893 CB GLN A 807 28.239 25.499 32.844 1.00 46.76 C ATOM 894 CG GLN A 807 28.578 26.869 33.401 1.00 60.94 C ATOM 895 CD GLN A 807 29.160 27.788 32.336 1.00 76.23 C ATOM 896 OE1 GLN A 807 29.886 27.329 31.445 1.00 75.68 O ATOM 897 NE2 GLN A 807 28.814 29.092 32.396 1.00 87.59 N ATOM 0 H GLN A 807 25.859 24.532 32.885 1.00 29.89 H new ATOM 0 HA GLN A 807 27.153 26.332 31.311 1.00 37.13 H new ATOM 0 HB2 GLN A 807 27.970 24.924 33.578 1.00 46.76 H new ATOM 0 HB3 GLN A 807 29.042 25.113 32.461 1.00 46.76 H new ATOM 0 HG2 GLN A 807 27.779 27.273 33.774 1.00 60.94 H new ATOM 0 HG3 GLN A 807 29.213 26.774 34.128 1.00 60.94 H new ATOM 0 HE21 GLN A 807 28.307 29.374 33.031 1.00 87.59 H new ATOM 0 HE22 GLN A 807 29.101 29.641 31.799 1.00 87.59 H new ATOM 898 N GLY A 808 27.907 24.595 29.629 1.00 27.98 N ATOM 899 CA GLY A 808 28.156 23.535 28.660 1.00 30.01 C ATOM 900 C GLY A 808 29.192 22.497 29.160 1.00 28.51 C ATOM 901 O GLY A 808 29.985 22.758 30.054 1.00 27.22 O ATOM 0 H GLY A 808 28.145 25.383 29.379 1.00 27.98 H new ATOM 0 HA2 GLY A 808 27.322 23.083 28.460 1.00 30.01 H new ATOM 0 HA3 GLY A 808 28.472 23.928 27.831 1.00 30.01 H new ATOM 902 N PRO A 809 29.206 21.308 28.536 1.00 24.96 N ATOM 903 CA PRO A 809 30.145 20.265 28.939 1.00 23.19 C ATOM 904 C PRO A 809 31.586 20.657 28.618 1.00 24.25 C ATOM 905 O PRO A 809 31.865 21.290 27.592 1.00 26.29 O ATOM 906 CB PRO A 809 29.653 19.051 28.117 1.00 23.37 C ATOM 907 CG PRO A 809 29.066 19.660 26.903 1.00 25.55 C ATOM 908 CD PRO A 809 28.309 20.878 27.495 1.00 23.03 C ATOM 0 HA PRO A 809 30.162 20.091 29.893 1.00 23.19 H new ATOM 0 HB2 PRO A 809 30.383 18.451 27.897 1.00 23.37 H new ATOM 0 HB3 PRO A 809 28.997 18.532 28.607 1.00 23.37 H new ATOM 0 HG2 PRO A 809 29.746 19.929 26.265 1.00 25.55 H new ATOM 0 HG3 PRO A 809 28.470 19.050 26.442 1.00 25.55 H new ATOM 0 HD2 PRO A 809 28.162 21.571 26.833 1.00 23.03 H new ATOM 0 HD3 PRO A 809 27.439 20.630 27.845 1.00 23.03 H new ATOM 909 N GLN A 810 32.513 20.123 29.419 1.00 28.11 N ATOM 910 CA GLN A 810 33.933 20.242 29.171 1.00 31.02 C ATOM 911 C GLN A 810 34.374 19.611 27.879 1.00 29.48 C ATOM 912 O GLN A 810 35.272 20.153 27.204 1.00 30.76 O ATOM 913 CB GLN A 810 34.724 19.626 30.329 1.00 37.98 C ATOM 914 CG GLN A 810 34.355 20.152 31.705 1.00 48.84 C ATOM 915 CD GLN A 810 34.668 21.612 31.847 1.00 58.68 C ATOM 916 OE1 GLN A 810 35.742 22.075 31.462 1.00 69.63 O ATOM 917 NE2 GLN A 810 33.716 22.361 32.380 1.00 72.24 N ATOM 0 H GLN A 810 32.322 19.677 30.129 1.00 28.11 H new ATOM 0 HA GLN A 810 34.114 21.192 29.099 1.00 31.02 H new ATOM 0 HB2 GLN A 810 34.593 18.665 30.318 1.00 37.98 H new ATOM 0 HB3 GLN A 810 35.669 19.785 30.179 1.00 37.98 H new ATOM 0 HG2 GLN A 810 33.409 20.007 31.863 1.00 48.84 H new ATOM 0 HG3 GLN A 810 34.836 19.651 32.382 1.00 48.84 H new ATOM 0 HE21 GLN A 810 32.979 22.001 32.637 1.00 72.24 H new ATOM 0 HE22 GLN A 810 33.835 23.208 32.469 1.00 72.24 H new ATOM 918 N LYS A 811 33.743 18.486 27.494 1.00 25.56 N ATOM 919 CA LYS A 811 34.103 17.786 26.271 1.00 24.14 C ATOM 920 C LYS A 811 32.902 17.452 25.431 1.00 21.69 C ATOM 921 O LYS A 811 32.286 16.351 25.577 1.00 23.39 O ATOM 922 CB LYS A 811 34.868 16.531 26.633 1.00 25.38 C ATOM 923 CG LYS A 811 35.386 15.808 25.369 1.00 29.16 C ATOM 924 CD LYS A 811 36.238 14.583 25.733 1.00 35.05 C ATOM 925 CE LYS A 811 36.506 13.695 24.539 1.00 37.43 C ATOM 926 NZ LYS A 811 37.199 12.511 25.124 1.00 43.25 N ATOM 0 H LYS A 811 33.103 18.120 27.937 1.00 25.56 H new ATOM 0 HA LYS A 811 34.660 18.372 25.735 1.00 24.14 H new ATOM 0 HB2 LYS A 811 35.616 16.759 27.207 1.00 25.38 H new ATOM 0 HB3 LYS A 811 34.294 15.934 27.138 1.00 25.38 H new ATOM 0 HG2 LYS A 811 34.634 15.530 24.822 1.00 29.16 H new ATOM 0 HG3 LYS A 811 35.913 16.423 24.835 1.00 29.16 H new ATOM 0 HD2 LYS A 811 37.082 14.879 26.109 1.00 35.05 H new ATOM 0 HD3 LYS A 811 35.785 14.069 26.420 1.00 35.05 H new ATOM 0 HE2 LYS A 811 35.683 13.441 24.092 1.00 37.43 H new ATOM 0 HE3 LYS A 811 37.060 14.142 23.880 1.00 37.43 H new ATOM 0 HZ1 LYS A 811 37.857 12.254 24.582 1.00 43.25 H new ATOM 0 HZ2 LYS A 811 37.536 12.727 25.919 1.00 43.25 H new ATOM 0 HZ3 LYS A 811 36.618 11.844 25.220 1.00 43.25 H new ATOM 927 N PRO A 812 32.520 18.383 24.529 1.00 21.71 N ATOM 928 CA PRO A 812 31.377 18.166 23.698 1.00 22.11 C ATOM 929 C PRO A 812 31.604 16.990 22.766 1.00 20.88 C ATOM 930 O PRO A 812 32.755 16.681 22.417 1.00 23.04 O ATOM 931 CB PRO A 812 31.274 19.504 22.891 1.00 24.38 C ATOM 932 CG PRO A 812 31.942 20.538 23.792 1.00 23.11 C ATOM 933 CD PRO A 812 33.090 19.749 24.368 1.00 23.98 C ATOM 0 HA PRO A 812 30.573 17.955 24.197 1.00 22.11 H new ATOM 0 HB2 PRO A 812 31.724 19.437 22.035 1.00 24.38 H new ATOM 0 HB3 PRO A 812 30.350 19.737 22.708 1.00 24.38 H new ATOM 0 HG2 PRO A 812 32.247 21.312 23.294 1.00 23.11 H new ATOM 0 HG3 PRO A 812 31.341 20.862 24.481 1.00 23.11 H new ATOM 0 HD2 PRO A 812 33.858 19.749 23.775 1.00 23.98 H new ATOM 0 HD3 PRO A 812 33.387 20.115 25.216 1.00 23.98 H new ATOM 934 N MET A 813 30.534 16.311 22.395 1.00 18.59 N ATOM 935 CA MET A 813 30.609 15.152 21.559 1.00 17.68 C ATOM 936 C MET A 813 29.313 15.020 20.777 1.00 17.26 C ATOM 937 O MET A 813 28.249 15.370 21.258 1.00 18.10 O ATOM 938 CB MET A 813 30.887 13.860 22.440 1.00 20.12 C ATOM 939 CG MET A 813 31.331 12.629 21.645 1.00 21.30 C ATOM 940 SD MET A 813 32.645 12.781 20.421 1.00 21.94 S ATOM 941 CE MET A 813 33.858 13.279 21.611 1.00 26.66 C ATOM 0 H MET A 813 29.734 16.521 22.630 1.00 18.59 H new ATOM 0 HA MET A 813 31.343 15.243 20.932 1.00 17.68 H new ATOM 0 HB2 MET A 813 31.570 14.071 23.095 1.00 20.12 H new ATOM 0 HB3 MET A 813 30.081 13.639 22.932 1.00 20.12 H new ATOM 0 HG2 MET A 813 31.608 11.955 22.285 1.00 21.30 H new ATOM 0 HG3 MET A 813 30.549 12.282 21.189 1.00 21.30 H new ATOM 0 HE1 MET A 813 34.746 13.112 21.258 1.00 26.66 H new ATOM 0 HE2 MET A 813 33.758 14.225 21.799 1.00 26.66 H new ATOM 0 HE3 MET A 813 33.736 12.772 22.429 1.00 26.66 H new ATOM 942 N TRP A 814 29.382 14.504 19.575 1.00 17.28 N ATOM 943 CA TRP A 814 28.273 14.317 18.716 1.00 16.66 C ATOM 944 C TRP A 814 28.510 13.207 17.735 1.00 16.41 C ATOM 945 O TRP A 814 29.690 12.800 17.536 1.00 16.23 O ATOM 946 CB TRP A 814 27.891 15.680 17.987 1.00 16.81 C ATOM 947 CG TRP A 814 28.984 16.310 17.141 1.00 18.07 C ATOM 948 CD1 TRP A 814 29.104 16.219 15.835 1.00 18.25 C ATOM 949 CD2 TRP A 814 30.084 17.105 17.598 1.00 16.79 C ATOM 950 NE1 TRP A 814 30.189 16.934 15.392 1.00 20.16 N ATOM 951 CE2 TRP A 814 30.789 17.495 16.475 1.00 18.58 C ATOM 952 CE3 TRP A 814 30.540 17.522 18.866 1.00 19.22 C ATOM 953 CZ2 TRP A 814 31.926 18.271 16.549 1.00 21.34 C ATOM 954 CZ3 TRP A 814 31.678 18.289 18.945 1.00 23.12 C ATOM 955 CH2 TRP A 814 32.398 18.598 17.781 1.00 24.03 C ATOM 0 H TRP A 814 30.124 14.242 19.228 1.00 17.28 H new ATOM 0 HA TRP A 814 27.516 14.049 19.260 1.00 16.66 H new ATOM 0 HB2 TRP A 814 27.120 15.518 17.420 1.00 16.81 H new ATOM 0 HB3 TRP A 814 27.618 16.322 18.661 1.00 16.81 H new ATOM 0 HD1 TRP A 814 28.531 15.735 15.285 1.00 18.25 H new ATOM 0 HE1 TRP A 814 30.444 17.013 14.574 1.00 20.16 H new ATOM 0 HE3 TRP A 814 30.078 17.282 19.637 1.00 19.22 H new ATOM 0 HZ2 TRP A 814 32.358 18.562 15.778 1.00 21.34 H new ATOM 0 HZ3 TRP A 814 31.971 18.603 19.770 1.00 23.12 H new ATOM 0 HH2 TRP A 814 33.215 19.036 17.854 1.00 24.03 H new ATOM 956 N LEU A 815 27.436 12.689 17.141 1.00 15.52 N ATOM 957 CA LEU A 815 27.494 11.463 16.272 1.00 17.07 C ATOM 958 C LEU A 815 28.386 11.628 15.075 1.00 16.83 C ATOM 959 O LEU A 815 29.218 10.770 14.799 1.00 15.37 O ATOM 960 CB LEU A 815 26.153 10.914 15.868 1.00 17.77 C ATOM 961 CG LEU A 815 25.210 10.543 17.015 1.00 18.35 C ATOM 962 CD1 LEU A 815 23.799 10.293 16.521 1.00 19.03 C ATOM 963 CD2 LEU A 815 25.659 9.226 17.685 1.00 18.49 C ATOM 0 H LEU A 815 26.647 13.023 17.218 1.00 15.52 H new ATOM 0 HA LEU A 815 27.894 10.797 16.852 1.00 17.07 H new ATOM 0 HB2 LEU A 815 25.710 11.570 15.307 1.00 17.77 H new ATOM 0 HB3 LEU A 815 26.297 10.125 15.322 1.00 17.77 H new ATOM 0 HG LEU A 815 25.233 11.290 17.633 1.00 18.35 H new ATOM 0 HD11 LEU A 815 23.230 10.061 17.271 1.00 19.03 H new ATOM 0 HD12 LEU A 815 23.459 11.094 16.093 1.00 19.03 H new ATOM 0 HD13 LEU A 815 23.804 9.563 15.882 1.00 19.03 H new ATOM 0 HD21 LEU A 815 25.051 9.007 18.408 1.00 18.49 H new ATOM 0 HD22 LEU A 815 25.652 8.511 17.030 1.00 18.49 H new ATOM 0 HD23 LEU A 815 26.556 9.332 18.038 1.00 18.49 H new ATOM 964 N ASN A 816 28.311 12.786 14.432 1.00 17.31 N ATOM 965 CA ASN A 816 29.129 13.001 13.224 1.00 20.81 C ATOM 966 C ASN A 816 30.588 13.046 13.552 1.00 18.74 C ATOM 967 O ASN A 816 31.372 12.650 12.730 1.00 20.76 O ATOM 968 CB ASN A 816 28.695 14.222 12.424 1.00 19.83 C ATOM 969 CG ASN A 816 27.275 14.103 11.801 1.00 23.29 C ATOM 970 OD1 ASN A 816 26.648 13.039 11.675 1.00 25.40 O ATOM 971 ND2 ASN A 816 26.730 15.295 11.391 1.00 25.38 N ATOM 0 H ASN A 816 27.812 13.447 14.662 1.00 17.31 H new ATOM 0 HA ASN A 816 28.977 12.234 12.650 1.00 20.81 H new ATOM 0 HB2 ASN A 816 28.720 15.001 13.002 1.00 19.83 H new ATOM 0 HB3 ASN A 816 29.337 14.376 11.714 1.00 19.83 H new ATOM 0 HD21 ASN A 816 25.944 15.311 11.042 1.00 25.38 H new ATOM 0 HD22 ASN A 816 27.174 16.025 11.484 1.00 25.38 H new ATOM 972 N LYS A 817 30.971 13.480 14.737 1.00 17.26 N ATOM 973 CA LYS A 817 32.339 13.488 15.176 1.00 20.93 C ATOM 974 C LYS A 817 32.828 12.029 15.409 1.00 19.36 C ATOM 975 O LYS A 817 33.935 11.677 14.992 1.00 18.09 O ATOM 976 CB LYS A 817 32.529 14.295 16.423 1.00 21.52 C ATOM 977 CG LYS A 817 33.924 14.486 16.883 1.00 26.67 C ATOM 978 CD LYS A 817 33.951 15.385 18.086 1.00 31.23 C ATOM 979 CE LYS A 817 35.325 15.532 18.720 1.00 40.20 C ATOM 980 NZ LYS A 817 36.247 15.953 17.644 1.00 50.43 N ATOM 0 H LYS A 817 30.421 13.787 15.323 1.00 17.26 H new ATOM 0 HA LYS A 817 32.867 13.905 14.477 1.00 20.93 H new ATOM 0 HB2 LYS A 817 32.134 15.170 16.281 1.00 21.52 H new ATOM 0 HB3 LYS A 817 32.029 13.871 17.138 1.00 21.52 H new ATOM 0 HG2 LYS A 817 34.320 13.628 17.102 1.00 26.67 H new ATOM 0 HG3 LYS A 817 34.457 14.871 16.170 1.00 26.67 H new ATOM 0 HD2 LYS A 817 33.628 16.263 17.829 1.00 31.23 H new ATOM 0 HD3 LYS A 817 33.334 15.039 18.750 1.00 31.23 H new ATOM 0 HE2 LYS A 817 35.306 16.188 19.434 1.00 40.20 H new ATOM 0 HE3 LYS A 817 35.614 14.694 19.113 1.00 40.20 H new ATOM 0 HZ1 LYS A 817 36.985 16.298 18.003 1.00 50.43 H new ATOM 0 HZ2 LYS A 817 36.462 15.248 17.145 1.00 50.43 H new ATOM 0 HZ3 LYS A 817 35.850 16.566 17.136 1.00 50.43 H new ATOM 981 N VAL A 818 31.993 11.228 16.022 1.00 18.03 N ATOM 982 CA VAL A 818 32.287 9.763 16.177 1.00 17.78 C ATOM 983 C VAL A 818 32.397 9.087 14.847 1.00 19.84 C ATOM 984 O VAL A 818 33.330 8.288 14.614 1.00 17.50 O ATOM 985 CB VAL A 818 31.244 9.049 17.079 1.00 17.32 C ATOM 986 CG1 VAL A 818 31.572 7.565 17.216 1.00 20.01 C ATOM 987 CG2 VAL A 818 31.252 9.669 18.462 1.00 18.62 C ATOM 0 H VAL A 818 31.246 11.481 16.365 1.00 18.03 H new ATOM 0 HA VAL A 818 33.146 9.694 16.622 1.00 17.78 H new ATOM 0 HB VAL A 818 30.372 9.150 16.667 1.00 17.32 H new ATOM 0 HG11 VAL A 818 30.910 7.138 17.782 1.00 20.01 H new ATOM 0 HG12 VAL A 818 31.564 7.149 16.340 1.00 20.01 H new ATOM 0 HG13 VAL A 818 32.451 7.463 17.614 1.00 20.01 H new ATOM 0 HG21 VAL A 818 30.599 9.220 19.022 1.00 18.62 H new ATOM 0 HG22 VAL A 818 32.134 9.574 18.854 1.00 18.62 H new ATOM 0 HG23 VAL A 818 31.028 10.610 18.396 1.00 18.62 H new ATOM 988 N LYS A 819 31.517 9.434 13.926 1.00 17.46 N ATOM 989 CA LYS A 819 31.572 8.929 12.563 1.00 20.27 C ATOM 990 C LYS A 819 32.933 9.210 11.872 1.00 19.65 C ATOM 991 O LYS A 819 33.602 8.334 11.340 1.00 21.47 O ATOM 992 CB LYS A 819 30.418 9.426 11.726 1.00 20.32 C ATOM 993 CG LYS A 819 30.370 8.815 10.362 1.00 24.81 C ATOM 994 CD LYS A 819 29.236 9.278 9.472 1.00 30.62 C ATOM 995 CE LYS A 819 27.959 8.606 9.823 1.00 32.46 C ATOM 996 NZ LYS A 819 27.005 8.756 8.702 1.00 39.12 N ATOM 0 H LYS A 819 30.864 9.974 14.073 1.00 17.46 H new ATOM 0 HA LYS A 819 31.488 7.965 12.633 1.00 20.27 H new ATOM 0 HB2 LYS A 819 29.586 9.236 12.188 1.00 20.32 H new ATOM 0 HB3 LYS A 819 30.481 10.390 11.640 1.00 20.32 H new ATOM 0 HG2 LYS A 819 31.209 9.003 9.912 1.00 24.81 H new ATOM 0 HG3 LYS A 819 30.310 7.852 10.459 1.00 24.81 H new ATOM 0 HD2 LYS A 819 29.130 10.239 9.554 1.00 30.62 H new ATOM 0 HD3 LYS A 819 29.455 9.095 8.545 1.00 30.62 H new ATOM 0 HE2 LYS A 819 28.115 7.666 10.005 1.00 32.46 H new ATOM 0 HE3 LYS A 819 27.588 8.994 10.631 1.00 32.46 H new ATOM 0 HZ1 LYS A 819 26.277 8.271 8.864 1.00 39.12 H new ATOM 0 HZ2 LYS A 819 26.777 9.612 8.618 1.00 39.12 H new ATOM 0 HZ3 LYS A 819 27.386 8.475 7.948 1.00 39.12 H new ATOM 997 N THR A 820 33.340 10.440 11.965 1.00 21.37 N ATOM 998 CA THR A 820 34.652 10.838 11.414 1.00 20.83 C ATOM 999 C THR A 820 35.800 10.139 12.100 1.00 20.95 C ATOM 1000 O THR A 820 36.775 9.698 11.468 1.00 22.13 O ATOM 1001 CB THR A 820 34.748 12.333 11.502 1.00 22.74 C ATOM 1002 OG1 THR A 820 33.763 12.816 10.592 1.00 24.38 O ATOM 1003 CG2 THR A 820 36.131 12.750 11.098 1.00 32.08 C ATOM 0 H THR A 820 32.894 11.075 12.336 1.00 21.37 H new ATOM 0 HA THR A 820 34.718 10.562 10.486 1.00 20.83 H new ATOM 0 HB THR A 820 34.594 12.683 12.393 1.00 22.74 H new ATOM 0 HG1 THR A 820 33.012 12.823 10.969 1.00 24.38 H new ATOM 0 HG21 THR A 820 36.206 13.716 11.151 1.00 32.08 H new ATOM 0 HG22 THR A 820 36.779 12.343 11.694 1.00 32.08 H new ATOM 0 HG23 THR A 820 36.303 12.462 10.188 1.00 32.08 H new ATOM 1004 N SER A 821 35.712 10.026 13.424 1.00 19.50 N ATOM 1005 CA SER A 821 36.769 9.359 14.193 1.00 22.42 C ATOM 1006 C SER A 821 36.910 7.898 13.789 1.00 22.76 C ATOM 1007 O SER A 821 38.052 7.382 13.700 1.00 21.89 O ATOM 1008 CB SER A 821 36.539 9.485 15.704 1.00 21.84 C ATOM 1009 OG SER A 821 36.601 10.880 16.137 1.00 24.22 O ATOM 0 H SER A 821 35.057 10.324 13.894 1.00 19.50 H new ATOM 0 HA SER A 821 37.601 9.812 13.983 1.00 22.42 H new ATOM 0 HB2 SER A 821 35.674 9.111 15.934 1.00 21.84 H new ATOM 0 HB3 SER A 821 37.207 8.967 16.179 1.00 21.84 H new ATOM 0 HG SER A 821 35.893 11.274 15.916 1.00 24.22 H new ATOM 1010 N LEU A 822 35.792 7.228 13.582 1.00 22.40 N ATOM 1011 CA LEU A 822 35.837 5.842 13.093 1.00 23.75 C ATOM 1012 C LEU A 822 36.394 5.736 11.719 1.00 27.23 C ATOM 1013 O LEU A 822 37.202 4.821 11.385 1.00 26.36 O ATOM 1014 CB LEU A 822 34.425 5.263 13.076 1.00 24.51 C ATOM 1015 CG LEU A 822 33.926 4.520 14.237 1.00 26.15 C ATOM 1016 CD1 LEU A 822 32.458 4.133 14.002 1.00 23.74 C ATOM 1017 CD2 LEU A 822 34.775 3.275 14.544 1.00 23.86 C ATOM 0 H LEU A 822 35.002 7.542 13.713 1.00 22.40 H new ATOM 0 HA LEU A 822 36.417 5.351 13.695 1.00 23.75 H new ATOM 0 HB2 LEU A 822 33.813 5.999 12.919 1.00 24.51 H new ATOM 0 HB3 LEU A 822 34.363 4.674 12.308 1.00 24.51 H new ATOM 0 HG LEU A 822 33.992 5.098 15.013 1.00 26.15 H new ATOM 0 HD11 LEU A 822 32.126 3.641 14.769 1.00 23.74 H new ATOM 0 HD12 LEU A 822 31.927 4.936 13.879 1.00 23.74 H new ATOM 0 HD13 LEU A 822 32.392 3.578 13.209 1.00 23.74 H new ATOM 0 HD21 LEU A 822 34.410 2.816 15.317 1.00 23.86 H new ATOM 0 HD22 LEU A 822 34.764 2.679 13.779 1.00 23.86 H new ATOM 0 HD23 LEU A 822 35.688 3.544 14.730 1.00 23.86 H new ATOM 1018 N ASN A 823 35.979 6.646 10.863 1.00 25.20 N ATOM 1019 CA ASN A 823 36.451 6.686 9.457 1.00 26.55 C ATOM 1020 C ASN A 823 37.954 6.890 9.405 1.00 27.79 C ATOM 1021 O ASN A 823 38.617 6.242 8.565 1.00 30.47 O ATOM 1022 CB ASN A 823 35.703 7.742 8.619 1.00 30.10 C ATOM 1023 CG ASN A 823 36.244 7.872 7.180 1.00 33.18 C ATOM 1024 OD1 ASN A 823 36.777 8.918 6.770 1.00 45.98 O ATOM 1025 ND2 ASN A 823 36.089 6.848 6.434 1.00 30.83 N ATOM 0 H ASN A 823 35.417 7.265 11.062 1.00 25.20 H new ATOM 0 HA ASN A 823 36.248 5.826 9.056 1.00 26.55 H new ATOM 0 HB2 ASN A 823 34.761 7.511 8.585 1.00 30.10 H new ATOM 0 HB3 ASN A 823 35.768 8.603 9.062 1.00 30.10 H new ATOM 0 HD21 ASN A 823 36.357 6.867 5.617 1.00 30.83 H new ATOM 0 HD22 ASN A 823 35.716 6.140 6.748 1.00 30.83 H new ATOM 1026 N GLU A 824 38.498 7.724 10.294 1.00 27.09 N ATOM 1027 CA GLU A 824 39.894 8.096 10.281 1.00 29.00 C ATOM 1028 C GLU A 824 40.730 7.082 11.150 1.00 28.55 C ATOM 1029 O GLU A 824 41.888 7.292 11.342 1.00 27.36 O ATOM 1030 CB GLU A 824 40.081 9.563 10.704 1.00 34.43 C ATOM 1031 CG GLU A 824 39.530 10.512 9.598 1.00 41.39 C ATOM 1032 CD GLU A 824 39.464 12.038 9.928 1.00 62.01 C ATOM 1033 OE1 GLU A 824 39.912 12.469 11.023 1.00 70.55 O ATOM 1034 OE2 GLU A 824 38.950 12.846 9.069 1.00 71.40 O ATOM 0 H GLU A 824 38.049 8.091 10.929 1.00 27.09 H new ATOM 0 HA GLU A 824 40.235 8.039 9.375 1.00 29.00 H new ATOM 0 HB2 GLU A 824 39.619 9.727 11.541 1.00 34.43 H new ATOM 0 HB3 GLU A 824 41.021 9.746 10.858 1.00 34.43 H new ATOM 0 HG2 GLU A 824 40.079 10.400 8.806 1.00 41.39 H new ATOM 0 HG3 GLU A 824 38.635 10.216 9.367 1.00 41.39 H new ATOM 1035 N GLN A 825 40.106 6.027 11.631 1.00 22.62 N ATOM 1036 CA GLN A 825 40.765 4.985 12.470 1.00 25.82 C ATOM 1037 C GLN A 825 41.432 5.607 13.668 1.00 28.00 C ATOM 1038 O GLN A 825 42.537 5.257 13.971 1.00 28.96 O ATOM 1039 CB GLN A 825 41.790 4.185 11.628 1.00 27.81 C ATOM 1040 CG GLN A 825 41.171 3.378 10.507 1.00 30.86 C ATOM 1041 CD GLN A 825 42.077 2.948 9.352 1.00 31.83 C ATOM 1042 OE1 GLN A 825 42.749 3.756 8.728 1.00 33.01 O ATOM 1043 NE2 GLN A 825 41.932 1.703 8.958 1.00 30.49 N ATOM 0 H GLN A 825 39.272 5.874 11.489 1.00 22.62 H new ATOM 0 HA GLN A 825 40.084 4.373 12.789 1.00 25.82 H new ATOM 0 HB2 GLN A 825 42.436 4.802 11.251 1.00 27.81 H new ATOM 0 HB3 GLN A 825 42.278 3.586 12.214 1.00 27.81 H new ATOM 0 HG2 GLN A 825 40.783 2.578 10.895 1.00 30.86 H new ATOM 0 HG3 GLN A 825 40.440 3.896 10.135 1.00 30.86 H new ATOM 0 HE21 GLN A 825 41.452 1.159 9.420 1.00 30.49 H new ATOM 0 HE22 GLN A 825 42.317 1.432 8.238 1.00 30.49 H new ATOM 1044 N MET A 826 40.717 6.447 14.427 1.00 23.46 N ATOM 1045 CA AMET A 826 41.270 7.112 15.584 0.53 23.42 C ATOM 1046 CA BMET A 826 41.274 7.129 15.578 0.47 23.83 C ATOM 1047 C MET A 826 41.083 6.310 16.845 1.00 23.54 C ATOM 1048 O MET A 826 41.688 6.609 17.847 1.00 26.82 O ATOM 1049 CB AMET A 826 40.607 8.500 15.787 0.53 28.30 C ATOM 1050 CB BMET A 826 40.636 8.543 15.778 0.47 28.94 C ATOM 1051 CG AMET A 826 40.851 9.417 14.602 0.53 31.78 C ATOM 1052 CG BMET A 826 40.848 9.512 14.605 0.47 33.45 C ATOM 1053 SD AMET A 826 42.544 9.989 14.463 0.53 37.75 S ATOM 1054 SD BMET A 826 40.380 11.221 15.053 0.47 40.97 S ATOM 1055 CE AMET A 826 42.938 10.657 16.075 0.53 39.69 C ATOM 1056 CE BMET A 826 39.757 11.908 13.538 0.47 38.70 C ATOM 0 H AMET A 826 39.893 6.640 14.274 0.53 23.46 H new ATOM 0 H BMET A 826 39.890 6.632 14.279 0.47 23.46 H new ATOM 0 HA AMET A 826 42.220 7.212 15.414 0.53 23.83 H new ATOM 0 HA BMET A 826 42.222 7.238 15.406 0.47 23.83 H new ATOM 0 HB2AMET A 826 39.653 8.387 15.918 0.53 28.94 H new ATOM 0 HB2BMET A 826 39.683 8.437 15.926 0.47 28.94 H new ATOM 0 HB3AMET A 826 40.957 8.912 16.593 0.53 28.94 H new ATOM 0 HB3BMET A 826 41.006 8.941 16.582 0.47 28.94 H new ATOM 0 HG2AMET A 826 40.609 8.950 13.787 0.53 33.45 H new ATOM 0 HG2BMET A 826 41.778 9.492 14.331 0.47 33.45 H new ATOM 0 HG3AMET A 826 40.264 10.186 14.673 0.53 33.45 H new ATOM 0 HG3BMET A 826 40.322 9.220 13.844 0.47 33.45 H new ATOM 0 HE1AMET A 826 43.706 11.245 16.003 0.53 38.70 H new ATOM 0 HE1BMET A 826 39.395 12.792 13.708 0.47 38.70 H new ATOM 0 HE2AMET A 826 42.179 11.157 16.412 0.53 38.70 H new ATOM 0 HE2BMET A 826 40.477 11.973 12.892 0.47 38.70 H new ATOM 0 HE3AMET A 826 43.143 9.931 16.685 0.53 38.70 H new ATOM 0 HE3BMET A 826 39.058 11.335 13.186 0.47 38.70 H new ATOM 1057 N TYR A 827 40.230 5.313 16.849 1.00 20.42 N ATOM 1058 CA TYR A 827 40.027 4.526 18.063 1.00 20.32 C ATOM 1059 C TYR A 827 40.874 3.245 17.948 1.00 23.40 C ATOM 1060 O TYR A 827 40.831 2.583 16.922 1.00 26.35 O ATOM 1061 CB TYR A 827 38.607 4.089 18.264 1.00 20.39 C ATOM 1062 CG TYR A 827 37.607 5.233 18.372 1.00 17.78 C ATOM 1063 CD1 TYR A 827 37.664 6.104 19.433 1.00 18.16 C ATOM 1064 CD2 TYR A 827 36.667 5.450 17.365 1.00 18.47 C ATOM 1065 CE1 TYR A 827 36.781 7.182 19.514 1.00 19.11 C ATOM 1066 CE2 TYR A 827 35.745 6.459 17.462 1.00 21.17 C ATOM 1067 CZ TYR A 827 35.800 7.330 18.537 1.00 19.35 C ATOM 1068 OH TYR A 827 34.867 8.357 18.650 1.00 21.31 O ATOM 0 H TYR A 827 39.758 5.069 16.173 1.00 20.42 H new ATOM 0 HA TYR A 827 40.277 5.092 18.810 1.00 20.32 H new ATOM 0 HB2 TYR A 827 38.348 3.516 17.525 1.00 20.39 H new ATOM 0 HB3 TYR A 827 38.556 3.552 19.070 1.00 20.39 H new ATOM 0 HD1 TYR A 827 38.296 5.974 20.103 1.00 18.16 H new ATOM 0 HD2 TYR A 827 36.666 4.900 16.615 1.00 18.47 H new ATOM 0 HE1 TYR A 827 36.847 7.794 20.212 1.00 19.11 H new ATOM 0 HE2 TYR A 827 35.088 6.558 16.811 1.00 21.17 H new ATOM 0 HH TYR A 827 34.854 8.638 19.441 1.00 21.31 H new ATOM 1069 N THR A 828 41.667 2.972 18.981 1.00 23.32 N ATOM 1070 CA THR A 828 42.491 1.781 19.006 1.00 21.21 C ATOM 1071 C THR A 828 41.830 0.632 19.720 1.00 21.04 C ATOM 1072 O THR A 828 42.194 -0.509 19.474 1.00 20.04 O ATOM 1073 CB THR A 828 43.854 2.054 19.629 1.00 25.65 C ATOM 1074 OG1 THR A 828 43.687 2.504 20.967 1.00 26.87 O ATOM 1075 CG2 THR A 828 44.636 3.077 18.834 1.00 28.41 C ATOM 0 H THR A 828 41.739 3.470 19.678 1.00 23.32 H new ATOM 0 HA THR A 828 42.612 1.526 18.078 1.00 21.21 H new ATOM 0 HB THR A 828 44.359 1.226 19.622 1.00 25.65 H new ATOM 0 HG1 THR A 828 44.440 2.652 21.309 1.00 26.87 H new ATOM 0 HG21 THR A 828 45.496 3.227 19.257 1.00 28.41 H new ATOM 0 HG22 THR A 828 44.773 2.750 17.931 1.00 28.41 H new ATOM 0 HG23 THR A 828 44.141 3.911 18.804 1.00 28.41 H new ATOM 1076 N ARG A 829 40.844 0.904 20.596 1.00 18.90 N ATOM 1077 CA AARG A 829 40.109 -0.137 21.272 0.23 20.37 C ATOM 1078 CA BARG A 829 40.128 -0.129 21.274 0.77 20.01 C ATOM 1079 C ARG A 829 38.625 0.192 21.256 1.00 20.59 C ATOM 1080 O ARG A 829 38.258 1.359 21.185 1.00 19.25 O ATOM 1081 CB AARG A 829 40.580 -0.285 22.719 0.23 22.14 C ATOM 1082 CB BARG A 829 40.543 -0.245 22.733 0.77 23.33 C ATOM 1083 CG AARG A 829 41.987 -0.893 22.798 0.23 22.84 C ATOM 1084 CG BARG A 829 41.955 -0.933 22.845 0.77 23.95 C ATOM 1085 CD AARG A 829 42.453 -1.170 24.205 0.23 24.31 C ATOM 1086 CD BARG A 829 42.471 -0.905 24.236 0.77 27.00 C ATOM 1087 NE AARG A 829 43.593 -2.088 24.152 0.23 25.34 N ATOM 1088 NE BARG A 829 43.941 -1.112 24.259 0.77 29.16 N ATOM 1089 CZ AARG A 829 44.833 -1.736 23.829 0.23 26.54 C ATOM 1090 CZ BARG A 829 44.595 -2.277 24.299 0.77 33.76 C ATOM 1091 NH1AARG A 829 45.121 -0.473 23.588 0.23 25.27 N ATOM 1092 NH1BARG A 829 43.975 -3.492 24.328 0.77 32.88 N ATOM 1093 NH2AARG A 829 45.796 -2.647 23.771 0.23 27.59 N ATOM 1094 NH2BARG A 829 45.938 -2.205 24.308 0.77 32.20 N ATOM 0 H AARG A 829 40.596 1.701 20.803 0.23 18.90 H new ATOM 0 H BARG A 829 40.590 1.701 20.797 0.77 18.90 H new ATOM 0 HA AARG A 829 40.267 -0.974 20.807 0.23 20.01 H new ATOM 0 HA BARG A 829 40.326 -0.960 20.815 0.77 20.01 H new ATOM 0 HB2AARG A 829 40.578 0.584 23.151 0.23 23.33 H new ATOM 0 HB2BARG A 829 40.572 0.636 23.139 0.77 23.33 H new ATOM 0 HB3AARG A 829 39.957 -0.846 23.207 0.23 23.33 H new ATOM 0 HB3BARG A 829 39.884 -0.762 23.223 0.77 23.33 H new ATOM 0 HG2AARG A 829 42.001 -1.721 22.293 0.23 23.95 H new ATOM 0 HG2BARG A 829 41.892 -1.852 22.541 0.77 23.95 H new ATOM 0 HG3AARG A 829 42.615 -0.290 22.371 0.23 23.95 H new ATOM 0 HG3BARG A 829 42.582 -0.483 22.258 0.77 23.95 H new ATOM 0 HD2AARG A 829 42.708 -0.343 24.643 0.23 27.00 H new ATOM 0 HD2BARG A 829 42.254 -0.054 24.649 0.77 27.00 H new ATOM 0 HD3AARG A 829 41.733 -1.558 24.727 0.23 27.00 H new ATOM 0 HD3BARG A 829 42.035 -1.595 24.761 0.77 27.00 H new ATOM 0 HE AARG A 829 43.450 -2.914 24.344 0.23 29.16 H new ATOM 0 HE BARG A 829 44.426 -0.402 24.245 0.77 29.16 H new ATOM 0 HH11AARG A 829 44.506 0.126 23.640 0.23 32.88 H new ATOM 0 HH11BARG A 829 43.116 -3.537 24.321 0.77 32.88 H new ATOM 0 HH12AARG A 829 45.924 -0.247 23.379 0.23 32.88 H new ATOM 0 HH12BARG A 829 44.443 -4.213 24.353 0.77 32.88 H new ATOM 0 HH21AARG A 829 45.619 -3.471 23.943 0.23 32.20 H new ATOM 0 HH21BARG A 829 46.328 -1.439 24.289 0.77 32.20 H new ATOM 0 HH22AARG A 829 46.597 -2.414 23.561 0.23 32.20 H new ATOM 0 HH22BARG A 829 46.407 -2.925 24.333 0.77 32.20 H new ATOM 1095 N VAL A 830 37.832 -0.829 21.411 1.00 18.14 N ATOM 1096 CA VAL A 830 36.371 -0.653 21.494 1.00 18.77 C ATOM 1097 C VAL A 830 35.988 0.401 22.568 1.00 19.86 C ATOM 1098 O VAL A 830 35.044 1.238 22.352 1.00 17.81 O ATOM 1099 CB VAL A 830 35.618 -1.932 21.702 1.00 16.97 C ATOM 1100 CG1 VAL A 830 34.143 -1.692 22.004 1.00 19.52 C ATOM 1101 CG2 VAL A 830 35.728 -2.807 20.483 1.00 21.13 C ATOM 0 H VAL A 830 38.099 -1.644 21.473 1.00 18.14 H new ATOM 0 HA VAL A 830 36.099 -0.322 20.624 1.00 18.77 H new ATOM 0 HB VAL A 830 36.018 -2.370 22.469 1.00 16.97 H new ATOM 0 HG11 VAL A 830 33.696 -2.543 22.131 1.00 19.52 H new ATOM 0 HG12 VAL A 830 34.060 -1.160 22.811 1.00 19.52 H new ATOM 0 HG13 VAL A 830 33.733 -1.220 21.262 1.00 19.52 H new ATOM 0 HG21 VAL A 830 35.237 -3.631 20.630 1.00 21.13 H new ATOM 0 HG22 VAL A 830 35.357 -2.343 19.716 1.00 21.13 H new ATOM 0 HG23 VAL A 830 36.661 -3.013 20.315 1.00 21.13 H new ATOM 1102 N GLU A 831 36.699 0.392 23.695 1.00 17.47 N ATOM 1103 CA GLU A 831 36.445 1.331 24.774 1.00 21.31 C ATOM 1104 C GLU A 831 36.406 2.822 24.325 1.00 18.41 C ATOM 1105 O GLU A 831 35.612 3.615 24.837 1.00 19.51 O ATOM 1106 CB GLU A 831 37.584 1.158 25.756 1.00 25.85 C ATOM 1107 CG GLU A 831 37.539 1.965 26.979 1.00 35.67 C ATOM 1108 CD GLU A 831 38.731 1.568 27.885 1.00 46.75 C ATOM 1109 OE1 GLU A 831 39.891 1.430 27.337 1.00 48.58 O ATOM 1110 OE2 GLU A 831 38.431 1.340 29.096 1.00 52.22 O ATOM 0 H GLU A 831 37.340 -0.160 23.851 1.00 17.47 H new ATOM 0 HA GLU A 831 35.569 1.140 25.145 1.00 21.31 H new ATOM 0 HB2 GLU A 831 37.621 0.223 26.013 1.00 25.85 H new ATOM 0 HB3 GLU A 831 38.413 1.358 25.294 1.00 25.85 H new ATOM 0 HG2 GLU A 831 37.584 2.909 26.760 1.00 35.67 H new ATOM 0 HG3 GLU A 831 36.701 1.821 27.445 1.00 35.67 H new ATOM 1111 N GLY A 832 37.303 3.196 23.439 1.00 18.08 N ATOM 1112 CA GLY A 832 37.397 4.548 22.831 1.00 20.80 C ATOM 1113 C GLY A 832 36.082 4.976 22.229 1.00 20.06 C ATOM 1114 O GLY A 832 35.561 6.105 22.526 1.00 18.08 O ATOM 0 H GLY A 832 37.910 2.660 23.149 1.00 18.08 H new ATOM 0 HA2 GLY A 832 37.669 5.189 23.506 1.00 20.80 H new ATOM 0 HA3 GLY A 832 38.083 4.549 22.146 1.00 20.80 H new ATOM 1115 N PHE A 833 35.514 4.093 21.429 1.00 18.98 N ATOM 1116 CA PHE A 833 34.301 4.361 20.698 1.00 18.15 C ATOM 1117 C PHE A 833 33.133 4.426 21.698 1.00 17.44 C ATOM 1118 O PHE A 833 32.310 5.342 21.692 1.00 16.19 O ATOM 1119 CB PHE A 833 34.081 3.294 19.615 1.00 17.06 C ATOM 1120 CG PHE A 833 32.694 3.256 19.060 1.00 17.31 C ATOM 1121 CD1 PHE A 833 32.327 4.173 18.076 1.00 17.72 C ATOM 1122 CD2 PHE A 833 31.746 2.307 19.491 1.00 17.28 C ATOM 1123 CE1 PHE A 833 31.016 4.170 17.599 1.00 17.93 C ATOM 1124 CE2 PHE A 833 30.419 2.312 18.996 1.00 18.43 C ATOM 1125 CZ PHE A 833 30.093 3.233 18.014 1.00 19.86 C ATOM 0 H PHE A 833 35.832 3.305 21.295 1.00 18.98 H new ATOM 0 HA PHE A 833 34.363 5.213 20.239 1.00 18.15 H new ATOM 0 HB2 PHE A 833 34.704 3.452 18.889 1.00 17.06 H new ATOM 0 HB3 PHE A 833 34.293 2.423 19.986 1.00 17.06 H new ATOM 0 HD1 PHE A 833 32.948 4.779 17.742 1.00 17.72 H new ATOM 0 HD2 PHE A 833 31.997 1.664 20.114 1.00 17.28 H new ATOM 0 HE1 PHE A 833 30.757 4.818 16.984 1.00 17.93 H new ATOM 0 HE2 PHE A 833 29.785 1.714 19.321 1.00 18.43 H new ATOM 0 HZ PHE A 833 29.245 3.219 17.632 1.00 19.86 H new ATOM 1126 N VAL A 834 33.035 3.432 22.584 1.00 17.69 N ATOM 1127 CA VAL A 834 31.951 3.378 23.533 1.00 17.28 C ATOM 1128 C VAL A 834 31.978 4.544 24.474 1.00 17.03 C ATOM 1129 O VAL A 834 30.926 5.110 24.773 1.00 16.94 O ATOM 1130 CB VAL A 834 31.897 2.009 24.314 1.00 17.50 C ATOM 1131 CG1 VAL A 834 30.861 2.022 25.421 1.00 19.38 C ATOM 1132 CG2 VAL A 834 31.616 0.900 23.300 1.00 18.28 C ATOM 0 H VAL A 834 33.594 2.782 22.643 1.00 17.69 H new ATOM 0 HA VAL A 834 31.133 3.436 23.016 1.00 17.28 H new ATOM 0 HB VAL A 834 32.749 1.854 24.752 1.00 17.50 H new ATOM 0 HG11 VAL A 834 30.861 1.164 25.874 1.00 19.38 H new ATOM 0 HG12 VAL A 834 31.075 2.723 26.056 1.00 19.38 H new ATOM 0 HG13 VAL A 834 29.984 2.187 25.042 1.00 19.38 H new ATOM 0 HG21 VAL A 834 31.578 0.045 23.757 1.00 18.28 H new ATOM 0 HG22 VAL A 834 30.768 1.070 22.861 1.00 18.28 H new ATOM 0 HG23 VAL A 834 32.324 0.880 22.637 1.00 18.28 H new ATOM 1133 N GLN A 835 33.146 4.929 24.950 1.00 18.28 N ATOM 1134 CA GLN A 835 33.262 6.123 25.811 1.00 19.07 C ATOM 1135 C GLN A 835 32.710 7.395 25.139 1.00 17.91 C ATOM 1136 O GLN A 835 31.992 8.157 25.799 1.00 18.42 O ATOM 1137 CB GLN A 835 34.687 6.407 26.277 1.00 20.94 C ATOM 1138 CG GLN A 835 35.021 5.414 27.379 1.00 23.90 C ATOM 1139 CD GLN A 835 36.505 5.384 27.778 1.00 30.71 C ATOM 1140 OE1 GLN A 835 37.389 5.916 27.082 1.00 32.51 O ATOM 1141 NE2 GLN A 835 36.776 4.671 28.900 1.00 36.34 N ATOM 0 H GLN A 835 33.889 4.524 24.795 1.00 18.28 H new ATOM 0 HA GLN A 835 32.722 5.903 26.586 1.00 19.07 H new ATOM 0 HB2 GLN A 835 35.310 6.318 25.539 1.00 20.94 H new ATOM 0 HB3 GLN A 835 34.763 7.317 26.605 1.00 20.94 H new ATOM 0 HG2 GLN A 835 34.491 5.627 28.163 1.00 23.90 H new ATOM 0 HG3 GLN A 835 34.757 4.526 27.091 1.00 23.90 H new ATOM 0 HE21 GLN A 835 36.134 4.320 29.352 1.00 36.34 H new ATOM 0 HE22 GLN A 835 37.590 4.570 29.159 1.00 36.34 H new ATOM 1142 N ASP A 836 33.113 7.684 23.927 1.00 18.65 N ATOM 1143 CA ASP A 836 32.561 8.845 23.179 1.00 18.59 C ATOM 1144 C ASP A 836 31.083 8.735 22.961 1.00 18.37 C ATOM 1145 O ASP A 836 30.380 9.701 23.178 1.00 16.50 O ATOM 1146 CB ASP A 836 33.217 9.017 21.818 1.00 19.39 C ATOM 1147 CG ASP A 836 34.622 9.679 21.900 1.00 21.11 C ATOM 1148 OD1 ASP A 836 35.002 10.143 22.996 1.00 24.11 O ATOM 1149 OD2 ASP A 836 35.315 9.696 20.835 1.00 21.93 O ATOM 0 H ASP A 836 33.706 7.233 23.497 1.00 18.65 H new ATOM 0 HA ASP A 836 32.752 9.615 23.738 1.00 18.59 H new ATOM 0 HB2 ASP A 836 33.298 8.149 21.392 1.00 19.39 H new ATOM 0 HB3 ASP A 836 32.643 9.558 21.254 1.00 19.39 H new ATOM 1150 N MET A 837 30.557 7.570 22.621 1.00 15.28 N ATOM 1151 CA MET A 837 29.106 7.408 22.486 1.00 14.83 C ATOM 1152 C MET A 837 28.383 7.724 23.781 1.00 15.21 C ATOM 1153 O MET A 837 27.382 8.518 23.794 1.00 17.90 O ATOM 1154 CB MET A 837 28.725 6.061 21.946 1.00 15.22 C ATOM 1155 CG MET A 837 29.225 5.762 20.520 1.00 17.88 C ATOM 1156 SD MET A 837 28.338 6.819 19.276 1.00 18.29 S ATOM 1157 CE MET A 837 26.732 6.046 19.229 1.00 18.67 C ATOM 0 H MET A 837 31.015 6.859 22.463 1.00 15.28 H new ATOM 0 HA MET A 837 28.815 8.058 21.828 1.00 14.83 H new ATOM 0 HB2 MET A 837 29.070 5.379 22.544 1.00 15.22 H new ATOM 0 HB3 MET A 837 27.758 5.986 21.957 1.00 15.22 H new ATOM 0 HG2 MET A 837 30.180 5.924 20.467 1.00 17.88 H new ATOM 0 HG3 MET A 837 29.085 4.825 20.313 1.00 17.88 H new ATOM 0 HE1 MET A 837 26.229 6.390 18.474 1.00 18.67 H new ATOM 0 HE2 MET A 837 26.837 5.086 19.136 1.00 18.67 H new ATOM 0 HE3 MET A 837 26.255 6.241 20.051 1.00 18.67 H new ATOM 1158 N ARG A 838 28.853 7.148 24.900 1.00 14.72 N ATOM 1159 CA ARG A 838 28.167 7.367 26.169 1.00 17.46 C ATOM 1160 C ARG A 838 28.261 8.828 26.656 1.00 17.72 C ATOM 1161 O ARG A 838 27.291 9.343 27.298 1.00 18.71 O ATOM 1162 CB ARG A 838 28.752 6.397 27.252 1.00 18.85 C ATOM 1163 CG ARG A 838 28.229 4.986 26.992 1.00 18.45 C ATOM 1164 CD ARG A 838 28.894 3.973 27.945 1.00 19.32 C ATOM 1165 NE ARG A 838 28.200 2.666 27.805 1.00 20.46 N ATOM 1166 CZ ARG A 838 28.661 1.498 28.298 1.00 24.87 C ATOM 1167 NH1 ARG A 838 29.870 1.445 28.865 1.00 24.98 N ATOM 1168 NH2 ARG A 838 27.915 0.384 28.157 1.00 22.33 N ATOM 0 H ARG A 838 29.548 6.643 24.940 1.00 14.72 H new ATOM 0 HA ARG A 838 27.226 7.182 26.026 1.00 17.46 H new ATOM 0 HB2 ARG A 838 29.721 6.406 27.221 1.00 18.85 H new ATOM 0 HB3 ARG A 838 28.494 6.691 28.140 1.00 18.85 H new ATOM 0 HG2 ARG A 838 27.267 4.966 27.112 1.00 18.45 H new ATOM 0 HG3 ARG A 838 28.406 4.735 26.072 1.00 18.45 H new ATOM 0 HD2 ARG A 838 29.836 3.879 27.733 1.00 19.32 H new ATOM 0 HD3 ARG A 838 28.840 4.287 28.861 1.00 19.32 H new ATOM 0 HE ARG A 838 27.452 2.654 27.380 1.00 20.46 H new ATOM 0 HH11 ARG A 838 30.353 2.155 28.915 1.00 24.98 H new ATOM 0 HH12 ARG A 838 30.165 0.701 29.180 1.00 24.98 H new ATOM 0 HH21 ARG A 838 27.155 0.423 27.757 1.00 22.33 H new ATOM 0 HH22 ARG A 838 28.199 -0.366 28.467 1.00 22.33 H new ATOM 1169 N LEU A 839 29.335 9.481 26.255 1.00 17.75 N ATOM 1170 CA LEU A 839 29.583 10.890 26.590 1.00 18.44 C ATOM 1171 C LEU A 839 28.564 11.816 25.929 1.00 18.55 C ATOM 1172 O LEU A 839 28.094 12.807 26.577 1.00 18.24 O ATOM 1173 CB LEU A 839 31.005 11.280 26.155 1.00 20.16 C ATOM 1174 CG LEU A 839 31.474 12.711 26.495 1.00 21.56 C ATOM 1175 CD1 LEU A 839 31.518 12.965 27.979 1.00 22.96 C ATOM 1176 CD2 LEU A 839 32.796 12.983 25.891 1.00 22.83 C ATOM 0 H LEU A 839 29.953 9.124 25.775 1.00 17.75 H new ATOM 0 HA LEU A 839 29.492 10.991 27.550 1.00 18.44 H new ATOM 0 HB2 LEU A 839 31.626 10.655 26.560 1.00 20.16 H new ATOM 0 HB3 LEU A 839 31.070 11.162 25.194 1.00 20.16 H new ATOM 0 HG LEU A 839 30.819 13.319 26.118 1.00 21.56 H new ATOM 0 HD11 LEU A 839 31.817 13.873 28.143 1.00 22.96 H new ATOM 0 HD12 LEU A 839 30.632 12.844 28.355 1.00 22.96 H new ATOM 0 HD13 LEU A 839 32.133 12.342 28.396 1.00 22.96 H new ATOM 0 HD21 LEU A 839 33.075 13.885 26.114 1.00 22.83 H new ATOM 0 HD22 LEU A 839 33.445 12.350 26.235 1.00 22.83 H new ATOM 0 HD23 LEU A 839 32.736 12.893 24.927 1.00 22.83 H new ATOM 1177 N ILE A 840 28.183 11.483 24.706 1.00 17.03 N ATOM 1178 CA ILE A 840 27.075 12.197 24.048 1.00 19.18 C ATOM 1179 C ILE A 840 25.859 12.322 24.959 1.00 18.73 C ATOM 1180 O ILE A 840 25.285 13.406 25.166 1.00 18.33 O ATOM 1181 CB ILE A 840 26.670 11.564 22.709 1.00 19.19 C ATOM 1182 CG1 ILE A 840 27.826 11.628 21.704 1.00 18.04 C ATOM 1183 CG2 ILE A 840 25.381 12.178 22.166 1.00 18.63 C ATOM 1184 CD1 ILE A 840 27.566 10.840 20.425 1.00 20.29 C ATOM 0 H ILE A 840 28.541 10.857 24.237 1.00 17.03 H new ATOM 0 HA ILE A 840 27.413 13.087 23.860 1.00 19.18 H new ATOM 0 HB ILE A 840 26.479 10.625 22.861 1.00 19.19 H new ATOM 0 HG12 ILE A 840 27.995 12.555 21.475 1.00 18.04 H new ATOM 0 HG13 ILE A 840 28.631 11.289 22.126 1.00 18.04 H new ATOM 0 HG21 ILE A 840 25.153 11.758 21.322 1.00 18.63 H new ATOM 0 HG22 ILE A 840 24.662 12.037 22.802 1.00 18.63 H new ATOM 0 HG23 ILE A 840 25.508 13.130 22.029 1.00 18.63 H new ATOM 0 HD11 ILE A 840 28.331 10.920 19.834 1.00 20.29 H new ATOM 0 HD12 ILE A 840 27.424 9.906 20.644 1.00 20.29 H new ATOM 0 HD13 ILE A 840 26.778 11.192 19.983 1.00 20.29 H new ATOM 1185 N PHE A 841 25.404 11.208 25.486 1.00 17.20 N ATOM 1186 CA PHE A 841 24.174 11.219 26.281 1.00 18.81 C ATOM 1187 C PHE A 841 24.378 11.760 27.648 1.00 19.11 C ATOM 1188 O PHE A 841 23.458 12.397 28.190 1.00 21.83 O ATOM 1189 CB PHE A 841 23.526 9.812 26.238 1.00 19.75 C ATOM 1190 CG PHE A 841 23.468 9.258 24.858 1.00 19.59 C ATOM 1191 CD1 PHE A 841 22.770 9.905 23.864 1.00 19.18 C ATOM 1192 CD2 PHE A 841 24.221 8.143 24.516 1.00 19.30 C ATOM 1193 CE1 PHE A 841 22.725 9.397 22.556 1.00 22.05 C ATOM 1194 CE2 PHE A 841 24.189 7.619 23.218 1.00 21.24 C ATOM 1195 CZ PHE A 841 23.481 8.269 22.235 1.00 20.34 C ATOM 0 H PHE A 841 25.779 10.438 25.404 1.00 17.20 H new ATOM 0 HA PHE A 841 23.543 11.841 25.886 1.00 18.81 H new ATOM 0 HB2 PHE A 841 24.031 9.208 26.805 1.00 19.75 H new ATOM 0 HB3 PHE A 841 22.628 9.860 26.603 1.00 19.75 H new ATOM 0 HD1 PHE A 841 22.319 10.694 24.063 1.00 19.18 H new ATOM 0 HD2 PHE A 841 24.756 7.737 25.160 1.00 19.30 H new ATOM 0 HE1 PHE A 841 22.197 9.808 21.910 1.00 22.05 H new ATOM 0 HE2 PHE A 841 24.646 6.833 23.021 1.00 21.24 H new ATOM 0 HZ PHE A 841 23.506 7.958 21.359 1.00 20.34 H new ATOM 1196 N HIS A 842 25.539 11.521 28.237 1.00 17.36 N ATOM 1197 CA HIS A 842 25.851 12.031 29.578 1.00 21.49 C ATOM 1198 C HIS A 842 25.895 13.577 29.555 1.00 21.91 C ATOM 1199 O HIS A 842 25.342 14.225 30.470 1.00 21.74 O ATOM 1200 CB HIS A 842 27.170 11.526 30.086 1.00 24.54 C ATOM 1201 CG HIS A 842 27.368 11.783 31.536 1.00 30.45 C ATOM 1202 ND1 HIS A 842 28.221 12.747 32.013 1.00 38.37 N ATOM 1203 CD2 HIS A 842 26.795 11.218 32.630 1.00 40.93 C ATOM 1204 CE1 HIS A 842 28.196 12.753 33.335 1.00 37.21 C ATOM 1205 NE2 HIS A 842 27.340 11.837 33.738 1.00 39.96 N ATOM 0 H HIS A 842 26.171 11.061 27.878 1.00 17.36 H new ATOM 0 HA HIS A 842 25.152 11.713 30.171 1.00 21.49 H new ATOM 0 HB2 HIS A 842 27.232 10.572 29.920 1.00 24.54 H new ATOM 0 HB3 HIS A 842 27.887 11.948 29.587 1.00 24.54 H new ATOM 0 HD1 HIS A 842 28.700 13.269 31.525 1.00 38.37 H new ATOM 0 HD2 HIS A 842 26.156 10.542 32.633 1.00 40.93 H new ATOM 0 HE1 HIS A 842 28.697 13.309 33.886 1.00 37.21 H new ATOM 1206 N ASN A 843 26.495 14.140 28.508 1.00 18.04 N ATOM 1207 CA ASN A 843 26.593 15.619 28.378 1.00 19.29 C ATOM 1208 C ASN A 843 25.189 16.200 28.290 1.00 19.51 C ATOM 1209 O ASN A 843 24.880 17.202 28.952 1.00 22.89 O ATOM 1210 CB ASN A 843 27.388 16.053 27.160 1.00 18.28 C ATOM 1211 CG ASN A 843 28.876 15.864 27.326 1.00 17.63 C ATOM 1212 OD1 ASN A 843 29.386 15.613 28.414 1.00 20.09 O ATOM 1213 ND2 ASN A 843 29.567 16.014 26.240 1.00 19.32 N ATOM 0 H ASN A 843 26.852 13.699 27.862 1.00 18.04 H new ATOM 0 HA ASN A 843 27.063 15.949 29.160 1.00 19.29 H new ATOM 0 HB2 ASN A 843 27.088 15.549 26.388 1.00 18.28 H new ATOM 0 HB3 ASN A 843 27.205 16.988 26.977 1.00 18.28 H new ATOM 0 HD21 ASN A 843 30.423 15.938 26.261 1.00 19.32 H new ATOM 0 HD22 ASN A 843 29.169 16.189 25.498 1.00 19.32 H new ATOM 1214 N HIS A 844 24.312 15.559 27.532 1.00 18.96 N ATOM 1215 CA HIS A 844 22.943 15.988 27.333 1.00 22.79 C ATOM 1216 C HIS A 844 22.155 15.976 28.643 1.00 21.21 C ATOM 1217 O HIS A 844 21.541 16.994 29.009 1.00 22.59 O ATOM 1218 CB HIS A 844 22.282 15.132 26.293 1.00 20.34 C ATOM 1219 CG HIS A 844 20.838 15.432 26.043 1.00 19.40 C ATOM 1220 ND1 HIS A 844 20.426 16.247 25.011 1.00 22.80 N ATOM 1221 CD2 HIS A 844 19.716 15.028 26.671 1.00 18.88 C ATOM 1222 CE1 HIS A 844 19.105 16.259 24.975 1.00 21.15 C ATOM 1223 NE2 HIS A 844 18.658 15.629 26.038 1.00 20.77 N ATOM 0 H HIS A 844 24.507 14.838 27.106 1.00 18.96 H new ATOM 0 HA HIS A 844 22.954 16.905 27.017 1.00 22.79 H new ATOM 0 HB2 HIS A 844 22.767 15.230 25.459 1.00 20.34 H new ATOM 0 HB3 HIS A 844 22.363 14.203 26.561 1.00 20.34 H new ATOM 0 HD2 HIS A 844 19.668 14.450 27.398 1.00 18.88 H new ATOM 0 HE1 HIS A 844 18.582 16.647 24.311 1.00 21.15 H new ATOM 0 HE2 HIS A 844 17.838 15.599 26.294 1.00 20.77 H new ATOM 1224 N LYS A 845 22.278 14.905 29.404 1.00 22.97 N ATOM 1225 CA ALYS A 845 21.586 14.803 30.714 0.50 25.67 C ATOM 1226 CA BLYS A 845 21.567 14.816 30.675 0.50 26.06 C ATOM 1227 C LYS A 845 22.030 15.855 31.681 1.00 25.58 C ATOM 1228 O LYS A 845 21.218 16.480 32.373 1.00 29.61 O ATOM 1229 CB ALYS A 845 21.864 13.461 31.375 0.50 26.07 C ATOM 1230 CB BLYS A 845 21.761 13.432 31.247 0.50 26.33 C ATOM 1231 CG ALYS A 845 21.206 12.321 30.669 0.50 31.54 C ATOM 1232 CG BLYS A 845 21.137 13.260 32.600 0.50 32.18 C ATOM 1233 CD ALYS A 845 21.813 10.959 31.032 0.50 36.35 C ATOM 1234 CD BLYS A 845 22.228 13.102 33.593 0.50 34.14 C ATOM 1235 CE ALYS A 845 21.067 10.340 32.192 0.50 38.89 C ATOM 1236 CE BLYS A 845 22.233 11.664 34.025 0.50 35.12 C ATOM 1237 NZ ALYS A 845 21.212 8.850 32.101 0.50 41.80 N ATOM 1238 NZ BLYS A 845 21.157 11.544 35.034 0.50 35.80 N ATOM 0 H ALYS A 845 22.752 14.218 29.196 0.50 22.97 H new ATOM 0 H BLYS A 845 22.762 14.221 29.210 0.50 22.97 H new ATOM 0 HA ALYS A 845 20.643 14.913 30.516 0.50 26.06 H new ATOM 0 HA BLYS A 845 20.629 14.991 30.502 0.50 26.06 H new ATOM 0 HB2ALYS A 845 22.822 13.310 31.401 0.50 26.33 H new ATOM 0 HB2BLYS A 845 21.382 12.780 30.637 0.50 26.33 H new ATOM 0 HB3ALYS A 845 21.556 13.488 32.294 0.50 26.33 H new ATOM 0 HB3BLYS A 845 22.711 13.244 31.309 0.50 26.33 H new ATOM 0 HG2ALYS A 845 20.260 12.316 30.885 0.50 32.18 H new ATOM 0 HG2BLYS A 845 20.587 14.028 32.820 0.50 32.18 H new ATOM 0 HG3ALYS A 845 21.277 12.456 29.711 0.50 32.18 H new ATOM 0 HG3BLYS A 845 20.556 12.484 32.609 0.50 32.18 H new ATOM 0 HD2ALYS A 845 21.777 10.367 30.264 0.50 34.14 H new ATOM 0 HD2BLYS A 845 23.083 13.345 33.204 0.50 34.14 H new ATOM 0 HD3ALYS A 845 22.749 11.067 31.263 0.50 34.14 H new ATOM 0 HD3BLYS A 845 22.086 13.687 34.353 0.50 34.14 H new ATOM 0 HE2ALYS A 845 21.423 10.664 33.034 0.50 35.12 H new ATOM 0 HE2BLYS A 845 22.072 11.074 33.272 0.50 35.12 H new ATOM 0 HE3ALYS A 845 20.130 10.591 32.164 0.50 35.12 H new ATOM 0 HE3BLYS A 845 23.092 11.416 34.401 0.50 35.12 H new ATOM 0 HZ1ALYS A 845 20.778 8.467 32.777 0.50 35.80 H new ATOM 0 HZ1BLYS A 845 21.346 10.877 35.592 0.50 35.80 H new ATOM 0 HZ2ALYS A 845 20.870 8.565 31.330 0.50 35.80 H new ATOM 0 HZ2BLYS A 845 21.093 12.304 35.492 0.50 35.80 H new ATOM 0 HZ3ALYS A 845 22.074 8.632 32.141 0.50 35.80 H new ATOM 0 HZ3BLYS A 845 20.384 11.378 34.626 0.50 35.80 H new ATOM 1239 N GLU A 846 23.306 16.044 31.760 1.00 26.23 N ATOM 1240 CA GLU A 846 23.833 17.066 32.656 1.00 29.41 C ATOM 1241 C GLU A 846 23.408 18.490 32.272 1.00 27.56 C ATOM 1242 O GLU A 846 23.090 19.295 33.151 1.00 32.76 O ATOM 1243 CB GLU A 846 25.332 16.976 32.771 1.00 32.68 C ATOM 1244 CG GLU A 846 25.827 15.654 33.416 1.00 36.61 C ATOM 1245 CD GLU A 846 25.253 15.468 34.833 1.00 48.78 C ATOM 1246 OE1 GLU A 846 25.666 16.258 35.714 1.00 50.46 O ATOM 1247 OE2 GLU A 846 24.373 14.581 35.026 1.00 46.36 O ATOM 0 H GLU A 846 23.897 15.605 31.315 1.00 26.23 H new ATOM 0 HA GLU A 846 23.440 16.882 33.524 1.00 29.41 H new ATOM 0 HB2 GLU A 846 25.722 17.062 31.887 1.00 32.68 H new ATOM 0 HB3 GLU A 846 25.654 17.724 33.297 1.00 32.68 H new ATOM 0 HG2 GLU A 846 25.567 14.904 32.859 1.00 36.61 H new ATOM 0 HG3 GLU A 846 26.796 15.655 33.456 1.00 36.61 H new ATOM 1248 N PHE A 847 23.386 18.778 30.984 1.00 23.25 N ATOM 1249 CA PHE A 847 23.113 20.164 30.533 1.00 25.79 C ATOM 1250 C PHE A 847 21.644 20.533 30.697 1.00 26.30 C ATOM 1251 O PHE A 847 21.313 21.653 31.174 1.00 27.17 O ATOM 1252 CB PHE A 847 23.528 20.351 29.122 1.00 24.14 C ATOM 1253 CG PHE A 847 23.311 21.758 28.624 1.00 22.89 C ATOM 1254 CD1 PHE A 847 24.128 22.740 29.093 1.00 26.06 C ATOM 1255 CD2 PHE A 847 22.277 22.083 27.758 1.00 23.28 C ATOM 1256 CE1 PHE A 847 24.004 24.092 28.639 1.00 24.20 C ATOM 1257 CE2 PHE A 847 22.093 23.423 27.337 1.00 25.61 C ATOM 1258 CZ PHE A 847 22.985 24.414 27.780 1.00 22.14 C ATOM 0 H PHE A 847 23.522 18.209 30.353 1.00 23.25 H new ATOM 0 HA PHE A 847 23.635 20.756 31.097 1.00 25.79 H new ATOM 0 HB2 PHE A 847 24.467 20.123 29.034 1.00 24.14 H new ATOM 0 HB3 PHE A 847 23.033 19.735 28.560 1.00 24.14 H new ATOM 0 HD1 PHE A 847 24.780 22.528 29.721 1.00 26.06 H new ATOM 0 HD2 PHE A 847 21.702 21.419 27.453 1.00 23.28 H new ATOM 0 HE1 PHE A 847 24.606 24.742 28.922 1.00 24.20 H new ATOM 0 HE2 PHE A 847 21.388 23.645 26.772 1.00 25.61 H new ATOM 0 HZ PHE A 847 22.884 25.292 27.490 1.00 22.14 H new ATOM 1259 N TYR A 848 20.767 19.593 30.331 1.00 21.83 N ATOM 1260 CA TYR A 848 19.351 19.858 30.334 1.00 23.00 C ATOM 1261 C TYR A 848 18.693 19.606 31.676 1.00 31.10 C ATOM 1262 O TYR A 848 17.536 19.967 31.814 1.00 43.20 O ATOM 1263 CB TYR A 848 18.629 19.222 29.161 1.00 22.77 C ATOM 1264 CG TYR A 848 19.010 19.874 27.830 1.00 22.71 C ATOM 1265 CD1 TYR A 848 18.487 21.096 27.447 1.00 21.60 C ATOM 1266 CD2 TYR A 848 19.844 19.274 26.954 1.00 19.60 C ATOM 1267 CE1 TYR A 848 18.837 21.660 26.273 1.00 22.37 C ATOM 1268 CE2 TYR A 848 20.142 19.821 25.743 1.00 22.24 C ATOM 1269 CZ TYR A 848 19.655 21.043 25.433 1.00 23.54 C ATOM 1270 OH TYR A 848 19.990 21.609 24.204 1.00 26.76 O ATOM 0 H TYR A 848 20.984 18.800 30.080 1.00 21.83 H new ATOM 0 HA TYR A 848 19.260 20.814 30.197 1.00 23.00 H new ATOM 0 HB2 TYR A 848 18.839 18.276 29.128 1.00 22.77 H new ATOM 0 HB3 TYR A 848 17.671 19.296 29.294 1.00 22.77 H new ATOM 0 HD1 TYR A 848 17.887 21.534 28.006 1.00 21.60 H new ATOM 0 HD2 TYR A 848 20.228 18.459 27.186 1.00 19.60 H new ATOM 0 HE1 TYR A 848 18.498 22.497 26.049 1.00 22.37 H new ATOM 0 HE2 TYR A 848 20.674 19.359 25.136 1.00 22.24 H new ATOM 0 HH TYR A 848 19.971 22.446 24.266 1.00 26.76 H new ATOM 1271 N ARG A 849 19.410 19.094 32.674 1.00 31.44 N ATOM 1272 CA ARG A 849 18.990 19.134 34.101 1.00 44.23 C ATOM 1273 C ARG A 849 17.541 18.661 34.224 1.00 43.00 C ATOM 1274 O ARG A 849 17.257 17.534 33.909 1.00 46.33 O ATOM 1275 CB ARG A 849 19.077 20.550 34.689 1.00 53.99 C ATOM 1276 CG ARG A 849 20.397 21.240 34.617 1.00 66.59 C ATOM 1277 CD ARG A 849 21.338 20.766 35.670 1.00 73.92 C ATOM 1278 NE ARG A 849 22.371 21.792 35.803 1.00 80.76 N ATOM 1279 CZ ARG A 849 22.575 22.566 36.862 1.00 78.69 C ATOM 1280 NH1 ARG A 849 21.846 22.450 37.962 1.00 79.90 N ATOM 1281 NH2 ARG A 849 23.558 23.456 36.826 1.00 85.90 N ATOM 0 H ARG A 849 20.167 18.705 32.552 1.00 31.44 H new ATOM 0 HA ARG A 849 19.593 18.554 34.592 1.00 44.23 H new ATOM 0 HB2 ARG A 849 18.423 21.104 34.235 1.00 53.99 H new ATOM 0 HB3 ARG A 849 18.812 20.505 35.621 1.00 53.99 H new ATOM 0 HG2 ARG A 849 20.791 21.091 33.743 1.00 66.59 H new ATOM 0 HG3 ARG A 849 20.266 22.197 34.710 1.00 66.59 H new ATOM 0 HD2 ARG A 849 20.874 20.633 36.512 1.00 73.92 H new ATOM 0 HD3 ARG A 849 21.729 19.913 35.424 1.00 73.92 H new ATOM 0 HE ARG A 849 22.896 21.905 35.131 1.00 80.76 H new ATOM 0 HH11 ARG A 849 21.221 21.861 38.003 1.00 79.90 H new ATOM 0 HH12 ARG A 849 21.998 22.964 38.635 1.00 79.90 H new ATOM 0 HH21 ARG A 849 24.051 23.524 36.124 1.00 85.90 H new ATOM 0 HH22 ARG A 849 23.703 23.965 37.504 1.00 85.90 H new ATOM 1282 N GLU A 850 16.615 19.536 34.593 1.00 43.41 N ATOM 1283 CA GLU A 850 15.296 19.057 34.888 1.00 46.09 C ATOM 1284 C GLU A 850 14.386 19.337 33.721 1.00 36.84 C ATOM 1285 O GLU A 850 13.239 18.964 33.788 1.00 39.72 O ATOM 1286 CB GLU A 850 14.756 19.674 36.210 1.00 54.91 C ATOM 1287 CG GLU A 850 15.689 19.577 37.432 1.00 62.36 C ATOM 1288 CD GLU A 850 16.036 18.144 37.826 1.00 69.47 C ATOM 1289 OE1 GLU A 850 15.129 17.457 38.331 1.00 82.66 O ATOM 1290 OE2 GLU A 850 17.207 17.699 37.646 1.00 76.80 O ATOM 0 H GLU A 850 16.733 20.384 34.674 1.00 43.41 H new ATOM 0 HA GLU A 850 15.329 18.097 35.025 1.00 46.09 H new ATOM 0 HB2 GLU A 850 14.557 20.610 36.051 1.00 54.91 H new ATOM 0 HB3 GLU A 850 13.918 19.239 36.430 1.00 54.91 H new ATOM 0 HG2 GLU A 850 16.509 20.059 37.242 1.00 62.36 H new ATOM 0 HG3 GLU A 850 15.268 20.019 38.186 1.00 62.36 H new ATOM 1291 N ASP A 851 14.842 19.979 32.638 1.00 31.89 N ATOM 1292 CA ASP A 851 13.982 20.142 31.506 1.00 28.50 C ATOM 1293 C ASP A 851 13.628 18.768 31.015 1.00 29.64 C ATOM 1294 O ASP A 851 14.494 17.859 30.978 1.00 29.12 O ATOM 1295 CB ASP A 851 14.673 20.912 30.358 1.00 32.52 C ATOM 1296 CG ASP A 851 13.715 21.390 29.277 1.00 34.95 C ATOM 1297 OD1 ASP A 851 13.090 20.588 28.525 1.00 29.32 O ATOM 1298 OD2 ASP A 851 13.706 22.627 29.045 1.00 35.23 O ATOM 0 H ASP A 851 15.630 20.314 32.556 1.00 31.89 H new ATOM 0 HA ASP A 851 13.202 20.652 31.774 1.00 28.50 H new ATOM 0 HB2 ASP A 851 15.139 21.678 30.728 1.00 32.52 H new ATOM 0 HB3 ASP A 851 15.344 20.340 29.954 1.00 32.52 H new ATOM 1299 N LYS A 852 12.401 18.629 30.551 1.00 24.47 N ATOM 1300 CA LYS A 852 11.916 17.361 30.093 1.00 25.77 C ATOM 1301 C LYS A 852 12.677 16.905 28.813 1.00 22.88 C ATOM 1302 O LYS A 852 12.662 15.708 28.475 1.00 22.92 O ATOM 1303 CB LYS A 852 10.432 17.389 29.810 1.00 29.64 C ATOM 1304 CG LYS A 852 10.019 18.300 28.691 1.00 33.89 C ATOM 1305 CD LYS A 852 8.498 18.443 28.623 1.00 38.94 C ATOM 1306 CE LYS A 852 8.163 19.529 27.576 1.00 36.28 C ATOM 1307 NZ LYS A 852 6.731 19.679 27.316 1.00 32.53 N ATOM 0 H LYS A 852 11.831 19.271 30.495 1.00 24.47 H new ATOM 0 HA LYS A 852 12.077 16.727 30.809 1.00 25.77 H new ATOM 0 HB2 LYS A 852 10.139 16.488 29.601 1.00 29.64 H new ATOM 0 HB3 LYS A 852 9.967 17.659 30.617 1.00 29.64 H new ATOM 0 HG2 LYS A 852 10.423 19.173 28.816 1.00 33.89 H new ATOM 0 HG3 LYS A 852 10.351 17.952 27.849 1.00 33.89 H new ATOM 0 HD2 LYS A 852 8.089 17.598 28.377 1.00 38.94 H new ATOM 0 HD3 LYS A 852 8.142 18.689 29.491 1.00 38.94 H new ATOM 0 HE2 LYS A 852 8.519 20.379 27.879 1.00 36.28 H new ATOM 0 HE3 LYS A 852 8.613 19.314 26.744 1.00 36.28 H new ATOM 0 HZ1 LYS A 852 6.612 20.122 26.553 1.00 32.53 H new ATOM 0 HZ2 LYS A 852 6.355 18.875 27.253 1.00 32.53 H new ATOM 0 HZ3 LYS A 852 6.354 20.131 27.983 1.00 32.53 H new ATOM 1308 N PHE A 853 13.337 17.835 28.138 1.00 23.84 N ATOM 1309 CA PHE A 853 14.162 17.487 26.973 1.00 22.34 C ATOM 1310 C PHE A 853 15.278 16.482 27.350 1.00 21.66 C ATOM 1311 O PHE A 853 15.809 15.771 26.451 1.00 20.22 O ATOM 1312 CB PHE A 853 14.706 18.736 26.353 1.00 22.24 C ATOM 1313 CG PHE A 853 15.364 18.569 24.994 1.00 21.65 C ATOM 1314 CD1 PHE A 853 14.652 18.064 23.923 1.00 24.32 C ATOM 1315 CD2 PHE A 853 16.657 19.008 24.767 1.00 22.40 C ATOM 1316 CE1 PHE A 853 15.240 17.979 22.683 1.00 24.46 C ATOM 1317 CE2 PHE A 853 17.256 18.929 23.504 1.00 24.13 C ATOM 1318 CZ PHE A 853 16.552 18.388 22.479 1.00 23.82 C ATOM 0 H PHE A 853 13.325 18.673 28.332 1.00 23.84 H new ATOM 0 HA PHE A 853 13.608 17.040 26.314 1.00 22.34 H new ATOM 0 HB2 PHE A 853 13.982 19.375 26.266 1.00 22.24 H new ATOM 0 HB3 PHE A 853 15.354 19.123 26.962 1.00 22.24 H new ATOM 0 HD1 PHE A 853 13.774 17.781 24.041 1.00 24.32 H new ATOM 0 HD2 PHE A 853 17.142 19.366 25.475 1.00 22.40 H new ATOM 0 HE1 PHE A 853 14.751 17.642 21.968 1.00 24.46 H new ATOM 0 HE2 PHE A 853 18.121 19.242 23.370 1.00 24.13 H new ATOM 0 HZ PHE A 853 16.946 18.291 21.642 1.00 23.82 H new ATOM 1319 N THR A 854 15.644 16.417 28.594 1.00 20.76 N ATOM 1320 CA ATHR A 854 16.586 15.399 29.100 0.37 22.07 C ATOM 1321 CA BTHR A 854 16.603 15.380 29.037 0.63 22.12 C ATOM 1322 C THR A 854 16.211 13.980 28.626 1.00 22.20 C ATOM 1323 O THR A 854 17.088 13.144 28.398 1.00 22.59 O ATOM 1324 CB ATHR A 854 16.690 15.471 30.664 0.37 23.56 C ATOM 1325 CB BTHR A 854 16.787 15.326 30.567 0.63 24.35 C ATOM 1326 OG1ATHR A 854 17.849 14.764 31.132 0.37 23.51 O ATOM 1327 OG1BTHR A 854 15.543 15.047 31.210 0.63 29.40 O ATOM 1328 CG2ATHR A 854 15.466 14.867 31.342 0.37 24.78 C ATOM 1329 CG2BTHR A 854 17.385 16.560 31.082 0.63 21.59 C ATOM 0 H ATHR A 854 15.362 16.960 29.198 0.37 20.76 H new ATOM 0 H BTHR A 854 15.368 16.946 29.213 0.63 20.76 H new ATOM 0 HA ATHR A 854 17.460 15.597 28.728 0.37 22.12 H new ATOM 0 HA BTHR A 854 17.424 15.652 28.598 0.63 22.12 H new ATOM 0 HB ATHR A 854 16.753 16.412 30.892 0.37 24.35 H new ATOM 0 HB BTHR A 854 17.403 14.604 30.768 0.63 24.35 H new ATOM 0 HG1ATHR A 854 17.889 14.814 31.970 0.37 29.40 H new ATOM 0 HG1BTHR A 854 15.088 15.751 31.257 0.63 29.40 H new ATOM 0 HG21ATHR A 854 15.566 14.929 32.305 0.37 21.59 H new ATOM 0 HG21BTHR A 854 17.487 16.493 32.044 0.63 21.59 H new ATOM 0 HG22ATHR A 854 14.672 15.352 31.068 0.37 21.59 H new ATOM 0 HG22BTHR A 854 18.255 16.693 30.674 0.63 21.59 H new ATOM 0 HG23ATHR A 854 15.381 13.935 31.086 0.37 21.59 H new ATOM 0 HG23BTHR A 854 16.810 17.312 30.869 0.63 21.59 H new ATOM 1330 N ARG A 855 14.917 13.692 28.511 1.00 20.97 N ATOM 1331 CA ARG A 855 14.455 12.393 28.131 1.00 24.31 C ATOM 1332 C ARG A 855 14.906 11.922 26.742 1.00 22.66 C ATOM 1333 O ARG A 855 15.100 10.681 26.529 1.00 20.87 O ATOM 1334 CB ARG A 855 12.913 12.322 28.225 1.00 27.60 C ATOM 1335 CG ARG A 855 12.272 10.979 27.918 1.00 39.76 C ATOM 1336 CD ARG A 855 10.845 10.899 28.474 1.00 49.51 C ATOM 1337 NE ARG A 855 10.107 9.685 28.061 1.00 54.13 N ATOM 1338 CZ ARG A 855 9.214 9.605 27.060 1.00 58.42 C ATOM 1339 NH1 ARG A 855 8.903 10.669 26.286 1.00 53.87 N ATOM 1340 NH2 ARG A 855 8.624 8.431 26.809 1.00 56.36 N ATOM 0 H ARG A 855 14.288 14.260 28.656 1.00 20.97 H new ATOM 0 HA ARG A 855 14.870 11.786 28.763 1.00 24.31 H new ATOM 0 HB2 ARG A 855 12.652 12.584 29.122 1.00 27.60 H new ATOM 0 HB3 ARG A 855 12.542 12.981 27.617 1.00 27.60 H new ATOM 0 HG2 ARG A 855 12.255 10.839 26.958 1.00 39.76 H new ATOM 0 HG3 ARG A 855 12.810 10.267 28.299 1.00 39.76 H new ATOM 0 HD2 ARG A 855 10.883 10.930 29.443 1.00 49.51 H new ATOM 0 HD3 ARG A 855 10.350 11.682 28.184 1.00 49.51 H new ATOM 0 HE ARG A 855 10.264 8.964 28.502 1.00 54.13 H new ATOM 0 HH11 ARG A 855 9.281 11.428 26.427 1.00 53.87 H new ATOM 0 HH12 ARG A 855 8.327 10.586 25.653 1.00 53.87 H new ATOM 0 HH21 ARG A 855 8.818 7.742 27.285 1.00 56.36 H new ATOM 0 HH22 ARG A 855 8.051 8.366 26.171 1.00 56.36 H new ATOM 1341 N LEU A 856 15.161 12.852 25.851 1.00 22.05 N ATOM 1342 CA LEU A 856 15.676 12.445 24.526 1.00 20.94 C ATOM 1343 C LEU A 856 17.027 11.706 24.685 1.00 19.31 C ATOM 1344 O LEU A 856 17.279 10.750 23.963 1.00 19.94 O ATOM 1345 CB LEU A 856 15.878 13.609 23.569 1.00 22.42 C ATOM 1346 CG LEU A 856 14.645 14.025 22.741 1.00 25.46 C ATOM 1347 CD1 LEU A 856 14.159 13.007 21.702 1.00 30.99 C ATOM 1348 CD2 LEU A 856 13.511 14.402 23.607 1.00 27.59 C ATOM 0 H LEU A 856 15.054 13.697 25.968 1.00 22.05 H new ATOM 0 HA LEU A 856 14.999 11.864 24.145 1.00 20.94 H new ATOM 0 HB2 LEU A 856 16.176 14.377 24.081 1.00 22.42 H new ATOM 0 HB3 LEU A 856 16.595 13.381 22.957 1.00 22.42 H new ATOM 0 HG LEU A 856 14.967 14.789 22.238 1.00 25.46 H new ATOM 0 HD11 LEU A 856 13.384 13.362 21.238 1.00 30.99 H new ATOM 0 HD12 LEU A 856 14.867 12.834 21.062 1.00 30.99 H new ATOM 0 HD13 LEU A 856 13.918 12.180 22.147 1.00 30.99 H new ATOM 0 HD21 LEU A 856 12.754 14.657 23.057 1.00 27.59 H new ATOM 0 HD22 LEU A 856 13.265 13.648 24.165 1.00 27.59 H new ATOM 0 HD23 LEU A 856 13.768 15.149 24.170 1.00 27.59 H new ATOM 1349 N GLY A 857 17.867 12.141 25.589 1.00 20.75 N ATOM 1350 CA GLY A 857 19.156 11.521 25.847 1.00 19.59 C ATOM 1351 C GLY A 857 18.960 10.126 26.391 1.00 21.07 C ATOM 1352 O GLY A 857 19.720 9.190 26.029 1.00 20.48 O ATOM 0 H GLY A 857 17.707 12.823 26.088 1.00 20.75 H new ATOM 0 HA2 GLY A 857 19.676 11.487 25.029 1.00 19.59 H new ATOM 0 HA3 GLY A 857 19.659 12.056 26.481 1.00 19.59 H new ATOM 1353 N ILE A 858 18.021 9.994 27.303 1.00 21.65 N ATOM 1354 CA ILE A 858 17.685 8.679 27.883 1.00 22.18 C ATOM 1355 C ILE A 858 17.180 7.712 26.796 1.00 21.63 C ATOM 1356 O ILE A 858 17.632 6.565 26.729 1.00 20.91 O ATOM 1357 CB ILE A 858 16.660 8.765 29.029 1.00 24.67 C ATOM 1358 CG1 ILE A 858 17.318 9.427 30.228 1.00 29.16 C ATOM 1359 CG2 ILE A 858 16.166 7.355 29.380 1.00 25.73 C ATOM 1360 CD1 ILE A 858 16.306 9.902 31.277 1.00 34.04 C ATOM 0 H ILE A 858 17.555 10.648 27.611 1.00 21.65 H new ATOM 0 HA ILE A 858 18.508 8.336 28.264 1.00 22.18 H new ATOM 0 HB ILE A 858 15.894 9.296 28.759 1.00 24.67 H new ATOM 0 HG12 ILE A 858 17.934 8.801 30.640 1.00 29.16 H new ATOM 0 HG13 ILE A 858 17.843 10.184 29.926 1.00 29.16 H new ATOM 0 HG21 ILE A 858 15.520 7.409 30.102 1.00 25.73 H new ATOM 0 HG22 ILE A 858 15.748 6.955 28.601 1.00 25.73 H new ATOM 0 HG23 ILE A 858 16.917 6.809 29.659 1.00 25.73 H new ATOM 0 HD11 ILE A 858 16.777 10.315 32.018 1.00 34.04 H new ATOM 0 HD12 ILE A 858 15.704 10.548 30.877 1.00 34.04 H new ATOM 0 HD13 ILE A 858 15.796 9.143 31.602 1.00 34.04 H new ATOM 1361 N GLN A 859 16.323 8.193 25.901 1.00 19.05 N ATOM 1362 CA GLN A 859 15.781 7.381 24.887 1.00 22.35 C ATOM 1363 C GLN A 859 16.807 6.923 23.876 1.00 21.25 C ATOM 1364 O GLN A 859 16.851 5.705 23.486 1.00 20.51 O ATOM 1365 CB GLN A 859 14.665 8.125 24.140 1.00 23.83 C ATOM 1366 CG GLN A 859 13.488 8.353 25.066 1.00 26.41 C ATOM 1367 CD GLN A 859 12.441 9.216 24.461 1.00 29.59 C ATOM 1368 OE1 GLN A 859 12.743 10.227 23.765 1.00 28.28 O ATOM 1369 NE2 GLN A 859 11.200 8.789 24.635 1.00 37.12 N ATOM 0 H GLN A 859 16.053 9.009 25.885 1.00 19.05 H new ATOM 0 HA GLN A 859 15.432 6.596 25.337 1.00 22.35 H new ATOM 0 HB2 GLN A 859 14.997 8.975 23.810 1.00 23.83 H new ATOM 0 HB3 GLN A 859 14.384 7.611 23.367 1.00 23.83 H new ATOM 0 HG2 GLN A 859 13.098 7.497 25.304 1.00 26.41 H new ATOM 0 HG3 GLN A 859 13.802 8.761 25.888 1.00 26.41 H new ATOM 0 HE21 GLN A 859 11.048 8.095 25.119 1.00 37.12 H new ATOM 0 HE22 GLN A 859 10.546 9.206 24.264 1.00 37.12 H new ATOM 1370 N VAL A 860 17.655 7.840 23.408 1.00 18.81 N ATOM 1371 CA VAL A 860 18.651 7.452 22.405 1.00 17.60 C ATOM 1372 C VAL A 860 19.783 6.579 23.078 1.00 17.70 C ATOM 1373 O VAL A 860 20.195 5.574 22.493 1.00 19.49 O ATOM 1374 CB VAL A 860 19.180 8.608 21.635 1.00 18.49 C ATOM 1375 CG1 VAL A 860 20.154 8.143 20.569 1.00 18.26 C ATOM 1376 CG2 VAL A 860 18.051 9.361 20.970 1.00 18.39 C ATOM 0 H VAL A 860 17.673 8.666 23.648 1.00 18.81 H new ATOM 0 HA VAL A 860 18.209 6.901 21.740 1.00 17.60 H new ATOM 0 HB VAL A 860 19.640 9.192 22.258 1.00 18.49 H new ATOM 0 HG11 VAL A 860 20.488 8.910 20.078 1.00 18.26 H new ATOM 0 HG12 VAL A 860 20.896 7.680 20.988 1.00 18.26 H new ATOM 0 HG13 VAL A 860 19.702 7.541 19.958 1.00 18.26 H new ATOM 0 HG21 VAL A 860 18.411 10.111 20.472 1.00 18.39 H new ATOM 0 HG22 VAL A 860 17.579 8.768 20.364 1.00 18.39 H new ATOM 0 HG23 VAL A 860 17.437 9.687 21.646 1.00 18.39 H new ATOM 1377 N GLN A 861 20.110 6.848 24.316 1.00 18.10 N ATOM 1378 CA GLN A 861 21.088 6.012 25.034 1.00 19.98 C ATOM 1379 C GLN A 861 20.552 4.571 25.117 1.00 18.58 C ATOM 1380 O GLN A 861 21.328 3.617 24.984 1.00 18.60 O ATOM 1381 CB GLN A 861 21.450 6.542 26.424 1.00 21.65 C ATOM 1382 CG GLN A 861 22.534 5.576 26.997 1.00 26.21 C ATOM 1383 CD GLN A 861 23.460 6.117 28.039 1.00 34.97 C ATOM 1384 OE1 GLN A 861 23.160 7.133 28.644 1.00 35.12 O ATOM 1385 NE2 GLN A 861 24.595 5.375 28.309 1.00 33.09 N ATOM 0 H GLN A 861 19.789 7.502 24.773 1.00 18.10 H new ATOM 0 HA GLN A 861 21.915 6.036 24.528 1.00 19.98 H new ATOM 0 HB2 GLN A 861 21.789 7.449 26.370 1.00 21.65 H new ATOM 0 HB3 GLN A 861 20.669 6.565 26.999 1.00 21.65 H new ATOM 0 HG2 GLN A 861 22.080 4.805 27.371 1.00 26.21 H new ATOM 0 HG3 GLN A 861 23.072 5.256 26.256 1.00 26.21 H new ATOM 0 HE21 GLN A 861 24.763 4.665 27.854 1.00 33.09 H new ATOM 0 HE22 GLN A 861 25.133 5.624 28.932 1.00 33.09 H new ATOM 1386 N ASP A 862 19.266 4.414 25.368 1.00 20.62 N ATOM 1387 CA AASP A 862 18.656 3.077 25.433 0.49 22.51 C ATOM 1388 CA BASP A 862 18.693 3.078 25.455 0.51 23.25 C ATOM 1389 C ASP A 862 18.798 2.303 24.140 1.00 23.63 C ATOM 1390 O ASP A 862 19.057 1.081 24.164 1.00 20.29 O ATOM 1391 CB AASP A 862 17.189 3.148 25.822 0.49 22.78 C ATOM 1392 CB BASP A 862 17.271 3.153 25.989 0.51 23.55 C ATOM 1393 CG AASP A 862 16.980 3.495 27.261 0.49 27.26 C ATOM 1394 CG BASP A 862 16.716 1.792 26.388 0.51 30.64 C ATOM 1395 OD1AASP A 862 17.963 3.486 28.021 0.49 25.37 O ATOM 1396 OD1BASP A 862 17.386 1.064 27.144 0.51 29.77 O ATOM 1397 OD2AASP A 862 15.806 3.820 27.641 0.49 32.04 O ATOM 1398 OD2BASP A 862 15.595 1.464 25.959 0.51 33.28 O ATOM 0 H AASP A 862 18.719 5.063 25.505 0.49 20.62 H new ATOM 0 H BASP A 862 18.709 5.058 25.491 0.51 20.62 H new ATOM 0 HA AASP A 862 19.146 2.601 26.122 0.49 23.25 H new ATOM 0 HA BASP A 862 19.220 2.565 26.088 0.51 23.25 H new ATOM 0 HB2AASP A 862 16.745 3.809 25.268 0.49 23.55 H new ATOM 0 HB2BASP A 862 17.250 3.744 26.758 0.51 23.55 H new ATOM 0 HB3AASP A 862 16.769 2.293 25.637 0.49 23.55 H new ATOM 0 HB3BASP A 862 16.697 3.546 25.313 0.51 23.55 H new ATOM 1399 N ILE A 863 18.651 2.989 22.993 1.00 18.24 N ATOM 1400 CA ILE A 863 18.843 2.352 21.700 1.00 19.52 C ATOM 1401 C ILE A 863 20.273 1.974 21.553 1.00 17.03 C ATOM 1402 O ILE A 863 20.591 0.846 21.139 1.00 19.19 O ATOM 1403 CB ILE A 863 18.481 3.364 20.508 1.00 21.89 C ATOM 1404 CG1 ILE A 863 17.004 3.723 20.553 1.00 26.73 C ATOM 1405 CG2 ILE A 863 18.852 2.767 19.161 1.00 24.00 C ATOM 1406 CD1 ILE A 863 16.095 2.553 20.430 1.00 30.13 C ATOM 0 H ILE A 863 18.441 3.822 22.953 1.00 18.24 H new ATOM 0 HA ILE A 863 18.265 1.574 21.654 1.00 19.52 H new ATOM 0 HB ILE A 863 18.998 4.176 20.626 1.00 21.89 H new ATOM 0 HG12 ILE A 863 16.817 4.180 21.388 1.00 26.73 H new ATOM 0 HG13 ILE A 863 16.810 4.348 19.837 1.00 26.73 H new ATOM 0 HG21 ILE A 863 18.625 3.393 18.456 1.00 24.00 H new ATOM 0 HG22 ILE A 863 19.805 2.586 19.138 1.00 24.00 H new ATOM 0 HG23 ILE A 863 18.363 1.940 19.028 1.00 24.00 H new ATOM 0 HD11 ILE A 863 15.173 2.854 20.466 1.00 30.13 H new ATOM 0 HD12 ILE A 863 16.256 2.106 19.584 1.00 30.13 H new ATOM 0 HD13 ILE A 863 16.262 1.935 21.159 1.00 30.13 H new ATOM 1407 N PHE A 864 21.176 2.877 21.901 1.00 16.74 N ATOM 1408 CA PHE A 864 22.625 2.544 21.860 1.00 16.76 C ATOM 1409 C PHE A 864 22.917 1.258 22.717 1.00 16.87 C ATOM 1410 O PHE A 864 23.577 0.357 22.247 1.00 17.56 O ATOM 1411 CB PHE A 864 23.517 3.697 22.366 1.00 18.88 C ATOM 1412 CG PHE A 864 24.939 3.345 22.515 1.00 15.92 C ATOM 1413 CD1 PHE A 864 25.742 3.157 21.430 1.00 17.89 C ATOM 1414 CD2 PHE A 864 25.469 3.142 23.773 1.00 17.68 C ATOM 1415 CE1 PHE A 864 27.052 2.813 21.582 1.00 18.27 C ATOM 1416 CE2 PHE A 864 26.792 2.739 23.936 1.00 17.34 C ATOM 1417 CZ PHE A 864 27.603 2.614 22.842 1.00 17.95 C ATOM 0 H PHE A 864 20.993 3.676 22.161 1.00 16.74 H new ATOM 0 HA PHE A 864 22.843 2.385 20.928 1.00 16.76 H new ATOM 0 HB2 PHE A 864 23.442 4.443 21.751 1.00 18.88 H new ATOM 0 HB3 PHE A 864 23.179 4.001 23.223 1.00 18.88 H new ATOM 0 HD1 PHE A 864 25.392 3.265 20.575 1.00 17.89 H new ATOM 0 HD2 PHE A 864 24.935 3.276 24.523 1.00 17.68 H new ATOM 0 HE1 PHE A 864 27.587 2.710 20.828 1.00 18.27 H new ATOM 0 HE2 PHE A 864 27.123 2.556 24.786 1.00 17.34 H new ATOM 0 HZ PHE A 864 28.503 2.401 22.939 1.00 17.95 H new ATOM 1418 N GLU A 865 22.479 1.245 23.950 1.00 17.77 N ATOM 1419 CA GLU A 865 22.865 0.195 24.868 1.00 20.70 C ATOM 1420 C GLU A 865 22.293 -1.180 24.489 1.00 18.76 C ATOM 1421 O GLU A 865 23.007 -2.197 24.562 1.00 18.74 O ATOM 1422 CB GLU A 865 22.458 0.529 26.262 1.00 20.85 C ATOM 1423 CG GLU A 865 23.189 1.701 26.910 1.00 21.81 C ATOM 1424 CD GLU A 865 24.679 1.601 27.074 1.00 25.36 C ATOM 1425 OE1 GLU A 865 25.224 0.475 27.083 1.00 24.71 O ATOM 1426 OE2 GLU A 865 25.377 2.652 27.339 1.00 22.54 O ATOM 0 H GLU A 865 21.952 1.838 24.283 1.00 17.77 H new ATOM 0 HA GLU A 865 23.832 0.137 24.810 1.00 20.70 H new ATOM 0 HB2 GLU A 865 21.507 0.722 26.265 1.00 20.85 H new ATOM 0 HB3 GLU A 865 22.589 -0.257 26.815 1.00 20.85 H new ATOM 0 HG2 GLU A 865 23.001 2.495 26.385 1.00 21.81 H new ATOM 0 HG3 GLU A 865 22.803 1.843 27.788 1.00 21.81 H new ATOM 1427 N LYS A 866 21.049 -1.215 24.079 1.00 18.56 N ATOM 1428 CA LYS A 866 20.391 -2.444 23.586 1.00 18.74 C ATOM 1429 C LYS A 866 21.121 -2.988 22.392 1.00 20.99 C ATOM 1430 O LYS A 866 21.400 -4.202 22.283 1.00 19.52 O ATOM 1431 CB LYS A 866 18.931 -2.193 23.178 1.00 21.71 C ATOM 1432 CG LYS A 866 17.968 -2.062 24.333 1.00 30.35 C ATOM 1433 CD LYS A 866 16.535 -1.837 23.781 1.00 32.55 C ATOM 1434 CE LYS A 866 15.571 -1.432 24.908 1.00 42.62 C ATOM 1435 NZ LYS A 866 14.996 -2.655 25.507 1.00 44.52 N ATOM 0 H LYS A 866 20.538 -0.524 24.071 1.00 18.56 H new ATOM 0 HA LYS A 866 20.410 -3.080 24.318 1.00 18.74 H new ATOM 0 HB2 LYS A 866 18.891 -1.383 22.646 1.00 21.71 H new ATOM 0 HB3 LYS A 866 18.637 -2.921 22.609 1.00 21.71 H new ATOM 0 HG2 LYS A 866 17.993 -2.862 24.881 1.00 30.35 H new ATOM 0 HG3 LYS A 866 18.227 -1.320 24.902 1.00 30.35 H new ATOM 0 HD2 LYS A 866 16.551 -1.146 23.100 1.00 32.55 H new ATOM 0 HD3 LYS A 866 16.217 -2.648 23.354 1.00 32.55 H new ATOM 0 HE2 LYS A 866 16.041 -0.917 25.582 1.00 42.62 H new ATOM 0 HE3 LYS A 866 14.865 -0.866 24.559 1.00 42.62 H new ATOM 0 HZ1 LYS A 866 14.436 -2.430 26.161 1.00 44.52 H new ATOM 0 HZ2 LYS A 866 14.555 -3.112 24.884 1.00 44.52 H new ATOM 0 HZ3 LYS A 866 15.650 -3.160 25.837 1.00 44.52 H new ATOM 1436 N ASN A 867 21.476 -2.110 21.445 1.00 18.66 N ATOM 1437 CA ASN A 867 22.223 -2.551 20.286 1.00 19.40 C ATOM 1438 C ASN A 867 23.672 -2.999 20.623 1.00 17.43 C ATOM 1439 O ASN A 867 24.189 -3.918 19.961 1.00 19.42 O ATOM 1440 CB ASN A 867 22.201 -1.522 19.141 1.00 19.23 C ATOM 1441 CG ASN A 867 20.876 -1.573 18.351 1.00 20.10 C ATOM 1442 OD1 ASN A 867 20.695 -2.428 17.498 1.00 22.54 O ATOM 1443 ND2 ASN A 867 19.933 -0.673 18.650 1.00 21.74 N ATOM 0 H ASN A 867 21.293 -1.270 21.463 1.00 18.66 H new ATOM 0 HA ASN A 867 21.758 -3.342 19.970 1.00 19.40 H new ATOM 0 HB2 ASN A 867 22.327 -0.631 19.504 1.00 19.23 H new ATOM 0 HB3 ASN A 867 22.943 -1.691 18.540 1.00 19.23 H new ATOM 0 HD21 ASN A 867 19.178 -0.688 18.238 1.00 21.74 H new ATOM 0 HD22 ASN A 867 20.081 -0.079 19.254 1.00 21.74 H new ATOM 1444 N PHE A 868 24.321 -2.299 21.606 1.00 17.28 N ATOM 1445 CA PHE A 868 25.644 -2.700 22.067 1.00 17.92 C ATOM 1446 C PHE A 868 25.591 -4.105 22.607 1.00 17.57 C ATOM 1447 O PHE A 868 26.411 -4.963 22.197 1.00 16.96 O ATOM 1448 CB PHE A 868 26.145 -1.736 23.100 1.00 17.96 C ATOM 1449 CG PHE A 868 27.462 -2.163 23.746 1.00 20.03 C ATOM 1450 CD1 PHE A 868 28.596 -2.131 23.051 1.00 16.97 C ATOM 1451 CD2 PHE A 868 27.456 -2.685 25.035 1.00 25.43 C ATOM 1452 CE1 PHE A 868 29.848 -2.506 23.637 1.00 20.16 C ATOM 1453 CE2 PHE A 868 28.623 -3.087 25.636 1.00 25.11 C ATOM 1454 CZ PHE A 868 29.850 -2.970 24.920 1.00 22.95 C ATOM 0 H PHE A 868 23.999 -1.604 21.998 1.00 17.28 H new ATOM 0 HA PHE A 868 26.265 -2.685 21.322 1.00 17.92 H new ATOM 0 HB2 PHE A 868 26.262 -0.865 22.689 1.00 17.96 H new ATOM 0 HB3 PHE A 868 25.472 -1.635 23.791 1.00 17.96 H new ATOM 0 HD1 PHE A 868 28.575 -1.858 22.162 1.00 16.97 H new ATOM 0 HD2 PHE A 868 26.652 -2.763 25.495 1.00 25.43 H new ATOM 0 HE1 PHE A 868 30.640 -2.435 23.155 1.00 20.16 H new ATOM 0 HE2 PHE A 868 28.613 -3.431 26.500 1.00 25.11 H new ATOM 0 HZ PHE A 868 30.651 -3.210 25.327 1.00 22.95 H new ATOM 1455 N ARG A 869 24.587 -4.397 23.425 1.00 17.22 N ATOM 1456 CA ARG A 869 24.495 -5.744 24.052 1.00 21.73 C ATOM 1457 C ARG A 869 24.226 -6.824 22.997 1.00 23.46 C ATOM 1458 O ARG A 869 24.804 -7.915 23.056 1.00 23.17 O ATOM 1459 CB ARG A 869 23.415 -5.768 25.082 1.00 20.68 C ATOM 1460 CG ARG A 869 23.799 -4.957 26.276 1.00 21.72 C ATOM 1461 CD ARG A 869 22.897 -5.127 27.478 1.00 22.26 C ATOM 1462 NE ARG A 869 21.510 -4.819 27.249 1.00 22.42 N ATOM 1463 CZ ARG A 869 20.945 -3.627 27.448 1.00 25.49 C ATOM 1464 NH1 ARG A 869 21.623 -2.569 27.852 1.00 27.14 N ATOM 1465 NH2 ARG A 869 19.677 -3.477 27.204 1.00 29.36 N ATOM 0 H ARG A 869 23.955 -3.854 23.636 1.00 17.22 H new ATOM 0 HA ARG A 869 25.346 -5.932 24.478 1.00 21.73 H new ATOM 0 HB2 ARG A 869 22.593 -5.421 24.702 1.00 20.68 H new ATOM 0 HB3 ARG A 869 23.240 -6.683 25.351 1.00 20.68 H new ATOM 0 HG2 ARG A 869 24.705 -5.191 26.532 1.00 21.72 H new ATOM 0 HG3 ARG A 869 23.808 -4.020 26.025 1.00 21.72 H new ATOM 0 HD2 ARG A 869 22.963 -6.044 27.788 1.00 22.26 H new ATOM 0 HD3 ARG A 869 23.226 -4.561 28.194 1.00 22.26 H new ATOM 0 HE ARG A 869 21.006 -5.453 26.961 1.00 22.42 H new ATOM 0 HH11 ARG A 869 22.468 -2.630 27.999 1.00 27.14 H new ATOM 0 HH12 ARG A 869 21.220 -1.818 27.968 1.00 27.14 H new ATOM 0 HH21 ARG A 869 19.213 -4.142 26.918 1.00 29.36 H new ATOM 0 HH22 ARG A 869 19.303 -2.713 27.329 1.00 29.36 H new ATOM 1466 N ASN A 870 23.408 -6.476 21.975 1.00 20.85 N ATOM 1467 CA ASN A 870 23.128 -7.406 20.893 1.00 24.02 C ATOM 1468 C ASN A 870 24.351 -7.660 19.985 1.00 24.25 C ATOM 1469 O ASN A 870 24.777 -8.814 19.725 1.00 22.17 O ATOM 1470 CB ASN A 870 21.926 -6.891 20.079 1.00 23.31 C ATOM 1471 CG ASN A 870 21.620 -7.822 18.882 1.00 33.24 C ATOM 1472 OD1 ASN A 870 21.954 -7.528 17.757 1.00 37.80 O ATOM 1473 ND2 ASN A 870 21.133 -8.995 19.173 1.00 34.20 N ATOM 0 H ASN A 870 23.018 -5.713 21.904 1.00 20.85 H new ATOM 0 HA ASN A 870 22.911 -8.265 21.288 1.00 24.02 H new ATOM 0 HB2 ASN A 870 21.146 -6.831 20.652 1.00 23.31 H new ATOM 0 HB3 ASN A 870 22.111 -5.995 19.756 1.00 23.31 H new ATOM 0 HD21 ASN A 870 21.041 -9.587 18.556 1.00 34.20 H new ATOM 0 HD22 ASN A 870 20.904 -9.177 19.982 1.00 34.20 H new ATOM 1474 N ILE A 871 24.958 -6.606 19.468 1.00 19.89 N ATOM 1475 CA ILE A 871 26.049 -6.736 18.518 1.00 20.37 C ATOM 1476 C ILE A 871 27.315 -7.383 19.097 1.00 21.12 C ATOM 1477 O ILE A 871 28.010 -8.212 18.403 1.00 21.35 O ATOM 1478 CB ILE A 871 26.375 -5.324 17.947 1.00 20.05 C ATOM 1479 CG1 ILE A 871 25.160 -4.912 17.081 1.00 21.14 C ATOM 1480 CG2 ILE A 871 27.638 -5.336 17.121 1.00 20.16 C ATOM 1481 CD1 ILE A 871 25.159 -3.435 16.677 1.00 25.08 C ATOM 0 H ILE A 871 24.750 -5.793 19.658 1.00 19.89 H new ATOM 0 HA ILE A 871 25.752 -7.340 17.820 1.00 20.37 H new ATOM 0 HB ILE A 871 26.528 -4.693 18.668 1.00 20.05 H new ATOM 0 HG12 ILE A 871 25.146 -5.458 16.279 1.00 21.14 H new ATOM 0 HG13 ILE A 871 24.345 -5.105 17.570 1.00 21.14 H new ATOM 0 HG21 ILE A 871 27.811 -4.444 16.782 1.00 20.16 H new ATOM 0 HG22 ILE A 871 28.383 -5.622 17.673 1.00 20.16 H new ATOM 0 HG23 ILE A 871 27.533 -5.950 16.377 1.00 20.16 H new ATOM 0 HD11 ILE A 871 24.374 -3.247 16.139 1.00 25.08 H new ATOM 0 HD12 ILE A 871 25.145 -2.881 17.473 1.00 25.08 H new ATOM 0 HD13 ILE A 871 25.958 -3.240 16.162 1.00 25.08 H new ATOM 1482 N PHE A 872 27.604 -7.068 20.348 1.00 19.30 N ATOM 1483 CA PHE A 872 28.819 -7.565 20.945 1.00 19.95 C ATOM 1484 C PHE A 872 28.475 -8.779 21.857 1.00 20.58 C ATOM 1485 O PHE A 872 29.344 -9.256 22.540 1.00 22.67 O ATOM 1486 CB PHE A 872 29.563 -6.516 21.702 1.00 19.72 C ATOM 1487 CG PHE A 872 30.242 -5.551 20.834 1.00 21.29 C ATOM 1488 CD1 PHE A 872 31.477 -5.832 20.335 1.00 22.68 C ATOM 1489 CD2 PHE A 872 29.631 -4.386 20.493 1.00 21.10 C ATOM 1490 CE1 PHE A 872 32.139 -4.944 19.525 1.00 23.75 C ATOM 1491 CE2 PHE A 872 30.301 -3.462 19.678 1.00 23.65 C ATOM 1492 CZ PHE A 872 31.531 -3.746 19.192 1.00 22.23 C ATOM 0 H PHE A 872 27.117 -6.576 20.858 1.00 19.30 H new ATOM 0 HA PHE A 872 29.413 -7.846 20.231 1.00 19.95 H new ATOM 0 HB2 PHE A 872 28.945 -6.043 22.280 1.00 19.72 H new ATOM 0 HB3 PHE A 872 30.218 -6.943 22.276 1.00 19.72 H new ATOM 0 HD1 PHE A 872 31.880 -6.643 20.547 1.00 22.68 H new ATOM 0 HD2 PHE A 872 28.772 -4.202 20.799 1.00 21.10 H new ATOM 0 HE1 PHE A 872 32.988 -5.145 19.203 1.00 23.75 H new ATOM 0 HE2 PHE A 872 29.898 -2.650 19.471 1.00 23.65 H new ATOM 0 HZ PHE A 872 31.966 -3.140 18.637 1.00 22.23 H new ATOM 1493 N ALA A 873 27.235 -9.240 21.828 1.00 19.52 N ATOM 1494 CA ALA A 873 26.825 -10.497 22.496 1.00 21.11 C ATOM 1495 C ALA A 873 27.201 -10.494 23.987 1.00 22.17 C ATOM 1496 O ALA A 873 27.861 -11.417 24.551 1.00 21.84 O ATOM 1497 CB ALA A 873 27.468 -11.656 21.736 1.00 22.81 C ATOM 0 H ALA A 873 26.593 -8.839 21.420 1.00 19.52 H new ATOM 0 HA ALA A 873 25.860 -10.591 22.474 1.00 21.11 H new ATOM 0 HB1 ALA A 873 27.216 -12.495 22.152 1.00 22.81 H new ATOM 0 HB2 ALA A 873 27.163 -11.648 20.815 1.00 22.81 H new ATOM 0 HB3 ALA A 873 28.433 -11.561 21.758 1.00 22.81 H new ATOM 1498 N ILE A 874 26.768 -9.440 24.656 1.00 18.88 N ATOM 1499 CA ILE A 874 27.039 -9.274 26.035 1.00 22.04 C ATOM 1500 C ILE A 874 26.152 -10.286 26.766 1.00 24.00 C ATOM 1501 O ILE A 874 24.998 -10.483 26.419 1.00 23.16 O ATOM 1502 CB ILE A 874 26.720 -7.863 26.504 1.00 23.12 C ATOM 1503 CG1 ILE A 874 27.603 -6.877 25.774 1.00 23.86 C ATOM 1504 CG2 ILE A 874 26.872 -7.754 27.999 1.00 28.80 C ATOM 1505 CD1 ILE A 874 29.063 -6.996 26.077 1.00 27.24 C ATOM 0 H ILE A 874 26.306 -8.805 24.305 1.00 18.88 H new ATOM 0 HA ILE A 874 27.981 -9.418 26.216 1.00 22.04 H new ATOM 0 HB ILE A 874 25.796 -7.653 26.297 1.00 23.12 H new ATOM 0 HG12 ILE A 874 27.474 -6.992 24.820 1.00 23.86 H new ATOM 0 HG13 ILE A 874 27.312 -5.978 25.994 1.00 23.86 H new ATOM 0 HG21 ILE A 874 26.665 -6.849 28.280 1.00 28.80 H new ATOM 0 HG22 ILE A 874 26.264 -8.374 28.432 1.00 28.80 H new ATOM 0 HG23 ILE A 874 27.784 -7.969 28.248 1.00 28.80 H new ATOM 0 HD11 ILE A 874 29.554 -6.331 25.570 1.00 27.24 H new ATOM 0 HD12 ILE A 874 29.210 -6.853 27.025 1.00 27.24 H new ATOM 0 HD13 ILE A 874 29.373 -7.882 25.833 1.00 27.24 H new ATOM 1506 N GLN A 875 26.705 -10.919 27.797 1.00 24.84 N ATOM 1507 CA GLN A 875 26.002 -11.959 28.576 1.00 25.87 C ATOM 1508 C GLN A 875 24.755 -11.354 29.184 1.00 26.98 C ATOM 1509 O GLN A 875 24.829 -10.362 29.845 1.00 25.77 O ATOM 1510 CB GLN A 875 26.889 -12.526 29.709 1.00 28.29 C ATOM 1511 CG GLN A 875 26.183 -13.536 30.720 1.00 28.63 C ATOM 1512 CD GLN A 875 25.581 -14.752 30.041 1.00 29.01 C ATOM 1513 OE1 GLN A 875 26.240 -15.439 29.280 1.00 29.13 O ATOM 1514 NE2 GLN A 875 24.322 -14.991 30.261 1.00 28.19 N ATOM 0 H GLN A 875 27.504 -10.762 28.072 1.00 24.84 H new ATOM 0 HA GLN A 875 25.779 -12.688 27.976 1.00 25.87 H new ATOM 0 HB2 GLN A 875 27.646 -12.979 29.305 1.00 28.29 H new ATOM 0 HB3 GLN A 875 27.243 -11.781 30.220 1.00 28.29 H new ATOM 0 HG2 GLN A 875 26.832 -13.830 31.378 1.00 28.63 H new ATOM 0 HG3 GLN A 875 25.485 -13.065 31.202 1.00 28.63 H new ATOM 0 HE21 GLN A 875 23.878 -14.492 30.803 1.00 28.19 H new ATOM 0 HE22 GLN A 875 23.933 -15.648 29.865 1.00 28.19 H new ATOM 1515 N GLU A 876 23.623 -11.986 28.953 1.00 26.97 N ATOM 1516 CA GLU A 876 22.374 -11.515 29.528 1.00 32.09 C ATOM 1517 C GLU A 876 22.394 -11.620 31.039 1.00 32.57 C ATOM 1518 O GLU A 876 22.901 -12.617 31.621 1.00 28.94 O ATOM 1519 CB GLU A 876 21.210 -12.298 28.952 1.00 35.45 C ATOM 1520 CG GLU A 876 20.896 -11.906 27.497 1.00 42.18 C ATOM 1521 CD GLU A 876 19.992 -10.653 27.396 1.00 46.42 C ATOM 1522 OE1 GLU A 876 18.806 -10.716 27.757 1.00 48.66 O ATOM 1523 OE2 GLU A 876 20.455 -9.593 26.962 1.00 49.80 O ATOM 0 H GLU A 876 23.552 -12.691 28.466 1.00 26.97 H new ATOM 0 HA GLU A 876 22.266 -10.579 29.299 1.00 32.09 H new ATOM 0 HB2 GLU A 876 21.411 -13.246 28.992 1.00 35.45 H new ATOM 0 HB3 GLU A 876 20.423 -12.151 29.500 1.00 35.45 H new ATOM 0 HG2 GLU A 876 21.727 -11.739 27.025 1.00 42.18 H new ATOM 0 HG3 GLU A 876 20.461 -12.650 27.052 1.00 42.18 H new ATOM 1524 N THR A 877 21.876 -10.574 31.688 1.00 36.09 N ATOM 1525 CA THR A 877 21.713 -10.576 33.187 1.00 45.45 C ATOM 1526 C THR A 877 20.378 -10.010 33.635 1.00 58.46 C ATOM 1527 O THR A 877 19.741 -9.272 32.879 1.00 61.88 O ATOM 1528 CB THR A 877 22.807 -9.749 33.919 1.00 48.26 C ATOM 1529 OG1 THR A 877 22.817 -8.421 33.422 1.00 50.67 O ATOM 1530 CG2 THR A 877 24.191 -10.336 33.710 1.00 51.80 C ATOM 0 H THR A 877 21.610 -9.853 31.302 1.00 36.09 H new ATOM 0 HA THR A 877 21.783 -11.514 33.423 1.00 45.45 H new ATOM 0 HB THR A 877 22.595 -9.767 34.865 1.00 48.26 H new ATOM 0 HG1 THR A 877 23.408 -7.977 33.821 1.00 50.67 H new ATOM 0 HG21 THR A 877 24.846 -9.796 34.179 1.00 51.80 H new ATOM 0 HG22 THR A 877 24.214 -11.243 34.054 1.00 51.80 H new ATOM 0 HG23 THR A 877 24.399 -10.345 32.763 1.00 51.80 H new ATOM 1531 N SER A 878 19.962 -10.366 34.857 1.00 76.42 N ATOM 1532 CA SER A 878 18.961 -9.575 35.638 1.00 80.75 C ATOM 1533 C SER A 878 19.694 -8.494 36.408 1.00 74.42 C ATOM 1534 O SER A 878 19.621 -7.334 36.053 1.00 91.23 O ATOM 1535 CB SER A 878 18.199 -10.434 36.655 1.00 82.41 C ATOM 1536 OG SER A 878 19.103 -11.223 37.418 1.00 82.36 O ATOM 0 H SER A 878 20.244 -11.068 35.265 1.00 76.42 H new ATOM 0 HA SER A 878 18.322 -9.209 35.006 1.00 80.75 H new ATOM 0 HB2 SER A 878 17.682 -9.864 37.245 1.00 82.41 H new ATOM 0 HB3 SER A 878 17.569 -11.010 36.193 1.00 82.41 H new ATOM 0 HG SER A 878 18.673 -11.686 37.971 1.00 82.36 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.621 40.746 40.496 1.00 58.53 N ATOM 1539 CA GLU B 700 -5.619 40.859 39.399 1.00 57.28 C ATOM 1540 C GLU B 700 -5.575 39.626 38.428 1.00 57.40 C ATOM 1541 O GLU B 700 -4.777 39.639 37.492 1.00 67.97 O ATOM 1542 CB GLU B 700 -4.232 41.158 39.988 1.00 50.05 C ATOM 0 HA GLU B 700 -5.906 41.600 38.842 1.00 57.28 H new ATOM 1543 N ASN B 701 -6.383 38.576 38.648 1.00 44.84 N ATOM 1544 CA ASN B 701 -6.521 37.473 37.656 1.00 46.40 C ATOM 1545 C ASN B 701 -7.968 37.168 37.248 1.00 47.84 C ATOM 1546 O ASN B 701 -8.878 37.352 38.052 1.00 46.53 O ATOM 1547 CB ASN B 701 -5.894 36.199 38.179 1.00 48.41 C ATOM 1548 CG ASN B 701 -4.379 36.244 38.126 1.00 55.69 C ATOM 1549 OD1 ASN B 701 -3.733 35.729 37.171 1.00 48.67 O ATOM 1550 ND2 ASN B 701 -3.792 36.852 39.146 1.00 56.78 N ATOM 0 H ASN B 701 -6.859 38.477 39.357 1.00 44.84 H new ATOM 0 HA ASN B 701 -6.058 37.792 36.865 1.00 46.40 H new ATOM 0 HB2 ASN B 701 -6.180 36.051 39.094 1.00 48.41 H new ATOM 0 HB3 ASN B 701 -6.212 35.446 37.657 1.00 48.41 H new ATOM 0 HD21 ASN B 701 -2.934 36.909 39.177 1.00 56.78 H new ATOM 0 HD22 ASN B 701 -4.268 37.190 39.777 1.00 56.78 H new ATOM 1551 N SER B 702 -8.173 36.684 36.017 1.00 35.67 N ATOM 1552 CA SER B 702 -9.480 36.262 35.535 1.00 35.48 C ATOM 1553 C SER B 702 -10.100 35.190 36.417 1.00 31.43 C ATOM 1554 O SER B 702 -9.386 34.358 36.975 1.00 31.37 O ATOM 1555 CB SER B 702 -9.320 35.738 34.088 1.00 35.12 C ATOM 1556 OG SER B 702 -10.559 35.288 33.585 1.00 33.82 O ATOM 0 H SER B 702 -7.545 36.593 35.437 1.00 35.67 H new ATOM 0 HA SER B 702 -10.080 37.024 35.559 1.00 35.48 H new ATOM 0 HB2 SER B 702 -8.971 36.443 33.520 1.00 35.12 H new ATOM 0 HB3 SER B 702 -8.675 35.014 34.070 1.00 35.12 H new ATOM 0 HG SER B 702 -10.436 34.617 33.095 1.00 33.82 H new ATOM 1557 N ASN B 703 -11.452 35.188 36.524 1.00 33.57 N ATOM 1558 CA ASN B 703 -12.184 34.067 37.175 1.00 36.33 C ATOM 1559 C ASN B 703 -12.667 33.040 36.198 1.00 32.17 C ATOM 1560 O ASN B 703 -13.509 32.204 36.506 1.00 30.13 O ATOM 1561 CB ASN B 703 -13.375 34.599 37.998 1.00 46.71 C ATOM 1562 CG ASN B 703 -14.336 35.432 37.165 1.00 55.14 C ATOM 1563 OD1 ASN B 703 -13.992 35.954 36.081 1.00 60.03 O ATOM 1564 ND2 ASN B 703 -15.551 35.619 37.699 1.00 72.28 N ATOM 0 H ASN B 703 -11.957 35.818 36.230 1.00 33.57 H new ATOM 0 HA ASN B 703 -11.547 33.632 37.763 1.00 36.33 H new ATOM 0 HB2 ASN B 703 -13.855 33.851 38.387 1.00 46.71 H new ATOM 0 HB3 ASN B 703 -13.041 35.136 38.734 1.00 46.71 H new ATOM 0 HD21 ASN B 703 -16.127 36.113 37.294 1.00 72.28 H new ATOM 0 HD22 ASN B 703 -15.755 35.245 38.446 1.00 72.28 H new ATOM 1565 N ILE B 704 -12.159 33.086 34.958 1.00 32.79 N ATOM 1566 CA ILE B 704 -12.512 32.002 34.013 1.00 32.13 C ATOM 1567 C ILE B 704 -11.226 31.529 33.305 1.00 25.77 C ATOM 1568 O ILE B 704 -10.289 32.292 33.142 1.00 28.67 O ATOM 1569 CB ILE B 704 -13.593 32.382 32.948 1.00 34.46 C ATOM 1570 CG1 ILE B 704 -13.219 33.628 32.180 1.00 37.02 C ATOM 1571 CG2 ILE B 704 -14.980 32.540 33.573 1.00 42.25 C ATOM 1572 CD1 ILE B 704 -14.078 33.863 30.938 1.00 41.01 C ATOM 0 H ILE B 704 -11.637 33.697 34.652 1.00 32.79 H new ATOM 0 HA ILE B 704 -12.915 31.296 34.543 1.00 32.13 H new ATOM 0 HB ILE B 704 -13.627 31.643 32.321 1.00 34.46 H new ATOM 0 HG12 ILE B 704 -13.296 34.396 32.767 1.00 37.02 H new ATOM 0 HG13 ILE B 704 -12.288 33.567 31.913 1.00 37.02 H new ATOM 0 HG21 ILE B 704 -15.621 32.775 32.884 1.00 42.25 H new ATOM 0 HG22 ILE B 704 -15.245 31.705 33.989 1.00 42.25 H new ATOM 0 HG23 ILE B 704 -14.955 33.241 34.243 1.00 42.25 H new ATOM 0 HD11 ILE B 704 -13.788 34.674 30.493 1.00 41.01 H new ATOM 0 HD12 ILE B 704 -13.984 33.111 30.332 1.00 41.01 H new ATOM 0 HD13 ILE B 704 -15.008 33.953 31.200 1.00 41.01 H new ATOM 1573 N CYS B 705 -11.252 30.258 32.947 1.00 25.62 N ATOM 1574 CA CYS B 705 -10.150 29.662 32.140 1.00 23.34 C ATOM 1575 C CYS B 705 -9.989 30.348 30.825 1.00 24.29 C ATOM 1576 O CYS B 705 -10.965 30.443 30.044 1.00 27.23 O ATOM 1577 CB CYS B 705 -10.435 28.221 31.982 1.00 21.24 C ATOM 1578 SG CYS B 705 -9.168 27.229 30.966 1.00 22.87 S ATOM 0 H CYS B 705 -11.884 29.711 33.149 1.00 25.62 H new ATOM 0 HA CYS B 705 -9.304 29.781 32.599 1.00 23.34 H new ATOM 0 HB2 CYS B 705 -10.499 27.823 32.864 1.00 21.24 H new ATOM 0 HB3 CYS B 705 -11.305 28.125 31.564 1.00 21.24 H new ATOM 1579 N GLU B 706 -8.755 30.722 30.493 1.00 23.21 N ATOM 1580 CA GLU B 706 -8.467 31.428 29.240 1.00 24.25 C ATOM 1581 C GLU B 706 -8.828 30.569 28.023 1.00 22.07 C ATOM 1582 O GLU B 706 -9.143 31.124 27.013 1.00 26.42 O ATOM 1583 CB GLU B 706 -6.984 31.699 29.162 1.00 25.96 C ATOM 1584 CG GLU B 706 -6.494 32.581 28.033 1.00 29.51 C ATOM 1585 CD GLU B 706 -6.776 34.051 28.271 1.00 32.08 C ATOM 1586 OE1 GLU B 706 -7.378 34.388 29.340 1.00 36.42 O ATOM 1587 OE2 GLU B 706 -6.328 34.810 27.405 1.00 33.48 O ATOM 0 H GLU B 706 -8.063 30.576 30.983 1.00 23.21 H new ATOM 0 HA GLU B 706 -8.989 32.246 29.232 1.00 24.25 H new ATOM 0 HB2 GLU B 706 -6.709 32.104 29.999 1.00 25.96 H new ATOM 0 HB3 GLU B 706 -6.527 30.846 29.096 1.00 25.96 H new ATOM 0 HG2 GLU B 706 -5.539 32.453 27.920 1.00 29.51 H new ATOM 0 HG3 GLU B 706 -6.917 32.305 27.205 1.00 29.51 H new ATOM 1588 N VAL B 707 -8.752 29.271 28.134 1.00 20.46 N ATOM 1589 CA VAL B 707 -8.921 28.353 27.001 1.00 22.17 C ATOM 1590 C VAL B 707 -10.391 27.986 26.761 1.00 23.19 C ATOM 1591 O VAL B 707 -10.907 28.171 25.663 1.00 24.64 O ATOM 1592 CB VAL B 707 -8.074 27.076 27.196 1.00 20.53 C ATOM 1593 CG1 VAL B 707 -8.206 26.121 25.997 1.00 25.31 C ATOM 1594 CG2 VAL B 707 -6.618 27.452 27.461 1.00 23.04 C ATOM 0 H VAL B 707 -8.598 28.872 28.880 1.00 20.46 H new ATOM 0 HA VAL B 707 -8.607 28.822 26.212 1.00 22.17 H new ATOM 0 HB VAL B 707 -8.412 26.598 27.970 1.00 20.53 H new ATOM 0 HG11 VAL B 707 -7.664 25.332 26.151 1.00 25.31 H new ATOM 0 HG12 VAL B 707 -9.134 25.860 25.892 1.00 25.31 H new ATOM 0 HG13 VAL B 707 -7.904 26.569 25.192 1.00 25.31 H new ATOM 0 HG21 VAL B 707 -6.092 26.646 27.582 1.00 23.04 H new ATOM 0 HG22 VAL B 707 -6.271 27.953 26.707 1.00 23.04 H new ATOM 0 HG23 VAL B 707 -6.565 27.996 28.262 1.00 23.04 H new ATOM 1595 N CYS B 708 -11.076 27.498 27.809 1.00 24.12 N ATOM 1596 CA CYS B 708 -12.439 26.990 27.661 1.00 25.14 C ATOM 1597 C CYS B 708 -13.514 27.950 28.193 1.00 29.03 C ATOM 1598 O CYS B 708 -14.682 27.642 28.034 1.00 29.57 O ATOM 1599 CB CYS B 708 -12.646 25.656 28.331 1.00 24.86 C ATOM 1600 SG CYS B 708 -12.617 25.689 30.157 1.00 25.24 S ATOM 0 H CYS B 708 -10.765 27.455 28.610 1.00 24.12 H new ATOM 0 HA CYS B 708 -12.541 26.896 26.701 1.00 25.14 H new ATOM 0 HB2 CYS B 708 -13.498 25.294 28.042 1.00 24.86 H new ATOM 0 HB3 CYS B 708 -11.959 25.045 28.022 1.00 24.86 H new ATOM 1601 N ASN B 709 -13.111 29.055 28.796 1.00 26.94 N ATOM 1602 CA ASN B 709 -14.008 30.091 29.350 1.00 31.11 C ATOM 1603 C ASN B 709 -14.952 29.632 30.455 1.00 32.43 C ATOM 1604 O ASN B 709 -15.956 30.319 30.681 1.00 36.42 O ATOM 1605 CB ASN B 709 -14.761 30.782 28.222 1.00 32.04 C ATOM 1606 CG ASN B 709 -13.826 31.292 27.155 1.00 39.37 C ATOM 1607 OD1 ASN B 709 -13.683 30.669 26.105 1.00 47.97 O ATOM 1608 ND2 ASN B 709 -13.101 32.358 27.453 1.00 39.44 N ATOM 0 H ASN B 709 -12.278 29.241 28.904 1.00 26.94 H new ATOM 0 HA ASN B 709 -13.424 30.722 29.800 1.00 31.11 H new ATOM 0 HB2 ASN B 709 -15.394 30.162 27.828 1.00 32.04 H new ATOM 0 HB3 ASN B 709 -15.275 31.522 28.582 1.00 32.04 H new ATOM 0 HD21 ASN B 709 -12.503 32.639 26.902 1.00 39.44 H new ATOM 0 HD22 ASN B 709 -13.228 32.770 28.197 1.00 39.44 H new ATOM 1609 N LYS B 710 -14.698 28.501 31.107 1.00 28.24 N ATOM 1610 CA LYS B 710 -15.490 28.008 32.228 1.00 30.01 C ATOM 1611 C LYS B 710 -14.764 28.313 33.567 1.00 34.27 C ATOM 1612 O LYS B 710 -13.533 28.496 33.644 1.00 32.77 O ATOM 1613 CB LYS B 710 -15.661 26.502 32.140 1.00 32.29 C ATOM 1614 CG LYS B 710 -16.357 26.016 30.893 1.00 38.16 C ATOM 1615 CD LYS B 710 -17.556 26.876 30.552 1.00 45.21 C ATOM 1616 CE LYS B 710 -18.359 26.285 29.392 1.00 58.75 C ATOM 1617 NZ LYS B 710 -19.757 26.816 29.314 1.00 62.51 N ATOM 0 H LYS B 710 -14.041 27.985 30.903 1.00 28.24 H new ATOM 0 HA LYS B 710 -16.354 28.448 32.194 1.00 30.01 H new ATOM 0 HB2 LYS B 710 -14.786 26.086 32.190 1.00 32.29 H new ATOM 0 HB3 LYS B 710 -16.163 26.200 32.914 1.00 32.29 H new ATOM 0 HG2 LYS B 710 -15.733 26.021 30.151 1.00 38.16 H new ATOM 0 HG3 LYS B 710 -16.642 25.097 31.018 1.00 38.16 H new ATOM 0 HD2 LYS B 710 -18.127 26.961 31.332 1.00 45.21 H new ATOM 0 HD3 LYS B 710 -17.259 27.770 30.319 1.00 45.21 H new ATOM 0 HE2 LYS B 710 -17.900 26.474 28.559 1.00 58.75 H new ATOM 0 HE3 LYS B 710 -18.390 25.320 29.486 1.00 58.75 H new ATOM 0 HZ1 LYS B 710 -20.179 26.442 28.625 1.00 62.51 H new ATOM 0 HZ2 LYS B 710 -20.190 26.623 30.067 1.00 62.51 H new ATOM 0 HZ3 LYS B 710 -19.734 27.699 29.203 1.00 62.51 H new ATOM 1618 N TRP B 711 -15.551 28.347 34.632 1.00 35.45 N ATOM 1619 CA TRP B 711 -15.092 28.737 35.963 1.00 34.86 C ATOM 1620 C TRP B 711 -14.586 27.484 36.631 1.00 30.11 C ATOM 1621 O TRP B 711 -14.733 26.383 36.127 1.00 31.94 O ATOM 1622 CB TRP B 711 -16.301 29.333 36.816 1.00 38.43 C ATOM 1623 CG TRP B 711 -17.031 28.276 37.604 1.00 46.65 C ATOM 1624 CD1 TRP B 711 -17.684 27.178 37.081 1.00 50.72 C ATOM 1625 CD2 TRP B 711 -17.135 28.156 39.054 1.00 50.71 C ATOM 1626 NE1 TRP B 711 -18.185 26.389 38.108 1.00 58.67 N ATOM 1627 CE2 TRP B 711 -17.870 26.952 39.322 1.00 57.28 C ATOM 1628 CE3 TRP B 711 -16.712 28.961 40.154 1.00 53.26 C ATOM 1629 CZ2 TRP B 711 -18.199 26.522 40.660 1.00 54.50 C ATOM 1630 CZ3 TRP B 711 -17.057 28.535 41.498 1.00 49.66 C ATOM 1631 CH2 TRP B 711 -17.783 27.323 41.722 1.00 49.36 C ATOM 0 H TRP B 711 -16.385 28.140 34.604 1.00 35.45 H new ATOM 0 HA TRP B 711 -14.402 29.416 35.900 1.00 34.86 H new ATOM 0 HB2 TRP B 711 -15.961 30.008 37.424 1.00 38.43 H new ATOM 0 HB3 TRP B 711 -16.925 29.776 36.220 1.00 38.43 H new ATOM 0 HD1 TRP B 711 -17.775 26.994 36.174 1.00 50.72 H new ATOM 0 HE1 TRP B 711 -18.626 25.658 38.001 1.00 58.67 H new ATOM 0 HE3 TRP B 711 -16.226 29.741 40.013 1.00 53.26 H new ATOM 0 HZ2 TRP B 711 -18.673 25.736 40.809 1.00 54.50 H new ATOM 0 HZ3 TRP B 711 -16.802 29.058 42.224 1.00 49.66 H new ATOM 0 HH2 TRP B 711 -17.981 27.065 42.593 1.00 49.36 H new ATOM 1632 N GLY B 712 -14.029 27.674 37.839 1.00 29.71 N ATOM 1633 CA GLY B 712 -13.700 26.570 38.712 1.00 31.48 C ATOM 1634 C GLY B 712 -12.345 25.900 38.552 1.00 33.90 C ATOM 1635 O GLY B 712 -11.892 25.704 37.436 1.00 30.22 O ATOM 0 H GLY B 712 -13.838 28.448 38.161 1.00 29.71 H new ATOM 0 HA2 GLY B 712 -13.767 26.887 39.626 1.00 31.48 H new ATOM 0 HA3 GLY B 712 -14.381 25.889 38.597 1.00 31.48 H new ATOM 1636 N ARG B 713 -11.744 25.501 39.670 1.00 31.74 N ATOM 1637 CA ARG B 713 -10.500 24.686 39.700 1.00 32.04 C ATOM 1638 C ARG B 713 -9.373 25.403 38.918 1.00 24.42 C ATOM 1639 O ARG B 713 -8.695 24.806 38.166 1.00 30.13 O ATOM 1640 CB ARG B 713 -10.838 23.290 39.183 1.00 34.01 C ATOM 1641 CG ARG B 713 -9.983 22.172 39.706 1.00 48.08 C ATOM 1642 CD ARG B 713 -10.421 20.772 39.276 1.00 52.58 C ATOM 1643 NE ARG B 713 -11.633 20.261 39.957 1.00 61.28 N ATOM 1644 CZ ARG B 713 -12.873 20.205 39.448 1.00 69.75 C ATOM 1645 NH1 ARG B 713 -13.868 19.707 40.194 1.00 66.50 N ATOM 1646 NH2 ARG B 713 -13.156 20.651 38.212 1.00 81.08 N ATOM 0 H ARG B 713 -12.043 25.693 40.453 1.00 31.74 H new ATOM 0 HA ARG B 713 -10.156 24.585 40.601 1.00 32.04 H new ATOM 0 HB2 ARG B 713 -11.763 23.097 39.404 1.00 34.01 H new ATOM 0 HB3 ARG B 713 -10.773 23.298 38.215 1.00 34.01 H new ATOM 0 HG2 ARG B 713 -9.070 22.316 39.412 1.00 48.08 H new ATOM 0 HG3 ARG B 713 -9.978 22.212 40.675 1.00 48.08 H new ATOM 0 HD2 ARG B 713 -10.581 20.777 38.319 1.00 52.58 H new ATOM 0 HD3 ARG B 713 -9.690 20.155 39.438 1.00 52.58 H new ATOM 0 HE ARG B 713 -11.532 19.971 40.760 1.00 61.28 H new ATOM 0 HH11 ARG B 713 -13.709 19.427 40.991 1.00 66.50 H new ATOM 0 HH12 ARG B 713 -14.666 19.667 39.876 1.00 66.50 H new ATOM 0 HH21 ARG B 713 -12.533 20.985 37.722 1.00 81.08 H new ATOM 0 HH22 ARG B 713 -13.960 20.603 37.911 1.00 81.08 H new ATOM 1647 N LEU B 714 -9.237 26.703 39.077 1.00 24.97 N ATOM 1648 CA LEU B 714 -8.366 27.506 38.302 1.00 22.16 C ATOM 1649 C LEU B 714 -6.989 27.756 38.943 1.00 29.93 C ATOM 1650 O LEU B 714 -6.847 27.960 40.177 1.00 27.97 O ATOM 1651 CB LEU B 714 -9.045 28.847 38.046 1.00 26.43 C ATOM 1652 CG LEU B 714 -10.285 28.832 37.202 1.00 28.07 C ATOM 1653 CD1 LEU B 714 -10.826 30.244 37.132 1.00 30.55 C ATOM 1654 CD2 LEU B 714 -10.032 28.251 35.753 1.00 26.52 C ATOM 0 H LEU B 714 -9.675 27.148 39.669 1.00 24.97 H new ATOM 0 HA LEU B 714 -8.195 27.017 37.482 1.00 22.16 H new ATOM 0 HB2 LEU B 714 -9.269 29.240 38.904 1.00 26.43 H new ATOM 0 HB3 LEU B 714 -8.400 29.436 37.624 1.00 26.43 H new ATOM 0 HG LEU B 714 -10.933 28.239 37.614 1.00 28.07 H new ATOM 0 HD11 LEU B 714 -11.630 30.256 36.589 1.00 30.55 H new ATOM 0 HD12 LEU B 714 -11.035 30.555 38.027 1.00 30.55 H new ATOM 0 HD13 LEU B 714 -10.160 30.827 36.735 1.00 30.55 H new ATOM 0 HD21 LEU B 714 -10.861 28.263 35.250 1.00 26.52 H new ATOM 0 HD22 LEU B 714 -9.370 28.794 35.297 1.00 26.52 H new ATOM 0 HD23 LEU B 714 -9.709 27.339 35.822 1.00 26.52 H new ATOM 1655 N PHE B 715 -5.973 27.793 38.094 1.00 28.48 N ATOM 1656 CA PHE B 715 -4.592 28.175 38.449 1.00 26.31 C ATOM 1657 C PHE B 715 -4.333 29.480 37.833 1.00 27.64 C ATOM 1658 O PHE B 715 -4.564 29.641 36.641 1.00 27.85 O ATOM 1659 CB PHE B 715 -3.671 27.146 37.879 1.00 26.83 C ATOM 1660 CG PHE B 715 -3.764 25.773 38.527 1.00 26.34 C ATOM 1661 CD1 PHE B 715 -4.656 24.831 38.074 1.00 29.62 C ATOM 1662 CD2 PHE B 715 -2.862 25.394 39.518 1.00 33.70 C ATOM 1663 CE1 PHE B 715 -4.719 23.570 38.656 1.00 33.34 C ATOM 1664 CE2 PHE B 715 -2.892 24.127 40.096 1.00 28.87 C ATOM 1665 CZ PHE B 715 -3.829 23.218 39.696 1.00 32.80 C ATOM 0 H PHE B 715 -6.061 27.591 37.263 1.00 28.48 H new ATOM 0 HA PHE B 715 -4.461 28.228 39.409 1.00 26.31 H new ATOM 0 HB2 PHE B 715 -3.856 27.055 36.931 1.00 26.83 H new ATOM 0 HB3 PHE B 715 -2.759 27.466 37.961 1.00 26.83 H new ATOM 0 HD1 PHE B 715 -5.225 25.040 37.369 1.00 29.62 H new ATOM 0 HD2 PHE B 715 -2.221 26.005 39.802 1.00 33.70 H new ATOM 0 HE1 PHE B 715 -5.350 22.955 38.359 1.00 33.34 H new ATOM 0 HE2 PHE B 715 -2.275 23.901 40.754 1.00 28.87 H new ATOM 0 HZ PHE B 715 -3.881 22.382 40.101 1.00 32.80 H new ATOM 1666 N CYS B 716 -3.866 30.448 38.617 1.00 28.27 N ATOM 1667 CA ACYS B 716 -3.600 31.777 38.082 0.64 30.68 C ATOM 1668 CA BCYS B 716 -3.589 31.806 38.151 0.36 32.03 C ATOM 1669 C CYS B 716 -2.148 31.909 37.713 1.00 28.82 C ATOM 1670 O CYS B 716 -1.261 31.363 38.387 1.00 36.01 O ATOM 1671 CB ACYS B 716 -4.014 32.866 39.084 0.64 34.55 C ATOM 1672 CB BCYS B 716 -3.835 32.835 39.281 0.36 36.63 C ATOM 1673 SG ACYS B 716 -5.690 32.586 39.697 0.64 38.84 S ATOM 1674 SG BCYS B 716 -2.577 32.886 40.604 0.36 46.52 S ATOM 0 H ACYS B 716 -3.698 30.356 39.455 0.64 28.27 H new ATOM 0 H BCYS B 716 -3.698 30.332 39.452 0.36 28.27 H new ATOM 0 HA ACYS B 716 -4.132 31.897 37.280 0.64 32.03 H new ATOM 0 HA BCYS B 716 -4.183 31.998 37.408 0.36 32.03 H new ATOM 0 HB2ACYS B 716 -3.392 32.877 39.828 0.64 36.63 H new ATOM 0 HB2BCYS B 716 -3.896 33.717 38.883 0.36 36.63 H new ATOM 0 HB3ACYS B 716 -3.964 33.736 38.659 0.64 36.63 H new ATOM 0 HB3BCYS B 716 -4.696 32.646 39.685 0.36 36.63 H new ATOM 0 HG ACYS B 716 -6.471 32.701 38.793 0.64 46.52 H new ATOM 0 HG BCYS B 716 -1.589 32.310 40.240 0.36 46.52 H new ATOM 1675 N CYS B 717 -1.908 32.660 36.649 1.00 26.27 N ATOM 1676 CA CYS B 717 -0.569 33.008 36.272 1.00 27.37 C ATOM 1677 C CYS B 717 -0.029 34.137 37.232 1.00 33.87 C ATOM 1678 O CYS B 717 -0.785 35.086 37.587 1.00 36.86 O ATOM 1679 CB CYS B 717 -0.538 33.485 34.818 1.00 26.41 C ATOM 1680 SG CYS B 717 1.125 33.997 34.169 1.00 28.41 S ATOM 0 H CYS B 717 -2.519 32.976 36.133 1.00 26.27 H new ATOM 0 HA CYS B 717 -0.000 32.226 36.350 1.00 27.37 H new ATOM 0 HB2 CYS B 717 -0.881 32.774 34.255 1.00 26.41 H new ATOM 0 HB3 CYS B 717 -1.146 34.235 34.729 1.00 26.41 H new ATOM 1681 N ASP B 718 1.256 34.067 37.596 1.00 31.57 N ATOM 1682 CA ASP B 718 1.870 35.118 38.458 1.00 37.11 C ATOM 1683 C ASP B 718 2.360 36.326 37.712 1.00 38.37 C ATOM 1684 O ASP B 718 2.658 37.337 38.332 1.00 42.48 O ATOM 1685 CB ASP B 718 2.979 34.513 39.313 1.00 41.50 C ATOM 1686 CG ASP B 718 2.416 33.556 40.347 1.00 53.04 C ATOM 1687 OD1 ASP B 718 1.469 33.979 41.045 1.00 57.32 O ATOM 1688 OD2 ASP B 718 2.858 32.384 40.454 1.00 52.68 O ATOM 0 H ASP B 718 1.791 33.435 37.365 1.00 31.57 H new ATOM 0 HA ASP B 718 1.158 35.448 39.028 1.00 37.11 H new ATOM 0 HB2 ASP B 718 3.610 34.044 38.744 1.00 41.50 H new ATOM 0 HB3 ASP B 718 3.470 35.221 39.758 1.00 41.50 H new ATOM 1689 N THR B 719 2.423 36.276 36.387 1.00 35.23 N ATOM 1690 CA THR B 719 2.975 37.394 35.629 1.00 33.16 C ATOM 1691 C THR B 719 2.034 38.041 34.672 1.00 33.56 C ATOM 1692 O THR B 719 2.435 38.937 33.961 1.00 33.35 O ATOM 1693 CB THR B 719 4.296 36.947 34.934 1.00 37.88 C ATOM 1694 OG1 THR B 719 4.128 35.643 34.360 1.00 32.07 O ATOM 1695 CG2 THR B 719 5.407 36.781 35.982 1.00 38.05 C ATOM 0 H THR B 719 2.155 35.612 35.911 1.00 35.23 H new ATOM 0 HA THR B 719 3.159 38.095 36.274 1.00 33.16 H new ATOM 0 HB THR B 719 4.517 37.616 34.267 1.00 37.88 H new ATOM 0 HG1 THR B 719 3.758 35.713 33.609 1.00 32.07 H new ATOM 0 HG21 THR B 719 6.226 36.503 35.544 1.00 38.05 H new ATOM 0 HG22 THR B 719 5.554 37.626 36.435 1.00 38.05 H new ATOM 0 HG23 THR B 719 5.143 36.109 36.630 1.00 38.05 H new ATOM 1696 N CYS B 720 0.793 37.533 34.588 1.00 35.97 N ATOM 1697 CA CYS B 720 -0.253 38.133 33.787 1.00 33.58 C ATOM 1698 C CYS B 720 -1.630 37.796 34.396 1.00 32.52 C ATOM 1699 O CYS B 720 -1.729 36.966 35.296 1.00 30.33 O ATOM 1700 CB CYS B 720 -0.139 37.696 32.341 1.00 35.12 C ATOM 1701 SG CYS B 720 -0.986 36.091 31.945 1.00 29.26 S ATOM 0 H CYS B 720 0.546 36.822 35.004 1.00 35.97 H new ATOM 0 HA CYS B 720 -0.154 39.098 33.794 1.00 33.58 H new ATOM 0 HB2 CYS B 720 -0.510 38.391 31.776 1.00 35.12 H new ATOM 0 HB3 CYS B 720 0.801 37.616 32.113 1.00 35.12 H new ATOM 1702 N PRO B 721 -2.703 38.424 33.901 1.00 32.26 N ATOM 1703 CA PRO B 721 -3.985 38.144 34.567 1.00 34.57 C ATOM 1704 C PRO B 721 -4.726 36.840 34.186 1.00 32.82 C ATOM 1705 O PRO B 721 -5.792 36.566 34.709 1.00 31.00 O ATOM 1706 CB PRO B 721 -4.830 39.353 34.207 1.00 37.47 C ATOM 1707 CG PRO B 721 -4.208 39.964 32.988 1.00 41.25 C ATOM 1708 CD PRO B 721 -2.825 39.426 32.812 1.00 38.51 C ATOM 0 HA PRO B 721 -3.819 37.999 35.512 1.00 34.57 H new ATOM 0 HB2 PRO B 721 -5.748 39.092 34.032 1.00 37.47 H new ATOM 0 HB3 PRO B 721 -4.851 39.989 34.939 1.00 37.47 H new ATOM 0 HG2 PRO B 721 -4.745 39.765 32.205 1.00 41.25 H new ATOM 0 HG3 PRO B 721 -4.181 40.930 33.076 1.00 41.25 H new ATOM 0 HD2 PRO B 721 -2.708 39.021 31.939 1.00 38.51 H new ATOM 0 HD3 PRO B 721 -2.157 40.125 32.893 1.00 38.51 H new ATOM 1709 N ARG B 722 -4.145 36.017 33.308 1.00 30.30 N ATOM 1710 CA ARG B 722 -4.806 34.804 32.843 1.00 28.87 C ATOM 1711 C ARG B 722 -4.905 33.729 33.911 1.00 26.34 C ATOM 1712 O ARG B 722 -4.078 33.633 34.830 1.00 30.59 O ATOM 1713 CB ARG B 722 -4.088 34.291 31.587 1.00 27.90 C ATOM 1714 CG ARG B 722 -4.121 35.245 30.467 1.00 29.69 C ATOM 1715 CD ARG B 722 -3.346 34.680 29.301 1.00 27.88 C ATOM 1716 NE ARG B 722 -3.369 35.499 28.137 1.00 28.52 N ATOM 1717 CZ ARG B 722 -2.466 36.454 27.891 1.00 28.45 C ATOM 1718 NH1 ARG B 722 -1.502 36.730 28.737 1.00 32.46 N ATOM 1719 NH2 ARG B 722 -2.524 37.126 26.779 1.00 30.41 N ATOM 0 H ARG B 722 -3.365 36.148 32.971 1.00 30.30 H new ATOM 0 HA ARG B 722 -5.724 35.029 32.624 1.00 28.87 H new ATOM 0 HB2 ARG B 722 -3.164 34.093 31.808 1.00 27.90 H new ATOM 0 HB3 ARG B 722 -4.497 33.458 31.306 1.00 27.90 H new ATOM 0 HG2 ARG B 722 -5.038 35.419 30.204 1.00 29.69 H new ATOM 0 HG3 ARG B 722 -3.739 36.094 30.741 1.00 29.69 H new ATOM 0 HD2 ARG B 722 -2.424 34.546 29.572 1.00 27.88 H new ATOM 0 HD3 ARG B 722 -3.706 33.807 29.078 1.00 27.88 H new ATOM 0 HE ARG B 722 -3.996 35.373 27.562 1.00 28.52 H new ATOM 0 HH11 ARG B 722 -1.438 36.292 29.474 1.00 32.46 H new ATOM 0 HH12 ARG B 722 -0.934 37.349 28.554 1.00 32.46 H new ATOM 0 HH21 ARG B 722 -3.141 36.955 26.205 1.00 30.41 H new ATOM 0 HH22 ARG B 722 -1.945 37.741 26.617 1.00 30.41 H new ATOM 1720 N SER B 723 -5.944 32.907 33.817 1.00 24.33 N ATOM 1721 CA SER B 723 -6.111 31.766 34.639 1.00 24.65 C ATOM 1722 C SER B 723 -6.412 30.529 33.741 1.00 25.32 C ATOM 1723 O SER B 723 -6.867 30.718 32.602 1.00 25.37 O ATOM 1724 CB SER B 723 -7.289 31.967 35.672 1.00 32.32 C ATOM 1725 OG SER B 723 -7.010 33.119 36.496 1.00 32.10 O ATOM 0 H SER B 723 -6.580 33.018 33.249 1.00 24.33 H new ATOM 0 HA SER B 723 -5.292 31.627 35.140 1.00 24.65 H new ATOM 0 HB2 SER B 723 -8.128 32.089 35.201 1.00 32.32 H new ATOM 0 HB3 SER B 723 -7.386 31.176 36.225 1.00 32.32 H new ATOM 0 HG SER B 723 -7.726 33.526 36.661 1.00 32.10 H new ATOM 1726 N PHE B 724 -6.170 29.321 34.267 1.00 22.13 N ATOM 1727 CA PHE B 724 -6.290 28.098 33.493 1.00 21.98 C ATOM 1728 C PHE B 724 -6.701 26.959 34.301 1.00 21.64 C ATOM 1729 O PHE B 724 -6.265 26.797 35.458 1.00 23.19 O ATOM 1730 CB PHE B 724 -4.886 27.715 32.871 1.00 21.07 C ATOM 1731 CG PHE B 724 -4.304 28.757 31.979 1.00 20.72 C ATOM 1732 CD1 PHE B 724 -3.494 29.818 32.476 1.00 22.54 C ATOM 1733 CD2 PHE B 724 -4.528 28.683 30.575 1.00 23.03 C ATOM 1734 CE1 PHE B 724 -2.989 30.774 31.611 1.00 20.37 C ATOM 1735 CE2 PHE B 724 -3.998 29.607 29.730 1.00 20.40 C ATOM 1736 CZ PHE B 724 -3.235 30.654 30.247 1.00 21.51 C ATOM 0 H PHE B 724 -5.932 29.197 35.084 1.00 22.13 H new ATOM 0 HA PHE B 724 -6.961 28.276 32.815 1.00 21.98 H new ATOM 0 HB2 PHE B 724 -4.262 27.537 33.592 1.00 21.07 H new ATOM 0 HB3 PHE B 724 -4.981 26.891 32.369 1.00 21.07 H new ATOM 0 HD1 PHE B 724 -3.304 29.869 33.385 1.00 22.54 H new ATOM 0 HD2 PHE B 724 -5.045 27.991 30.230 1.00 23.03 H new ATOM 0 HE1 PHE B 724 -2.491 31.488 31.938 1.00 20.37 H new ATOM 0 HE2 PHE B 724 -4.143 29.541 28.814 1.00 20.40 H new ATOM 0 HZ PHE B 724 -2.882 31.288 29.665 1.00 21.51 H new ATOM 1737 N HIS B 725 -7.491 26.069 33.695 1.00 21.85 N ATOM 1738 CA HIS B 725 -7.562 24.711 34.162 1.00 20.53 C ATOM 1739 C HIS B 725 -6.240 23.950 33.986 1.00 24.87 C ATOM 1740 O HIS B 725 -5.443 24.207 33.023 1.00 22.49 O ATOM 1741 CB HIS B 725 -8.683 23.903 33.587 1.00 22.94 C ATOM 1742 CG HIS B 725 -10.019 24.466 33.913 1.00 26.94 C ATOM 1743 ND1 HIS B 725 -10.832 25.018 32.971 1.00 28.98 N ATOM 1744 CD2 HIS B 725 -10.615 24.712 35.116 1.00 25.77 C ATOM 1745 CE1 HIS B 725 -11.925 25.494 33.536 1.00 31.35 C ATOM 1746 NE2 HIS B 725 -11.806 25.323 34.848 1.00 28.31 N ATOM 0 H HIS B 725 -7.987 26.244 33.015 1.00 21.85 H new ATOM 0 HA HIS B 725 -7.747 24.816 35.108 1.00 20.53 H new ATOM 0 HB2 HIS B 725 -8.582 23.856 32.623 1.00 22.94 H new ATOM 0 HB3 HIS B 725 -8.628 22.995 33.923 1.00 22.94 H new ATOM 0 HD2 HIS B 725 -10.275 24.504 35.956 1.00 25.77 H new ATOM 0 HE1 HIS B 725 -12.648 25.879 33.096 1.00 31.35 H new ATOM 0 HE2 HIS B 725 -12.387 25.560 35.436 1.00 28.31 H new ATOM 1747 N GLU B 726 -6.011 23.010 34.907 1.00 24.74 N ATOM 1748 CA GLU B 726 -4.753 22.212 34.888 1.00 27.26 C ATOM 1749 C GLU B 726 -4.414 21.654 33.488 1.00 25.90 C ATOM 1750 O GLU B 726 -3.297 21.818 32.987 1.00 26.81 O ATOM 1751 CB GLU B 726 -4.853 21.044 35.852 1.00 30.81 C ATOM 1752 CG GLU B 726 -3.538 20.299 35.991 1.00 34.46 C ATOM 1753 CD GLU B 726 -3.570 19.273 37.140 1.00 43.18 C ATOM 1754 OE1 GLU B 726 -4.548 19.255 37.943 1.00 39.61 O ATOM 1755 OE2 GLU B 726 -2.611 18.473 37.222 1.00 42.85 O ATOM 0 H GLU B 726 -6.553 22.813 35.545 1.00 24.74 H new ATOM 0 HA GLU B 726 -4.046 22.821 35.152 1.00 27.26 H new ATOM 0 HB2 GLU B 726 -5.132 21.368 36.722 1.00 30.81 H new ATOM 0 HB3 GLU B 726 -5.539 20.431 35.544 1.00 30.81 H new ATOM 0 HG2 GLU B 726 -3.336 19.844 35.158 1.00 34.46 H new ATOM 0 HG3 GLU B 726 -2.823 20.935 36.147 1.00 34.46 H new ATOM 1756 N HIS B 727 -5.374 20.994 32.885 1.00 24.78 N ATOM 1757 CA HIS B 727 -5.230 20.348 31.622 1.00 26.30 C ATOM 1758 C HIS B 727 -5.766 21.103 30.398 1.00 24.93 C ATOM 1759 O HIS B 727 -5.667 20.583 29.273 1.00 24.41 O ATOM 1760 CB HIS B 727 -5.872 18.999 31.710 1.00 30.19 C ATOM 1761 CG HIS B 727 -5.298 18.160 32.800 1.00 34.76 C ATOM 1762 ND1 HIS B 727 -3.997 17.693 32.777 1.00 37.25 N ATOM 1763 CD2 HIS B 727 -5.855 17.668 33.927 1.00 37.67 C ATOM 1764 CE1 HIS B 727 -3.776 16.959 33.857 1.00 41.10 C ATOM 1765 NE2 HIS B 727 -4.886 16.936 34.577 1.00 38.59 N ATOM 0 H HIS B 727 -6.161 20.910 33.221 1.00 24.78 H new ATOM 0 HA HIS B 727 -4.274 20.301 31.462 1.00 26.30 H new ATOM 0 HB2 HIS B 727 -6.825 19.107 31.857 1.00 30.19 H new ATOM 0 HB3 HIS B 727 -5.767 18.539 30.863 1.00 30.19 H new ATOM 0 HD2 HIS B 727 -6.731 17.799 34.212 1.00 37.67 H new ATOM 0 HE1 HIS B 727 -2.978 16.533 34.072 1.00 41.10 H new ATOM 0 HE2 HIS B 727 -4.986 16.530 35.329 1.00 38.59 H new ATOM 1766 N CYS B 728 -6.235 22.318 30.601 1.00 21.57 N ATOM 1767 CA CYS B 728 -6.489 23.265 29.530 1.00 22.86 C ATOM 1768 C CYS B 728 -5.194 23.963 29.117 1.00 21.21 C ATOM 1769 O CYS B 728 -4.957 24.168 27.930 1.00 19.09 O ATOM 1770 CB CYS B 728 -7.562 24.316 29.879 1.00 23.80 C ATOM 1771 SG CYS B 728 -9.256 23.657 29.845 1.00 24.24 S ATOM 0 H CYS B 728 -6.420 22.625 31.383 1.00 21.57 H new ATOM 0 HA CYS B 728 -6.838 22.746 28.789 1.00 22.86 H new ATOM 0 HB2 CYS B 728 -7.379 24.674 30.762 1.00 23.80 H new ATOM 0 HB3 CYS B 728 -7.497 25.055 29.254 1.00 23.80 H new ATOM 1772 N HIS B 729 -4.356 24.294 30.084 1.00 19.60 N ATOM 1773 CA HIS B 729 -3.051 24.855 29.748 1.00 20.78 C ATOM 1774 C HIS B 729 -2.248 23.741 29.073 1.00 19.67 C ATOM 1775 O HIS B 729 -2.444 22.555 29.404 1.00 19.84 O ATOM 1776 CB HIS B 729 -2.336 25.313 31.031 1.00 21.72 C ATOM 1777 CG HIS B 729 -1.124 26.171 30.770 1.00 20.75 C ATOM 1778 ND1 HIS B 729 0.167 25.662 30.627 1.00 21.80 N ATOM 1779 CD2 HIS B 729 -1.024 27.498 30.601 1.00 22.24 C ATOM 1780 CE1 HIS B 729 1.000 26.655 30.413 1.00 22.39 C ATOM 1781 NE2 HIS B 729 0.302 27.772 30.384 1.00 24.29 N ATOM 0 H HIS B 729 -4.514 24.206 30.925 1.00 19.60 H new ATOM 0 HA HIS B 729 -3.141 25.622 29.161 1.00 20.78 H new ATOM 0 HB2 HIS B 729 -2.962 25.809 31.582 1.00 21.72 H new ATOM 0 HB3 HIS B 729 -2.067 24.532 31.539 1.00 21.72 H new ATOM 0 HD1 HIS B 729 0.383 24.831 30.672 1.00 21.80 H new ATOM 0 HD2 HIS B 729 -1.720 28.114 30.626 1.00 22.24 H new ATOM 0 HE1 HIS B 729 1.920 26.582 30.302 1.00 22.39 H new ATOM 1782 N ILE B 730 -1.327 24.143 28.200 1.00 19.84 N ATOM 1783 CA ILE B 730 -0.387 23.225 27.526 1.00 19.77 C ATOM 1784 C ILE B 730 0.994 23.800 27.652 1.00 21.73 C ATOM 1785 O ILE B 730 1.205 24.943 27.329 1.00 24.00 O ATOM 1786 CB ILE B 730 -0.750 22.987 26.046 1.00 20.66 C ATOM 1787 CG1 ILE B 730 -2.207 22.644 25.884 1.00 21.53 C ATOM 1788 CG2 ILE B 730 0.093 21.824 25.440 1.00 22.26 C ATOM 1789 CD1 ILE B 730 -2.727 22.396 24.446 1.00 21.77 C ATOM 0 H ILE B 730 -1.223 24.966 27.975 1.00 19.84 H new ATOM 0 HA ILE B 730 -0.436 22.356 27.954 1.00 19.77 H new ATOM 0 HB ILE B 730 -0.556 23.814 25.578 1.00 20.66 H new ATOM 0 HG12 ILE B 730 -2.388 21.849 26.409 1.00 21.53 H new ATOM 0 HG13 ILE B 730 -2.729 23.364 26.271 1.00 21.53 H new ATOM 0 HG21 ILE B 730 -0.154 21.695 24.511 1.00 22.26 H new ATOM 0 HG22 ILE B 730 1.036 22.044 25.496 1.00 22.26 H new ATOM 0 HG23 ILE B 730 -0.078 21.008 25.936 1.00 22.26 H new ATOM 0 HD11 ILE B 730 -3.673 22.185 24.476 1.00 21.77 H new ATOM 0 HD12 ILE B 730 -2.590 23.193 23.910 1.00 21.77 H new ATOM 0 HD13 ILE B 730 -2.243 21.654 24.050 1.00 21.77 H new ATOM 1790 N PRO B 731 1.951 23.024 28.163 1.00 22.90 N ATOM 1791 CA PRO B 731 1.756 21.736 28.901 1.00 23.58 C ATOM 1792 C PRO B 731 0.921 21.911 30.151 1.00 25.00 C ATOM 1793 O PRO B 731 0.704 23.078 30.563 1.00 24.51 O ATOM 1794 CB PRO B 731 3.166 21.328 29.300 1.00 27.68 C ATOM 1795 CG PRO B 731 4.043 22.475 28.943 1.00 29.74 C ATOM 1796 CD PRO B 731 3.316 23.562 28.263 1.00 26.68 C ATOM 0 HA PRO B 731 1.291 21.085 28.353 1.00 23.58 H new ATOM 0 HB2 PRO B 731 3.216 21.135 30.249 1.00 27.68 H new ATOM 0 HB3 PRO B 731 3.440 20.523 28.833 1.00 27.68 H new ATOM 0 HG2 PRO B 731 4.457 22.823 29.748 1.00 29.74 H new ATOM 0 HG3 PRO B 731 4.759 22.162 28.369 1.00 29.74 H new ATOM 0 HD2 PRO B 731 3.342 24.387 28.773 1.00 26.68 H new ATOM 0 HD3 PRO B 731 3.692 23.756 27.390 1.00 26.68 H new ATOM 1797 N SER B 732 0.392 20.820 30.660 1.00 23.91 N ATOM 1798 CA SER B 732 -0.375 20.874 31.941 1.00 27.39 C ATOM 1799 C SER B 732 0.323 21.699 33.042 1.00 29.91 C ATOM 1800 O SER B 732 1.570 21.808 33.126 1.00 28.97 O ATOM 1801 CB SER B 732 -0.590 19.518 32.471 1.00 31.86 C ATOM 1802 OG SER B 732 -1.382 18.805 31.591 1.00 38.91 O ATOM 0 H SER B 732 0.450 20.039 30.305 1.00 23.91 H new ATOM 0 HA SER B 732 -1.214 21.307 31.719 1.00 27.39 H new ATOM 0 HB2 SER B 732 0.261 19.069 32.594 1.00 31.86 H new ATOM 0 HB3 SER B 732 -1.015 19.563 33.342 1.00 31.86 H new ATOM 0 HG SER B 732 -2.071 18.536 31.989 1.00 38.91 H new ATOM 1803 N VAL B 733 -0.479 22.358 33.848 1.00 28.58 N ATOM 1804 CA VAL B 733 0.050 23.293 34.849 1.00 29.94 C ATOM 1805 C VAL B 733 0.939 22.491 35.802 1.00 31.13 C ATOM 1806 O VAL B 733 0.578 21.409 36.142 1.00 30.67 O ATOM 1807 CB VAL B 733 -1.086 24.002 35.625 1.00 28.45 C ATOM 1808 CG1 VAL B 733 -0.544 24.904 36.726 1.00 28.48 C ATOM 1809 CG2 VAL B 733 -1.927 24.868 34.684 1.00 24.19 C ATOM 0 H VAL B 733 -1.336 22.287 33.842 1.00 28.58 H new ATOM 0 HA VAL B 733 0.560 23.991 34.409 1.00 29.94 H new ATOM 0 HB VAL B 733 -1.628 23.300 36.019 1.00 28.45 H new ATOM 0 HG11 VAL B 733 -1.283 25.330 37.189 1.00 28.48 H new ATOM 0 HG12 VAL B 733 -0.031 24.374 37.356 1.00 28.48 H new ATOM 0 HG13 VAL B 733 0.027 25.584 36.336 1.00 28.48 H new ATOM 0 HG21 VAL B 733 -2.632 25.303 35.188 1.00 24.19 H new ATOM 0 HG22 VAL B 733 -1.363 25.541 34.272 1.00 24.19 H new ATOM 0 HG23 VAL B 733 -2.320 24.310 33.995 1.00 24.19 H new ATOM 1810 N GLU B 734 2.145 23.001 36.137 1.00 34.97 N ATOM 1811 CA GLU B 734 2.994 22.415 37.237 1.00 44.36 C ATOM 1812 C GLU B 734 2.376 22.948 38.540 1.00 44.56 C ATOM 1813 O GLU B 734 2.595 24.117 38.926 1.00 45.75 O ATOM 1814 CB GLU B 734 4.444 22.864 37.141 1.00 51.11 C ATOM 1815 CG GLU B 734 5.127 22.490 35.830 1.00 62.23 C ATOM 1816 CD GLU B 734 4.831 23.431 34.683 1.00 75.59 C ATOM 1817 OE1 GLU B 734 4.462 24.598 34.958 1.00 89.26 O ATOM 1818 OE2 GLU B 734 4.951 23.005 33.499 1.00 94.69 O ATOM 0 H GLU B 734 2.497 23.682 35.748 1.00 34.97 H new ATOM 0 HA GLU B 734 3.005 21.446 37.185 1.00 44.36 H new ATOM 0 HB2 GLU B 734 4.482 23.827 37.251 1.00 51.11 H new ATOM 0 HB3 GLU B 734 4.942 22.475 37.877 1.00 51.11 H new ATOM 0 HG2 GLU B 734 6.086 22.463 35.973 1.00 62.23 H new ATOM 0 HG3 GLU B 734 4.853 21.594 35.579 1.00 62.23 H new ATOM 1819 N ALA B 735 1.543 22.112 39.155 1.00 46.46 N ATOM 1820 CA ALA B 735 0.743 22.461 40.346 1.00 51.68 C ATOM 1821 C ALA B 735 1.608 22.799 41.592 1.00 60.05 C ATOM 1822 O ALA B 735 1.244 23.662 42.415 1.00 59.17 O ATOM 1823 CB ALA B 735 -0.227 21.309 40.667 1.00 54.43 C ATOM 0 H ALA B 735 1.419 21.303 38.890 1.00 46.46 H new ATOM 0 HA ALA B 735 0.250 23.268 40.132 1.00 51.68 H new ATOM 0 HB1 ALA B 735 -0.753 21.537 41.449 1.00 54.43 H new ATOM 0 HB2 ALA B 735 -0.818 21.163 39.912 1.00 54.43 H new ATOM 0 HB3 ALA B 735 0.278 20.500 40.842 1.00 54.43 H new ATOM 1824 N ASN B 736 2.717 22.068 41.711 1.00 56.87 N ATOM 1825 CA ASN B 736 3.815 22.316 42.657 1.00 69.53 C ATOM 1826 C ASN B 736 4.556 23.684 42.600 1.00 74.61 C ATOM 1827 O ASN B 736 5.227 24.033 43.579 1.00 70.69 O ATOM 1828 CB ASN B 736 4.899 21.273 42.368 1.00 76.11 C ATOM 1829 CG ASN B 736 5.435 21.403 40.936 1.00 78.92 C ATOM 1830 OD1 ASN B 736 4.707 21.132 39.970 1.00 80.07 O ATOM 1831 ND2 ASN B 736 6.661 21.905 40.793 1.00 84.93 N ATOM 0 H ASN B 736 2.859 21.378 41.218 1.00 56.87 H new ATOM 0 HA ASN B 736 3.379 22.287 43.523 1.00 69.53 H new ATOM 0 HB2 ASN B 736 5.628 21.379 42.999 1.00 76.11 H new ATOM 0 HB3 ASN B 736 4.537 20.383 42.500 1.00 76.11 H new ATOM 0 HD21 ASN B 736 6.976 22.053 40.007 1.00 84.93 H new ATOM 0 HD22 ASN B 736 7.137 22.081 41.487 1.00 84.93 H new ATOM 1832 N LYS B 737 4.506 24.404 41.462 1.00 76.39 N ATOM 1833 CA LYS B 737 5.414 25.566 41.192 1.00 74.33 C ATOM 1834 C LYS B 737 4.854 26.902 41.638 1.00 73.15 C ATOM 1835 O LYS B 737 3.645 27.123 41.584 1.00 62.35 O ATOM 1836 CB LYS B 737 5.791 25.674 39.703 1.00 74.40 C ATOM 1837 CG LYS B 737 7.119 25.017 39.350 1.00 80.25 C ATOM 1838 CD LYS B 737 7.704 25.536 38.051 1.00 83.12 C ATOM 1839 CE LYS B 737 7.922 27.038 38.098 1.00 87.55 C ATOM 1840 NZ LYS B 737 9.100 27.461 37.305 1.00 90.67 N ATOM 0 H LYS B 737 3.952 24.241 40.824 1.00 76.39 H new ATOM 0 HA LYS B 737 6.202 25.375 41.724 1.00 74.33 H new ATOM 0 HB2 LYS B 737 5.089 25.268 39.171 1.00 74.40 H new ATOM 0 HB3 LYS B 737 5.829 26.611 39.456 1.00 74.40 H new ATOM 0 HG2 LYS B 737 7.752 25.170 40.069 1.00 80.25 H new ATOM 0 HG3 LYS B 737 6.993 24.058 39.283 1.00 80.25 H new ATOM 0 HD2 LYS B 737 8.548 25.091 37.874 1.00 83.12 H new ATOM 0 HD3 LYS B 737 7.109 25.317 37.317 1.00 83.12 H new ATOM 0 HE2 LYS B 737 7.131 27.488 37.763 1.00 87.55 H new ATOM 0 HE3 LYS B 737 8.038 27.317 39.020 1.00 87.55 H new ATOM 0 HZ1 LYS B 737 9.192 28.345 37.359 1.00 90.67 H new ATOM 0 HZ2 LYS B 737 9.831 27.067 37.625 1.00 90.67 H new ATOM 0 HZ3 LYS B 737 8.985 27.226 36.454 1.00 90.67 H new ATOM 1841 N ASN B 738 5.748 27.799 42.054 1.00 75.48 N ATOM 1842 CA ASN B 738 5.342 29.042 42.706 1.00 75.10 C ATOM 1843 C ASN B 738 6.545 29.984 42.895 1.00 70.83 C ATOM 1844 O ASN B 738 7.252 29.856 43.872 1.00 82.72 O ATOM 1845 CB ASN B 738 4.643 28.742 44.052 1.00 80.81 C ATOM 1846 CG ASN B 738 3.606 29.783 44.410 1.00 86.62 C ATOM 1847 OD1 ASN B 738 3.876 30.980 44.337 1.00105.71 O ATOM 1848 ND2 ASN B 738 2.412 29.336 44.778 1.00 83.84 N ATOM 0 H ASN B 738 6.598 27.705 41.967 1.00 75.48 H new ATOM 0 HA ASN B 738 4.705 29.496 42.132 1.00 75.10 H new ATOM 0 HB2 ASN B 738 4.220 27.870 44.006 1.00 80.81 H new ATOM 0 HB3 ASN B 738 5.309 28.697 44.756 1.00 80.81 H new ATOM 0 HD21 ASN B 738 1.787 29.892 44.978 1.00 83.84 H new ATOM 0 HD22 ASN B 738 2.263 28.490 44.817 1.00 83.84 H new ATOM 1849 N PRO B 739 6.770 30.954 42.008 1.00 61.80 N ATOM 1850 CA PRO B 739 5.783 31.412 41.059 1.00 54.33 C ATOM 1851 C PRO B 739 5.735 30.547 39.789 1.00 46.46 C ATOM 1852 O PRO B 739 6.740 29.917 39.387 1.00 46.41 O ATOM 1853 CB PRO B 739 6.264 32.831 40.732 1.00 53.79 C ATOM 1854 CG PRO B 739 7.745 32.728 40.805 1.00 55.69 C ATOM 1855 CD PRO B 739 7.983 31.790 41.960 1.00 53.61 C ATOM 0 HA PRO B 739 4.882 31.370 41.415 1.00 54.33 H new ATOM 0 HB2 PRO B 739 5.970 33.113 39.852 1.00 53.79 H new ATOM 0 HB3 PRO B 739 5.920 33.479 41.367 1.00 53.79 H new ATOM 0 HG2 PRO B 739 8.119 32.380 39.980 1.00 55.69 H new ATOM 0 HG3 PRO B 739 8.155 33.594 40.959 1.00 55.69 H new ATOM 0 HD2 PRO B 739 8.778 31.252 41.821 1.00 53.61 H new ATOM 0 HD3 PRO B 739 8.111 32.276 42.790 1.00 53.61 H new ATOM 1856 N TRP B 740 4.541 30.530 39.197 1.00 37.57 N ATOM 1857 CA TRP B 740 4.243 29.816 37.942 1.00 33.81 C ATOM 1858 C TRP B 740 3.864 30.876 36.925 1.00 32.42 C ATOM 1859 O TRP B 740 2.984 31.726 37.201 1.00 35.85 O ATOM 1860 CB TRP B 740 3.089 28.860 38.133 1.00 34.29 C ATOM 1861 CG TRP B 740 2.724 28.147 36.881 1.00 31.90 C ATOM 1862 CD1 TRP B 740 3.401 27.123 36.302 1.00 35.56 C ATOM 1863 CD2 TRP B 740 1.616 28.437 36.033 1.00 27.06 C ATOM 1864 NE1 TRP B 740 2.769 26.741 35.148 1.00 33.14 N ATOM 1865 CE2 TRP B 740 1.667 27.542 34.965 1.00 30.29 C ATOM 1866 CE3 TRP B 740 0.536 29.348 36.110 1.00 30.51 C ATOM 1867 CZ2 TRP B 740 0.689 27.539 33.931 1.00 26.82 C ATOM 1868 CZ3 TRP B 740 -0.442 29.345 35.125 1.00 26.75 C ATOM 1869 CH2 TRP B 740 -0.341 28.424 34.035 1.00 27.46 C ATOM 0 H TRP B 740 3.859 30.944 39.519 1.00 37.57 H new ATOM 0 HA TRP B 740 5.009 29.297 37.652 1.00 33.81 H new ATOM 0 HB2 TRP B 740 3.321 28.211 38.815 1.00 34.29 H new ATOM 0 HB3 TRP B 740 2.318 29.350 38.459 1.00 34.29 H new ATOM 0 HD1 TRP B 740 4.178 26.738 36.638 1.00 35.56 H new ATOM 0 HE1 TRP B 740 3.020 26.106 34.625 1.00 33.14 H new ATOM 0 HE3 TRP B 740 0.482 29.947 36.819 1.00 30.51 H new ATOM 0 HZ2 TRP B 740 0.751 26.954 33.211 1.00 26.82 H new ATOM 0 HZ3 TRP B 740 -1.157 29.937 35.173 1.00 26.75 H new ATOM 0 HH2 TRP B 740 -0.999 28.430 33.377 1.00 27.46 H new ATOM 1870 N SER B 741 4.519 30.848 35.766 1.00 27.38 N ATOM 1871 CA SER B 741 4.168 31.695 34.640 1.00 26.06 C ATOM 1872 C SER B 741 3.566 30.812 33.557 1.00 29.50 C ATOM 1873 O SER B 741 4.146 29.724 33.268 1.00 25.42 O ATOM 1874 CB SER B 741 5.369 32.387 34.054 1.00 30.16 C ATOM 1875 OG SER B 741 5.668 33.582 34.738 1.00 34.20 O ATOM 0 H SER B 741 5.187 30.329 35.614 1.00 27.38 H new ATOM 0 HA SER B 741 3.548 32.372 34.953 1.00 26.06 H new ATOM 0 HB2 SER B 741 6.135 31.793 34.091 1.00 30.16 H new ATOM 0 HB3 SER B 741 5.206 32.582 33.118 1.00 30.16 H new ATOM 0 HG SER B 741 5.146 34.189 34.483 1.00 34.20 H new ATOM 1876 N CYS B 742 2.509 31.336 32.889 1.00 25.92 N ATOM 1877 CA CYS B 742 1.840 30.628 31.818 1.00 23.88 C ATOM 1878 C CYS B 742 2.607 30.682 30.500 1.00 22.95 C ATOM 1879 O CYS B 742 3.549 31.461 30.331 1.00 21.47 O ATOM 1880 CB CYS B 742 0.441 31.235 31.629 1.00 24.38 C ATOM 1881 SG CYS B 742 0.313 32.756 30.679 1.00 23.79 S ATOM 0 H CYS B 742 2.176 32.111 33.059 1.00 25.92 H new ATOM 0 HA CYS B 742 1.785 29.693 32.069 1.00 23.88 H new ATOM 0 HB2 CYS B 742 -0.119 30.568 31.202 1.00 24.38 H new ATOM 0 HB3 CYS B 742 0.065 31.399 32.508 1.00 24.38 H new ATOM 1882 N ILE B 743 2.092 29.946 29.510 1.00 21.48 N ATOM 1883 CA ILE B 743 2.679 29.852 28.231 1.00 22.07 C ATOM 1884 C ILE B 743 2.685 31.175 27.433 1.00 23.85 C ATOM 1885 O ILE B 743 3.632 31.479 26.714 1.00 21.79 O ATOM 1886 CB ILE B 743 2.144 28.686 27.417 1.00 23.39 C ATOM 1887 CG1 ILE B 743 3.083 28.443 26.199 1.00 23.34 C ATOM 1888 CG2 ILE B 743 0.680 28.848 27.013 1.00 23.18 C ATOM 1889 CD1 ILE B 743 2.922 27.050 25.626 1.00 25.54 C ATOM 0 H ILE B 743 1.371 29.485 29.593 1.00 21.48 H new ATOM 0 HA ILE B 743 3.613 29.662 28.409 1.00 22.07 H new ATOM 0 HB ILE B 743 2.148 27.896 27.980 1.00 23.39 H new ATOM 0 HG12 ILE B 743 2.894 29.099 25.510 1.00 23.34 H new ATOM 0 HG13 ILE B 743 4.005 28.575 26.471 1.00 23.34 H new ATOM 0 HG21 ILE B 743 0.399 28.075 26.498 1.00 23.18 H new ATOM 0 HG22 ILE B 743 0.131 28.923 27.809 1.00 23.18 H new ATOM 0 HG23 ILE B 743 0.579 29.649 26.475 1.00 23.18 H new ATOM 0 HD11 ILE B 743 3.522 26.939 24.872 1.00 25.54 H new ATOM 0 HD12 ILE B 743 3.135 26.393 26.307 1.00 25.54 H new ATOM 0 HD13 ILE B 743 2.006 26.925 25.331 1.00 25.54 H new ATOM 1890 N PHE B 744 1.646 31.987 27.577 1.00 22.32 N ATOM 1891 CA PHE B 744 1.667 33.321 26.919 1.00 22.89 C ATOM 1892 C PHE B 744 2.864 34.136 27.404 1.00 23.65 C ATOM 1893 O PHE B 744 3.562 34.773 26.592 1.00 25.28 O ATOM 1894 CB PHE B 744 0.356 34.104 27.228 1.00 24.27 C ATOM 1895 CG PHE B 744 -0.887 33.509 26.657 1.00 23.19 C ATOM 1896 CD1 PHE B 744 -1.520 32.420 27.187 1.00 23.30 C ATOM 1897 CD2 PHE B 744 -1.394 34.006 25.504 1.00 21.65 C ATOM 1898 CE1 PHE B 744 -2.667 31.887 26.562 1.00 21.22 C ATOM 1899 CE2 PHE B 744 -2.526 33.523 24.917 1.00 23.09 C ATOM 1900 CZ PHE B 744 -3.190 32.470 25.443 1.00 22.45 C ATOM 0 H PHE B 744 0.937 31.809 28.030 1.00 22.32 H new ATOM 0 HA PHE B 744 1.739 33.182 25.962 1.00 22.89 H new ATOM 0 HB2 PHE B 744 0.254 34.169 28.190 1.00 24.27 H new ATOM 0 HB3 PHE B 744 0.449 35.009 26.891 1.00 24.27 H new ATOM 0 HD1 PHE B 744 -1.193 32.028 27.964 1.00 23.30 H new ATOM 0 HD2 PHE B 744 -0.949 34.711 25.092 1.00 21.65 H new ATOM 0 HE1 PHE B 744 -3.072 31.129 26.917 1.00 21.22 H new ATOM 0 HE2 PHE B 744 -2.846 33.925 24.142 1.00 23.09 H new ATOM 0 HZ PHE B 744 -3.975 32.154 25.057 1.00 22.45 H new ATOM 1901 N CYS B 745 3.068 34.154 28.724 1.00 23.81 N ATOM 1902 CA CYS B 745 4.193 34.843 29.349 1.00 25.30 C ATOM 1903 C CYS B 745 5.567 34.278 28.923 1.00 26.19 C ATOM 1904 O CYS B 745 6.495 35.019 28.590 1.00 24.40 O ATOM 1905 CB CYS B 745 4.066 34.769 30.826 1.00 24.28 C ATOM 1906 SG CYS B 745 2.709 35.850 31.460 1.00 29.31 S ATOM 0 H CYS B 745 2.549 33.761 29.286 1.00 23.81 H new ATOM 0 HA CYS B 745 4.159 35.764 29.047 1.00 25.30 H new ATOM 0 HB2 CYS B 745 3.897 33.851 31.089 1.00 24.28 H new ATOM 0 HB3 CYS B 745 4.905 35.031 31.235 1.00 24.28 H new ATOM 1907 N ARG B 746 5.689 32.946 28.923 1.00 25.41 N ATOM 1908 CA ARG B 746 6.919 32.300 28.449 1.00 23.42 C ATOM 1909 C ARG B 746 7.292 32.551 27.010 1.00 26.05 C ATOM 1910 O ARG B 746 8.483 32.728 26.712 1.00 27.65 O ATOM 1911 CB ARG B 746 6.854 30.796 28.711 1.00 25.25 C ATOM 1912 CG ARG B 746 6.849 30.532 30.202 1.00 28.57 C ATOM 1913 CD ARG B 746 6.551 29.114 30.545 1.00 27.60 C ATOM 1914 NE ARG B 746 7.584 28.187 30.051 1.00 30.60 N ATOM 1915 CZ ARG B 746 7.476 26.848 30.051 1.00 30.58 C ATOM 1916 NH1 ARG B 746 6.360 26.230 30.455 1.00 29.35 N ATOM 1917 NH2 ARG B 746 8.526 26.137 29.622 1.00 30.33 N ATOM 0 H ARG B 746 5.078 32.403 29.191 1.00 25.41 H new ATOM 0 HA ARG B 746 7.626 32.722 28.963 1.00 23.42 H new ATOM 0 HB2 ARG B 746 6.055 30.423 28.306 1.00 25.25 H new ATOM 0 HB3 ARG B 746 7.613 30.355 28.299 1.00 25.25 H new ATOM 0 HG2 ARG B 746 7.713 30.773 30.570 1.00 28.57 H new ATOM 0 HG3 ARG B 746 6.191 31.106 30.624 1.00 28.57 H new ATOM 0 HD2 ARG B 746 6.475 29.026 31.508 1.00 27.60 H new ATOM 0 HD3 ARG B 746 5.692 28.867 30.169 1.00 27.60 H new ATOM 0 HE ARG B 746 8.309 28.528 29.740 1.00 30.60 H new ATOM 0 HH11 ARG B 746 5.686 26.692 30.724 1.00 29.35 H new ATOM 0 HH12 ARG B 746 6.316 25.371 30.445 1.00 29.35 H new ATOM 0 HH21 ARG B 746 9.239 26.539 29.358 1.00 30.33 H new ATOM 0 HH22 ARG B 746 8.488 25.278 29.610 1.00 30.33 H new ATOM 1918 N ILE B 747 6.322 32.493 26.122 1.00 22.97 N ATOM 1919 CA ILE B 747 6.476 32.832 24.718 1.00 24.23 C ATOM 1920 C ILE B 747 6.885 34.305 24.561 1.00 26.66 C ATOM 1921 O ILE B 747 7.750 34.636 23.749 1.00 25.86 O ATOM 1922 CB ILE B 747 5.179 32.545 23.936 1.00 24.04 C ATOM 1923 CG1 ILE B 747 4.951 31.004 23.822 1.00 27.71 C ATOM 1924 CG2 ILE B 747 5.222 33.120 22.553 1.00 25.50 C ATOM 1925 CD1 ILE B 747 5.938 30.329 22.869 1.00 29.35 C ATOM 0 H ILE B 747 5.523 32.246 26.324 1.00 22.97 H new ATOM 0 HA ILE B 747 7.180 32.275 24.349 1.00 24.23 H new ATOM 0 HB ILE B 747 4.453 32.963 24.426 1.00 24.04 H new ATOM 0 HG12 ILE B 747 5.031 30.603 24.702 1.00 27.71 H new ATOM 0 HG13 ILE B 747 4.046 30.837 23.516 1.00 27.71 H new ATOM 0 HG21 ILE B 747 4.392 32.920 22.093 1.00 25.50 H new ATOM 0 HG22 ILE B 747 5.338 34.082 22.606 1.00 25.50 H new ATOM 0 HG23 ILE B 747 5.964 32.731 22.064 1.00 25.50 H new ATOM 0 HD11 ILE B 747 5.755 29.377 22.834 1.00 29.35 H new ATOM 0 HD12 ILE B 747 5.843 30.709 21.982 1.00 29.35 H new ATOM 0 HD13 ILE B 747 6.844 30.472 23.186 1.00 29.35 H new ATOM 1926 N LYS B 748 6.229 35.184 25.285 1.00 28.20 N ATOM 1927 CA LYS B 748 6.565 36.645 25.207 1.00 34.62 C ATOM 1928 C LYS B 748 8.027 36.895 25.659 1.00 33.11 C ATOM 1929 O LYS B 748 8.732 37.656 25.033 1.00 30.82 O ATOM 1930 CB LYS B 748 5.605 37.433 26.072 1.00 38.43 C ATOM 1931 CG LYS B 748 5.788 38.961 25.958 1.00 48.37 C ATOM 1932 CD LYS B 748 4.719 39.707 26.746 1.00 56.74 C ATOM 1933 CE LYS B 748 4.781 39.399 28.234 1.00 63.64 C ATOM 1934 NZ LYS B 748 3.945 40.348 29.036 1.00 78.61 N ATOM 0 H LYS B 748 5.591 34.988 25.828 1.00 28.20 H new ATOM 0 HA LYS B 748 6.480 36.938 24.286 1.00 34.62 H new ATOM 0 HB2 LYS B 748 4.695 37.204 25.825 1.00 38.43 H new ATOM 0 HB3 LYS B 748 5.723 37.168 26.998 1.00 38.43 H new ATOM 0 HG2 LYS B 748 6.667 39.209 26.286 1.00 48.37 H new ATOM 0 HG3 LYS B 748 5.748 39.225 25.025 1.00 48.37 H new ATOM 0 HD2 LYS B 748 4.827 40.661 26.610 1.00 56.74 H new ATOM 0 HD3 LYS B 748 3.843 39.469 26.404 1.00 56.74 H new ATOM 0 HE2 LYS B 748 4.477 38.491 28.389 1.00 63.64 H new ATOM 0 HE3 LYS B 748 5.702 39.446 28.535 1.00 63.64 H new ATOM 0 HZ1 LYS B 748 4.004 40.139 29.899 1.00 78.61 H new ATOM 0 HZ2 LYS B 748 4.237 41.179 28.911 1.00 78.61 H new ATOM 0 HZ3 LYS B 748 3.096 40.290 28.775 1.00 78.61 H new ATOM 1935 N THR B 749 8.464 36.246 26.733 1.00 30.92 N ATOM 1936 CA THR B 749 9.858 36.303 27.174 1.00 31.47 C ATOM 1937 C THR B 749 10.850 35.943 26.059 1.00 35.00 C ATOM 1938 O THR B 749 11.777 36.685 25.817 1.00 38.29 O ATOM 1939 CB THR B 749 10.080 35.471 28.452 1.00 34.67 C ATOM 1940 OG1 THR B 749 9.346 36.081 29.521 1.00 35.74 O ATOM 1941 CG2 THR B 749 11.515 35.489 28.876 1.00 36.55 C ATOM 0 H THR B 749 7.960 35.758 27.230 1.00 30.92 H new ATOM 0 HA THR B 749 10.043 37.228 27.400 1.00 31.47 H new ATOM 0 HB THR B 749 9.798 34.562 28.266 1.00 34.67 H new ATOM 0 HG1 THR B 749 8.531 35.891 29.446 1.00 35.74 H new ATOM 0 HG21 THR B 749 11.622 34.958 29.681 1.00 36.55 H new ATOM 0 HG22 THR B 749 12.066 35.118 28.169 1.00 36.55 H new ATOM 0 HG23 THR B 749 11.789 36.402 29.053 1.00 36.55 H new ATOM 1942 N ILE B 750 10.592 34.861 25.351 1.00 30.78 N ATOM 1943 CA ILE B 750 11.337 34.443 24.180 1.00 33.61 C ATOM 1944 C ILE B 750 11.286 35.453 23.046 1.00 34.95 C ATOM 1945 O ILE B 750 12.335 35.798 22.466 1.00 32.95 O ATOM 1946 CB ILE B 750 10.860 33.062 23.635 1.00 31.56 C ATOM 1947 CG1 ILE B 750 11.124 31.997 24.686 1.00 35.19 C ATOM 1948 CG2 ILE B 750 11.558 32.741 22.323 1.00 31.27 C ATOM 1949 CD1 ILE B 750 10.460 30.695 24.350 1.00 36.00 C ATOM 0 H ILE B 750 9.949 34.325 25.548 1.00 30.78 H new ATOM 0 HA ILE B 750 12.254 34.371 24.489 1.00 33.61 H new ATOM 0 HB ILE B 750 9.907 33.089 23.454 1.00 31.56 H new ATOM 0 HG12 ILE B 750 12.080 31.858 24.771 1.00 35.19 H new ATOM 0 HG13 ILE B 750 10.805 32.308 25.547 1.00 35.19 H new ATOM 0 HG21 ILE B 750 11.252 31.881 21.996 1.00 31.27 H new ATOM 0 HG22 ILE B 750 11.351 33.427 21.670 1.00 31.27 H new ATOM 0 HG23 ILE B 750 12.517 32.710 22.466 1.00 31.27 H new ATOM 0 HD11 ILE B 750 10.653 30.045 25.044 1.00 36.00 H new ATOM 0 HD12 ILE B 750 9.501 30.827 24.289 1.00 36.00 H new ATOM 0 HD13 ILE B 750 10.796 30.370 23.500 1.00 36.00 H new ATOM 1950 N GLN B 751 10.109 35.977 22.755 1.00 33.14 N ATOM 1951 CA GLN B 751 9.979 36.980 21.705 1.00 34.34 C ATOM 1952 C GLN B 751 10.764 38.257 21.979 1.00 33.49 C ATOM 1953 O GLN B 751 11.328 38.860 21.076 1.00 40.86 O ATOM 1954 CB GLN B 751 8.504 37.279 21.407 1.00 37.01 C ATOM 1955 CG GLN B 751 7.820 36.053 20.779 1.00 41.92 C ATOM 1956 CD GLN B 751 6.315 36.207 20.522 1.00 46.69 C ATOM 1957 OE1 GLN B 751 5.613 37.021 21.149 1.00 45.01 O ATOM 1958 NE2 GLN B 751 5.823 35.421 19.581 1.00 45.92 N ATOM 0 H GLN B 751 9.374 35.769 23.149 1.00 33.14 H new ATOM 0 HA GLN B 751 10.380 36.592 20.912 1.00 34.34 H new ATOM 0 HB2 GLN B 751 8.047 37.527 22.226 1.00 37.01 H new ATOM 0 HB3 GLN B 751 8.437 38.037 20.805 1.00 37.01 H new ATOM 0 HG2 GLN B 751 8.259 35.851 19.938 1.00 41.92 H new ATOM 0 HG3 GLN B 751 7.958 35.290 21.361 1.00 41.92 H new ATOM 0 HE21 GLN B 751 6.338 34.870 19.168 1.00 45.92 H new ATOM 0 HE22 GLN B 751 4.987 35.460 19.381 1.00 45.92 H new ATOM 1959 N GLU B 752 10.795 38.666 23.233 1.00 35.42 N ATOM 1960 CA GLU B 752 11.388 39.943 23.644 1.00 37.60 C ATOM 1961 C GLU B 752 12.906 39.874 23.874 1.00 47.34 C ATOM 1962 O GLU B 752 13.487 40.928 24.169 1.00 38.82 O ATOM 1963 CB GLU B 752 10.765 40.415 24.951 1.00 42.34 C ATOM 1964 CG GLU B 752 9.361 40.900 24.724 1.00 44.70 C ATOM 1965 CD GLU B 752 8.661 41.217 26.001 1.00 56.36 C ATOM 1966 OE1 GLU B 752 9.160 40.847 27.106 1.00 53.81 O ATOM 1967 OE2 GLU B 752 7.581 41.831 25.875 1.00 67.03 O ATOM 0 H GLU B 752 10.470 38.210 23.885 1.00 35.42 H new ATOM 0 HA GLU B 752 11.212 40.553 22.911 1.00 37.60 H new ATOM 0 HB2 GLU B 752 10.761 39.689 25.594 1.00 42.34 H new ATOM 0 HB3 GLU B 752 11.301 41.128 25.331 1.00 42.34 H new ATOM 0 HG2 GLU B 752 9.381 41.691 24.163 1.00 44.70 H new ATOM 0 HG3 GLU B 752 8.861 40.223 24.242 1.00 44.70 H new ATOM 1968 N ARG B 753 13.529 38.680 23.761 1.00 37.95 N ATOM 1969 CA ARG B 753 14.926 38.509 24.116 1.00 37.83 C ATOM 1970 C ARG B 753 15.824 39.380 23.223 1.00 43.24 C ATOM 1971 O ARG B 753 16.682 40.195 23.700 1.00 41.14 O ATOM 1972 CB ARG B 753 15.332 37.033 23.986 1.00 37.63 C ATOM 1973 CG ARG B 753 16.724 36.733 24.535 1.00 37.20 C ATOM 1974 CD ARG B 753 16.982 35.239 24.646 1.00 38.94 C ATOM 1975 NE ARG B 753 16.538 34.515 23.432 1.00 39.19 N ATOM 1976 CZ ARG B 753 15.744 33.431 23.408 1.00 41.74 C ATOM 1977 NH1 ARG B 753 15.275 32.838 24.540 1.00 36.43 N ATOM 1978 NH2 ARG B 753 15.448 32.906 22.229 1.00 38.40 N ATOM 0 H ARG B 753 13.145 37.964 23.478 1.00 37.95 H new ATOM 0 HA ARG B 753 15.041 38.789 25.038 1.00 37.83 H new ATOM 0 HB2 ARG B 753 14.683 36.484 24.453 1.00 37.63 H new ATOM 0 HB3 ARG B 753 15.299 36.777 23.051 1.00 37.63 H new ATOM 0 HG2 ARG B 753 17.392 37.134 23.957 1.00 37.20 H new ATOM 0 HG3 ARG B 753 16.822 37.143 25.409 1.00 37.20 H new ATOM 0 HD2 ARG B 753 17.929 35.083 24.788 1.00 38.94 H new ATOM 0 HD3 ARG B 753 16.517 34.887 25.421 1.00 38.94 H new ATOM 0 HE ARG B 753 16.813 34.815 22.675 1.00 39.19 H new ATOM 0 HH11 ARG B 753 15.485 33.156 25.311 1.00 36.43 H new ATOM 0 HH12 ARG B 753 14.769 32.145 24.484 1.00 36.43 H new ATOM 0 HH21 ARG B 753 15.762 33.259 21.510 1.00 38.40 H new ATOM 0 HH22 ARG B 753 14.942 32.212 22.182 1.00 38.40 H new ATOM 1979 N CYS B 754 15.633 39.193 21.923 1.00 43.70 N ATOM 1980 CA CYS B 754 16.396 39.936 20.904 1.00 45.81 C ATOM 1981 C CYS B 754 15.532 39.950 19.654 1.00 52.61 C ATOM 1982 O CYS B 754 15.705 39.082 18.782 1.00 48.03 O ATOM 1983 CB CYS B 754 17.794 39.340 20.597 1.00 42.12 C ATOM 1984 SG CYS B 754 18.838 40.589 19.708 1.00 45.77 S ATOM 0 H CYS B 754 15.062 38.637 21.600 1.00 43.70 H new ATOM 0 HA CYS B 754 16.583 40.827 21.238 1.00 45.81 H new ATOM 0 HB2 CYS B 754 18.228 39.074 21.422 1.00 42.12 H new ATOM 0 HB3 CYS B 754 17.701 38.541 20.055 1.00 42.12 H new ATOM 0 HG CYS B 754 19.917 40.118 19.478 1.00 45.77 H new ATOM 1985 N PRO B 755 14.595 40.924 19.576 1.00 59.41 N ATOM 1986 CA PRO B 755 13.748 40.948 18.399 1.00 68.09 C ATOM 1987 C PRO B 755 14.578 41.082 17.096 1.00 78.78 C ATOM 1988 O PRO B 755 15.174 42.116 16.854 1.00 66.36 O ATOM 1989 CB PRO B 755 12.808 42.152 18.661 1.00 70.69 C ATOM 1990 CG PRO B 755 12.808 42.328 20.152 1.00 70.00 C ATOM 1991 CD PRO B 755 14.193 41.941 20.578 1.00 65.45 C ATOM 0 HA PRO B 755 13.251 40.126 18.263 1.00 68.09 H new ATOM 0 HB2 PRO B 755 13.127 42.951 18.213 1.00 70.69 H new ATOM 0 HB3 PRO B 755 11.914 41.978 18.328 1.00 70.69 H new ATOM 0 HG2 PRO B 755 12.606 43.244 20.399 1.00 70.00 H new ATOM 0 HG3 PRO B 755 12.139 41.766 20.574 1.00 70.00 H new ATOM 0 HD2 PRO B 755 14.793 42.703 20.574 1.00 65.45 H new ATOM 0 HD3 PRO B 755 14.201 41.578 21.478 1.00 65.45 H new ATOM 1992 N GLU B 756 14.724 39.971 16.369 1.00 94.30 N ATOM 1993 CA GLU B 756 14.781 39.978 14.910 1.00102.71 C ATOM 1994 C GLU B 756 13.296 39.811 14.611 1.00122.53 C ATOM 1995 O GLU B 756 12.734 38.759 14.929 1.00132.55 O ATOM 1996 CB GLU B 756 15.582 38.793 14.361 1.00 91.44 C ATOM 0 H GLU B 756 14.793 39.187 16.715 1.00 94.30 H new ATOM 0 HA GLU B 756 15.211 40.756 14.521 1.00102.71 H new ATOM 1997 N SER B 757 12.667 40.856 14.051 1.00132.19 N ATOM 1998 CA SER B 757 11.186 41.038 14.028 1.00134.94 C ATOM 1999 C SER B 757 10.388 39.885 13.376 1.00136.34 C ATOM 2000 O SER B 757 10.948 38.815 13.134 1.00152.60 O ATOM 2001 CB SER B 757 10.853 42.367 13.326 1.00132.22 C ATOM 0 H SER B 757 13.091 41.496 13.664 1.00132.19 H new ATOM 0 HA SER B 757 10.906 41.043 14.957 1.00134.94 H new ATOM 2002 N GLN B 758 9.101 40.080 13.063 1.00129.58 N ATOM 2003 CA GLN B 758 8.382 39.124 12.187 1.00122.35 C ATOM 2004 C GLN B 758 8.950 39.174 10.742 1.00118.87 C ATOM 2005 O GLN B 758 8.220 38.910 9.777 1.00105.33 O ATOM 2006 CB GLN B 758 6.868 39.380 12.201 1.00113.11 C ATOM 0 H GLN B 758 8.629 40.744 13.338 1.00129.58 H new ATOM 0 HA GLN B 758 8.525 38.231 12.537 1.00122.35 H new ATOM 2007 N SER B 759 10.278 39.396 10.645 1.00115.60 N ATOM 2008 CA SER B 759 11.006 39.880 9.460 1.00108.86 C ATOM 2009 C SER B 759 10.964 38.876 8.308 1.00104.34 C ATOM 2010 O SER B 759 11.261 39.229 7.158 1.00114.92 O ATOM 2011 CB SER B 759 12.472 40.191 9.823 1.00 99.25 C ATOM 0 H SER B 759 10.804 39.258 11.311 1.00115.60 H new ATOM 0 HA SER B 759 10.563 40.690 9.164 1.00108.86 H new ATOM 2012 N GLY B 760 10.626 37.628 8.631 1.00 81.53 N ATOM 2013 CA GLY B 760 10.163 36.670 7.651 1.00 73.57 C ATOM 2014 C GLY B 760 11.042 35.448 7.708 1.00 68.94 C ATOM 2015 O GLY B 760 12.265 35.572 7.660 1.00 65.61 O ATOM 0 H GLY B 760 10.662 37.319 9.433 1.00 81.53 H new ATOM 0 HA2 GLY B 760 9.241 36.428 7.829 1.00 73.57 H new ATOM 0 HA3 GLY B 760 10.188 37.060 6.763 1.00 73.57 H new ATOM 2016 N HIS B 761 10.409 34.283 7.870 1.00 53.82 N ATOM 2017 CA HIS B 761 11.005 32.991 7.586 1.00 49.02 C ATOM 2018 C HIS B 761 10.115 32.305 6.578 1.00 45.02 C ATOM 2019 O HIS B 761 8.961 32.680 6.439 1.00 45.41 O ATOM 2020 CB HIS B 761 11.054 32.173 8.859 1.00 46.47 C ATOM 2021 CG HIS B 761 11.768 32.857 9.964 1.00 51.37 C ATOM 2022 ND1 HIS B 761 11.122 33.682 10.849 1.00 54.87 N ATOM 2023 CD2 HIS B 761 13.079 32.860 10.326 1.00 47.13 C ATOM 2024 CE1 HIS B 761 12.000 34.143 11.729 1.00 52.97 C ATOM 2025 NE2 HIS B 761 13.187 33.648 11.438 1.00 45.72 N ATOM 0 H HIS B 761 9.600 34.229 8.156 1.00 53.82 H new ATOM 0 HA HIS B 761 11.907 33.088 7.242 1.00 49.02 H new ATOM 0 HB2 HIS B 761 10.148 31.971 9.142 1.00 46.47 H new ATOM 0 HB3 HIS B 761 11.489 31.326 8.676 1.00 46.47 H new ATOM 0 HD1 HIS B 761 10.283 33.870 10.835 1.00 54.87 H new ATOM 0 HD2 HIS B 761 13.772 32.411 9.898 1.00 47.13 H new ATOM 0 HE1 HIS B 761 11.810 34.719 12.434 1.00 52.97 H new ATOM 2026 N GLN B 762 10.659 31.338 5.837 1.00 38.65 N ATOM 2027 CA GLN B 762 9.895 30.558 4.907 1.00 39.39 C ATOM 2028 C GLN B 762 9.341 29.358 5.643 1.00 40.76 C ATOM 2029 O GLN B 762 10.048 28.827 6.501 1.00 39.64 O ATOM 2030 CB GLN B 762 10.788 30.043 3.790 1.00 48.91 C ATOM 2031 CG GLN B 762 11.745 31.074 3.238 1.00 57.10 C ATOM 2032 CD GLN B 762 11.096 32.438 3.125 1.00 69.90 C ATOM 2033 OE1 GLN B 762 10.072 32.588 2.441 1.00 72.56 O ATOM 2034 NE2 GLN B 762 11.663 33.439 3.819 1.00 78.19 N ATOM 0 H GLN B 762 11.492 31.125 5.871 1.00 38.65 H new ATOM 0 HA GLN B 762 9.189 31.108 4.533 1.00 39.39 H new ATOM 0 HB2 GLN B 762 11.298 29.287 4.120 1.00 48.91 H new ATOM 0 HB3 GLN B 762 10.229 29.715 3.068 1.00 48.91 H new ATOM 0 HG2 GLN B 762 12.524 31.133 3.813 1.00 57.10 H new ATOM 0 HG3 GLN B 762 12.057 30.791 2.364 1.00 57.10 H new ATOM 0 HE21 GLN B 762 12.373 33.293 4.281 1.00 78.19 H new ATOM 0 HE22 GLN B 762 11.316 34.225 3.801 1.00 78.19 H new ATOM 2035 N GLU B 763 8.148 28.894 5.271 1.00 39.55 N ATOM 2036 CA GLU B 763 7.535 27.717 5.902 1.00 36.69 C ATOM 2037 C GLU B 763 8.423 26.479 5.779 1.00 39.21 C ATOM 2038 O GLU B 763 8.567 25.732 6.756 1.00 34.49 O ATOM 2039 CB GLU B 763 6.107 27.424 5.359 1.00 38.43 C ATOM 2040 CG GLU B 763 5.450 26.122 5.948 1.00 36.13 C ATOM 2041 CD GLU B 763 4.108 25.713 5.357 1.00 34.83 C ATOM 2042 OE1 GLU B 763 3.160 26.504 5.452 1.00 39.55 O ATOM 2043 OE2 GLU B 763 3.947 24.602 4.762 1.00 36.69 O ATOM 0 H GLU B 763 7.671 29.249 4.649 1.00 39.55 H new ATOM 0 HA GLU B 763 7.447 27.933 6.843 1.00 36.69 H new ATOM 0 HB2 GLU B 763 5.534 28.182 5.557 1.00 38.43 H new ATOM 0 HB3 GLU B 763 6.149 27.345 4.393 1.00 38.43 H new ATOM 0 HG2 GLU B 763 6.072 25.387 5.828 1.00 36.13 H new ATOM 0 HG3 GLU B 763 5.337 26.244 6.904 1.00 36.13 H new ATOM 2044 N SER B 764 9.069 26.281 4.621 1.00 34.42 N ATOM 2045 CA ASER B 764 9.904 25.081 4.389 0.71 33.97 C ATOM 2046 CA BSER B 764 9.905 25.084 4.395 0.29 32.17 C ATOM 2047 C SER B 764 11.019 24.984 5.408 1.00 32.64 C ATOM 2048 O SER B 764 11.323 23.896 5.883 1.00 35.93 O ATOM 2049 CB ASER B 764 10.520 25.121 2.961 0.71 37.71 C ATOM 2050 CB BSER B 764 10.488 25.029 2.960 0.29 31.83 C ATOM 2051 OG ASER B 764 11.269 26.313 2.848 0.71 40.96 O ATOM 2052 OG BSER B 764 9.786 24.076 2.209 0.29 28.54 O ATOM 0 H ASER B 764 9.039 26.826 3.956 0.71 34.42 H new ATOM 0 H BSER B 764 9.038 26.824 3.955 0.29 34.42 H new ATOM 0 HA ASER B 764 9.331 24.303 4.478 0.71 32.17 H new ATOM 0 HA BSER B 764 9.315 24.322 4.504 0.29 32.17 H new ATOM 0 HB2ASER B 764 11.087 24.348 2.813 0.71 31.83 H new ATOM 0 HB2BSER B 764 10.421 25.900 2.539 0.29 31.83 H new ATOM 0 HB3ASER B 764 9.822 25.093 2.288 0.71 31.83 H new ATOM 0 HB3BSER B 764 11.430 24.801 2.991 0.29 31.83 H new ATOM 0 HG ASER B 764 11.614 26.356 2.083 0.71 28.54 H new ATOM 0 HG BSER B 764 10.100 24.046 1.430 0.29 28.54 H new ATOM 2053 N GLU B 765 11.573 26.130 5.786 1.00 29.03 N ATOM 2054 CA GLU B 765 12.636 26.188 6.762 1.00 34.47 C ATOM 2055 C GLU B 765 12.110 25.883 8.161 1.00 33.10 C ATOM 2056 O GLU B 765 12.704 25.088 8.908 1.00 29.77 O ATOM 2057 CB GLU B 765 13.288 27.560 6.775 1.00 33.96 C ATOM 2058 CG GLU B 765 14.440 27.760 7.762 1.00 42.61 C ATOM 2059 CD GLU B 765 14.105 28.443 9.115 1.00 49.11 C ATOM 2060 OE1 GLU B 765 13.296 29.392 9.177 1.00 46.65 O ATOM 2061 OE2 GLU B 765 14.692 28.043 10.169 1.00 45.89 O ATOM 0 H GLU B 765 11.337 26.897 5.478 1.00 29.03 H new ATOM 0 HA GLU B 765 13.293 25.520 6.510 1.00 34.47 H new ATOM 0 HB2 GLU B 765 13.617 27.748 5.882 1.00 33.96 H new ATOM 0 HB3 GLU B 765 12.604 28.219 6.970 1.00 33.96 H new ATOM 0 HG2 GLU B 765 14.827 26.891 7.952 1.00 42.61 H new ATOM 0 HG3 GLU B 765 15.125 28.286 7.321 1.00 42.61 H new ATOM 2062 N VAL B 766 11.031 26.570 8.512 1.00 28.41 N ATOM 2063 CA VAL B 766 10.415 26.368 9.823 1.00 27.21 C ATOM 2064 C VAL B 766 10.085 24.918 10.059 1.00 24.24 C ATOM 2065 O VAL B 766 10.385 24.380 11.143 1.00 24.10 O ATOM 2066 CB VAL B 766 9.129 27.283 9.993 1.00 30.04 C ATOM 2067 CG1 VAL B 766 8.385 26.863 11.283 1.00 32.51 C ATOM 2068 CG2 VAL B 766 9.545 28.711 10.079 1.00 30.27 C ATOM 0 H VAL B 766 10.641 27.153 8.014 1.00 28.41 H new ATOM 0 HA VAL B 766 11.062 26.632 10.496 1.00 27.21 H new ATOM 0 HB VAL B 766 8.538 27.176 9.231 1.00 30.04 H new ATOM 0 HG11 VAL B 766 7.597 27.416 11.397 1.00 32.51 H new ATOM 0 HG12 VAL B 766 8.119 25.933 11.215 1.00 32.51 H new ATOM 0 HG13 VAL B 766 8.972 26.976 12.047 1.00 32.51 H new ATOM 0 HG21 VAL B 766 8.760 29.271 10.183 1.00 30.27 H new ATOM 0 HG22 VAL B 766 10.131 28.832 10.842 1.00 30.27 H new ATOM 0 HG23 VAL B 766 10.015 28.961 9.268 1.00 30.27 H new ATOM 2069 N LEU B 767 9.500 24.250 9.089 1.00 23.77 N ATOM 2070 CA LEU B 767 9.125 22.886 9.247 1.00 24.58 C ATOM 2071 C LEU B 767 10.291 21.953 9.520 1.00 28.25 C ATOM 2072 O LEU B 767 10.123 20.928 10.176 1.00 25.16 O ATOM 2073 CB LEU B 767 8.329 22.305 8.092 1.00 26.20 C ATOM 2074 CG LEU B 767 6.950 22.924 7.720 1.00 30.07 C ATOM 2075 CD1 LEU B 767 6.345 22.185 6.546 1.00 31.30 C ATOM 2076 CD2 LEU B 767 6.047 22.816 8.913 1.00 27.61 C ATOM 0 H LEU B 767 9.312 24.585 8.319 1.00 23.77 H new ATOM 0 HA LEU B 767 8.552 22.930 10.028 1.00 24.58 H new ATOM 0 HB2 LEU B 767 8.890 22.350 7.302 1.00 26.20 H new ATOM 0 HB3 LEU B 767 8.183 21.365 8.284 1.00 26.20 H new ATOM 0 HG LEU B 767 7.062 23.854 7.469 1.00 30.07 H new ATOM 0 HD11 LEU B 767 5.487 22.579 6.323 1.00 31.30 H new ATOM 0 HD12 LEU B 767 6.939 22.250 5.782 1.00 31.30 H new ATOM 0 HD13 LEU B 767 6.221 21.252 6.780 1.00 31.30 H new ATOM 0 HD21 LEU B 767 5.181 23.198 8.699 1.00 27.61 H new ATOM 0 HD22 LEU B 767 5.938 21.883 9.153 1.00 27.61 H new ATOM 0 HD23 LEU B 767 6.437 23.298 9.659 1.00 27.61 H new ATOM 2077 N MET B 768 11.456 22.325 9.010 1.00 28.85 N ATOM 2078 CA MET B 768 12.667 21.501 9.211 1.00 29.20 C ATOM 2079 C MET B 768 13.342 21.729 10.575 1.00 29.94 C ATOM 2080 O MET B 768 14.275 20.963 10.939 1.00 27.48 O ATOM 2081 CB MET B 768 13.645 21.758 8.015 1.00 31.74 C ATOM 2082 CG MET B 768 13.187 21.032 6.748 1.00 36.48 C ATOM 2083 SD MET B 768 12.853 19.244 6.953 1.00 55.70 S ATOM 2084 CE MET B 768 14.449 18.668 7.552 1.00 56.25 C ATOM 0 H MET B 768 11.578 23.040 8.548 1.00 28.85 H new ATOM 0 HA MET B 768 12.405 20.567 9.225 1.00 29.20 H new ATOM 0 HB2 MET B 768 13.701 22.711 7.841 1.00 31.74 H new ATOM 0 HB3 MET B 768 14.536 21.460 8.255 1.00 31.74 H new ATOM 0 HG2 MET B 768 12.382 21.461 6.420 1.00 36.48 H new ATOM 0 HG3 MET B 768 13.867 21.143 6.065 1.00 36.48 H new ATOM 0 HE1 MET B 768 14.421 17.706 7.676 1.00 56.25 H new ATOM 0 HE2 MET B 768 15.137 18.890 6.905 1.00 56.25 H new ATOM 0 HE3 MET B 768 14.651 19.096 8.398 1.00 56.25 H new ATOM 2085 N ARG B 769 12.868 22.697 11.380 1.00 24.14 N ATOM 2086 CA ARG B 769 13.475 22.907 12.662 1.00 26.48 C ATOM 2087 C ARG B 769 13.283 21.727 13.582 1.00 25.49 C ATOM 2088 O ARG B 769 12.165 21.158 13.658 1.00 23.65 O ATOM 2089 CB ARG B 769 12.927 24.124 13.362 1.00 27.69 C ATOM 2090 CG ARG B 769 13.286 25.410 12.635 1.00 33.50 C ATOM 2091 CD ARG B 769 12.795 26.607 13.382 1.00 32.58 C ATOM 2092 NE ARG B 769 12.906 27.787 12.526 1.00 38.85 N ATOM 2093 CZ ARG B 769 12.400 28.976 12.805 1.00 45.42 C ATOM 2094 NH1 ARG B 769 11.716 29.166 13.946 1.00 41.81 N ATOM 2095 NH2 ARG B 769 12.583 29.989 11.935 1.00 43.46 N ATOM 0 H ARG B 769 12.212 23.220 11.191 1.00 24.14 H new ATOM 0 HA ARG B 769 14.419 23.032 12.476 1.00 26.48 H new ATOM 0 HB2 ARG B 769 11.962 24.050 13.429 1.00 27.69 H new ATOM 0 HB3 ARG B 769 13.273 24.158 14.268 1.00 27.69 H new ATOM 0 HG2 ARG B 769 14.248 25.465 12.526 1.00 33.50 H new ATOM 0 HG3 ARG B 769 12.900 25.400 11.745 1.00 33.50 H new ATOM 0 HD2 ARG B 769 11.873 26.477 13.653 1.00 32.58 H new ATOM 0 HD3 ARG B 769 13.314 26.732 14.192 1.00 32.58 H new ATOM 0 HE ARG B 769 13.333 27.701 11.784 1.00 38.85 H new ATOM 0 HH11 ARG B 769 11.607 28.514 14.496 1.00 41.81 H new ATOM 0 HH12 ARG B 769 11.387 29.940 14.126 1.00 41.81 H new ATOM 0 HH21 ARG B 769 13.024 29.858 11.209 1.00 43.46 H new ATOM 0 HH22 ARG B 769 12.258 30.767 12.106 1.00 43.46 H new ATOM 2096 N GLN B 770 14.358 21.365 14.298 1.00 25.31 N ATOM 2097 CA GLN B 770 14.221 20.268 15.271 1.00 23.42 C ATOM 2098 C GLN B 770 13.483 20.744 16.506 1.00 23.40 C ATOM 2099 O GLN B 770 13.540 21.914 16.858 1.00 22.22 O ATOM 2100 CB GLN B 770 15.627 19.695 15.632 1.00 26.17 C ATOM 2101 CG GLN B 770 16.235 19.048 14.396 1.00 30.25 C ATOM 2102 CD GLN B 770 17.624 18.517 14.654 1.00 36.29 C ATOM 2103 OE1 GLN B 770 18.049 18.427 15.779 1.00 34.08 O ATOM 2104 NE2 GLN B 770 18.327 18.171 13.603 1.00 41.56 N ATOM 0 H GLN B 770 15.139 21.721 14.242 1.00 25.31 H new ATOM 0 HA GLN B 770 13.698 19.554 14.873 1.00 23.42 H new ATOM 0 HB2 GLN B 770 16.204 20.404 15.956 1.00 26.17 H new ATOM 0 HB3 GLN B 770 15.549 19.044 16.346 1.00 26.17 H new ATOM 0 HG2 GLN B 770 15.664 18.323 14.098 1.00 30.25 H new ATOM 0 HG3 GLN B 770 16.267 19.697 13.676 1.00 30.25 H new ATOM 0 HE21 GLN B 770 17.990 18.249 12.816 1.00 41.56 H new ATOM 0 HE22 GLN B 770 19.125 17.866 13.701 1.00 41.56 H new ATOM 2105 N MET B 771 12.806 19.794 17.163 1.00 22.29 N ATOM 2106 CA MET B 771 12.044 20.104 18.372 1.00 23.32 C ATOM 2107 C MET B 771 12.836 20.285 19.661 1.00 22.73 C ATOM 2108 O MET B 771 12.599 19.640 20.660 1.00 22.12 O ATOM 2109 CB MET B 771 10.893 19.122 18.498 1.00 23.03 C ATOM 2110 CG MET B 771 9.940 19.159 17.358 1.00 24.33 C ATOM 2111 SD MET B 771 8.719 20.578 17.602 1.00 24.51 S ATOM 2112 CE MET B 771 7.482 19.710 18.504 1.00 23.99 C ATOM 0 H MET B 771 12.777 18.968 16.924 1.00 22.29 H new ATOM 0 HA MET B 771 11.701 21.003 18.248 1.00 23.32 H new ATOM 0 HB2 MET B 771 11.253 18.225 18.578 1.00 23.03 H new ATOM 0 HB3 MET B 771 10.409 19.308 19.318 1.00 23.03 H new ATOM 0 HG2 MET B 771 10.422 19.275 16.524 1.00 24.33 H new ATOM 0 HG3 MET B 771 9.463 18.317 17.295 1.00 24.33 H new ATOM 0 HE1 MET B 771 6.817 20.337 18.827 1.00 23.99 H new ATOM 0 HE2 MET B 771 7.057 19.058 17.925 1.00 23.99 H new ATOM 0 HE3 MET B 771 7.890 19.256 19.258 1.00 23.99 H new ATOM 2113 N LEU B 772 13.752 21.260 19.622 1.00 22.28 N ATOM 2114 CA LEU B 772 14.437 21.789 20.749 1.00 20.95 C ATOM 2115 C LEU B 772 13.406 22.445 21.720 1.00 21.33 C ATOM 2116 O LEU B 772 12.238 22.699 21.312 1.00 20.58 O ATOM 2117 CB LEU B 772 15.466 22.830 20.295 1.00 24.75 C ATOM 2118 CG LEU B 772 16.624 22.259 19.446 1.00 31.64 C ATOM 2119 CD1 LEU B 772 17.541 23.368 18.966 1.00 30.38 C ATOM 2120 CD2 LEU B 772 17.366 21.183 20.221 1.00 30.51 C ATOM 0 H LEU B 772 13.987 21.636 18.885 1.00 22.28 H new ATOM 0 HA LEU B 772 14.901 21.072 21.209 1.00 20.95 H new ATOM 0 HB2 LEU B 772 15.011 23.515 19.781 1.00 24.75 H new ATOM 0 HB3 LEU B 772 15.838 23.264 21.079 1.00 24.75 H new ATOM 0 HG LEU B 772 16.257 21.840 18.652 1.00 31.64 H new ATOM 0 HD11 LEU B 772 18.259 22.988 18.436 1.00 30.38 H new ATOM 0 HD12 LEU B 772 17.036 23.994 18.424 1.00 30.38 H new ATOM 0 HD13 LEU B 772 17.915 23.833 19.731 1.00 30.38 H new ATOM 0 HD21 LEU B 772 18.089 20.833 19.678 1.00 30.51 H new ATOM 0 HD22 LEU B 772 17.729 21.563 21.036 1.00 30.51 H new ATOM 0 HD23 LEU B 772 16.754 20.465 20.445 1.00 30.51 H new ATOM 2121 N PRO B 773 13.815 22.681 22.973 1.00 21.70 N ATOM 2122 CA PRO B 773 12.851 23.170 23.976 1.00 23.49 C ATOM 2123 C PRO B 773 11.994 24.384 23.502 1.00 23.61 C ATOM 2124 O PRO B 773 10.776 24.359 23.735 1.00 21.62 O ATOM 2125 CB PRO B 773 13.742 23.536 25.169 1.00 22.21 C ATOM 2126 CG PRO B 773 14.799 22.463 25.065 1.00 24.14 C ATOM 2127 CD PRO B 773 15.087 22.282 23.643 1.00 22.03 C ATOM 0 HA PRO B 773 12.180 22.499 24.178 1.00 23.49 H new ATOM 0 HB2 PRO B 773 14.114 24.429 25.091 1.00 22.21 H new ATOM 0 HB3 PRO B 773 13.263 23.501 26.012 1.00 22.21 H new ATOM 0 HG2 PRO B 773 15.600 22.723 25.547 1.00 24.14 H new ATOM 0 HG3 PRO B 773 14.486 21.634 25.460 1.00 24.14 H new ATOM 0 HD2 PRO B 773 15.830 22.836 23.356 1.00 22.03 H new ATOM 0 HD3 PRO B 773 15.323 21.363 23.441 1.00 22.03 H new ATOM 2128 N GLU B 774 12.602 25.385 22.834 1.00 24.49 N ATOM 2129 CA GLU B 774 11.813 26.575 22.417 1.00 24.93 C ATOM 2130 C GLU B 774 10.849 26.231 21.314 1.00 25.58 C ATOM 2131 O GLU B 774 9.704 26.741 21.304 1.00 24.55 O ATOM 2132 CB GLU B 774 12.717 27.798 22.091 1.00 25.30 C ATOM 2133 CG GLU B 774 13.302 28.408 23.387 1.00 28.03 C ATOM 2134 CD GLU B 774 14.105 29.707 23.207 1.00 34.51 C ATOM 2135 OE1 GLU B 774 14.273 30.185 22.065 1.00 31.80 O ATOM 2136 OE2 GLU B 774 14.543 30.248 24.256 1.00 34.37 O ATOM 0 H GLU B 774 13.434 25.400 22.618 1.00 24.49 H new ATOM 0 HA GLU B 774 11.274 26.852 23.175 1.00 24.93 H new ATOM 0 HB2 GLU B 774 13.438 27.525 21.503 1.00 25.30 H new ATOM 0 HB3 GLU B 774 12.202 28.469 21.616 1.00 25.30 H new ATOM 0 HG2 GLU B 774 12.572 28.581 24.002 1.00 28.03 H new ATOM 0 HG3 GLU B 774 13.876 27.747 23.806 1.00 28.03 H new ATOM 2137 N GLU B 775 11.227 25.352 20.377 1.00 22.98 N ATOM 2138 CA GLU B 775 10.329 24.988 19.322 1.00 24.26 C ATOM 2139 C GLU B 775 9.182 24.098 19.885 1.00 22.30 C ATOM 2140 O GLU B 775 8.060 24.177 19.392 1.00 23.24 O ATOM 2141 CB GLU B 775 11.018 24.243 18.181 1.00 27.41 C ATOM 2142 CG GLU B 775 12.241 24.932 17.581 1.00 38.28 C ATOM 2143 CD GLU B 775 12.044 26.389 17.194 1.00 50.47 C ATOM 2144 OE1 GLU B 775 11.006 26.754 16.598 1.00 55.71 O ATOM 2145 OE2 GLU B 775 12.978 27.166 17.445 1.00 52.56 O ATOM 0 H GLU B 775 11.996 24.968 20.349 1.00 22.98 H new ATOM 0 HA GLU B 775 9.978 25.817 18.961 1.00 24.26 H new ATOM 0 HB2 GLU B 775 11.286 23.368 18.504 1.00 27.41 H new ATOM 0 HB3 GLU B 775 10.370 24.098 17.474 1.00 27.41 H new ATOM 0 HG2 GLU B 775 12.969 24.878 18.219 1.00 38.28 H new ATOM 0 HG3 GLU B 775 12.517 24.438 16.793 1.00 38.28 H new ATOM 2146 N GLN B 776 9.486 23.213 20.826 1.00 19.66 N ATOM 2147 CA GLN B 776 8.480 22.350 21.454 1.00 20.23 C ATOM 2148 C GLN B 776 7.454 23.292 22.163 1.00 20.27 C ATOM 2149 O GLN B 776 6.249 23.123 22.010 1.00 20.52 O ATOM 2150 CB GLN B 776 9.183 21.459 22.505 1.00 21.03 C ATOM 2151 CG GLN B 776 8.278 20.684 23.419 1.00 21.22 C ATOM 2152 CD GLN B 776 7.750 19.429 22.857 1.00 23.39 C ATOM 2153 OE1 GLN B 776 8.320 18.832 21.930 1.00 22.49 O ATOM 2154 NE2 GLN B 776 6.670 18.998 23.413 1.00 22.24 N ATOM 0 H GLN B 776 10.284 23.092 21.123 1.00 19.66 H new ATOM 0 HA GLN B 776 8.034 21.784 20.805 1.00 20.23 H new ATOM 0 HB2 GLN B 776 9.758 20.832 22.039 1.00 21.03 H new ATOM 0 HB3 GLN B 776 9.758 22.021 23.048 1.00 21.03 H new ATOM 0 HG2 GLN B 776 8.763 20.479 24.234 1.00 21.22 H new ATOM 0 HG3 GLN B 776 7.531 21.250 23.668 1.00 21.22 H new ATOM 0 HE21 GLN B 776 6.308 19.444 24.053 1.00 22.24 H new ATOM 0 HE22 GLN B 776 6.311 18.264 23.144 1.00 22.24 H new ATOM 2155 N LEU B 777 7.956 24.328 22.851 1.00 21.07 N ATOM 2156 CA LEU B 777 7.035 25.288 23.526 1.00 22.79 C ATOM 2157 C LEU B 777 6.153 26.013 22.458 1.00 23.92 C ATOM 2158 O LEU B 777 4.932 26.206 22.670 1.00 21.84 O ATOM 2159 CB LEU B 777 7.775 26.309 24.354 1.00 22.69 C ATOM 2160 CG LEU B 777 6.973 27.150 25.328 1.00 27.20 C ATOM 2161 CD1 LEU B 777 6.471 26.296 26.505 1.00 25.70 C ATOM 2162 CD2 LEU B 777 7.832 28.289 25.897 1.00 29.34 C ATOM 0 H LEU B 777 8.794 24.497 22.943 1.00 21.07 H new ATOM 0 HA LEU B 777 6.475 24.776 24.130 1.00 22.79 H new ATOM 0 HB2 LEU B 777 8.461 25.843 24.858 1.00 22.69 H new ATOM 0 HB3 LEU B 777 8.230 26.912 23.746 1.00 22.69 H new ATOM 0 HG LEU B 777 6.218 27.515 24.840 1.00 27.20 H new ATOM 0 HD11 LEU B 777 5.962 26.852 27.115 1.00 25.70 H new ATOM 0 HD12 LEU B 777 5.906 25.583 26.170 1.00 25.70 H new ATOM 0 HD13 LEU B 777 7.229 25.913 26.974 1.00 25.70 H new ATOM 0 HD21 LEU B 777 7.303 28.815 26.517 1.00 29.34 H new ATOM 0 HD22 LEU B 777 8.598 27.916 26.362 1.00 29.34 H new ATOM 0 HD23 LEU B 777 8.139 28.856 25.172 1.00 29.34 H new ATOM 2163 N LYS B 778 6.768 26.467 21.370 1.00 21.09 N ATOM 2164 CA LYS B 778 5.984 27.131 20.334 1.00 20.13 C ATOM 2165 C LYS B 778 4.912 26.289 19.755 1.00 19.14 C ATOM 2166 O LYS B 778 3.755 26.772 19.481 1.00 20.15 O ATOM 2167 CB LYS B 778 6.909 27.767 19.266 1.00 21.99 C ATOM 2168 CG LYS B 778 7.686 28.924 19.768 1.00 25.00 C ATOM 2169 CD LYS B 778 8.734 29.367 18.705 1.00 31.36 C ATOM 2170 CE LYS B 778 9.411 30.614 19.188 1.00 41.06 C ATOM 2171 NZ LYS B 778 10.557 30.994 18.280 1.00 49.29 N ATOM 0 H LYS B 778 7.611 26.404 21.214 1.00 21.09 H new ATOM 0 HA LYS B 778 5.502 27.851 20.769 1.00 20.13 H new ATOM 0 HB2 LYS B 778 7.524 27.092 18.938 1.00 21.99 H new ATOM 0 HB3 LYS B 778 6.371 28.052 18.511 1.00 21.99 H new ATOM 0 HG2 LYS B 778 7.088 29.661 19.970 1.00 25.00 H new ATOM 0 HG3 LYS B 778 8.134 28.687 20.595 1.00 25.00 H new ATOM 0 HD2 LYS B 778 9.387 28.664 18.563 1.00 31.36 H new ATOM 0 HD3 LYS B 778 8.301 29.528 17.852 1.00 31.36 H new ATOM 0 HE2 LYS B 778 8.769 31.340 19.226 1.00 41.06 H new ATOM 0 HE3 LYS B 778 9.740 30.479 20.090 1.00 41.06 H new ATOM 0 HZ1 LYS B 778 10.944 31.735 18.584 1.00 49.29 H new ATOM 0 HZ2 LYS B 778 11.154 30.334 18.263 1.00 49.29 H new ATOM 0 HZ3 LYS B 778 10.249 31.137 17.457 1.00 49.29 H new ATOM 2172 N CYS B 779 5.152 24.975 19.562 1.00 18.07 N ATOM 2173 CA CYS B 779 4.131 24.106 19.094 1.00 18.69 C ATOM 2174 C CYS B 779 3.038 23.854 20.149 1.00 17.69 C ATOM 2175 O CYS B 779 1.846 23.808 19.782 1.00 17.78 O ATOM 2176 CB CYS B 779 4.705 22.741 18.637 1.00 20.25 C ATOM 2177 SG CYS B 779 5.701 22.878 17.137 1.00 22.56 S ATOM 0 H CYS B 779 5.910 24.595 19.705 1.00 18.07 H new ATOM 0 HA CYS B 779 3.731 24.561 18.336 1.00 18.69 H new ATOM 0 HB2 CYS B 779 5.247 22.367 19.349 1.00 20.25 H new ATOM 0 HB3 CYS B 779 3.975 22.122 18.481 1.00 20.25 H new ATOM 0 HG CYS B 779 6.667 22.173 17.232 1.00 22.56 H new ATOM 2178 N GLU B 780 3.436 23.765 21.438 1.00 17.82 N ATOM 2179 CA GLU B 780 2.466 23.665 22.532 1.00 17.25 C ATOM 2180 C GLU B 780 1.492 24.918 22.518 1.00 17.41 C ATOM 2181 O GLU B 780 0.272 24.794 22.688 1.00 16.70 O ATOM 2182 CB GLU B 780 3.145 23.547 23.853 1.00 18.42 C ATOM 2183 CG GLU B 780 3.745 22.148 24.036 1.00 20.94 C ATOM 2184 CD GLU B 780 4.828 22.009 25.070 1.00 21.18 C ATOM 2185 OE1 GLU B 780 5.309 23.061 25.588 1.00 24.63 O ATOM 2186 OE2 GLU B 780 5.239 20.771 25.385 1.00 25.71 O ATOM 0 H GLU B 780 4.259 23.762 21.689 1.00 17.82 H new ATOM 0 HA GLU B 780 1.944 22.859 22.396 1.00 17.25 H new ATOM 0 HB2 GLU B 780 3.845 24.215 23.922 1.00 18.42 H new ATOM 0 HB3 GLU B 780 2.510 23.727 24.564 1.00 18.42 H new ATOM 0 HG2 GLU B 780 3.027 21.538 24.266 1.00 20.94 H new ATOM 0 HG3 GLU B 780 4.102 21.857 23.182 1.00 20.94 H new ATOM 2187 N PHE B 781 2.083 26.066 22.267 1.00 17.62 N ATOM 2188 CA PHE B 781 1.334 27.323 22.303 1.00 19.53 C ATOM 2189 C PHE B 781 0.400 27.343 21.128 1.00 17.86 C ATOM 2190 O PHE B 781 -0.805 27.707 21.239 1.00 17.71 O ATOM 2191 CB PHE B 781 2.274 28.465 22.303 1.00 21.28 C ATOM 2192 CG PHE B 781 1.621 29.800 22.422 1.00 19.95 C ATOM 2193 CD1 PHE B 781 0.725 30.052 23.469 1.00 22.29 C ATOM 2194 CD2 PHE B 781 1.926 30.842 21.498 1.00 22.12 C ATOM 2195 CE1 PHE B 781 0.110 31.358 23.635 1.00 25.22 C ATOM 2196 CE2 PHE B 781 1.340 32.097 21.677 1.00 26.50 C ATOM 2197 CZ PHE B 781 0.453 32.354 22.736 1.00 26.14 C ATOM 0 H PHE B 781 2.917 26.149 22.073 1.00 17.62 H new ATOM 0 HA PHE B 781 0.807 27.397 23.114 1.00 19.53 H new ATOM 0 HB2 PHE B 781 2.898 28.356 23.037 1.00 21.28 H new ATOM 0 HB3 PHE B 781 2.793 28.443 21.484 1.00 21.28 H new ATOM 0 HD1 PHE B 781 0.520 29.371 24.069 1.00 22.29 H new ATOM 0 HD2 PHE B 781 2.506 30.688 20.787 1.00 22.12 H new ATOM 0 HE1 PHE B 781 -0.495 31.520 24.323 1.00 25.22 H new ATOM 0 HE2 PHE B 781 1.542 32.781 21.080 1.00 26.50 H new ATOM 0 HZ PHE B 781 0.091 33.205 22.835 1.00 26.14 H new ATOM 2198 N LEU B 782 0.899 26.931 19.948 1.00 18.18 N ATOM 2199 CA LEU B 782 0.067 26.821 18.796 1.00 19.80 C ATOM 2200 C LEU B 782 -1.114 25.934 18.984 1.00 21.27 C ATOM 2201 O LEU B 782 -2.272 26.228 18.607 1.00 20.07 O ATOM 2202 CB LEU B 782 0.936 26.429 17.559 1.00 21.70 C ATOM 2203 CG LEU B 782 0.269 26.259 16.262 1.00 24.59 C ATOM 2204 CD1 LEU B 782 -0.690 27.411 15.857 1.00 28.33 C ATOM 2205 CD2 LEU B 782 1.381 26.123 15.222 1.00 26.07 C ATOM 0 H LEU B 782 1.722 26.716 19.819 1.00 18.18 H new ATOM 0 HA LEU B 782 -0.326 27.693 18.635 1.00 19.80 H new ATOM 0 HB2 LEU B 782 1.621 27.108 17.452 1.00 21.70 H new ATOM 0 HB3 LEU B 782 1.390 25.598 17.769 1.00 21.70 H new ATOM 0 HG LEU B 782 -0.304 25.478 16.321 1.00 24.59 H new ATOM 0 HD11 LEU B 782 -1.084 27.216 14.992 1.00 28.33 H new ATOM 0 HD12 LEU B 782 -1.393 27.495 16.520 1.00 28.33 H new ATOM 0 HD13 LEU B 782 -0.193 28.243 15.805 1.00 28.33 H new ATOM 0 HD21 LEU B 782 0.989 26.008 14.342 1.00 26.07 H new ATOM 0 HD22 LEU B 782 1.930 26.923 15.229 1.00 26.07 H new ATOM 0 HD23 LEU B 782 1.930 25.352 15.434 1.00 26.07 H new ATOM 2206 N LEU B 783 -0.867 24.752 19.535 1.00 18.89 N ATOM 2207 CA LEU B 783 -1.979 23.838 19.763 1.00 17.51 C ATOM 2208 C LEU B 783 -2.995 24.488 20.761 1.00 16.66 C ATOM 2209 O LEU B 783 -4.238 24.335 20.610 1.00 17.17 O ATOM 2210 CB LEU B 783 -1.426 22.499 20.378 1.00 17.38 C ATOM 2211 CG LEU B 783 -2.406 21.424 20.726 1.00 18.55 C ATOM 2212 CD1 LEU B 783 -3.234 21.044 19.529 1.00 19.22 C ATOM 2213 CD2 LEU B 783 -1.667 20.185 21.252 1.00 20.64 C ATOM 0 H LEU B 783 -0.093 24.467 19.777 1.00 18.89 H new ATOM 0 HA LEU B 783 -2.427 23.653 18.923 1.00 17.51 H new ATOM 0 HB2 LEU B 783 -0.787 22.126 19.750 1.00 17.38 H new ATOM 0 HB3 LEU B 783 -0.934 22.724 21.183 1.00 17.38 H new ATOM 0 HG LEU B 783 -2.995 21.767 21.416 1.00 18.55 H new ATOM 0 HD11 LEU B 783 -3.861 20.347 19.777 1.00 19.22 H new ATOM 0 HD12 LEU B 783 -3.722 21.820 19.213 1.00 19.22 H new ATOM 0 HD13 LEU B 783 -2.653 20.719 18.823 1.00 19.22 H new ATOM 0 HD21 LEU B 783 -2.311 19.494 21.475 1.00 20.64 H new ATOM 0 HD22 LEU B 783 -1.062 19.855 20.569 1.00 20.64 H new ATOM 0 HD23 LEU B 783 -1.161 20.422 22.045 1.00 20.64 H new ATOM 2214 N LEU B 784 -2.449 25.125 21.813 1.00 19.31 N ATOM 2215 CA LEU B 784 -3.342 25.797 22.823 1.00 19.53 C ATOM 2216 C LEU B 784 -4.216 26.880 22.151 1.00 17.37 C ATOM 2217 O LEU B 784 -5.409 26.991 22.423 1.00 18.27 O ATOM 2218 CB LEU B 784 -2.570 26.386 23.927 1.00 19.47 C ATOM 2219 CG LEU B 784 -3.414 27.132 24.979 1.00 20.75 C ATOM 2220 CD1 LEU B 784 -2.852 26.857 26.345 1.00 21.33 C ATOM 2221 CD2 LEU B 784 -3.436 28.630 24.731 1.00 21.97 C ATOM 0 H LEU B 784 -1.605 25.187 21.968 1.00 19.31 H new ATOM 0 HA LEU B 784 -3.920 25.112 23.194 1.00 19.53 H new ATOM 0 HB2 LEU B 784 -2.073 25.681 24.370 1.00 19.47 H new ATOM 0 HB3 LEU B 784 -1.919 27.002 23.557 1.00 19.47 H new ATOM 0 HG LEU B 784 -4.327 26.811 24.915 1.00 20.75 H new ATOM 0 HD11 LEU B 784 -3.379 27.324 27.012 1.00 21.33 H new ATOM 0 HD12 LEU B 784 -2.880 25.903 26.521 1.00 21.33 H new ATOM 0 HD13 LEU B 784 -1.933 27.166 26.385 1.00 21.33 H new ATOM 0 HD21 LEU B 784 -3.975 29.063 25.411 1.00 21.97 H new ATOM 0 HD22 LEU B 784 -2.531 28.977 24.767 1.00 21.97 H new ATOM 0 HD23 LEU B 784 -3.816 28.808 23.856 1.00 21.97 H new ATOM 2222 N LYS B 785 -3.678 27.592 21.176 1.00 19.71 N ATOM 2223 CA LYS B 785 -4.476 28.604 20.407 1.00 19.21 C ATOM 2224 C LYS B 785 -5.623 27.986 19.687 1.00 19.20 C ATOM 2225 O LYS B 785 -6.703 28.594 19.601 1.00 20.15 O ATOM 2226 CB LYS B 785 -3.620 29.476 19.495 1.00 20.81 C ATOM 2227 CG LYS B 785 -2.622 30.362 20.193 1.00 23.87 C ATOM 2228 CD LYS B 785 -3.117 31.387 21.200 1.00 29.61 C ATOM 2229 CE LYS B 785 -4.098 32.378 20.667 1.00 33.48 C ATOM 2230 NZ LYS B 785 -3.598 33.376 19.727 1.00 40.15 N ATOM 0 H LYS B 785 -2.858 27.522 20.927 1.00 19.71 H new ATOM 0 HA LYS B 785 -4.851 29.206 21.069 1.00 19.21 H new ATOM 0 HB2 LYS B 785 -3.142 28.900 18.879 1.00 20.81 H new ATOM 0 HB3 LYS B 785 -4.208 30.035 18.963 1.00 20.81 H new ATOM 0 HG2 LYS B 785 -1.989 29.786 20.650 1.00 23.87 H new ATOM 0 HG3 LYS B 785 -2.127 30.840 19.509 1.00 23.87 H new ATOM 0 HD2 LYS B 785 -3.525 30.917 21.944 1.00 29.61 H new ATOM 0 HD3 LYS B 785 -2.352 31.868 21.553 1.00 29.61 H new ATOM 0 HE2 LYS B 785 -4.813 31.888 20.232 1.00 33.48 H new ATOM 0 HE3 LYS B 785 -4.491 32.846 21.420 1.00 33.48 H new ATOM 0 HZ1 LYS B 785 -4.238 33.970 19.556 1.00 40.15 H new ATOM 0 HZ2 LYS B 785 -2.895 33.792 20.081 1.00 40.15 H new ATOM 0 HZ3 LYS B 785 -3.355 32.976 18.970 1.00 40.15 H new ATOM 2231 N VAL B 786 -5.448 26.793 19.109 1.00 19.80 N ATOM 2232 CA VAL B 786 -6.521 26.096 18.489 1.00 19.30 C ATOM 2233 C VAL B 786 -7.602 25.701 19.494 1.00 20.32 C ATOM 2234 O VAL B 786 -8.818 25.872 19.224 1.00 20.53 O ATOM 2235 CB VAL B 786 -6.050 24.896 17.644 1.00 21.09 C ATOM 2236 CG1 VAL B 786 -7.197 24.109 17.063 1.00 21.18 C ATOM 2237 CG2 VAL B 786 -5.080 25.368 16.544 1.00 23.40 C ATOM 0 H VAL B 786 -4.693 26.382 19.077 1.00 19.80 H new ATOM 0 HA VAL B 786 -6.924 26.721 17.866 1.00 19.30 H new ATOM 0 HB VAL B 786 -5.580 24.290 18.238 1.00 21.09 H new ATOM 0 HG11 VAL B 786 -6.850 23.368 16.542 1.00 21.18 H new ATOM 0 HG12 VAL B 786 -7.752 23.767 17.781 1.00 21.18 H new ATOM 0 HG13 VAL B 786 -7.728 24.685 16.491 1.00 21.18 H new ATOM 0 HG21 VAL B 786 -4.790 24.606 16.019 1.00 23.40 H new ATOM 0 HG22 VAL B 786 -5.530 26.005 15.967 1.00 23.40 H new ATOM 0 HG23 VAL B 786 -4.308 25.791 16.952 1.00 23.40 H new ATOM 2238 N TYR B 787 -7.182 25.136 20.633 1.00 18.63 N ATOM 2239 CA TYR B 787 -8.151 24.734 21.683 1.00 18.89 C ATOM 2240 C TYR B 787 -8.925 25.995 22.232 1.00 17.73 C ATOM 2241 O TYR B 787 -10.073 25.809 22.737 1.00 21.77 O ATOM 2242 CB TYR B 787 -7.439 24.014 22.837 1.00 18.75 C ATOM 2243 CG TYR B 787 -7.217 22.541 22.693 1.00 19.11 C ATOM 2244 CD1 TYR B 787 -8.177 21.630 22.981 1.00 20.99 C ATOM 2245 CD2 TYR B 787 -5.965 22.030 22.370 1.00 20.74 C ATOM 2246 CE1 TYR B 787 -7.971 20.245 22.889 1.00 20.66 C ATOM 2247 CE2 TYR B 787 -5.769 20.712 22.296 1.00 18.65 C ATOM 2248 CZ TYR B 787 -6.730 19.827 22.605 1.00 20.23 C ATOM 2249 OH TYR B 787 -6.424 18.488 22.579 1.00 19.69 O ATOM 0 H TYR B 787 -6.358 24.976 20.821 1.00 18.63 H new ATOM 0 HA TYR B 787 -8.789 24.122 21.284 1.00 18.89 H new ATOM 0 HB2 TYR B 787 -6.576 24.436 22.967 1.00 18.75 H new ATOM 0 HB3 TYR B 787 -7.953 24.163 23.646 1.00 18.75 H new ATOM 0 HD1 TYR B 787 -9.012 21.937 23.252 1.00 20.99 H new ATOM 0 HD2 TYR B 787 -5.258 22.611 22.204 1.00 20.74 H new ATOM 0 HE1 TYR B 787 -8.667 19.642 23.020 1.00 20.66 H new ATOM 0 HE2 TYR B 787 -4.939 20.396 22.021 1.00 18.65 H new ATOM 0 HH TYR B 787 -7.120 18.039 22.719 1.00 19.69 H new ATOM 2250 N CYS B 788 -8.325 27.162 22.152 1.00 17.78 N ATOM 2251 CA CYS B 788 -8.995 28.430 22.619 1.00 20.88 C ATOM 2252 C CYS B 788 -10.250 28.737 21.796 1.00 25.12 C ATOM 2253 O CYS B 788 -11.148 29.437 22.241 1.00 26.91 O ATOM 2254 CB CYS B 788 -8.075 29.621 22.582 1.00 21.56 C ATOM 2255 SG CYS B 788 -6.848 29.620 23.907 1.00 24.56 S ATOM 0 H CYS B 788 -7.533 27.274 21.837 1.00 17.78 H new ATOM 0 HA CYS B 788 -9.245 28.270 23.542 1.00 20.88 H new ATOM 0 HB2 CYS B 788 -7.618 29.642 21.727 1.00 21.56 H new ATOM 0 HB3 CYS B 788 -8.604 30.432 22.641 1.00 21.56 H new ATOM 0 HG CYS B 788 -6.076 28.717 23.738 1.00 24.56 H new ATOM 2256 N ASP B 789 -10.317 28.241 20.575 1.00 21.64 N ATOM 2257 CA ASP B 789 -11.537 28.387 19.776 1.00 22.21 C ATOM 2258 C ASP B 789 -12.625 27.488 20.163 1.00 22.18 C ATOM 2259 O ASP B 789 -12.388 26.331 20.305 1.00 23.20 O ATOM 2260 CB ASP B 789 -11.228 28.246 18.269 1.00 23.49 C ATOM 2261 CG ASP B 789 -12.364 28.903 17.416 1.00 29.34 C ATOM 2262 OD1 ASP B 789 -13.460 28.321 17.312 1.00 30.66 O ATOM 2263 OD2 ASP B 789 -12.164 30.095 17.048 1.00 32.75 O ATOM 0 H ASP B 789 -9.677 27.818 20.185 1.00 21.64 H new ATOM 0 HA ASP B 789 -11.859 29.283 19.961 1.00 22.21 H new ATOM 0 HB2 ASP B 789 -10.378 28.667 18.066 1.00 23.49 H new ATOM 0 HB3 ASP B 789 -11.142 27.308 18.037 1.00 23.49 H new ATOM 2264 N SER B 790 -13.896 27.952 20.347 1.00 23.83 N ATOM 2265 CA SER B 790 -14.885 27.029 20.859 1.00 27.02 C ATOM 2266 C SER B 790 -15.198 25.931 19.813 1.00 24.30 C ATOM 2267 O SER B 790 -15.615 24.844 20.190 1.00 26.64 O ATOM 2268 CB SER B 790 -16.166 27.761 21.258 1.00 32.69 C ATOM 2269 OG SER B 790 -16.603 28.362 20.039 1.00 36.12 O ATOM 0 H SER B 790 -14.170 28.751 20.186 1.00 23.83 H new ATOM 0 HA SER B 790 -14.517 26.608 21.652 1.00 27.02 H new ATOM 0 HB2 SER B 790 -16.830 27.150 21.613 1.00 32.69 H new ATOM 0 HB3 SER B 790 -15.998 28.426 21.944 1.00 32.69 H new ATOM 0 HG SER B 790 -16.623 29.197 20.129 1.00 36.12 H new ATOM 2270 N LYS B 791 -14.957 26.182 18.512 1.00 22.48 N ATOM 2271 CA LYS B 791 -15.216 25.158 17.496 1.00 23.07 C ATOM 2272 C LYS B 791 -14.210 23.997 17.524 1.00 24.12 C ATOM 2273 O LYS B 791 -14.419 22.970 16.899 1.00 23.00 O ATOM 2274 CB LYS B 791 -15.113 25.833 16.120 1.00 24.14 C ATOM 2275 CG LYS B 791 -16.277 26.806 15.775 1.00 27.50 C ATOM 2276 CD LYS B 791 -15.909 27.773 14.623 1.00 33.18 C ATOM 2277 CE LYS B 791 -17.078 28.711 14.352 1.00 37.69 C ATOM 2278 NZ LYS B 791 -18.266 28.065 13.728 1.00 38.39 N ATOM 0 H LYS B 791 -14.650 26.925 18.208 1.00 22.48 H new ATOM 0 HA LYS B 791 -16.093 24.785 17.676 1.00 23.07 H new ATOM 0 HB2 LYS B 791 -14.277 26.323 16.077 1.00 24.14 H new ATOM 0 HB3 LYS B 791 -15.073 25.144 15.439 1.00 24.14 H new ATOM 0 HG2 LYS B 791 -17.062 26.293 15.526 1.00 27.50 H new ATOM 0 HG3 LYS B 791 -16.512 27.320 16.564 1.00 27.50 H new ATOM 0 HD2 LYS B 791 -15.119 28.285 14.858 1.00 33.18 H new ATOM 0 HD3 LYS B 791 -15.693 27.270 13.822 1.00 33.18 H new ATOM 0 HE2 LYS B 791 -17.350 29.119 15.189 1.00 37.69 H new ATOM 0 HE3 LYS B 791 -16.774 29.427 13.773 1.00 37.69 H new ATOM 0 HZ1 LYS B 791 -18.947 28.639 13.721 1.00 38.39 H new ATOM 0 HZ2 LYS B 791 -18.070 27.827 12.893 1.00 38.39 H new ATOM 0 HZ3 LYS B 791 -18.492 27.343 14.197 1.00 38.39 H new ATOM 2279 N SER B 792 -13.133 24.162 18.270 1.00 22.50 N ATOM 2280 CA SER B 792 -12.185 23.036 18.539 1.00 21.74 C ATOM 2281 C SER B 792 -12.821 21.797 19.142 1.00 23.28 C ATOM 2282 O SER B 792 -12.262 20.675 18.993 1.00 22.00 O ATOM 2283 CB SER B 792 -11.006 23.512 19.394 1.00 21.55 C ATOM 2284 OG SER B 792 -11.402 23.768 20.731 1.00 21.14 O ATOM 0 H SER B 792 -12.914 24.907 18.639 1.00 22.50 H new ATOM 0 HA SER B 792 -11.866 22.758 17.666 1.00 21.74 H new ATOM 0 HB2 SER B 792 -10.307 22.840 19.386 1.00 21.55 H new ATOM 0 HB3 SER B 792 -10.629 24.318 19.007 1.00 21.55 H new ATOM 0 HG SER B 792 -11.748 24.532 20.780 1.00 21.14 H new ATOM 2285 N CYS B 793 -14.027 21.925 19.739 1.00 23.85 N ATOM 2286 CA CYS B 793 -14.683 20.791 20.344 1.00 25.81 C ATOM 2287 C CYS B 793 -14.935 19.680 19.346 1.00 24.83 C ATOM 2288 O CYS B 793 -14.843 18.501 19.725 1.00 24.39 O ATOM 2289 CB CYS B 793 -16.017 21.206 21.067 1.00 29.27 C ATOM 2290 SG CYS B 793 -17.334 21.805 19.989 1.00 31.95 S ATOM 0 H CYS B 793 -14.464 22.664 19.794 1.00 23.85 H new ATOM 0 HA CYS B 793 -14.074 20.447 21.017 1.00 25.81 H new ATOM 0 HB2 CYS B 793 -16.349 20.441 21.562 1.00 29.27 H new ATOM 0 HB3 CYS B 793 -15.813 21.897 21.716 1.00 29.27 H new ATOM 0 HG CYS B 793 -18.295 22.087 20.650 1.00 31.95 H new ATOM 2291 N PHE B 794 -15.226 20.041 18.064 1.00 20.63 N ATOM 2292 CA PHE B 794 -15.541 19.104 17.098 1.00 19.76 C ATOM 2293 C PHE B 794 -14.328 18.228 16.739 1.00 21.38 C ATOM 2294 O PHE B 794 -14.504 17.184 16.155 1.00 23.14 O ATOM 2295 CB PHE B 794 -16.040 19.781 15.824 1.00 23.50 C ATOM 2296 CG PHE B 794 -17.394 20.517 16.001 1.00 22.30 C ATOM 2297 CD1 PHE B 794 -18.516 19.797 16.293 1.00 23.29 C ATOM 2298 CD2 PHE B 794 -17.442 21.902 15.905 1.00 22.82 C ATOM 2299 CE1 PHE B 794 -19.765 20.444 16.437 1.00 24.92 C ATOM 2300 CE2 PHE B 794 -18.681 22.583 16.046 1.00 26.14 C ATOM 2301 CZ PHE B 794 -19.829 21.833 16.328 1.00 23.61 C ATOM 0 H PHE B 794 -15.231 20.854 17.784 1.00 20.63 H new ATOM 0 HA PHE B 794 -16.240 18.544 17.472 1.00 19.76 H new ATOM 0 HB2 PHE B 794 -15.372 20.416 15.522 1.00 23.50 H new ATOM 0 HB3 PHE B 794 -16.132 19.113 15.127 1.00 23.50 H new ATOM 0 HD1 PHE B 794 -18.459 18.875 16.398 1.00 23.29 H new ATOM 0 HD2 PHE B 794 -16.662 22.384 15.748 1.00 22.82 H new ATOM 0 HE1 PHE B 794 -20.535 19.949 16.602 1.00 24.92 H new ATOM 0 HE2 PHE B 794 -18.728 23.507 15.953 1.00 26.14 H new ATOM 0 HZ PHE B 794 -20.644 22.266 16.444 1.00 23.61 H new ATOM 2302 N PHE B 795 -13.147 18.749 17.009 1.00 21.01 N ATOM 2303 CA PHE B 795 -11.894 18.105 16.575 1.00 18.80 C ATOM 2304 C PHE B 795 -11.105 17.513 17.726 1.00 21.48 C ATOM 2305 O PHE B 795 -9.979 17.030 17.480 1.00 20.82 O ATOM 2306 CB PHE B 795 -11.072 19.154 15.879 1.00 21.40 C ATOM 2307 CG PHE B 795 -11.804 19.727 14.677 1.00 22.75 C ATOM 2308 CD1 PHE B 795 -11.932 18.953 13.530 1.00 21.90 C ATOM 2309 CD2 PHE B 795 -12.406 20.944 14.736 1.00 23.71 C ATOM 2310 CE1 PHE B 795 -12.649 19.427 12.433 1.00 23.83 C ATOM 2311 CE2 PHE B 795 -13.133 21.419 13.625 1.00 24.26 C ATOM 2312 CZ PHE B 795 -13.242 20.651 12.493 1.00 24.28 C ATOM 0 H PHE B 795 -13.035 19.481 17.446 1.00 21.01 H new ATOM 0 HA PHE B 795 -12.110 17.364 15.987 1.00 18.80 H new ATOM 0 HB2 PHE B 795 -10.861 19.867 16.501 1.00 21.40 H new ATOM 0 HB3 PHE B 795 -10.229 18.769 15.593 1.00 21.40 H new ATOM 0 HD1 PHE B 795 -11.536 18.112 13.494 1.00 21.90 H new ATOM 0 HD2 PHE B 795 -12.339 21.461 15.506 1.00 23.71 H new ATOM 0 HE1 PHE B 795 -12.722 18.910 11.664 1.00 23.83 H new ATOM 0 HE2 PHE B 795 -13.540 22.255 13.660 1.00 24.26 H new ATOM 0 HZ PHE B 795 -13.723 20.968 11.763 1.00 24.28 H new ATOM 2313 N ALA B 796 -11.581 17.639 18.959 1.00 22.54 N ATOM 2314 CA ALA B 796 -10.769 17.281 20.160 1.00 22.07 C ATOM 2315 C ALA B 796 -10.613 15.787 20.373 1.00 21.99 C ATOM 2316 O ALA B 796 -9.503 15.326 20.640 1.00 21.71 O ATOM 2317 CB ALA B 796 -11.346 17.930 21.430 1.00 22.68 C ATOM 0 H ALA B 796 -12.370 17.929 19.140 1.00 22.54 H new ATOM 0 HA ALA B 796 -9.882 17.632 19.984 1.00 22.07 H new ATOM 0 HB1 ALA B 796 -10.803 17.683 22.195 1.00 22.68 H new ATOM 0 HB2 ALA B 796 -11.344 18.895 21.330 1.00 22.68 H new ATOM 0 HB3 ALA B 796 -12.255 17.621 21.567 1.00 22.68 H new ATOM 2318 N SER B 797 -11.708 15.032 20.276 1.00 22.20 N ATOM 2319 CA SER B 797 -11.814 13.610 20.574 1.00 24.39 C ATOM 2320 C SER B 797 -11.773 12.753 19.322 1.00 26.18 C ATOM 2321 O SER B 797 -11.902 13.278 18.235 1.00 24.58 O ATOM 2322 CB SER B 797 -13.148 13.330 21.343 1.00 29.78 C ATOM 2323 OG SER B 797 -12.962 13.884 22.615 1.00 38.92 O ATOM 0 H SER B 797 -12.458 15.363 20.016 1.00 22.20 H new ATOM 0 HA SER B 797 -11.049 13.373 21.121 1.00 24.39 H new ATOM 0 HB2 SER B 797 -13.905 13.736 20.891 1.00 29.78 H new ATOM 0 HB3 SER B 797 -13.328 12.378 21.398 1.00 29.78 H new ATOM 0 HG SER B 797 -13.653 13.764 23.077 1.00 38.92 H new ATOM 2324 N GLU B 798 -11.621 11.444 19.510 1.00 27.34 N ATOM 2325 CA GLU B 798 -11.578 10.492 18.396 1.00 30.86 C ATOM 2326 C GLU B 798 -12.885 10.548 17.576 1.00 37.60 C ATOM 2327 O GLU B 798 -13.988 10.427 18.125 1.00 35.58 O ATOM 2328 CB GLU B 798 -11.405 9.091 18.895 1.00 34.85 C ATOM 2329 CG GLU B 798 -11.015 8.088 17.840 1.00 42.27 C ATOM 2330 CD GLU B 798 -10.658 6.731 18.441 1.00 47.22 C ATOM 2331 OE1 GLU B 798 -10.294 5.858 17.669 1.00 54.91 O ATOM 2332 OE2 GLU B 798 -10.754 6.521 19.675 1.00 50.19 O ATOM 0 H GLU B 798 -11.540 11.081 20.285 1.00 27.34 H new ATOM 0 HA GLU B 798 -10.824 10.740 17.839 1.00 30.86 H new ATOM 0 HB2 GLU B 798 -10.728 9.090 19.590 1.00 34.85 H new ATOM 0 HB3 GLU B 798 -12.235 8.803 19.306 1.00 34.85 H new ATOM 0 HG2 GLU B 798 -11.747 7.980 17.212 1.00 42.27 H new ATOM 0 HG3 GLU B 798 -10.258 8.427 17.337 1.00 42.27 H new ATOM 2333 N PRO B 799 -12.774 10.791 16.276 1.00 37.35 N ATOM 2334 CA PRO B 799 -14.031 10.942 15.573 1.00 45.46 C ATOM 2335 C PRO B 799 -14.654 9.589 15.356 1.00 43.90 C ATOM 2336 O PRO B 799 -13.938 8.566 15.256 1.00 38.43 O ATOM 2337 CB PRO B 799 -13.643 11.604 14.236 1.00 47.42 C ATOM 2338 CG PRO B 799 -12.201 11.469 14.120 1.00 44.52 C ATOM 2339 CD PRO B 799 -11.617 11.146 15.458 1.00 41.49 C ATOM 0 HA PRO B 799 -14.683 11.472 16.059 1.00 45.46 H new ATOM 0 HB2 PRO B 799 -14.092 11.172 13.493 1.00 47.42 H new ATOM 0 HB3 PRO B 799 -13.906 12.538 14.223 1.00 47.42 H new ATOM 0 HG2 PRO B 799 -11.983 10.769 13.484 1.00 44.52 H new ATOM 0 HG3 PRO B 799 -11.816 12.292 13.779 1.00 44.52 H new ATOM 0 HD2 PRO B 799 -10.984 10.413 15.401 1.00 41.49 H new ATOM 0 HD3 PRO B 799 -11.140 11.904 15.829 1.00 41.49 H new ATOM 2340 N TYR B 800 -15.980 9.610 15.324 1.00 52.98 N ATOM 2341 CA TYR B 800 -16.776 8.496 14.833 1.00 61.46 C ATOM 2342 C TYR B 800 -17.039 8.709 13.329 1.00 63.87 C ATOM 2343 O TYR B 800 -17.554 9.782 12.907 1.00 59.11 O ATOM 2344 CB TYR B 800 -18.105 8.475 15.549 1.00 64.24 C ATOM 2345 CG TYR B 800 -18.925 7.319 15.122 1.00 84.31 C ATOM 2346 CD1 TYR B 800 -18.544 6.028 15.470 1.00 91.19 C ATOM 2347 CD2 TYR B 800 -20.077 7.496 14.343 1.00 97.67 C ATOM 2348 CE1 TYR B 800 -19.291 4.941 15.078 1.00 99.58 C ATOM 2349 CE2 TYR B 800 -20.836 6.409 13.937 1.00103.36 C ATOM 2350 CZ TYR B 800 -20.435 5.132 14.309 1.00106.66 C ATOM 2351 OH TYR B 800 -21.173 4.045 13.926 1.00113.40 O ATOM 0 H TYR B 800 -16.448 10.280 15.590 1.00 52.98 H new ATOM 0 HA TYR B 800 -16.304 7.662 14.986 1.00 61.46 H new ATOM 0 HB2 TYR B 800 -17.958 8.435 16.507 1.00 64.24 H new ATOM 0 HB3 TYR B 800 -18.585 9.299 15.370 1.00 64.24 H new ATOM 0 HD1 TYR B 800 -17.774 5.897 15.975 1.00 91.19 H new ATOM 0 HD2 TYR B 800 -20.336 8.354 14.095 1.00 97.67 H new ATOM 0 HE1 TYR B 800 -19.033 4.083 15.326 1.00 99.58 H new ATOM 0 HE2 TYR B 800 -21.602 6.533 13.424 1.00103.36 H new ATOM 0 HH TYR B 800 -21.832 4.299 13.471 1.00113.40 H new ATOM 2352 N TYR B 801 -16.709 7.712 12.521 1.00 54.49 N ATOM 2353 CA TYR B 801 -16.980 7.812 11.097 1.00 57.92 C ATOM 2354 C TYR B 801 -18.050 6.783 10.639 1.00 63.49 C ATOM 2355 O TYR B 801 -19.259 7.057 10.779 1.00 58.08 O ATOM 2356 CB TYR B 801 -15.680 7.711 10.315 1.00 48.56 C ATOM 2357 CG TYR B 801 -14.769 8.881 10.441 1.00 40.03 C ATOM 2358 CD1 TYR B 801 -15.221 10.182 10.290 1.00 36.84 C ATOM 2359 CD2 TYR B 801 -13.434 8.682 10.681 1.00 47.75 C ATOM 2360 CE1 TYR B 801 -14.372 11.245 10.352 1.00 34.73 C ATOM 2361 CE2 TYR B 801 -12.564 9.761 10.781 1.00 43.96 C ATOM 2362 CZ TYR B 801 -13.058 11.027 10.588 1.00 35.20 C ATOM 2363 OH TYR B 801 -12.186 12.051 10.711 1.00 41.40 O ATOM 0 H TYR B 801 -16.333 6.980 12.772 1.00 54.49 H new ATOM 0 HA TYR B 801 -17.365 8.683 10.910 1.00 57.92 H new ATOM 0 HB2 TYR B 801 -15.205 6.917 10.607 1.00 48.56 H new ATOM 0 HB3 TYR B 801 -15.893 7.585 9.377 1.00 48.56 H new ATOM 0 HD1 TYR B 801 -16.127 10.333 10.143 1.00 36.84 H new ATOM 0 HD2 TYR B 801 -13.107 7.817 10.778 1.00 47.75 H new ATOM 0 HE1 TYR B 801 -14.692 12.110 10.234 1.00 34.73 H new ATOM 0 HE2 TYR B 801 -11.664 9.628 10.975 1.00 43.96 H new ATOM 0 HH TYR B 801 -12.468 12.713 10.278 1.00 41.40 H new ATOM 2364 N ASN B 802 -17.579 5.638 10.115 1.00 67.92 N ATOM 2365 CA ASN B 802 -18.367 4.525 9.583 1.00 70.49 C ATOM 2366 C ASN B 802 -18.029 3.311 10.476 1.00 81.68 C ATOM 2367 O ASN B 802 -17.151 2.524 10.106 1.00 97.65 O ATOM 2368 CB ASN B 802 -17.918 4.176 8.116 1.00 64.83 C ATOM 2369 CG ASN B 802 -17.931 5.379 7.133 1.00 48.74 C ATOM 2370 OD1 ASN B 802 -18.965 5.940 6.868 1.00 42.44 O ATOM 2371 ND2 ASN B 802 -16.774 5.723 6.556 1.00 43.61 N ATOM 0 H ASN B 802 -16.734 5.487 10.060 1.00 67.92 H new ATOM 0 HA ASN B 802 -19.311 4.749 9.575 1.00 70.49 H new ATOM 0 HB2 ASN B 802 -17.022 3.806 8.144 1.00 64.83 H new ATOM 0 HB3 ASN B 802 -18.501 3.483 7.768 1.00 64.83 H new ATOM 0 HD21 ASN B 802 -16.754 6.360 5.979 1.00 43.61 H new ATOM 0 HD22 ASN B 802 -16.050 5.307 6.762 1.00 43.61 H new ATOM 2372 N ARG B 803 -18.659 3.158 11.645 1.00 96.60 N ATOM 2373 CA ARG B 803 -18.271 2.058 12.566 1.00110.20 C ATOM 2374 C ARG B 803 -18.603 0.683 11.974 1.00109.64 C ATOM 2375 O ARG B 803 -19.763 0.434 11.679 1.00106.89 O ATOM 2376 CB ARG B 803 -18.953 2.153 13.925 1.00108.31 C ATOM 0 H ARG B 803 -19.298 3.661 11.926 1.00 96.60 H new ATOM 0 HA ARG B 803 -17.313 2.156 12.684 1.00110.20 H new ATOM 2377 N GLU B 804 -17.626 -0.212 11.787 1.00120.08 N ATOM 2378 CA GLU B 804 -16.184 0.038 11.979 1.00120.64 C ATOM 2379 C GLU B 804 -15.410 -0.653 10.846 1.00122.78 C ATOM 2380 O GLU B 804 -15.182 -0.026 9.803 1.00131.54 O ATOM 2381 CB GLU B 804 -15.716 -0.392 13.384 1.00108.88 C ATOM 0 H GLU B 804 -17.790 -1.017 11.534 1.00120.08 H new ATOM 0 HA GLU B 804 -16.004 0.990 11.933 1.00120.64 H new ATOM 2382 N GLY B 805 -15.045 -1.928 11.014 1.00120.36 N ATOM 2383 CA GLY B 805 -14.152 -2.605 10.070 1.00114.82 C ATOM 2384 C GLY B 805 -12.888 -1.783 9.825 1.00120.41 C ATOM 2385 O GLY B 805 -12.321 -1.210 10.766 1.00129.07 O ATOM 0 H GLY B 805 -15.305 -2.419 11.671 1.00120.36 H new ATOM 0 HA2 GLY B 805 -13.912 -3.478 10.417 1.00114.82 H new ATOM 0 HA3 GLY B 805 -14.615 -2.751 9.230 1.00114.82 H new ATOM 2386 N SER B 806 -12.465 -1.715 8.560 1.00119.30 N ATOM 2387 CA SER B 806 -11.382 -0.822 8.114 1.00108.08 C ATOM 2388 C SER B 806 -11.885 0.482 7.424 1.00104.54 C ATOM 2389 O SER B 806 -11.067 1.226 6.860 1.00104.21 O ATOM 2390 CB SER B 806 -10.424 -1.584 7.179 1.00101.98 C ATOM 0 H SER B 806 -12.801 -2.191 7.927 1.00119.30 H new ATOM 0 HA SER B 806 -10.914 -0.538 8.915 1.00108.08 H new ATOM 2391 N GLN B 807 -13.190 0.797 7.516 1.00 94.79 N ATOM 2392 CA GLN B 807 -13.789 1.942 6.768 1.00 85.95 C ATOM 2393 C GLN B 807 -13.465 3.357 7.348 1.00 66.13 C ATOM 2394 O GLN B 807 -14.095 4.359 6.972 1.00 54.47 O ATOM 2395 CB GLN B 807 -15.316 1.737 6.585 1.00 82.70 C ATOM 0 H GLN B 807 -13.751 0.365 8.004 1.00 94.79 H new ATOM 0 HA GLN B 807 -13.356 1.935 5.900 1.00 85.95 H new ATOM 2396 N GLY B 808 -12.513 3.435 8.283 1.00 57.67 N ATOM 2397 CA GLY B 808 -11.904 4.704 8.666 1.00 51.07 C ATOM 2398 C GLY B 808 -10.876 5.201 7.641 1.00 44.29 C ATOM 2399 O GLY B 808 -10.454 4.463 6.727 1.00 42.83 O ATOM 0 H GLY B 808 -12.206 2.754 8.709 1.00 57.67 H new ATOM 0 HA2 GLY B 808 -12.599 5.373 8.772 1.00 51.07 H new ATOM 0 HA3 GLY B 808 -11.472 4.604 9.529 1.00 51.07 H new ATOM 2400 N PRO B 809 -10.414 6.441 7.823 1.00 37.65 N ATOM 2401 CA PRO B 809 -9.449 7.039 6.907 1.00 37.69 C ATOM 2402 C PRO B 809 -8.077 6.383 7.097 1.00 41.51 C ATOM 2403 O PRO B 809 -7.852 5.635 8.109 1.00 38.80 O ATOM 2404 CB PRO B 809 -9.374 8.527 7.358 1.00 37.37 C ATOM 2405 CG PRO B 809 -9.653 8.457 8.836 1.00 39.42 C ATOM 2406 CD PRO B 809 -10.591 7.262 9.053 1.00 42.53 C ATOM 0 HA PRO B 809 -9.701 6.934 5.976 1.00 37.69 H new ATOM 0 HB2 PRO B 809 -8.503 8.912 7.176 1.00 37.37 H new ATOM 0 HB3 PRO B 809 -10.028 9.074 6.896 1.00 37.37 H new ATOM 0 HG2 PRO B 809 -8.830 8.344 9.337 1.00 39.42 H new ATOM 0 HG3 PRO B 809 -10.064 9.278 9.148 1.00 39.42 H new ATOM 0 HD2 PRO B 809 -10.353 6.764 9.851 1.00 42.53 H new ATOM 0 HD3 PRO B 809 -11.512 7.547 9.161 1.00 42.53 H new ATOM 2407 N GLN B 810 -7.174 6.737 6.180 1.00 41.57 N ATOM 2408 CA GLN B 810 -5.825 6.171 6.145 1.00 51.57 C ATOM 2409 C GLN B 810 -5.107 6.432 7.470 1.00 47.74 C ATOM 2410 O GLN B 810 -4.500 5.509 8.054 1.00 52.05 O ATOM 2411 CB GLN B 810 -5.028 6.744 4.967 1.00 59.16 C ATOM 2412 CG GLN B 810 -3.730 5.989 4.667 1.00 72.81 C ATOM 2413 CD GLN B 810 -2.673 6.888 4.028 1.00 83.35 C ATOM 2414 OE1 GLN B 810 -2.159 7.819 4.664 1.00 88.84 O ATOM 2415 NE2 GLN B 810 -2.349 6.622 2.768 1.00 87.59 N ATOM 0 H GLN B 810 -7.328 7.313 5.560 1.00 41.57 H new ATOM 0 HA GLN B 810 -5.894 5.212 6.019 1.00 51.57 H new ATOM 0 HB2 GLN B 810 -5.588 6.734 4.175 1.00 59.16 H new ATOM 0 HB3 GLN B 810 -4.816 7.672 5.153 1.00 59.16 H new ATOM 0 HG2 GLN B 810 -3.379 5.614 5.490 1.00 72.81 H new ATOM 0 HG3 GLN B 810 -3.920 5.245 4.075 1.00 72.81 H new ATOM 0 HE21 GLN B 810 -2.726 5.968 2.356 1.00 87.59 H new ATOM 0 HE22 GLN B 810 -1.763 7.104 2.364 1.00 87.59 H new ATOM 2416 N LYS B 811 -5.163 7.665 7.956 1.00 34.17 N ATOM 2417 CA LYS B 811 -4.679 7.943 9.310 1.00 33.45 C ATOM 2418 C LYS B 811 -5.645 8.887 10.104 1.00 28.25 C ATOM 2419 O LYS B 811 -5.690 10.062 9.810 1.00 26.47 O ATOM 2420 CB LYS B 811 -3.308 8.557 9.230 1.00 37.83 C ATOM 2421 CG LYS B 811 -2.667 8.793 10.586 1.00 38.42 C ATOM 2422 CD LYS B 811 -1.224 9.221 10.393 1.00 41.42 C ATOM 2423 CE LYS B 811 -0.686 9.701 11.704 1.00 41.90 C ATOM 2424 NZ LYS B 811 0.654 10.323 11.581 1.00 45.03 N ATOM 0 H LYS B 811 -5.471 8.346 7.531 1.00 34.17 H new ATOM 0 HA LYS B 811 -4.642 7.102 9.792 1.00 33.45 H new ATOM 0 HB2 LYS B 811 -2.733 7.978 8.705 1.00 37.83 H new ATOM 0 HB3 LYS B 811 -3.367 9.402 8.757 1.00 37.83 H new ATOM 0 HG2 LYS B 811 -3.155 9.476 11.071 1.00 38.42 H new ATOM 0 HG3 LYS B 811 -2.706 7.983 11.119 1.00 38.42 H new ATOM 0 HD2 LYS B 811 -0.694 8.478 10.064 1.00 41.42 H new ATOM 0 HD3 LYS B 811 -1.168 9.925 9.729 1.00 41.42 H new ATOM 0 HE2 LYS B 811 -1.303 10.345 12.086 1.00 41.90 H new ATOM 0 HE3 LYS B 811 -0.636 8.955 12.321 1.00 41.90 H new ATOM 0 HZ1 LYS B 811 1.218 9.927 12.144 1.00 45.03 H new ATOM 0 HZ2 LYS B 811 0.951 10.226 10.748 1.00 45.03 H new ATOM 0 HZ3 LYS B 811 0.598 11.189 11.777 1.00 45.03 H new ATOM 2425 N PRO B 812 -6.366 8.357 11.076 1.00 27.95 N ATOM 2426 CA PRO B 812 -7.252 9.197 11.868 1.00 29.15 C ATOM 2427 C PRO B 812 -6.410 10.096 12.809 1.00 31.69 C ATOM 2428 O PRO B 812 -5.271 9.737 13.160 1.00 27.94 O ATOM 2429 CB PRO B 812 -8.125 8.201 12.641 1.00 32.34 C ATOM 2430 CG PRO B 812 -7.559 6.897 12.418 1.00 33.80 C ATOM 2431 CD PRO B 812 -6.486 6.940 11.406 1.00 32.54 C ATOM 0 HA PRO B 812 -7.796 9.801 11.339 1.00 29.15 H new ATOM 0 HB2 PRO B 812 -8.136 8.415 13.587 1.00 32.34 H new ATOM 0 HB3 PRO B 812 -9.044 8.235 12.332 1.00 32.34 H new ATOM 0 HG2 PRO B 812 -7.205 6.549 13.252 1.00 33.80 H new ATOM 0 HG3 PRO B 812 -8.255 6.286 12.128 1.00 33.80 H new ATOM 0 HD2 PRO B 812 -5.654 6.585 11.756 1.00 32.54 H new ATOM 0 HD3 PRO B 812 -6.713 6.412 10.625 1.00 32.54 H new ATOM 2432 N MET B 813 -6.886 11.307 13.039 1.00 25.69 N ATOM 2433 CA MET B 813 -6.189 12.278 13.866 1.00 24.40 C ATOM 2434 C MET B 813 -7.203 13.176 14.596 1.00 24.49 C ATOM 2435 O MET B 813 -8.301 13.459 14.071 1.00 23.66 O ATOM 2436 CB MET B 813 -5.219 13.093 13.039 1.00 21.79 C ATOM 2437 CG MET B 813 -4.161 13.900 13.751 1.00 24.78 C ATOM 2438 SD MET B 813 -3.247 12.975 15.079 1.00 25.52 S ATOM 2439 CE MET B 813 -2.505 11.691 14.001 1.00 29.25 C ATOM 0 H MET B 813 -7.630 11.593 12.717 1.00 25.69 H new ATOM 0 HA MET B 813 -5.670 11.804 14.535 1.00 24.40 H new ATOM 0 HB2 MET B 813 -4.767 12.486 12.432 1.00 21.79 H new ATOM 0 HB3 MET B 813 -5.738 13.705 12.494 1.00 21.79 H new ATOM 0 HG2 MET B 813 -3.520 14.220 13.097 1.00 24.78 H new ATOM 0 HG3 MET B 813 -4.578 14.682 14.146 1.00 24.78 H new ATOM 0 HE1 MET B 813 -1.650 11.416 14.367 1.00 29.25 H new ATOM 0 HE2 MET B 813 -3.098 10.925 13.955 1.00 29.25 H new ATOM 0 HE3 MET B 813 -2.374 12.052 13.110 1.00 29.25 H new ATOM 2440 N TRP B 814 -6.843 13.584 15.801 1.00 20.82 N ATOM 2441 CA TRP B 814 -7.642 14.494 16.602 1.00 19.06 C ATOM 2442 C TRP B 814 -6.748 15.286 17.563 1.00 20.40 C ATOM 2443 O TRP B 814 -5.582 14.911 17.770 1.00 20.10 O ATOM 2444 CB TRP B 814 -8.794 13.751 17.286 1.00 21.60 C ATOM 2445 CG TRP B 814 -8.423 12.599 18.169 1.00 23.44 C ATOM 2446 CD1 TRP B 814 -8.231 12.662 19.488 1.00 26.05 C ATOM 2447 CD2 TRP B 814 -8.106 11.269 17.777 1.00 25.47 C ATOM 2448 NE1 TRP B 814 -7.882 11.438 20.000 1.00 24.99 N ATOM 2449 CE2 TRP B 814 -7.744 10.569 18.956 1.00 25.75 C ATOM 2450 CE3 TRP B 814 -8.051 10.606 16.557 1.00 26.53 C ATOM 2451 CZ2 TRP B 814 -7.380 9.215 18.954 1.00 28.16 C ATOM 2452 CZ3 TRP B 814 -7.696 9.223 16.544 1.00 28.93 C ATOM 2453 CH2 TRP B 814 -7.345 8.567 17.740 1.00 29.01 C ATOM 0 H TRP B 814 -6.114 13.336 16.184 1.00 20.82 H new ATOM 0 HA TRP B 814 -8.063 15.151 16.026 1.00 19.06 H new ATOM 0 HB2 TRP B 814 -9.294 14.391 17.817 1.00 21.60 H new ATOM 0 HB3 TRP B 814 -9.394 13.424 16.598 1.00 21.60 H new ATOM 0 HD1 TRP B 814 -8.322 13.436 19.995 1.00 26.05 H new ATOM 0 HE1 TRP B 814 -7.770 11.251 20.832 1.00 24.99 H new ATOM 0 HE3 TRP B 814 -8.242 11.054 15.765 1.00 26.53 H new ATOM 0 HZ2 TRP B 814 -7.170 8.771 19.744 1.00 28.16 H new ATOM 0 HZ3 TRP B 814 -7.697 8.753 15.742 1.00 28.93 H new ATOM 0 HH2 TRP B 814 -7.083 7.675 17.709 1.00 29.01 H new ATOM 2454 N LEU B 815 -7.262 16.390 18.124 1.00 17.55 N ATOM 2455 CA LEU B 815 -6.450 17.283 18.865 1.00 18.00 C ATOM 2456 C LEU B 815 -5.885 16.627 20.162 1.00 18.90 C ATOM 2457 O LEU B 815 -4.718 16.751 20.407 1.00 19.30 O ATOM 2458 CB LEU B 815 -7.168 18.567 19.226 1.00 18.78 C ATOM 2459 CG LEU B 815 -7.591 19.432 18.079 1.00 18.08 C ATOM 2460 CD1 LEU B 815 -8.540 20.531 18.579 1.00 21.87 C ATOM 2461 CD2 LEU B 815 -6.430 20.083 17.384 1.00 19.18 C ATOM 0 H LEU B 815 -8.089 16.618 18.071 1.00 17.55 H new ATOM 0 HA LEU B 815 -5.712 17.502 18.276 1.00 18.00 H new ATOM 0 HB2 LEU B 815 -7.956 18.340 19.744 1.00 18.78 H new ATOM 0 HB3 LEU B 815 -6.589 19.088 19.804 1.00 18.78 H new ATOM 0 HG LEU B 815 -8.035 18.852 17.441 1.00 18.08 H new ATOM 0 HD11 LEU B 815 -8.811 21.089 17.833 1.00 21.87 H new ATOM 0 HD12 LEU B 815 -9.324 20.124 18.980 1.00 21.87 H new ATOM 0 HD13 LEU B 815 -8.085 21.075 19.240 1.00 21.87 H new ATOM 0 HD21 LEU B 815 -6.756 20.630 16.652 1.00 19.18 H new ATOM 0 HD22 LEU B 815 -5.947 20.641 18.014 1.00 19.18 H new ATOM 0 HD23 LEU B 815 -5.836 19.399 17.037 1.00 19.18 H new ATOM 2462 N ASN B 816 -6.660 15.792 20.817 1.00 17.10 N ATOM 2463 CA ASN B 816 -6.168 15.195 22.022 1.00 18.87 C ATOM 2464 C ASN B 816 -5.003 14.198 21.698 1.00 18.70 C ATOM 2465 O ASN B 816 -4.126 14.063 22.554 1.00 20.78 O ATOM 2466 CB ASN B 816 -7.274 14.495 22.767 1.00 20.51 C ATOM 2467 CG ASN B 816 -8.282 15.471 23.402 1.00 22.70 C ATOM 2468 OD1 ASN B 816 -8.066 16.694 23.508 1.00 22.59 O ATOM 2469 ND2 ASN B 816 -9.389 14.890 23.883 1.00 21.92 N ATOM 0 H ASN B 816 -7.456 15.564 20.585 1.00 17.10 H new ATOM 0 HA ASN B 816 -5.823 15.900 22.592 1.00 18.87 H new ATOM 0 HB2 ASN B 816 -7.743 13.903 22.158 1.00 20.51 H new ATOM 0 HB3 ASN B 816 -6.888 13.939 23.462 1.00 20.51 H new ATOM 0 HD21 ASN B 816 -9.984 15.364 24.283 1.00 21.92 H new ATOM 0 HD22 ASN B 816 -9.504 14.043 23.791 1.00 21.92 H new ATOM 2470 N LYS B 817 -5.014 13.568 20.507 1.00 20.02 N ATOM 2471 CA LYS B 817 -3.952 12.703 20.119 1.00 21.70 C ATOM 2472 C LYS B 817 -2.692 13.509 19.823 1.00 22.88 C ATOM 2473 O LYS B 817 -1.566 13.134 20.191 1.00 21.11 O ATOM 2474 CB LYS B 817 -4.367 11.871 18.949 1.00 23.24 C ATOM 2475 CG LYS B 817 -3.311 10.908 18.505 1.00 26.56 C ATOM 2476 CD LYS B 817 -3.835 10.102 17.340 1.00 31.39 C ATOM 2477 CE LYS B 817 -2.757 9.044 17.037 1.00 46.17 C ATOM 2478 NZ LYS B 817 -2.764 8.625 15.606 1.00 60.06 N ATOM 0 H LYS B 817 -5.643 13.646 19.925 1.00 20.02 H new ATOM 0 HA LYS B 817 -3.747 12.101 20.851 1.00 21.70 H new ATOM 0 HB2 LYS B 817 -5.170 11.378 19.179 1.00 23.24 H new ATOM 0 HB3 LYS B 817 -4.595 12.455 18.209 1.00 23.24 H new ATOM 0 HG2 LYS B 817 -2.508 11.387 18.246 1.00 26.56 H new ATOM 0 HG3 LYS B 817 -3.066 10.319 19.236 1.00 26.56 H new ATOM 0 HD2 LYS B 817 -4.681 9.682 17.561 1.00 31.39 H new ATOM 0 HD3 LYS B 817 -3.992 10.669 16.568 1.00 31.39 H new ATOM 0 HE2 LYS B 817 -1.884 9.401 17.263 1.00 46.17 H new ATOM 0 HE3 LYS B 817 -2.901 8.268 17.600 1.00 46.17 H new ATOM 0 HZ1 LYS B 817 -2.434 7.801 15.536 1.00 60.06 H new ATOM 0 HZ2 LYS B 817 -3.599 8.637 15.297 1.00 60.06 H new ATOM 0 HZ3 LYS B 817 -2.264 9.186 15.130 1.00 60.06 H new ATOM 2479 N VAL B 818 -2.822 14.658 19.182 1.00 19.27 N ATOM 2480 CA VAL B 818 -1.671 15.532 19.011 1.00 19.78 C ATOM 2481 C VAL B 818 -1.132 16.014 20.349 1.00 19.15 C ATOM 2482 O VAL B 818 0.094 16.093 20.585 1.00 18.49 O ATOM 2483 CB VAL B 818 -1.999 16.758 18.119 1.00 19.02 C ATOM 2484 CG1 VAL B 818 -0.828 17.668 17.965 1.00 20.11 C ATOM 2485 CG2 VAL B 818 -2.391 16.261 16.736 1.00 20.33 C ATOM 0 H VAL B 818 -3.556 14.949 18.842 1.00 19.27 H new ATOM 0 HA VAL B 818 -0.991 15.000 18.568 1.00 19.78 H new ATOM 0 HB VAL B 818 -2.718 17.251 18.545 1.00 19.02 H new ATOM 0 HG11 VAL B 818 -1.073 18.419 17.402 1.00 20.11 H new ATOM 0 HG12 VAL B 818 -0.554 17.993 18.837 1.00 20.11 H new ATOM 0 HG13 VAL B 818 -0.094 17.184 17.555 1.00 20.11 H new ATOM 0 HG21 VAL B 818 -2.599 17.018 16.167 1.00 20.33 H new ATOM 0 HG22 VAL B 818 -1.655 15.760 16.351 1.00 20.33 H new ATOM 0 HG23 VAL B 818 -3.170 15.687 16.807 1.00 20.33 H new ATOM 2486 N LYS B 819 -2.027 16.381 21.262 1.00 17.42 N ATOM 2487 CA LYS B 819 -1.584 16.801 22.591 1.00 18.50 C ATOM 2488 C LYS B 819 -0.722 15.684 23.297 1.00 16.44 C ATOM 2489 O LYS B 819 0.378 15.937 23.832 1.00 18.58 O ATOM 2490 CB LYS B 819 -2.791 17.141 23.464 1.00 19.47 C ATOM 2491 CG LYS B 819 -2.433 17.644 24.840 1.00 22.74 C ATOM 2492 CD LYS B 819 -3.667 17.932 25.703 1.00 24.35 C ATOM 2493 CE LYS B 819 -4.108 19.297 25.531 1.00 27.96 C ATOM 2494 NZ LYS B 819 -5.038 19.716 26.670 1.00 32.81 N ATOM 0 H LYS B 819 -2.878 16.395 21.138 1.00 17.42 H new ATOM 0 HA LYS B 819 -1.028 17.588 22.479 1.00 18.50 H new ATOM 0 HB2 LYS B 819 -3.325 17.814 23.013 1.00 19.47 H new ATOM 0 HB3 LYS B 819 -3.346 16.351 23.553 1.00 19.47 H new ATOM 0 HG2 LYS B 819 -1.877 16.986 25.286 1.00 22.74 H new ATOM 0 HG3 LYS B 819 -1.905 18.453 24.757 1.00 22.74 H new ATOM 0 HD2 LYS B 819 -4.384 17.324 25.463 1.00 24.35 H new ATOM 0 HD3 LYS B 819 -3.459 17.770 26.636 1.00 24.35 H new ATOM 0 HE2 LYS B 819 -3.339 19.888 25.502 1.00 27.96 H new ATOM 0 HE3 LYS B 819 -4.568 19.388 24.682 1.00 27.96 H new ATOM 0 HZ1 LYS B 819 -5.434 20.485 26.462 1.00 32.81 H new ATOM 0 HZ2 LYS B 819 -5.657 19.088 26.795 1.00 32.81 H new ATOM 0 HZ3 LYS B 819 -4.565 19.818 27.417 1.00 32.81 H new ATOM 2495 N THR B 820 -1.221 14.460 23.253 1.00 16.48 N ATOM 2496 CA THR B 820 -0.483 13.315 23.813 1.00 20.09 C ATOM 2497 C THR B 820 0.844 13.122 23.110 1.00 19.36 C ATOM 2498 O THR B 820 1.869 12.886 23.803 1.00 22.50 O ATOM 2499 CB THR B 820 -1.348 12.043 23.674 1.00 21.97 C ATOM 2500 OG1 THR B 820 -2.455 12.239 24.548 1.00 26.05 O ATOM 2501 CG2 THR B 820 -0.555 10.787 24.107 1.00 31.21 C ATOM 0 H THR B 820 -1.982 14.261 22.906 1.00 16.48 H new ATOM 0 HA THR B 820 -0.298 13.489 24.749 1.00 20.09 H new ATOM 0 HB THR B 820 -1.624 11.903 22.755 1.00 21.97 H new ATOM 0 HG1 THR B 820 -3.108 11.782 24.281 1.00 26.05 H new ATOM 0 HG21 THR B 820 -1.116 10.001 24.012 1.00 31.21 H new ATOM 0 HG22 THR B 820 0.232 10.692 23.547 1.00 31.21 H new ATOM 0 HG23 THR B 820 -0.283 10.879 25.033 1.00 31.21 H new ATOM 2502 N SER B 821 0.867 13.249 21.800 1.00 19.09 N ATOM 2503 CA SER B 821 2.097 13.057 20.998 1.00 19.55 C ATOM 2504 C SER B 821 3.147 14.100 21.339 1.00 23.43 C ATOM 2505 O SER B 821 4.334 13.776 21.520 1.00 20.53 O ATOM 2506 CB SER B 821 1.840 13.052 19.505 1.00 20.32 C ATOM 2507 OG SER B 821 0.978 11.997 19.179 1.00 21.45 O ATOM 0 H SER B 821 0.174 13.450 21.332 1.00 19.09 H new ATOM 0 HA SER B 821 2.431 12.178 21.235 1.00 19.55 H new ATOM 0 HB2 SER B 821 1.449 13.897 19.232 1.00 20.32 H new ATOM 0 HB3 SER B 821 2.677 12.958 19.024 1.00 20.32 H new ATOM 0 HG SER B 821 0.194 12.195 19.406 1.00 21.45 H new ATOM 2508 N LEU B 822 2.730 15.345 21.532 1.00 20.08 N ATOM 2509 CA LEU B 822 3.652 16.376 22.004 1.00 20.33 C ATOM 2510 C LEU B 822 4.151 16.134 23.383 1.00 21.48 C ATOM 2511 O LEU B 822 5.327 16.320 23.671 1.00 25.11 O ATOM 2512 CB LEU B 822 2.971 17.766 22.021 1.00 24.18 C ATOM 2513 CG LEU B 822 2.929 18.656 20.893 1.00 25.01 C ATOM 2514 CD1 LEU B 822 2.141 19.980 21.195 1.00 23.19 C ATOM 2515 CD2 LEU B 822 4.372 19.035 20.457 1.00 23.08 C ATOM 0 H LEU B 822 1.924 15.614 21.398 1.00 20.08 H new ATOM 0 HA LEU B 822 4.395 16.346 21.381 1.00 20.33 H new ATOM 0 HB2 LEU B 822 2.049 17.612 22.279 1.00 24.18 H new ATOM 0 HB3 LEU B 822 3.388 18.263 22.742 1.00 24.18 H new ATOM 0 HG LEU B 822 2.466 18.181 20.185 1.00 25.01 H new ATOM 0 HD11 LEU B 822 2.141 20.544 20.406 1.00 23.19 H new ATOM 0 HD12 LEU B 822 1.227 19.765 21.437 1.00 23.19 H new ATOM 0 HD13 LEU B 822 2.567 20.450 21.929 1.00 23.19 H new ATOM 0 HD21 LEU B 822 4.333 19.635 19.696 1.00 23.08 H new ATOM 0 HD22 LEU B 822 4.827 19.475 21.192 1.00 23.08 H new ATOM 0 HD23 LEU B 822 4.857 18.232 20.211 1.00 23.08 H new ATOM 2516 N ASN B 823 3.297 15.694 24.278 1.00 23.73 N ATOM 2517 CA ASN B 823 3.667 15.438 25.706 1.00 24.51 C ATOM 2518 C ASN B 823 4.701 14.287 25.739 1.00 25.24 C ATOM 2519 O ASN B 823 5.629 14.295 26.509 1.00 27.81 O ATOM 2520 CB ASN B 823 2.427 15.095 26.519 1.00 26.17 C ATOM 2521 CG ASN B 823 2.720 14.677 27.982 1.00 28.40 C ATOM 2522 OD1 ASN B 823 2.317 13.591 28.449 1.00 39.08 O ATOM 2523 ND2 ASN B 823 3.360 15.502 28.667 1.00 29.53 N ATOM 0 H ASN B 823 2.473 15.526 24.099 1.00 23.73 H new ATOM 0 HA ASN B 823 4.059 16.232 26.102 1.00 24.51 H new ATOM 0 HB2 ASN B 823 1.835 15.863 26.526 1.00 26.17 H new ATOM 0 HB3 ASN B 823 1.952 14.374 26.077 1.00 26.17 H new ATOM 0 HD21 ASN B 823 3.538 15.331 29.491 1.00 29.53 H new ATOM 0 HD22 ASN B 823 3.623 16.241 28.315 1.00 29.53 H new ATOM 2524 N GLU B 824 4.561 13.367 24.838 1.00 22.60 N ATOM 2525 CA GLU B 824 5.375 12.167 24.790 1.00 25.98 C ATOM 2526 C GLU B 824 6.604 12.364 23.936 1.00 24.29 C ATOM 2527 O GLU B 824 7.340 11.388 23.718 1.00 24.43 O ATOM 2528 CB GLU B 824 4.537 10.972 24.335 1.00 25.22 C ATOM 2529 CG GLU B 824 3.559 10.634 25.460 1.00 34.27 C ATOM 2530 CD GLU B 824 2.617 9.478 25.170 1.00 42.32 C ATOM 2531 OE1 GLU B 824 2.807 8.790 24.189 1.00 51.79 O ATOM 2532 OE2 GLU B 824 1.669 9.252 25.970 1.00 54.42 O ATOM 0 H GLU B 824 3.975 13.411 24.210 1.00 22.60 H new ATOM 0 HA GLU B 824 5.693 11.977 25.686 1.00 25.98 H new ATOM 0 HB2 GLU B 824 4.057 11.184 23.519 1.00 25.22 H new ATOM 0 HB3 GLU B 824 5.107 10.212 24.140 1.00 25.22 H new ATOM 0 HG2 GLU B 824 4.067 10.426 26.260 1.00 34.27 H new ATOM 0 HG3 GLU B 824 3.030 11.423 25.657 1.00 34.27 H new ATOM 2533 N GLN B 825 6.788 13.583 23.410 1.00 24.36 N ATOM 2534 CA GLN B 825 7.907 13.939 22.583 1.00 25.87 C ATOM 2535 C GLN B 825 8.041 13.088 21.354 1.00 27.08 C ATOM 2536 O GLN B 825 9.130 12.673 20.976 1.00 25.96 O ATOM 2537 CB GLN B 825 9.236 13.932 23.422 1.00 30.57 C ATOM 2538 CG GLN B 825 9.196 14.873 24.606 1.00 32.42 C ATOM 2539 CD GLN B 825 10.251 14.600 25.668 1.00 34.96 C ATOM 2540 OE1 GLN B 825 10.353 13.488 26.160 1.00 36.07 O ATOM 2541 NE2 GLN B 825 11.005 15.644 26.053 1.00 28.07 N ATOM 0 H GLN B 825 6.239 14.233 23.538 1.00 24.36 H new ATOM 0 HA GLN B 825 7.736 14.839 22.264 1.00 25.87 H new ATOM 0 HB2 GLN B 825 9.408 13.031 23.738 1.00 30.57 H new ATOM 0 HB3 GLN B 825 9.977 14.177 22.846 1.00 30.57 H new ATOM 0 HG2 GLN B 825 9.304 15.782 24.285 1.00 32.42 H new ATOM 0 HG3 GLN B 825 8.319 14.820 25.017 1.00 32.42 H new ATOM 0 HE21 GLN B 825 10.900 16.411 25.679 1.00 28.07 H new ATOM 0 HE22 GLN B 825 11.592 15.545 26.673 1.00 28.07 H new ATOM 2542 N MET B 826 6.914 12.809 20.704 1.00 23.77 N ATOM 2543 CA AMET B 826 6.862 11.967 19.517 0.59 23.16 C ATOM 2544 CA BMET B 826 6.866 11.966 19.517 0.41 24.38 C ATOM 2545 C MET B 826 7.267 12.700 18.246 1.00 25.69 C ATOM 2546 O MET B 826 7.535 12.083 17.276 1.00 30.19 O ATOM 2547 CB AMET B 826 5.474 11.377 19.349 0.59 24.26 C ATOM 2548 CB BMET B 826 5.483 11.349 19.371 0.41 26.12 C ATOM 2549 CG AMET B 826 5.028 10.460 20.487 0.59 28.13 C ATOM 2550 CG BMET B 826 5.146 10.469 20.565 0.41 29.75 C ATOM 2551 SD AMET B 826 6.084 8.989 20.722 0.59 33.44 S ATOM 2552 SD BMET B 826 3.644 9.482 20.520 0.41 34.96 S ATOM 2553 CE AMET B 826 5.703 8.102 19.218 0.59 34.61 C ATOM 2554 CE BMET B 826 3.389 9.150 18.789 0.41 32.95 C ATOM 0 H AMET B 826 6.146 13.110 20.946 0.59 23.77 H new ATOM 0 H BMET B 826 6.145 13.110 20.945 0.41 23.77 H new ATOM 0 HA AMET B 826 7.510 11.258 19.655 0.59 24.38 H new ATOM 0 HA BMET B 826 7.523 11.263 19.642 0.41 24.38 H new ATOM 0 HB2AMET B 826 4.835 12.102 19.265 0.59 26.12 H new ATOM 0 HB2BMET B 826 4.820 12.052 19.286 0.41 26.12 H new ATOM 0 HB3AMET B 826 5.447 10.878 18.518 0.59 26.12 H new ATOM 0 HB3BMET B 826 5.445 10.823 18.557 0.41 26.12 H new ATOM 0 HG2AMET B 826 5.013 10.970 21.312 0.59 29.75 H new ATOM 0 HG2BMET B 826 5.891 9.863 20.702 0.41 29.75 H new ATOM 0 HG3AMET B 826 4.119 10.169 20.317 0.59 29.75 H new ATOM 0 HG3BMET B 826 5.098 11.041 21.347 0.41 29.75 H new ATOM 0 HE1AMET B 826 6.048 7.198 19.279 0.59 32.95 H new ATOM 0 HE1BMET B 826 2.644 8.538 18.683 0.41 32.95 H new ATOM 0 HE2AMET B 826 4.741 8.073 19.094 0.59 32.95 H new ATOM 0 HE2BMET B 826 3.194 9.979 18.326 0.41 32.95 H new ATOM 0 HE3AMET B 826 6.112 8.553 18.463 0.59 32.95 H new ATOM 0 HE3BMET B 826 4.190 8.752 18.414 0.41 32.95 H new ATOM 2555 N TYR B 827 7.319 14.028 18.271 1.00 23.77 N ATOM 2556 CA TYR B 827 7.718 14.819 17.101 1.00 22.41 C ATOM 2557 C TYR B 827 9.158 15.240 17.180 1.00 22.07 C ATOM 2558 O TYR B 827 9.580 15.879 18.188 1.00 24.94 O ATOM 2559 CB TYR B 827 6.798 16.063 16.951 1.00 22.32 C ATOM 2560 CG TYR B 827 5.386 15.771 16.828 1.00 19.85 C ATOM 2561 CD1 TYR B 827 4.887 14.965 15.827 1.00 20.87 C ATOM 2562 CD2 TYR B 827 4.495 16.228 17.772 1.00 22.59 C ATOM 2563 CE1 TYR B 827 3.528 14.648 15.756 1.00 21.13 C ATOM 2564 CE2 TYR B 827 3.146 15.945 17.701 1.00 21.54 C ATOM 2565 CZ TYR B 827 2.659 15.215 16.655 1.00 21.18 C ATOM 2566 OH TYR B 827 1.337 14.917 16.649 1.00 21.70 O ATOM 0 H TYR B 827 7.125 14.499 18.964 1.00 23.77 H new ATOM 0 HA TYR B 827 7.619 14.256 16.317 1.00 22.41 H new ATOM 0 HB2 TYR B 827 6.929 16.639 17.720 1.00 22.32 H new ATOM 0 HB3 TYR B 827 7.080 16.564 16.170 1.00 22.32 H new ATOM 0 HD1 TYR B 827 5.468 14.625 15.185 1.00 20.87 H new ATOM 0 HD2 TYR B 827 4.811 16.743 18.479 1.00 22.59 H new ATOM 0 HE1 TYR B 827 3.216 14.060 15.107 1.00 21.13 H new ATOM 0 HE2 TYR B 827 2.570 16.251 18.364 1.00 21.54 H new ATOM 0 HH TYR B 827 1.149 14.488 15.952 1.00 21.70 H new ATOM 2567 N THR B 828 9.977 14.882 16.157 1.00 21.35 N ATOM 2568 CA THR B 828 11.381 15.355 16.131 1.00 22.71 C ATOM 2569 C THR B 828 11.599 16.643 15.450 1.00 20.94 C ATOM 2570 O THR B 828 12.557 17.339 15.766 1.00 21.79 O ATOM 2571 CB THR B 828 12.355 14.302 15.490 1.00 22.78 C ATOM 2572 OG1 THR B 828 11.891 13.970 14.224 1.00 24.57 O ATOM 2573 CG2 THR B 828 12.310 13.033 16.275 1.00 25.72 C ATOM 0 H THR B 828 9.746 14.385 15.494 1.00 21.35 H new ATOM 0 HA THR B 828 11.579 15.482 17.072 1.00 22.71 H new ATOM 0 HB THR B 828 13.247 14.682 15.470 1.00 22.78 H new ATOM 0 HG1 THR B 828 12.408 13.408 13.874 1.00 24.57 H new ATOM 0 HG21 THR B 828 12.912 12.385 15.877 1.00 25.72 H new ATOM 0 HG22 THR B 828 12.582 13.208 17.189 1.00 25.72 H new ATOM 0 HG23 THR B 828 11.406 12.680 16.269 1.00 25.72 H new ATOM 2574 N ARG B 829 10.698 16.996 14.496 1.00 21.26 N ATOM 2575 CA AARG B 829 10.759 18.246 13.782 0.49 21.32 C ATOM 2576 CA BARG B 829 10.772 18.272 13.837 0.51 22.11 C ATOM 2577 C ARG B 829 9.365 18.948 13.854 1.00 19.11 C ATOM 2578 O ARG B 829 8.345 18.296 14.047 1.00 20.53 O ATOM 2579 CB AARG B 829 11.120 17.995 12.316 0.49 22.37 C ATOM 2580 CB BARG B 829 11.272 18.103 12.406 0.51 24.55 C ATOM 2581 CG AARG B 829 12.529 17.430 12.139 0.49 22.84 C ATOM 2582 CG BARG B 829 12.741 17.661 12.347 0.51 26.07 C ATOM 2583 CD AARG B 829 12.836 16.986 10.716 0.49 24.64 C ATOM 2584 CD BARG B 829 13.195 17.383 10.932 0.51 29.89 C ATOM 2585 NE AARG B 829 14.266 16.649 10.687 0.49 28.21 N ATOM 2586 NE BARG B 829 14.524 16.740 10.947 0.51 32.32 N ATOM 2587 CZ AARG B 829 14.735 15.486 11.127 0.49 24.42 C ATOM 2588 CZ BARG B 829 15.695 17.347 10.876 0.51 29.98 C ATOM 2589 NH1AARG B 829 13.900 14.532 11.576 0.49 21.31 N ATOM 2590 NH1BARG B 829 16.786 16.587 10.896 0.51 28.22 N ATOM 2591 NH2AARG B 829 16.029 15.293 11.091 0.49 26.86 N ATOM 2592 NH2BARG B 829 15.800 18.670 10.715 0.51 30.03 N ATOM 0 H AARG B 829 10.039 16.495 14.262 0.49 21.26 H new ATOM 0 H BARG B 829 10.049 16.495 14.235 0.51 21.26 H new ATOM 0 HA AARG B 829 11.437 18.811 14.186 0.49 22.11 H new ATOM 0 HA BARG B 829 11.401 18.840 14.309 0.51 22.11 H new ATOM 0 HB2AARG B 829 10.478 17.378 11.931 0.49 24.55 H new ATOM 0 HB2BARG B 829 10.721 17.448 11.949 0.51 24.55 H new ATOM 0 HB3AARG B 829 11.046 18.827 11.822 0.49 24.55 H new ATOM 0 HB3BARG B 829 11.170 18.942 11.929 0.51 24.55 H new ATOM 0 HG2AARG B 829 13.175 18.103 12.406 0.49 26.07 H new ATOM 0 HG2BARG B 829 13.301 18.351 12.735 0.51 26.07 H new ATOM 0 HG3AARG B 829 12.643 16.675 12.737 0.49 26.07 H new ATOM 0 HG3BARG B 829 12.859 16.863 12.886 0.51 26.07 H new ATOM 0 HD2AARG B 829 12.295 16.220 10.469 0.49 29.89 H new ATOM 0 HD2BARG B 829 12.554 16.808 10.485 0.51 29.89 H new ATOM 0 HD3AARG B 829 12.634 17.692 10.082 0.49 29.89 H new ATOM 0 HD3BARG B 829 13.233 18.211 10.428 0.51 29.89 H new ATOM 0 HE AARG B 829 14.821 17.227 10.373 0.49 32.32 H new ATOM 0 HE BARG B 829 14.537 15.882 11.008 0.51 32.32 H new ATOM 0 HH11AARG B 829 13.051 14.671 11.581 0.49 28.22 H new ATOM 0 HH11BARG B 829 16.713 15.732 10.954 0.51 28.22 H new ATOM 0 HH12AARG B 829 14.215 13.783 11.858 0.49 28.22 H new ATOM 0 HH12BARG B 829 17.564 16.950 10.851 0.51 28.22 H new ATOM 0 HH21AARG B 829 16.547 15.909 10.789 0.49 30.03 H new ATOM 0 HH21BARG B 829 15.091 19.153 10.654 0.51 30.03 H new ATOM 0 HH22AARG B 829 16.361 14.550 11.369 0.49 30.03 H new ATOM 0 HH22BARG B 829 16.576 19.038 10.672 0.51 30.03 H new ATOM 2593 N VAL B 830 9.389 20.238 13.676 1.00 21.42 N ATOM 2594 CA VAL B 830 8.093 21.037 13.582 1.00 24.00 C ATOM 2595 C VAL B 830 7.140 20.446 12.514 1.00 24.96 C ATOM 2596 O VAL B 830 5.924 20.286 12.715 1.00 21.08 O ATOM 2597 CB VAL B 830 8.411 22.541 13.376 1.00 22.96 C ATOM 2598 CG1 VAL B 830 7.118 23.260 13.012 1.00 23.43 C ATOM 2599 CG2 VAL B 830 9.044 23.176 14.529 1.00 24.21 C ATOM 0 H VAL B 830 10.107 20.705 13.603 1.00 21.42 H new ATOM 0 HA VAL B 830 7.609 20.966 14.420 1.00 24.00 H new ATOM 0 HB VAL B 830 9.061 22.607 12.659 1.00 22.96 H new ATOM 0 HG11 VAL B 830 7.299 24.204 12.879 1.00 23.43 H new ATOM 0 HG12 VAL B 830 6.757 22.882 12.195 1.00 23.43 H new ATOM 0 HG13 VAL B 830 6.474 23.152 13.730 1.00 23.43 H new ATOM 0 HG21 VAL B 830 9.214 24.110 14.331 1.00 24.21 H new ATOM 0 HG22 VAL B 830 8.457 23.110 15.298 1.00 24.21 H new ATOM 0 HG23 VAL B 830 9.883 22.730 14.724 1.00 24.21 H new ATOM 2600 N GLU B 831 7.704 19.999 11.373 1.00 23.99 N ATOM 2601 CA GLU B 831 7.000 19.240 10.403 1.00 25.17 C ATOM 2602 C GLU B 831 6.042 18.203 10.836 1.00 22.07 C ATOM 2603 O GLU B 831 4.947 18.108 10.312 1.00 24.00 O ATOM 2604 CB GLU B 831 8.033 18.598 9.416 1.00 32.97 C ATOM 2605 CG GLU B 831 7.454 17.727 8.368 1.00 42.59 C ATOM 2606 CD GLU B 831 8.577 17.002 7.584 1.00 48.70 C ATOM 2607 OE1 GLU B 831 9.361 16.219 8.182 1.00 48.06 O ATOM 2608 OE2 GLU B 831 8.684 17.326 6.403 1.00 49.63 O ATOM 0 H GLU B 831 8.525 20.148 11.165 1.00 23.99 H new ATOM 0 HA GLU B 831 6.417 19.904 10.004 1.00 25.17 H new ATOM 0 HB2 GLU B 831 8.531 19.310 8.985 1.00 32.97 H new ATOM 0 HB3 GLU B 831 8.670 18.079 9.931 1.00 32.97 H new ATOM 0 HG2 GLU B 831 6.862 17.074 8.773 1.00 42.59 H new ATOM 0 HG3 GLU B 831 6.917 18.258 7.759 1.00 42.59 H new ATOM 2609 N GLY B 832 6.449 17.328 11.759 1.00 21.84 N ATOM 2610 CA GLY B 832 5.608 16.241 12.187 1.00 21.13 C ATOM 2611 C GLY B 832 4.316 16.745 12.881 1.00 17.93 C ATOM 2612 O GLY B 832 3.243 16.174 12.704 1.00 20.79 O ATOM 0 H GLY B 832 7.217 17.358 12.145 1.00 21.84 H new ATOM 0 HA2 GLY B 832 5.371 15.695 11.421 1.00 21.13 H new ATOM 0 HA3 GLY B 832 6.102 15.672 12.798 1.00 21.13 H new ATOM 2613 N PHE B 833 4.479 17.740 13.744 1.00 20.46 N ATOM 2614 CA PHE B 833 3.359 18.381 14.475 1.00 19.56 C ATOM 2615 C PHE B 833 2.421 19.063 13.444 1.00 19.35 C ATOM 2616 O PHE B 833 1.226 18.786 13.414 1.00 19.75 O ATOM 2617 CB PHE B 833 3.900 19.379 15.474 1.00 21.44 C ATOM 2618 CG PHE B 833 2.840 20.323 16.033 1.00 18.90 C ATOM 2619 CD1 PHE B 833 1.979 19.884 16.995 1.00 20.23 C ATOM 2620 CD2 PHE B 833 2.727 21.595 15.580 1.00 21.86 C ATOM 2621 CE1 PHE B 833 0.951 20.730 17.493 1.00 21.68 C ATOM 2622 CE2 PHE B 833 1.739 22.463 16.092 1.00 24.00 C ATOM 2623 CZ PHE B 833 0.884 22.014 17.059 1.00 21.94 C ATOM 0 H PHE B 833 5.248 18.075 13.932 1.00 20.46 H new ATOM 0 HA PHE B 833 2.853 17.717 14.969 1.00 19.56 H new ATOM 0 HB2 PHE B 833 4.313 18.898 16.208 1.00 21.44 H new ATOM 0 HB3 PHE B 833 4.597 19.903 15.050 1.00 21.44 H new ATOM 0 HD1 PHE B 833 2.065 19.021 17.329 1.00 20.23 H new ATOM 0 HD2 PHE B 833 3.309 21.901 14.922 1.00 21.86 H new ATOM 0 HE1 PHE B 833 0.332 20.408 18.108 1.00 21.68 H new ATOM 0 HE2 PHE B 833 1.670 23.334 15.774 1.00 24.00 H new ATOM 0 HZ PHE B 833 0.252 22.592 17.422 1.00 21.94 H new ATOM 2624 N VAL B 834 2.962 19.812 12.519 1.00 20.37 N ATOM 2625 CA VAL B 834 2.113 20.549 11.569 1.00 22.66 C ATOM 2626 C VAL B 834 1.391 19.557 10.662 1.00 24.33 C ATOM 2627 O VAL B 834 0.215 19.689 10.338 1.00 22.44 O ATOM 2628 CB VAL B 834 2.948 21.523 10.773 1.00 22.48 C ATOM 2629 CG1 VAL B 834 2.205 22.088 9.540 1.00 23.36 C ATOM 2630 CG2 VAL B 834 3.414 22.649 11.665 1.00 24.01 C ATOM 0 H VAL B 834 3.808 19.919 12.409 1.00 20.37 H new ATOM 0 HA VAL B 834 1.447 21.062 12.052 1.00 22.66 H new ATOM 0 HB VAL B 834 3.713 21.032 10.435 1.00 22.48 H new ATOM 0 HG11 VAL B 834 2.785 22.705 9.067 1.00 23.36 H new ATOM 0 HG12 VAL B 834 1.958 21.360 8.949 1.00 23.36 H new ATOM 0 HG13 VAL B 834 1.405 22.554 9.829 1.00 23.36 H new ATOM 0 HG21 VAL B 834 3.950 23.271 11.148 1.00 24.01 H new ATOM 0 HG22 VAL B 834 2.644 23.112 12.031 1.00 24.01 H new ATOM 0 HG23 VAL B 834 3.948 22.288 12.390 1.00 24.01 H new ATOM 2631 N GLN B 835 2.067 18.496 10.240 1.00 24.03 N ATOM 2632 CA GLN B 835 1.418 17.510 9.428 1.00 23.24 C ATOM 2633 C GLN B 835 0.242 16.834 10.076 1.00 23.89 C ATOM 2634 O GLN B 835 -0.786 16.666 9.457 1.00 23.21 O ATOM 2635 CB GLN B 835 2.398 16.409 8.972 1.00 27.44 C ATOM 2636 CG GLN B 835 3.278 16.936 7.891 1.00 33.90 C ATOM 2637 CD GLN B 835 4.336 15.947 7.443 1.00 42.38 C ATOM 2638 OE1 GLN B 835 4.575 14.906 8.085 1.00 47.19 O ATOM 2639 NE2 GLN B 835 4.958 16.256 6.294 1.00 50.80 N ATOM 0 H GLN B 835 2.894 18.339 10.416 1.00 24.03 H new ATOM 0 HA GLN B 835 1.089 18.021 8.672 1.00 23.24 H new ATOM 0 HB2 GLN B 835 2.936 16.111 9.722 1.00 27.44 H new ATOM 0 HB3 GLN B 835 1.905 15.637 8.652 1.00 27.44 H new ATOM 0 HG2 GLN B 835 2.731 17.182 7.129 1.00 33.90 H new ATOM 0 HG3 GLN B 835 3.712 17.746 8.202 1.00 33.90 H new ATOM 0 HE21 GLN B 835 4.763 16.985 5.882 1.00 50.80 H new ATOM 0 HE22 GLN B 835 5.551 15.725 5.970 1.00 50.80 H new ATOM 2640 N ASP B 836 0.355 16.524 11.347 1.00 20.49 N ATOM 2641 CA ASP B 836 -0.746 15.895 12.080 1.00 19.76 C ATOM 2642 C ASP B 836 -1.910 16.946 12.209 1.00 18.52 C ATOM 2643 O ASP B 836 -3.039 16.573 12.143 1.00 20.71 O ATOM 2644 CB ASP B 836 -0.264 15.429 13.448 1.00 23.29 C ATOM 2645 CG ASP B 836 0.292 13.976 13.431 1.00 26.61 C ATOM 2646 OD1 ASP B 836 0.302 13.351 12.343 1.00 27.01 O ATOM 2647 OD2 ASP B 836 0.645 13.505 14.544 1.00 26.04 O ATOM 0 H ASP B 836 1.061 16.666 11.817 1.00 20.49 H new ATOM 0 HA ASP B 836 -1.070 15.113 11.606 1.00 19.76 H new ATOM 0 HB2 ASP B 836 0.427 16.031 13.765 1.00 23.29 H new ATOM 0 HB3 ASP B 836 -0.998 15.482 14.080 1.00 23.29 H new ATOM 2648 N MET B 837 -1.579 18.136 12.512 1.00 18.45 N ATOM 2649 CA MET B 837 -2.672 19.171 12.684 1.00 20.85 C ATOM 2650 C MET B 837 -3.421 19.382 11.357 1.00 21.94 C ATOM 2651 O MET B 837 -4.678 19.381 11.300 1.00 22.92 O ATOM 2652 CB MET B 837 -2.062 20.454 13.107 1.00 19.19 C ATOM 2653 CG MET B 837 -1.521 20.538 14.524 1.00 21.59 C ATOM 2654 SD MET B 837 -2.777 20.265 15.786 1.00 20.53 S ATOM 2655 CE MET B 837 -3.539 21.940 15.700 1.00 22.11 C ATOM 0 H MET B 837 -0.775 18.416 12.631 1.00 18.45 H new ATOM 0 HA MET B 837 -3.300 18.860 13.355 1.00 20.85 H new ATOM 0 HB2 MET B 837 -1.336 20.656 12.497 1.00 19.19 H new ATOM 0 HB3 MET B 837 -2.727 21.152 12.998 1.00 19.19 H new ATOM 0 HG2 MET B 837 -0.815 19.882 14.633 1.00 21.59 H new ATOM 0 HG3 MET B 837 -1.121 21.411 14.659 1.00 21.59 H new ATOM 0 HE1 MET B 837 -4.172 22.046 16.427 1.00 22.11 H new ATOM 0 HE2 MET B 837 -2.846 22.615 15.774 1.00 22.11 H new ATOM 0 HE3 MET B 837 -4.001 22.043 14.853 1.00 22.11 H new ATOM 2656 N ARG B 838 -2.661 19.447 10.259 1.00 21.81 N ATOM 2657 CA ARG B 838 -3.311 19.535 8.918 1.00 23.53 C ATOM 2658 C ARG B 838 -4.139 18.342 8.534 1.00 23.90 C ATOM 2659 O ARG B 838 -5.233 18.473 7.942 1.00 24.42 O ATOM 2660 CB ARG B 838 -2.268 19.939 7.841 1.00 25.92 C ATOM 2661 CG ARG B 838 -1.726 21.341 8.042 1.00 26.55 C ATOM 2662 CD ARG B 838 -0.584 21.692 7.087 1.00 27.99 C ATOM 2663 NE ARG B 838 -0.275 23.115 7.118 1.00 24.64 N ATOM 2664 CZ ARG B 838 0.832 23.693 6.624 1.00 28.82 C ATOM 2665 NH1 ARG B 838 1.835 22.987 6.090 1.00 32.02 N ATOM 2666 NH2 ARG B 838 0.976 24.964 6.746 1.00 27.59 N ATOM 0 H ARG B 838 -1.801 19.443 10.253 1.00 21.81 H new ATOM 0 HA ARG B 838 -3.973 20.241 8.979 1.00 23.53 H new ATOM 0 HB2 ARG B 838 -1.532 19.307 7.857 1.00 25.92 H new ATOM 0 HB3 ARG B 838 -2.676 19.878 6.963 1.00 25.92 H new ATOM 0 HG2 ARG B 838 -2.446 21.979 7.923 1.00 26.55 H new ATOM 0 HG3 ARG B 838 -1.414 21.432 8.956 1.00 26.55 H new ATOM 0 HD2 ARG B 838 0.207 21.184 7.327 1.00 27.99 H new ATOM 0 HD3 ARG B 838 -0.825 21.432 6.184 1.00 27.99 H new ATOM 0 HE ARG B 838 -0.855 23.633 7.486 1.00 24.64 H new ATOM 0 HH11 ARG B 838 1.785 22.129 6.054 1.00 32.02 H new ATOM 0 HH12 ARG B 838 2.529 23.391 5.783 1.00 32.02 H new ATOM 0 HH21 ARG B 838 0.369 25.430 7.139 1.00 27.59 H new ATOM 0 HH22 ARG B 838 1.679 25.349 6.435 1.00 27.59 H new ATOM 2667 N LEU B 839 -3.691 17.150 8.938 1.00 23.73 N ATOM 2668 CA LEU B 839 -4.427 15.957 8.693 1.00 23.89 C ATOM 2669 C LEU B 839 -5.804 15.966 9.331 1.00 24.03 C ATOM 2670 O LEU B 839 -6.743 15.421 8.777 1.00 22.12 O ATOM 2671 CB LEU B 839 -3.637 14.755 9.155 1.00 24.90 C ATOM 2672 CG LEU B 839 -4.193 13.379 9.096 1.00 31.10 C ATOM 2673 CD1 LEU B 839 -4.455 12.961 7.648 1.00 33.11 C ATOM 2674 CD2 LEU B 839 -3.152 12.444 9.745 1.00 33.70 C ATOM 0 H LEU B 839 -2.951 17.032 9.360 1.00 23.73 H new ATOM 0 HA LEU B 839 -4.569 15.905 7.735 1.00 23.89 H new ATOM 0 HB2 LEU B 839 -2.814 14.747 8.641 1.00 24.90 H new ATOM 0 HB3 LEU B 839 -3.393 14.919 10.079 1.00 24.90 H new ATOM 0 HG LEU B 839 -5.041 13.334 9.565 1.00 31.10 H new ATOM 0 HD11 LEU B 839 -4.817 12.061 7.631 1.00 33.11 H new ATOM 0 HD12 LEU B 839 -5.091 13.573 7.244 1.00 33.11 H new ATOM 0 HD13 LEU B 839 -3.624 12.984 7.149 1.00 33.11 H new ATOM 0 HD21 LEU B 839 -3.480 11.531 9.726 1.00 33.70 H new ATOM 0 HD22 LEU B 839 -2.318 12.498 9.253 1.00 33.70 H new ATOM 0 HD23 LEU B 839 -3.003 12.714 10.665 1.00 33.70 H new ATOM 2675 N ILE B 840 -5.914 16.549 10.528 1.00 19.94 N ATOM 2676 CA ILE B 840 -7.212 16.643 11.204 1.00 21.18 C ATOM 2677 C ILE B 840 -8.266 17.288 10.238 1.00 21.30 C ATOM 2678 O ILE B 840 -9.383 16.791 10.067 1.00 24.20 O ATOM 2679 CB ILE B 840 -7.072 17.502 12.459 1.00 20.32 C ATOM 2680 CG1 ILE B 840 -6.279 16.731 13.508 1.00 20.51 C ATOM 2681 CG2 ILE B 840 -8.444 17.860 12.988 1.00 21.87 C ATOM 2682 CD1 ILE B 840 -6.023 17.519 14.808 1.00 20.52 C ATOM 0 H ILE B 840 -5.256 16.893 10.962 1.00 19.94 H new ATOM 0 HA ILE B 840 -7.510 15.754 11.453 1.00 21.18 H new ATOM 0 HB ILE B 840 -6.600 18.322 12.246 1.00 20.32 H new ATOM 0 HG12 ILE B 840 -6.756 15.915 13.725 1.00 20.51 H new ATOM 0 HG13 ILE B 840 -5.426 16.469 13.127 1.00 20.51 H new ATOM 0 HG21 ILE B 840 -8.352 18.405 13.785 1.00 21.87 H new ATOM 0 HG22 ILE B 840 -8.932 18.356 12.312 1.00 21.87 H new ATOM 0 HG23 ILE B 840 -8.929 17.049 13.206 1.00 21.87 H new ATOM 0 HD11 ILE B 840 -5.516 16.969 15.426 1.00 20.52 H new ATOM 0 HD12 ILE B 840 -5.521 18.324 14.605 1.00 20.52 H new ATOM 0 HD13 ILE B 840 -6.871 17.761 15.212 1.00 20.52 H new ATOM 2683 N PHE B 841 -7.876 18.397 9.662 1.00 22.83 N ATOM 2684 CA PHE B 841 -8.834 19.209 8.826 1.00 25.48 C ATOM 2685 C PHE B 841 -9.004 18.580 7.475 1.00 28.45 C ATOM 2686 O PHE B 841 -10.095 18.571 6.944 1.00 24.71 O ATOM 2687 CB PHE B 841 -8.405 20.654 8.782 1.00 24.52 C ATOM 2688 CG PHE B 841 -8.121 21.214 10.175 1.00 27.93 C ATOM 2689 CD1 PHE B 841 -9.152 21.287 11.130 1.00 30.15 C ATOM 2690 CD2 PHE B 841 -6.814 21.640 10.537 1.00 27.22 C ATOM 2691 CE1 PHE B 841 -8.889 21.722 12.425 1.00 30.63 C ATOM 2692 CE2 PHE B 841 -6.545 22.119 11.826 1.00 28.68 C ATOM 2693 CZ PHE B 841 -7.593 22.155 12.759 1.00 31.80 C ATOM 0 H PHE B 841 -7.082 18.722 9.720 1.00 22.83 H new ATOM 0 HA PHE B 841 -9.713 19.208 9.236 1.00 25.48 H new ATOM 0 HB2 PHE B 841 -7.609 20.737 8.233 1.00 24.52 H new ATOM 0 HB3 PHE B 841 -9.099 21.183 8.358 1.00 24.52 H new ATOM 0 HD1 PHE B 841 -10.017 21.042 10.893 1.00 30.15 H new ATOM 0 HD2 PHE B 841 -6.128 21.600 9.910 1.00 27.22 H new ATOM 0 HE1 PHE B 841 -9.564 21.726 13.064 1.00 30.63 H new ATOM 0 HE2 PHE B 841 -5.692 22.407 12.058 1.00 28.68 H new ATOM 0 HZ PHE B 841 -7.427 22.472 13.617 1.00 31.80 H new ATOM 2694 N HIS B 842 -7.963 17.904 6.980 1.00 26.82 N ATOM 2695 CA HIS B 842 -8.108 17.052 5.791 1.00 25.58 C ATOM 2696 C HIS B 842 -9.123 15.993 5.878 1.00 25.65 C ATOM 2697 O HIS B 842 -10.029 15.913 5.006 1.00 27.22 O ATOM 2698 CB HIS B 842 -6.721 16.545 5.314 1.00 29.11 C ATOM 2699 CG HIS B 842 -6.819 15.557 4.194 1.00 34.90 C ATOM 2700 ND1 HIS B 842 -6.769 15.946 2.871 1.00 36.69 N ATOM 2701 CD2 HIS B 842 -7.022 14.212 4.189 1.00 39.25 C ATOM 2702 CE1 HIS B 842 -6.920 14.892 2.096 1.00 39.90 C ATOM 2703 NE2 HIS B 842 -7.087 13.827 2.865 1.00 45.30 N ATOM 0 H HIS B 842 -7.170 17.924 7.313 1.00 26.82 H new ATOM 0 HA HIS B 842 -8.478 17.626 5.103 1.00 25.58 H new ATOM 0 HB2 HIS B 842 -6.186 17.301 5.027 1.00 29.11 H new ATOM 0 HB3 HIS B 842 -6.256 16.136 6.061 1.00 29.11 H new ATOM 0 HD2 HIS B 842 -7.102 13.659 4.933 1.00 39.25 H new ATOM 0 HE1 HIS B 842 -6.911 14.895 1.166 1.00 39.90 H new ATOM 0 HE2 HIS B 842 -7.215 13.024 2.585 1.00 45.30 H new ATOM 2704 N ASN B 843 -9.058 15.163 6.926 1.00 23.17 N ATOM 2705 CA ASN B 843 -9.943 14.120 7.107 1.00 23.91 C ATOM 2706 C ASN B 843 -11.381 14.648 7.219 1.00 25.12 C ATOM 2707 O ASN B 843 -12.330 13.957 6.784 1.00 26.24 O ATOM 2708 CB ASN B 843 -9.593 13.281 8.323 1.00 24.38 C ATOM 2709 CG ASN B 843 -8.285 12.481 8.116 1.00 28.24 C ATOM 2710 OD1 ASN B 843 -7.789 12.346 6.958 1.00 26.60 O ATOM 2711 ND2 ASN B 843 -7.752 11.950 9.190 1.00 27.13 N ATOM 0 H ASN B 843 -8.465 15.229 7.546 1.00 23.17 H new ATOM 0 HA ASN B 843 -9.876 13.546 6.328 1.00 23.91 H new ATOM 0 HB2 ASN B 843 -9.500 13.858 9.097 1.00 24.38 H new ATOM 0 HB3 ASN B 843 -10.320 12.668 8.512 1.00 24.38 H new ATOM 0 HD21 ASN B 843 -7.032 11.484 9.127 1.00 27.13 H new ATOM 0 HD22 ASN B 843 -8.123 12.067 9.957 1.00 27.13 H new ATOM 2712 N HIS B 844 -11.533 15.751 7.944 1.00 23.99 N ATOM 2713 CA HIS B 844 -12.887 16.331 8.190 1.00 25.04 C ATOM 2714 C HIS B 844 -13.550 16.689 6.799 1.00 25.20 C ATOM 2715 O HIS B 844 -14.665 16.314 6.534 1.00 24.49 O ATOM 2716 CB HIS B 844 -12.738 17.595 8.987 1.00 25.64 C ATOM 2717 CG HIS B 844 -14.014 18.298 9.231 1.00 24.04 C ATOM 2718 ND1 HIS B 844 -14.853 17.955 10.274 1.00 25.94 N ATOM 2719 CD2 HIS B 844 -14.593 19.344 8.593 1.00 23.91 C ATOM 2720 CE1 HIS B 844 -15.919 18.729 10.247 1.00 28.13 C ATOM 2721 NE2 HIS B 844 -15.820 19.543 9.203 1.00 26.93 N ATOM 0 H HIS B 844 -10.885 16.186 8.305 1.00 23.99 H new ATOM 0 HA HIS B 844 -13.437 15.694 8.671 1.00 25.04 H new ATOM 0 HB2 HIS B 844 -12.326 17.384 9.840 1.00 25.64 H new ATOM 0 HB3 HIS B 844 -12.133 18.193 8.520 1.00 25.64 H new ATOM 0 HD2 HIS B 844 -14.237 19.832 7.886 1.00 23.91 H new ATOM 0 HE1 HIS B 844 -16.622 18.709 10.856 1.00 28.13 H new ATOM 0 HE2 HIS B 844 -16.420 20.103 8.947 1.00 26.93 H new ATOM 2722 N LYS B 845 -12.805 17.337 5.953 1.00 26.21 N ATOM 2723 CA LYS B 845 -13.279 17.709 4.578 1.00 30.16 C ATOM 2724 C LYS B 845 -13.550 16.464 3.752 1.00 31.93 C ATOM 2725 O LYS B 845 -14.552 16.421 3.077 1.00 30.15 O ATOM 2726 CB LYS B 845 -12.274 18.616 3.932 1.00 36.48 C ATOM 2727 CG LYS B 845 -12.547 18.995 2.475 1.00 57.84 C ATOM 2728 CD LYS B 845 -11.471 19.864 1.772 1.00 64.74 C ATOM 2729 CE LYS B 845 -10.026 19.350 1.898 1.00 72.16 C ATOM 2730 NZ LYS B 845 -9.788 17.921 1.520 1.00 74.66 N ATOM 0 H LYS B 845 -12.002 17.591 6.126 1.00 26.21 H new ATOM 0 HA LYS B 845 -14.119 18.191 4.639 1.00 30.16 H new ATOM 0 HB2 LYS B 845 -12.219 19.432 4.454 1.00 36.48 H new ATOM 0 HB3 LYS B 845 -11.404 18.190 3.979 1.00 36.48 H new ATOM 0 HG2 LYS B 845 -12.658 18.178 1.965 1.00 57.84 H new ATOM 0 HG3 LYS B 845 -13.392 19.470 2.438 1.00 57.84 H new ATOM 0 HD2 LYS B 845 -11.694 19.930 0.830 1.00 64.74 H new ATOM 0 HD3 LYS B 845 -11.512 20.762 2.137 1.00 64.74 H new ATOM 0 HE2 LYS B 845 -9.456 19.909 1.346 1.00 72.16 H new ATOM 0 HE3 LYS B 845 -9.740 19.472 2.817 1.00 72.16 H new ATOM 0 HZ1 LYS B 845 -8.927 17.725 1.628 1.00 74.66 H new ATOM 0 HZ2 LYS B 845 -10.280 17.391 2.039 1.00 74.66 H new ATOM 0 HZ3 LYS B 845 -10.016 17.797 0.669 1.00 74.66 H new ATOM 2731 N GLU B 846 -12.739 15.400 3.823 1.00 29.66 N ATOM 2732 CA GLU B 846 -13.000 14.211 3.037 1.00 32.30 C ATOM 2733 C GLU B 846 -14.131 13.414 3.505 1.00 34.17 C ATOM 2734 O GLU B 846 -14.688 12.637 2.734 1.00 34.87 O ATOM 2735 CB GLU B 846 -11.760 13.271 2.912 1.00 34.89 C ATOM 2736 CG GLU B 846 -10.582 13.863 2.208 1.00 40.00 C ATOM 2737 CD GLU B 846 -10.821 14.075 0.735 1.00 47.93 C ATOM 2738 OE1 GLU B 846 -11.444 13.200 0.098 1.00 42.87 O ATOM 2739 OE2 GLU B 846 -10.440 15.158 0.247 1.00 50.97 O ATOM 0 H GLU B 846 -12.039 15.356 4.320 1.00 29.66 H new ATOM 0 HA GLU B 846 -13.223 14.575 2.166 1.00 32.30 H new ATOM 0 HB2 GLU B 846 -11.485 13.002 3.802 1.00 34.89 H new ATOM 0 HB3 GLU B 846 -12.028 12.466 2.442 1.00 34.89 H new ATOM 0 HG2 GLU B 846 -10.359 14.712 2.620 1.00 40.00 H new ATOM 0 HG3 GLU B 846 -9.815 13.281 2.326 1.00 40.00 H new ATOM 2740 N PHE B 847 -14.518 13.536 4.766 1.00 24.70 N ATOM 2741 CA PHE B 847 -15.637 12.805 5.251 1.00 24.48 C ATOM 2742 C PHE B 847 -16.977 13.543 4.990 1.00 25.41 C ATOM 2743 O PHE B 847 -17.924 12.896 4.636 1.00 27.92 O ATOM 2744 CB PHE B 847 -15.555 12.524 6.773 1.00 25.28 C ATOM 2745 CG PHE B 847 -16.645 11.702 7.288 1.00 22.69 C ATOM 2746 CD1 PHE B 847 -16.635 10.336 7.139 1.00 22.29 C ATOM 2747 CD2 PHE B 847 -17.640 12.256 8.043 1.00 25.78 C ATOM 2748 CE1 PHE B 847 -17.622 9.564 7.632 1.00 25.73 C ATOM 2749 CE2 PHE B 847 -18.646 11.488 8.554 1.00 28.03 C ATOM 2750 CZ PHE B 847 -18.627 10.127 8.380 1.00 31.11 C ATOM 0 H PHE B 847 -14.135 14.042 5.347 1.00 24.70 H new ATOM 0 HA PHE B 847 -15.613 11.968 4.761 1.00 24.48 H new ATOM 0 HB2 PHE B 847 -14.712 12.084 6.966 1.00 25.28 H new ATOM 0 HB3 PHE B 847 -15.548 13.370 7.248 1.00 25.28 H new ATOM 0 HD1 PHE B 847 -15.929 9.935 6.686 1.00 22.29 H new ATOM 0 HD2 PHE B 847 -17.632 13.171 8.211 1.00 25.78 H new ATOM 0 HE1 PHE B 847 -17.623 8.649 7.466 1.00 25.73 H new ATOM 0 HE2 PHE B 847 -19.345 11.887 9.020 1.00 28.03 H new ATOM 0 HZ PHE B 847 -19.285 9.593 8.763 1.00 31.11 H new ATOM 2751 N TYR B 848 -16.998 14.818 5.295 1.00 25.75 N ATOM 2752 CA TYR B 848 -18.241 15.600 5.248 1.00 28.02 C ATOM 2753 C TYR B 848 -18.525 16.110 3.824 1.00 31.40 C ATOM 2754 O TYR B 848 -19.709 16.334 3.512 1.00 29.30 O ATOM 2755 CB TYR B 848 -18.285 16.731 6.279 1.00 25.02 C ATOM 2756 CG TYR B 848 -18.506 16.163 7.659 1.00 24.93 C ATOM 2757 CD1 TYR B 848 -19.699 15.593 8.045 1.00 21.43 C ATOM 2758 CD2 TYR B 848 -17.466 16.098 8.572 1.00 25.91 C ATOM 2759 CE1 TYR B 848 -19.890 15.008 9.250 1.00 26.16 C ATOM 2760 CE2 TYR B 848 -17.671 15.517 9.817 1.00 23.87 C ATOM 2761 CZ TYR B 848 -18.844 14.978 10.156 1.00 26.26 C ATOM 2762 OH TYR B 848 -19.088 14.438 11.357 1.00 26.06 O ATOM 0 H TYR B 848 -16.305 15.266 5.536 1.00 25.75 H new ATOM 0 HA TYR B 848 -18.955 14.993 5.496 1.00 28.02 H new ATOM 0 HB2 TYR B 848 -17.455 17.232 6.256 1.00 25.02 H new ATOM 0 HB3 TYR B 848 -18.997 17.352 6.059 1.00 25.02 H new ATOM 0 HD1 TYR B 848 -20.410 15.611 7.446 1.00 21.43 H new ATOM 0 HD2 TYR B 848 -16.631 16.443 8.351 1.00 25.91 H new ATOM 0 HE1 TYR B 848 -20.712 14.631 9.466 1.00 26.16 H new ATOM 0 HE2 TYR B 848 -16.972 15.503 10.431 1.00 23.87 H new ATOM 0 HH TYR B 848 -19.678 13.845 11.283 1.00 26.06 H new ATOM 2763 N ARG B 849 -17.484 16.232 2.998 1.00 32.33 N ATOM 2764 CA ARG B 849 -17.593 16.488 1.546 1.00 34.63 C ATOM 2765 C ARG B 849 -18.545 17.662 1.258 1.00 39.18 C ATOM 2766 O ARG B 849 -18.194 18.801 1.597 1.00 38.01 O ATOM 2767 CB ARG B 849 -17.881 15.205 0.774 1.00 35.45 C ATOM 2768 CG ARG B 849 -16.923 14.057 1.176 1.00 40.79 C ATOM 2769 CD ARG B 849 -16.958 12.794 0.307 1.00 42.12 C ATOM 2770 NE ARG B 849 -16.272 13.080 -0.929 1.00 38.07 N ATOM 2771 CZ ARG B 849 -14.947 13.105 -1.104 1.00 43.98 C ATOM 2772 NH1 ARG B 849 -14.086 12.789 -0.125 1.00 41.21 N ATOM 2773 NH2 ARG B 849 -14.453 13.460 -2.293 1.00 41.86 N ATOM 0 H ARG B 849 -16.670 16.167 3.268 1.00 32.33 H new ATOM 0 HA ARG B 849 -16.733 16.783 1.208 1.00 34.63 H new ATOM 0 HB2 ARG B 849 -18.798 14.931 0.934 1.00 35.45 H new ATOM 0 HB3 ARG B 849 -17.798 15.376 -0.177 1.00 35.45 H new ATOM 0 HG2 ARG B 849 -16.017 14.403 1.171 1.00 40.79 H new ATOM 0 HG3 ARG B 849 -17.124 13.801 2.090 1.00 40.79 H new ATOM 0 HD2 ARG B 849 -16.532 12.054 0.767 1.00 42.12 H new ATOM 0 HD3 ARG B 849 -17.874 12.529 0.132 1.00 42.12 H new ATOM 0 HE ARG B 849 -16.760 13.250 -1.616 1.00 38.07 H new ATOM 0 HH11 ARG B 849 -14.381 12.560 0.650 1.00 41.21 H new ATOM 0 HH12 ARG B 849 -13.239 12.816 -0.272 1.00 41.21 H new ATOM 0 HH21 ARG B 849 -14.986 13.669 -2.935 1.00 41.86 H new ATOM 0 HH22 ARG B 849 -13.602 13.480 -2.417 1.00 41.86 H new ATOM 2774 N GLU B 850 -19.697 17.411 0.633 1.00 41.35 N ATOM 2775 CA AGLU B 850 -20.626 18.496 0.244 0.44 40.53 C ATOM 2776 CA BGLU B 850 -20.628 18.483 0.233 0.56 43.52 C ATOM 2777 C GLU B 850 -21.432 19.103 1.397 1.00 42.66 C ATOM 2778 O GLU B 850 -21.959 20.217 1.260 1.00 41.18 O ATOM 2779 CB AGLU B 850 -21.590 18.033 -0.869 0.44 41.59 C ATOM 2780 CB BGLU B 850 -21.575 17.988 -0.897 0.56 48.71 C ATOM 2781 CG AGLU B 850 -21.147 18.483 -2.243 0.44 41.76 C ATOM 2782 CG BGLU B 850 -22.700 17.023 -0.506 0.56 53.25 C ATOM 2783 CD AGLU B 850 -19.732 18.093 -2.531 0.44 43.71 C ATOM 2784 CD BGLU B 850 -22.245 15.583 -0.350 0.56 60.13 C ATOM 2785 OE1AGLU B 850 -18.875 18.989 -2.716 0.44 47.70 O ATOM 2786 OE1BGLU B 850 -22.700 14.730 -1.142 0.56 70.63 O ATOM 2787 OE2AGLU B 850 -19.479 16.877 -2.542 0.44 50.19 O ATOM 2788 OE2BGLU B 850 -21.434 15.304 0.562 0.56 58.04 O ATOM 0 H AGLU B 850 -19.966 16.622 0.422 0.44 41.35 H new ATOM 0 H BGLU B 850 -19.964 16.620 0.428 0.56 41.35 H new ATOM 0 HA AGLU B 850 -20.046 19.202 -0.082 0.44 43.52 H new ATOM 0 HA BGLU B 850 -20.070 19.203 -0.101 0.56 43.52 H new ATOM 0 HB2AGLU B 850 -21.655 17.065 -0.854 0.44 48.71 H new ATOM 0 HB2BGLU B 850 -21.979 18.766 -1.311 0.56 48.71 H new ATOM 0 HB3AGLU B 850 -22.478 18.380 -0.689 0.44 48.71 H new ATOM 0 HB3BGLU B 850 -21.032 17.556 -1.575 0.56 48.71 H new ATOM 0 HG2AGLU B 850 -21.731 18.096 -2.913 0.44 53.25 H new ATOM 0 HG2BGLU B 850 -23.095 17.321 0.328 0.56 53.25 H new ATOM 0 HG3AGLU B 850 -21.236 19.446 -2.311 0.44 53.25 H new ATOM 0 HG3BGLU B 850 -23.397 17.062 -1.180 0.56 53.25 H new ATOM 2789 N ASP B 851 -21.529 18.383 2.527 1.00 36.38 N ATOM 2790 CA ASP B 851 -22.263 18.877 3.675 1.00 34.94 C ATOM 2791 C ASP B 851 -21.686 20.183 4.136 1.00 33.09 C ATOM 2792 O ASP B 851 -20.476 20.386 4.179 1.00 34.03 O ATOM 2793 CB ASP B 851 -22.296 17.868 4.811 1.00 40.08 C ATOM 2794 CG ASP B 851 -23.369 18.195 5.886 1.00 38.80 C ATOM 2795 OD1 ASP B 851 -23.258 19.191 6.657 1.00 34.60 O ATOM 2796 OD2 ASP B 851 -24.308 17.399 5.996 1.00 39.31 O ATOM 0 H ASP B 851 -21.173 17.608 2.637 1.00 36.38 H new ATOM 0 HA ASP B 851 -23.182 19.019 3.397 1.00 34.94 H new ATOM 0 HB2 ASP B 851 -22.469 16.985 4.447 1.00 40.08 H new ATOM 0 HB3 ASP B 851 -21.423 17.835 5.233 1.00 40.08 H new ATOM 2797 N LYS B 852 -22.556 21.113 4.494 1.00 27.65 N ATOM 2798 CA LYS B 852 -22.079 22.394 4.967 1.00 29.00 C ATOM 2799 C LYS B 852 -21.182 22.340 6.229 1.00 25.88 C ATOM 2800 O LYS B 852 -20.531 23.351 6.562 1.00 28.30 O ATOM 2801 CB LYS B 852 -23.265 23.308 5.231 1.00 33.24 C ATOM 2802 CG LYS B 852 -24.238 22.713 6.236 1.00 35.92 C ATOM 2803 CD LYS B 852 -25.421 23.662 6.464 1.00 41.42 C ATOM 2804 CE LYS B 852 -26.408 23.111 7.492 1.00 43.40 C ATOM 2805 NZ LYS B 852 -27.626 23.956 7.648 1.00 40.45 N ATOM 0 H LYS B 852 -23.411 21.024 4.471 1.00 27.65 H new ATOM 0 HA LYS B 852 -21.511 22.736 4.259 1.00 29.00 H new ATOM 0 HB2 LYS B 852 -22.945 24.163 5.560 1.00 33.24 H new ATOM 0 HB3 LYS B 852 -23.730 23.481 4.397 1.00 33.24 H new ATOM 0 HG2 LYS B 852 -24.561 21.857 5.914 1.00 35.92 H new ATOM 0 HG3 LYS B 852 -23.783 22.547 7.076 1.00 35.92 H new ATOM 0 HD2 LYS B 852 -25.090 24.523 6.764 1.00 41.42 H new ATOM 0 HD3 LYS B 852 -25.881 23.812 5.623 1.00 41.42 H new ATOM 0 HE2 LYS B 852 -26.674 22.216 7.229 1.00 43.40 H new ATOM 0 HE3 LYS B 852 -25.963 23.034 8.350 1.00 43.40 H new ATOM 0 HZ1 LYS B 852 -28.165 23.592 8.256 1.00 40.45 H new ATOM 0 HZ2 LYS B 852 -27.390 24.772 7.913 1.00 40.45 H new ATOM 0 HZ3 LYS B 852 -28.052 24.010 6.868 1.00 40.45 H new ATOM 2806 N PHE B 853 -21.268 21.218 6.931 1.00 27.48 N ATOM 2807 CA PHE B 853 -20.473 20.974 8.184 1.00 26.43 C ATOM 2808 C PHE B 853 -18.974 20.983 7.841 1.00 29.23 C ATOM 2809 O PHE B 853 -18.137 21.312 8.686 1.00 24.35 O ATOM 2810 CB PHE B 853 -20.966 19.726 8.859 1.00 26.44 C ATOM 2811 CG PHE B 853 -20.409 19.518 10.267 1.00 24.58 C ATOM 2812 CD1 PHE B 853 -20.638 20.443 11.265 1.00 27.54 C ATOM 2813 CD2 PHE B 853 -19.591 18.415 10.551 1.00 25.46 C ATOM 2814 CE1 PHE B 853 -20.139 20.243 12.536 1.00 29.22 C ATOM 2815 CE2 PHE B 853 -19.117 18.192 11.836 1.00 27.62 C ATOM 2816 CZ PHE B 853 -19.347 19.144 12.820 1.00 26.52 C ATOM 0 H PHE B 853 -21.782 20.564 6.713 1.00 27.48 H new ATOM 0 HA PHE B 853 -20.599 21.683 8.833 1.00 26.43 H new ATOM 0 HB2 PHE B 853 -21.934 19.756 8.906 1.00 26.44 H new ATOM 0 HB3 PHE B 853 -20.732 18.960 8.312 1.00 26.44 H new ATOM 0 HD1 PHE B 853 -21.133 21.208 11.079 1.00 27.54 H new ATOM 0 HD2 PHE B 853 -19.363 17.825 9.869 1.00 25.46 H new ATOM 0 HE1 PHE B 853 -20.337 20.853 13.209 1.00 29.22 H new ATOM 0 HE2 PHE B 853 -18.650 17.413 12.036 1.00 27.62 H new ATOM 0 HZ PHE B 853 -18.971 19.044 13.665 1.00 26.52 H new ATOM 2817 N THR B 854 -18.653 20.809 6.558 1.00 28.04 N ATOM 2818 CA ATHR B 854 -17.251 20.990 6.042 0.45 29.80 C ATOM 2819 CA BTHR B 854 -17.241 20.949 6.141 0.55 28.79 C ATOM 2820 C THR B 854 -16.649 22.305 6.472 1.00 28.31 C ATOM 2821 O THR B 854 -15.448 22.407 6.744 1.00 25.50 O ATOM 2822 CB ATHR B 854 -17.153 20.927 4.477 0.45 31.74 C ATOM 2823 CB BTHR B 854 -17.053 20.590 4.649 0.55 27.46 C ATOM 2824 OG1ATHR B 854 -15.823 20.626 4.065 0.45 31.02 O ATOM 2825 OG1BTHR B 854 -17.879 21.440 3.831 0.55 37.58 O ATOM 2826 CG2ATHR B 854 -17.519 22.301 3.808 0.45 32.03 C ATOM 2827 CG2BTHR B 854 -17.418 19.227 4.443 0.55 22.61 C ATOM 0 H ATHR B 854 -19.222 20.585 5.953 0.45 28.04 H new ATOM 0 H BTHR B 854 -19.208 20.617 5.930 0.55 28.04 H new ATOM 0 HA ATHR B 854 -16.760 20.248 6.428 0.45 28.79 H new ATOM 0 HA BTHR B 854 -16.740 20.306 6.667 0.55 28.79 H new ATOM 0 HB ATHR B 854 -17.778 20.239 4.201 0.45 27.46 H new ATOM 0 HB BTHR B 854 -16.124 20.720 4.402 0.55 27.46 H new ATOM 0 HG1ATHR B 854 -15.790 20.595 3.226 0.45 37.58 H new ATOM 0 HG1BTHR B 854 -18.676 21.178 3.870 0.55 37.58 H new ATOM 0 HG21ATHR B 854 -17.447 22.221 2.844 0.45 22.61 H new ATOM 0 HG21BTHR B 854 -17.301 18.998 3.508 0.55 22.61 H new ATOM 0 HG22ATHR B 854 -18.428 22.544 4.045 0.45 22.61 H new ATOM 0 HG22BTHR B 854 -16.855 18.655 4.988 0.55 22.61 H new ATOM 0 HG23ATHR B 854 -16.909 22.987 4.122 0.45 22.61 H new ATOM 0 HG23BTHR B 854 -18.346 19.099 4.693 0.55 22.61 H new ATOM 2828 N ARG B 855 -17.479 23.365 6.534 1.00 25.76 N ATOM 2829 CA ARG B 855 -16.992 24.672 6.773 1.00 24.89 C ATOM 2830 C ARG B 855 -16.349 24.786 8.182 1.00 24.95 C ATOM 2831 O ARG B 855 -15.504 25.630 8.347 1.00 25.03 O ATOM 2832 CB ARG B 855 -18.101 25.700 6.561 1.00 30.01 C ATOM 2833 CG ARG B 855 -17.845 27.099 6.929 1.00 35.37 C ATOM 2834 CD ARG B 855 -19.089 27.950 6.494 1.00 41.89 C ATOM 2835 NE ARG B 855 -18.926 29.371 6.812 1.00 52.59 N ATOM 2836 CZ ARG B 855 -19.435 30.028 7.866 1.00 55.05 C ATOM 2837 NH1 ARG B 855 -20.249 29.446 8.800 1.00 46.84 N ATOM 2838 NH2 ARG B 855 -19.149 31.329 7.962 1.00 51.64 N ATOM 0 H ARG B 855 -18.332 23.315 6.435 1.00 25.76 H new ATOM 0 HA ARG B 855 -16.290 24.861 6.131 1.00 24.89 H new ATOM 0 HB2 ARG B 855 -18.343 25.682 5.622 1.00 30.01 H new ATOM 0 HB3 ARG B 855 -18.878 25.402 7.060 1.00 30.01 H new ATOM 0 HG2 ARG B 855 -17.698 27.177 7.885 1.00 35.37 H new ATOM 0 HG3 ARG B 855 -17.042 27.423 6.491 1.00 35.37 H new ATOM 0 HD2 ARG B 855 -19.231 27.848 5.540 1.00 41.89 H new ATOM 0 HD3 ARG B 855 -19.882 27.610 6.937 1.00 41.89 H new ATOM 0 HE ARG B 855 -18.453 29.835 6.264 1.00 52.59 H new ATOM 0 HH11 ARG B 855 -20.460 28.615 8.729 1.00 46.84 H new ATOM 0 HH12 ARG B 855 -20.550 29.911 9.458 1.00 46.84 H new ATOM 0 HH21 ARG B 855 -18.659 31.707 7.364 1.00 51.64 H new ATOM 0 HH22 ARG B 855 -19.454 31.789 8.621 1.00 51.64 H new ATOM 2839 N LEU B 856 -16.762 23.942 9.147 1.00 22.76 N ATOM 2840 CA LEU B 856 -16.167 24.004 10.510 1.00 25.52 C ATOM 2841 C LEU B 856 -14.650 23.701 10.428 1.00 24.38 C ATOM 2842 O LEU B 856 -13.845 24.381 11.055 1.00 26.80 O ATOM 2843 CB LEU B 856 -16.832 23.011 11.446 1.00 26.53 C ATOM 2844 CG LEU B 856 -18.023 23.505 12.290 1.00 31.59 C ATOM 2845 CD1 LEU B 856 -17.611 24.732 13.128 1.00 33.29 C ATOM 2846 CD2 LEU B 856 -19.177 23.841 11.387 1.00 33.13 C ATOM 0 H LEU B 856 -17.368 23.341 9.043 1.00 22.76 H new ATOM 0 HA LEU B 856 -16.309 24.897 10.862 1.00 25.52 H new ATOM 0 HB2 LEU B 856 -17.135 22.258 10.915 1.00 26.53 H new ATOM 0 HB3 LEU B 856 -16.155 22.675 12.054 1.00 26.53 H new ATOM 0 HG LEU B 856 -18.297 22.802 12.899 1.00 31.59 H new ATOM 0 HD11 LEU B 856 -18.368 25.034 13.654 1.00 33.29 H new ATOM 0 HD12 LEU B 856 -16.882 24.490 13.720 1.00 33.29 H new ATOM 0 HD13 LEU B 856 -17.324 25.446 12.537 1.00 33.29 H new ATOM 0 HD21 LEU B 856 -19.925 24.152 11.920 1.00 33.13 H new ATOM 0 HD22 LEU B 856 -18.911 24.538 10.767 1.00 33.13 H new ATOM 0 HD23 LEU B 856 -19.440 23.050 10.890 1.00 33.13 H new ATOM 2847 N GLY B 857 -14.325 22.769 9.565 1.00 25.58 N ATOM 2848 CA GLY B 857 -12.904 22.358 9.297 1.00 25.07 C ATOM 2849 C GLY B 857 -12.093 23.467 8.696 1.00 27.83 C ATOM 2850 O GLY B 857 -10.990 23.754 9.128 1.00 28.55 O ATOM 0 H GLY B 857 -14.904 22.336 9.100 1.00 25.58 H new ATOM 0 HA2 GLY B 857 -12.491 22.071 10.126 1.00 25.07 H new ATOM 0 HA3 GLY B 857 -12.898 21.595 8.698 1.00 25.07 H new ATOM 2851 N ILE B 858 -12.683 24.177 7.705 1.00 28.04 N ATOM 2852 CA ILE B 858 -12.056 25.322 7.150 1.00 26.84 C ATOM 2853 C ILE B 858 -11.847 26.434 8.179 1.00 27.75 C ATOM 2854 O ILE B 858 -10.801 27.084 8.220 1.00 26.66 O ATOM 2855 CB ILE B 858 -12.885 25.846 5.892 1.00 33.75 C ATOM 2856 CG1 ILE B 858 -12.849 24.789 4.776 1.00 39.27 C ATOM 2857 CG2 ILE B 858 -12.319 27.153 5.373 1.00 33.92 C ATOM 2858 CD1 ILE B 858 -13.996 24.875 3.780 1.00 48.48 C ATOM 0 H ILE B 858 -13.448 23.985 7.362 1.00 28.04 H new ATOM 0 HA ILE B 858 -11.171 25.056 6.855 1.00 26.84 H new ATOM 0 HB ILE B 858 -13.801 26.000 6.171 1.00 33.75 H new ATOM 0 HG12 ILE B 858 -12.012 24.874 4.294 1.00 39.27 H new ATOM 0 HG13 ILE B 858 -12.855 23.908 5.182 1.00 39.27 H new ATOM 0 HG21 ILE B 858 -12.839 27.451 4.610 1.00 33.92 H new ATOM 0 HG22 ILE B 858 -12.359 27.824 6.073 1.00 33.92 H new ATOM 0 HG23 ILE B 858 -11.396 27.022 5.104 1.00 33.92 H new ATOM 0 HD11 ILE B 858 -13.899 24.177 3.113 1.00 48.48 H new ATOM 0 HD12 ILE B 858 -14.839 24.761 4.246 1.00 48.48 H new ATOM 0 HD13 ILE B 858 -13.983 25.742 3.345 1.00 48.48 H new ATOM 2859 N GLN B 859 -12.881 26.706 9.014 1.00 26.18 N ATOM 2860 CA GLN B 859 -12.732 27.739 10.019 1.00 25.78 C ATOM 2861 C GLN B 859 -11.598 27.491 11.100 1.00 24.41 C ATOM 2862 O GLN B 859 -10.834 28.370 11.448 1.00 24.94 O ATOM 2863 CB GLN B 859 -14.077 27.909 10.727 1.00 28.11 C ATOM 2864 CG GLN B 859 -15.118 28.523 9.782 1.00 33.34 C ATOM 2865 CD GLN B 859 -16.468 28.653 10.453 1.00 35.88 C ATOM 2866 OE1 GLN B 859 -16.957 27.725 11.080 1.00 37.80 O ATOM 2867 NE2 GLN B 859 -17.055 29.820 10.344 1.00 41.48 N ATOM 0 H GLN B 859 -13.644 26.309 9.002 1.00 26.18 H new ATOM 0 HA GLN B 859 -12.451 28.537 9.545 1.00 25.78 H new ATOM 0 HB2 GLN B 859 -14.391 27.048 11.045 1.00 28.11 H new ATOM 0 HB3 GLN B 859 -13.967 28.476 11.506 1.00 28.11 H new ATOM 0 HG2 GLN B 859 -14.815 29.397 9.489 1.00 33.34 H new ATOM 0 HG3 GLN B 859 -15.202 27.971 8.989 1.00 33.34 H new ATOM 0 HE21 GLN B 859 -16.680 30.450 9.894 1.00 41.48 H new ATOM 0 HE22 GLN B 859 -17.815 29.956 10.722 1.00 41.48 H new ATOM 2868 N VAL B 860 -11.577 26.292 11.625 1.00 24.76 N ATOM 2869 CA VAL B 860 -10.590 25.925 12.620 1.00 24.27 C ATOM 2870 C VAL B 860 -9.214 25.855 11.966 1.00 21.76 C ATOM 2871 O VAL B 860 -8.280 26.350 12.580 1.00 22.32 O ATOM 2872 CB VAL B 860 -10.974 24.653 13.391 1.00 24.66 C ATOM 2873 CG1 VAL B 860 -9.901 24.283 14.437 1.00 24.85 C ATOM 2874 CG2 VAL B 860 -12.297 24.890 14.115 1.00 23.91 C ATOM 0 H VAL B 860 -12.129 25.665 11.420 1.00 24.76 H new ATOM 0 HA VAL B 860 -10.558 26.614 13.302 1.00 24.27 H new ATOM 0 HB VAL B 860 -11.051 23.925 12.755 1.00 24.66 H new ATOM 0 HG11 VAL B 860 -10.170 23.478 14.907 1.00 24.85 H new ATOM 0 HG12 VAL B 860 -9.054 24.128 13.991 1.00 24.85 H new ATOM 0 HG13 VAL B 860 -9.804 25.010 15.072 1.00 24.85 H new ATOM 0 HG21 VAL B 860 -12.546 24.090 14.604 1.00 23.91 H new ATOM 0 HG22 VAL B 860 -12.199 25.630 14.734 1.00 23.91 H new ATOM 0 HG23 VAL B 860 -12.988 25.100 13.467 1.00 23.91 H new ATOM 2875 N GLN B 861 -9.129 25.303 10.752 1.00 24.63 N ATOM 2876 CA GLN B 861 -7.830 25.325 10.001 1.00 24.71 C ATOM 2877 C GLN B 861 -7.297 26.738 9.831 1.00 24.09 C ATOM 2878 O GLN B 861 -6.089 27.047 10.013 1.00 23.32 O ATOM 2879 CB GLN B 861 -7.836 24.532 8.725 1.00 26.88 C ATOM 2880 CG GLN B 861 -6.393 24.586 8.125 1.00 30.63 C ATOM 2881 CD GLN B 861 -6.068 23.527 7.091 1.00 38.60 C ATOM 2882 OE1 GLN B 861 -6.934 22.792 6.627 1.00 37.29 O ATOM 2883 NE2 GLN B 861 -4.753 23.428 6.743 1.00 41.74 N ATOM 0 H GLN B 861 -9.780 24.919 10.343 1.00 24.63 H new ATOM 0 HA GLN B 861 -7.197 24.852 10.563 1.00 24.71 H new ATOM 0 HB2 GLN B 861 -8.099 23.614 8.896 1.00 26.88 H new ATOM 0 HB3 GLN B 861 -8.479 24.900 8.099 1.00 26.88 H new ATOM 0 HG2 GLN B 861 -6.261 25.458 7.722 1.00 30.63 H new ATOM 0 HG3 GLN B 861 -5.756 24.510 8.852 1.00 30.63 H new ATOM 0 HE21 GLN B 861 -4.175 23.962 7.090 1.00 41.74 H new ATOM 0 HE22 GLN B 861 -4.502 22.832 6.176 1.00 41.74 H new ATOM 2884 N ASP B 862 -8.174 27.703 9.575 1.00 26.83 N ATOM 2885 CA AASP B 862 -7.685 29.050 9.437 0.50 26.78 C ATOM 2886 CA BASP B 862 -7.739 29.091 9.454 0.50 27.59 C ATOM 2887 C ASP B 862 -7.183 29.655 10.735 1.00 25.35 C ATOM 2888 O ASP B 862 -6.219 30.444 10.736 1.00 26.84 O ATOM 2889 CB AASP B 862 -8.689 29.907 8.688 0.50 30.40 C ATOM 2890 CB BASP B 862 -8.872 29.996 8.995 0.50 32.50 C ATOM 2891 CG AASP B 862 -8.434 29.868 7.196 0.50 31.68 C ATOM 2892 CG BASP B 862 -8.394 31.427 8.726 0.50 35.96 C ATOM 2893 OD1AASP B 862 -8.859 28.902 6.533 0.50 33.15 O ATOM 2894 OD1BASP B 862 -7.335 31.597 8.070 0.50 40.88 O ATOM 2895 OD2AASP B 862 -7.721 30.773 6.714 0.50 41.81 O ATOM 2896 OD2BASP B 862 -9.054 32.390 9.180 0.50 42.12 O ATOM 0 H AASP B 862 -9.023 27.598 9.482 0.50 26.83 H new ATOM 0 H BASP B 862 -9.018 27.578 9.469 0.50 26.83 H new ATOM 0 HA AASP B 862 -6.884 29.017 8.890 0.50 27.59 H new ATOM 0 HA BASP B 862 -7.032 29.072 8.791 0.50 27.59 H new ATOM 0 HB2AASP B 862 -9.588 29.594 8.874 0.50 32.50 H new ATOM 0 HB2BASP B 862 -9.269 29.632 8.188 0.50 32.50 H new ATOM 0 HB3AASP B 862 -8.637 30.823 9.004 0.50 32.50 H new ATOM 0 HB3BASP B 862 -9.567 30.010 9.671 0.50 32.50 H new ATOM 2897 N ILE B 863 -7.772 29.263 11.873 1.00 23.08 N ATOM 2898 CA ILE B 863 -7.223 29.669 13.161 1.00 24.98 C ATOM 2899 C ILE B 863 -5.805 29.024 13.314 1.00 22.34 C ATOM 2900 O ILE B 863 -4.862 29.695 13.716 1.00 22.84 O ATOM 2901 CB ILE B 863 -8.170 29.174 14.304 1.00 26.73 C ATOM 2902 CG1 ILE B 863 -9.558 29.886 14.217 1.00 33.70 C ATOM 2903 CG2 ILE B 863 -7.479 29.240 15.685 1.00 26.23 C ATOM 2904 CD1 ILE B 863 -9.398 31.330 14.484 1.00 36.02 C ATOM 0 H ILE B 863 -8.476 28.771 11.915 1.00 23.08 H new ATOM 0 HA ILE B 863 -7.150 30.635 13.214 1.00 24.98 H new ATOM 0 HB ILE B 863 -8.360 28.231 14.180 1.00 26.73 H new ATOM 0 HG12 ILE B 863 -9.945 29.752 13.338 1.00 33.70 H new ATOM 0 HG13 ILE B 863 -10.172 29.496 14.859 1.00 33.70 H new ATOM 0 HG21 ILE B 863 -8.092 28.927 16.369 1.00 26.23 H new ATOM 0 HG22 ILE B 863 -6.688 28.678 15.679 1.00 26.23 H new ATOM 0 HG23 ILE B 863 -7.223 30.156 15.875 1.00 26.23 H new ATOM 0 HD11 ILE B 863 -10.262 31.767 14.429 1.00 36.02 H new ATOM 0 HD12 ILE B 863 -9.028 31.456 15.372 1.00 36.02 H new ATOM 0 HD13 ILE B 863 -8.798 31.716 13.827 1.00 36.02 H new ATOM 2905 N PHE B 864 -5.712 27.743 13.010 1.00 22.29 N ATOM 2906 CA PHE B 864 -4.357 27.092 13.121 1.00 22.93 C ATOM 2907 C PHE B 864 -3.330 27.827 12.251 1.00 22.63 C ATOM 2908 O PHE B 864 -2.278 28.250 12.697 1.00 25.30 O ATOM 2909 CB PHE B 864 -4.486 25.692 12.720 1.00 22.13 C ATOM 2910 CG PHE B 864 -3.145 25.025 12.544 1.00 24.50 C ATOM 2911 CD1 PHE B 864 -2.349 24.758 13.671 1.00 22.11 C ATOM 2912 CD2 PHE B 864 -2.658 24.773 11.284 1.00 24.17 C ATOM 2913 CE1 PHE B 864 -1.088 24.157 13.501 1.00 21.33 C ATOM 2914 CE2 PHE B 864 -1.434 24.139 11.109 1.00 26.74 C ATOM 2915 CZ PHE B 864 -0.637 23.866 12.207 1.00 22.40 C ATOM 0 H PHE B 864 -6.358 27.237 12.751 1.00 22.29 H new ATOM 0 HA PHE B 864 -4.039 27.138 14.036 1.00 22.93 H new ATOM 0 HB2 PHE B 864 -4.999 25.212 13.388 1.00 22.13 H new ATOM 0 HB3 PHE B 864 -4.983 25.640 11.889 1.00 22.13 H new ATOM 0 HD1 PHE B 864 -2.653 24.977 14.522 1.00 22.11 H new ATOM 0 HD2 PHE B 864 -3.153 25.030 10.540 1.00 24.17 H new ATOM 0 HE1 PHE B 864 -0.560 23.955 14.239 1.00 21.33 H new ATOM 0 HE2 PHE B 864 -1.151 23.899 10.256 1.00 26.74 H new ATOM 0 HZ PHE B 864 0.203 23.487 12.085 1.00 22.40 H new ATOM 2916 N GLU B 865 -3.714 28.088 10.996 1.00 23.20 N ATOM 2917 CA GLU B 865 -2.708 28.641 10.019 1.00 24.93 C ATOM 2918 C GLU B 865 -2.291 30.064 10.337 1.00 26.28 C ATOM 2919 O GLU B 865 -1.129 30.394 10.272 1.00 24.44 O ATOM 2920 CB GLU B 865 -3.222 28.482 8.552 1.00 26.12 C ATOM 2921 CG GLU B 865 -3.461 27.077 8.032 1.00 31.35 C ATOM 2922 CD GLU B 865 -2.184 26.200 7.846 1.00 29.82 C ATOM 2923 OE1 GLU B 865 -1.079 26.751 7.914 1.00 34.30 O ATOM 2924 OE2 GLU B 865 -2.337 24.968 7.620 1.00 28.71 O ATOM 0 H GLU B 865 -4.506 27.966 10.684 1.00 23.20 H new ATOM 0 HA GLU B 865 -1.899 28.114 10.110 1.00 24.93 H new ATOM 0 HB2 GLU B 865 -4.054 28.974 8.473 1.00 26.12 H new ATOM 0 HB3 GLU B 865 -2.582 28.912 7.964 1.00 26.12 H new ATOM 0 HG2 GLU B 865 -4.061 26.621 8.643 1.00 31.35 H new ATOM 0 HG3 GLU B 865 -3.918 27.139 7.179 1.00 31.35 H new ATOM 2925 N LYS B 866 -3.216 30.915 10.803 1.00 27.68 N ATOM 2926 CA LYS B 866 -2.858 32.276 11.216 1.00 29.74 C ATOM 2927 C LYS B 866 -1.969 32.302 12.421 1.00 25.38 C ATOM 2928 O LYS B 866 -1.022 33.069 12.500 1.00 27.15 O ATOM 2929 CB LYS B 866 -4.129 33.068 11.617 1.00 36.11 C ATOM 2930 CG LYS B 866 -5.019 33.485 10.482 1.00 51.18 C ATOM 2931 CD LYS B 866 -6.266 34.219 11.029 1.00 61.18 C ATOM 2932 CE LYS B 866 -6.831 35.206 10.022 1.00 61.20 C ATOM 2933 NZ LYS B 866 -7.416 34.503 8.858 1.00 56.10 N ATOM 0 H LYS B 866 -4.050 30.723 10.887 1.00 27.68 H new ATOM 0 HA LYS B 866 -2.400 32.665 10.455 1.00 29.74 H new ATOM 0 HB2 LYS B 866 -4.648 32.526 12.231 1.00 36.11 H new ATOM 0 HB3 LYS B 866 -3.856 33.863 12.101 1.00 36.11 H new ATOM 0 HG2 LYS B 866 -4.532 34.066 9.876 1.00 51.18 H new ATOM 0 HG3 LYS B 866 -5.291 32.706 9.971 1.00 51.18 H new ATOM 0 HD2 LYS B 866 -6.947 33.569 11.261 1.00 61.18 H new ATOM 0 HD3 LYS B 866 -6.032 34.688 11.845 1.00 61.18 H new ATOM 0 HE2 LYS B 866 -7.509 35.754 10.447 1.00 61.20 H new ATOM 0 HE3 LYS B 866 -6.129 35.805 9.723 1.00 61.20 H new ATOM 0 HZ1 LYS B 866 -7.804 35.095 8.318 1.00 56.10 H new ATOM 0 HZ2 LYS B 866 -6.773 34.075 8.416 1.00 56.10 H new ATOM 0 HZ3 LYS B 866 -8.023 33.916 9.140 1.00 56.10 H new ATOM 2934 N ASN B 867 -2.226 31.401 13.381 1.00 25.33 N ATOM 2935 CA ASN B 867 -1.356 31.360 14.577 1.00 22.38 C ATOM 2936 C ASN B 867 0.028 30.751 14.260 1.00 20.70 C ATOM 2937 O ASN B 867 0.984 31.175 14.810 1.00 25.72 O ATOM 2938 CB ASN B 867 -2.072 30.618 15.736 1.00 23.31 C ATOM 2939 CG ASN B 867 -3.140 31.519 16.438 1.00 24.98 C ATOM 2940 OD1 ASN B 867 -2.740 32.388 17.195 1.00 28.37 O ATOM 2941 ND2 ASN B 867 -4.418 31.341 16.130 1.00 29.03 N ATOM 0 H ASN B 867 -2.867 30.828 13.367 1.00 25.33 H new ATOM 0 HA ASN B 867 -1.190 32.271 14.864 1.00 22.38 H new ATOM 0 HB2 ASN B 867 -2.500 29.819 15.391 1.00 23.31 H new ATOM 0 HB3 ASN B 867 -1.415 30.329 16.388 1.00 23.31 H new ATOM 0 HD21 ASN B 867 -5.018 31.855 16.470 1.00 29.03 H new ATOM 0 HD22 ASN B 867 -4.647 30.712 15.590 1.00 29.03 H new ATOM 2942 N PHE B 868 0.072 29.801 13.360 1.00 22.97 N ATOM 2943 CA PHE B 868 1.324 29.219 12.921 1.00 23.17 C ATOM 2944 C PHE B 868 2.216 30.308 12.326 1.00 25.90 C ATOM 2945 O PHE B 868 3.343 30.473 12.717 1.00 23.42 O ATOM 2946 CB PHE B 868 1.003 28.167 11.901 1.00 22.74 C ATOM 2947 CG PHE B 868 2.226 27.473 11.283 1.00 26.17 C ATOM 2948 CD1 PHE B 868 3.245 26.923 12.058 1.00 24.88 C ATOM 2949 CD2 PHE B 868 2.354 27.406 9.883 1.00 28.58 C ATOM 2950 CE1 PHE B 868 4.362 26.313 11.458 1.00 25.67 C ATOM 2951 CE2 PHE B 868 3.482 26.800 9.296 1.00 34.14 C ATOM 2952 CZ PHE B 868 4.467 26.237 10.096 1.00 26.96 C ATOM 0 H PHE B 868 -0.625 29.469 12.980 1.00 22.97 H new ATOM 0 HA PHE B 868 1.803 28.819 13.663 1.00 23.17 H new ATOM 0 HB2 PHE B 868 0.440 27.494 12.315 1.00 22.74 H new ATOM 0 HB3 PHE B 868 0.483 28.573 11.189 1.00 22.74 H new ATOM 0 HD1 PHE B 868 3.186 26.960 12.985 1.00 24.88 H new ATOM 0 HD2 PHE B 868 1.689 27.765 9.341 1.00 28.58 H new ATOM 0 HE1 PHE B 868 5.035 25.958 11.992 1.00 25.67 H new ATOM 0 HE2 PHE B 868 3.567 26.777 8.370 1.00 34.14 H new ATOM 0 HZ PHE B 868 5.196 25.810 9.707 1.00 26.96 H new ATOM 2953 N ARG B 869 1.680 31.087 11.373 1.00 26.62 N ATOM 2954 CA ARG B 869 2.475 32.211 10.800 1.00 27.73 C ATOM 2955 C ARG B 869 2.888 33.227 11.834 1.00 29.50 C ATOM 2956 O ARG B 869 4.005 33.713 11.819 1.00 32.48 O ATOM 2957 CB ARG B 869 1.711 32.844 9.598 1.00 28.92 C ATOM 2958 CG ARG B 869 1.504 31.854 8.482 1.00 32.44 C ATOM 2959 CD ARG B 869 0.958 32.533 7.214 1.00 36.03 C ATOM 2960 NE ARG B 869 -0.283 33.235 7.504 1.00 37.75 N ATOM 2961 CZ ARG B 869 -1.500 32.732 7.298 1.00 42.77 C ATOM 2962 NH1 ARG B 869 -1.689 31.500 6.784 1.00 41.82 N ATOM 2963 NH2 ARG B 869 -2.554 33.475 7.633 1.00 45.47 N ATOM 0 H ARG B 869 0.889 30.994 11.049 1.00 26.62 H new ATOM 0 HA ARG B 869 3.310 31.847 10.467 1.00 27.73 H new ATOM 0 HB2 ARG B 869 0.851 33.175 9.900 1.00 28.92 H new ATOM 0 HB3 ARG B 869 2.208 33.607 9.265 1.00 28.92 H new ATOM 0 HG2 ARG B 869 2.345 31.415 8.278 1.00 32.44 H new ATOM 0 HG3 ARG B 869 0.887 31.164 8.771 1.00 32.44 H new ATOM 0 HD2 ARG B 869 1.615 33.157 6.866 1.00 36.03 H new ATOM 0 HD3 ARG B 869 0.806 31.868 6.525 1.00 36.03 H new ATOM 0 HE ARG B 869 -0.227 34.029 7.831 1.00 37.75 H new ATOM 0 HH11 ARG B 869 -1.012 31.012 6.578 1.00 41.82 H new ATOM 0 HH12 ARG B 869 -2.487 31.203 6.662 1.00 41.82 H new ATOM 0 HH21 ARG B 869 -2.439 34.257 7.972 1.00 45.47 H new ATOM 0 HH22 ARG B 869 -3.350 33.173 7.510 1.00 45.47 H new ATOM 2964 N ASN B 870 2.018 33.546 12.787 1.00 29.40 N ATOM 2965 CA ASN B 870 2.382 34.529 13.776 1.00 32.54 C ATOM 2966 C ASN B 870 3.445 34.035 14.731 1.00 34.08 C ATOM 2967 O ASN B 870 4.394 34.732 15.034 1.00 32.52 O ATOM 2968 CB ASN B 870 1.151 34.911 14.557 1.00 34.42 C ATOM 2969 CG ASN B 870 1.427 35.952 15.567 1.00 44.48 C ATOM 2970 OD1 ASN B 870 1.397 35.692 16.771 1.00 59.80 O ATOM 2971 ND2 ASN B 870 1.746 37.125 15.107 1.00 51.04 N ATOM 0 H ASN B 870 1.231 33.209 12.872 1.00 29.40 H new ATOM 0 HA ASN B 870 2.753 35.293 13.307 1.00 32.54 H new ATOM 0 HB2 ASN B 870 0.469 35.230 13.945 1.00 34.42 H new ATOM 0 HB3 ASN B 870 0.793 34.124 14.997 1.00 34.42 H new ATOM 0 HD21 ASN B 870 1.948 37.760 15.651 1.00 51.04 H new ATOM 0 HD22 ASN B 870 1.755 37.266 14.259 1.00 51.04 H new ATOM 2972 N ILE B 871 3.244 32.835 15.262 1.00 30.69 N ATOM 2973 CA ILE B 871 4.159 32.287 16.304 1.00 28.18 C ATOM 2974 C ILE B 871 5.576 32.079 15.729 1.00 27.82 C ATOM 2975 O ILE B 871 6.561 32.377 16.397 1.00 31.60 O ATOM 2976 CB ILE B 871 3.560 30.989 16.922 1.00 28.24 C ATOM 2977 CG1 ILE B 871 2.360 31.380 17.744 1.00 30.39 C ATOM 2978 CG2 ILE B 871 4.598 30.238 17.805 1.00 32.69 C ATOM 2979 CD1 ILE B 871 1.387 30.259 18.016 1.00 29.71 C ATOM 0 H ILE B 871 2.595 32.314 15.046 1.00 30.69 H new ATOM 0 HA ILE B 871 4.245 32.930 17.026 1.00 28.18 H new ATOM 0 HB ILE B 871 3.306 30.382 16.209 1.00 28.24 H new ATOM 0 HG12 ILE B 871 2.667 31.738 18.592 1.00 30.39 H new ATOM 0 HG13 ILE B 871 1.890 32.096 17.288 1.00 30.39 H new ATOM 0 HG21 ILE B 871 4.192 29.437 18.172 1.00 32.69 H new ATOM 0 HG22 ILE B 871 5.365 29.992 17.265 1.00 32.69 H new ATOM 0 HG23 ILE B 871 4.885 30.816 18.529 1.00 32.69 H new ATOM 0 HD11 ILE B 871 0.648 30.594 18.548 1.00 29.71 H new ATOM 0 HD12 ILE B 871 1.049 29.913 17.175 1.00 29.71 H new ATOM 0 HD13 ILE B 871 1.838 29.549 18.500 1.00 29.71 H new ATOM 2980 N PHE B 872 5.657 31.564 14.508 1.00 28.40 N ATOM 2981 CA PHE B 872 6.934 31.241 13.878 1.00 27.96 C ATOM 2982 C PHE B 872 7.435 32.358 12.933 1.00 34.32 C ATOM 2983 O PHE B 872 8.432 32.177 12.253 1.00 36.62 O ATOM 2984 CB PHE B 872 6.843 29.915 13.149 1.00 29.25 C ATOM 2985 CG PHE B 872 6.755 28.705 14.098 1.00 29.76 C ATOM 2986 CD1 PHE B 872 7.908 28.085 14.559 1.00 30.50 C ATOM 2987 CD2 PHE B 872 5.531 28.251 14.595 1.00 30.66 C ATOM 2988 CE1 PHE B 872 7.834 27.004 15.448 1.00 26.46 C ATOM 2989 CE2 PHE B 872 5.451 27.147 15.448 1.00 30.32 C ATOM 2990 CZ PHE B 872 6.604 26.522 15.858 1.00 27.76 C ATOM 0 H PHE B 872 4.971 31.391 14.019 1.00 28.40 H new ATOM 0 HA PHE B 872 7.591 31.167 14.588 1.00 27.96 H new ATOM 0 HB2 PHE B 872 6.064 29.923 12.572 1.00 29.25 H new ATOM 0 HB3 PHE B 872 7.619 29.814 12.576 1.00 29.25 H new ATOM 0 HD1 PHE B 872 8.739 28.390 14.275 1.00 30.50 H new ATOM 0 HD2 PHE B 872 4.750 28.694 14.352 1.00 30.66 H new ATOM 0 HE1 PHE B 872 8.615 26.609 15.763 1.00 26.46 H new ATOM 0 HE2 PHE B 872 4.623 26.837 15.736 1.00 30.32 H new ATOM 0 HZ PHE B 872 6.557 25.776 16.411 1.00 27.76 H new ATOM 2991 N ALA B 873 6.773 33.525 12.941 1.00 31.18 N ATOM 2992 CA ALA B 873 7.129 34.665 12.038 1.00 32.69 C ATOM 2993 C ALA B 873 7.332 34.289 10.598 1.00 35.56 C ATOM 2994 O ALA B 873 8.382 34.510 10.048 1.00 36.89 O ATOM 2995 CB ALA B 873 8.362 35.387 12.618 1.00 36.36 C ATOM 0 H ALA B 873 6.108 33.688 13.462 1.00 31.18 H new ATOM 0 HA ALA B 873 6.364 35.261 12.015 1.00 32.69 H new ATOM 0 HB1 ALA B 873 8.604 36.129 12.042 1.00 36.36 H new ATOM 0 HB2 ALA B 873 8.154 35.721 13.505 1.00 36.36 H new ATOM 0 HB3 ALA B 873 9.105 34.766 12.673 1.00 36.36 H new ATOM 2996 N ILE B 874 6.349 33.656 9.983 1.00 35.51 N ATOM 2997 CA ILE B 874 6.476 33.164 8.607 1.00 42.87 C ATOM 2998 C ILE B 874 6.125 34.355 7.727 1.00 52.80 C ATOM 2999 O ILE B 874 5.133 35.029 8.039 1.00 47.19 O ATOM 3000 CB ILE B 874 5.454 32.067 8.302 1.00 43.53 C ATOM 3001 CG1 ILE B 874 5.647 30.851 9.236 1.00 50.82 C ATOM 3002 CG2 ILE B 874 5.467 31.701 6.810 1.00 44.23 C ATOM 3003 CD1 ILE B 874 6.498 29.747 8.706 1.00 53.76 C ATOM 0 H ILE B 874 5.586 33.495 10.345 1.00 35.51 H new ATOM 0 HA ILE B 874 7.364 32.802 8.462 1.00 42.87 H new ATOM 0 HB ILE B 874 4.565 32.409 8.488 1.00 43.53 H new ATOM 0 HG12 ILE B 874 6.035 31.163 10.068 1.00 50.82 H new ATOM 0 HG13 ILE B 874 4.773 30.488 9.449 1.00 50.82 H new ATOM 0 HG21 ILE B 874 4.812 31.005 6.642 1.00 44.23 H new ATOM 0 HG22 ILE B 874 5.248 32.485 6.282 1.00 44.23 H new ATOM 0 HG23 ILE B 874 6.349 31.381 6.563 1.00 44.23 H new ATOM 0 HD11 ILE B 874 6.555 29.037 9.365 1.00 53.76 H new ATOM 0 HD12 ILE B 874 6.106 29.399 7.890 1.00 53.76 H new ATOM 0 HD13 ILE B 874 7.387 30.085 8.518 1.00 53.76 H new ATOM 3004 N GLN B 875 6.920 34.617 6.678 1.00 61.45 N ATOM 3005 CA GLN B 875 6.624 35.646 5.635 1.00 71.73 C ATOM 3006 C GLN B 875 5.114 35.756 5.218 1.00 88.92 C ATOM 3007 O GLN B 875 4.421 34.735 5.074 1.00 90.59 O ATOM 3008 CB GLN B 875 7.477 35.366 4.378 1.00 74.68 C ATOM 3009 CG GLN B 875 7.285 33.965 3.744 1.00 74.90 C ATOM 3010 CD GLN B 875 7.411 33.938 2.206 1.00 79.24 C ATOM 3011 OE1 GLN B 875 8.199 34.682 1.610 1.00 83.64 O ATOM 3012 NE2 GLN B 875 6.648 33.068 1.565 1.00 73.81 N ATOM 0 H GLN B 875 7.660 34.200 6.542 1.00 61.45 H new ATOM 0 HA GLN B 875 6.849 36.498 6.041 1.00 71.73 H new ATOM 0 HB2 GLN B 875 7.271 36.038 3.709 1.00 74.68 H new ATOM 0 HB3 GLN B 875 8.413 35.474 4.610 1.00 74.68 H new ATOM 0 HG2 GLN B 875 7.941 33.358 4.122 1.00 74.90 H new ATOM 0 HG3 GLN B 875 6.410 33.627 3.992 1.00 74.90 H new ATOM 0 HE21 GLN B 875 6.109 32.563 2.005 1.00 73.81 H new ATOM 0 HE22 GLN B 875 6.691 33.008 0.708 1.00 73.81 H new ATOM 3013 N GLU B 876 4.615 36.984 5.021 1.00 98.65 N ATOM 3014 CA GLU B 876 3.185 37.225 4.682 1.00103.86 C ATOM 3015 C GLU B 876 2.856 37.004 3.192 1.00103.24 C ATOM 3016 O GLU B 876 3.515 36.226 2.487 1.00 96.15 O ATOM 3017 CB GLU B 876 2.757 38.644 5.095 1.00 98.80 C ATOM 0 H GLU B 876 5.086 37.701 5.078 1.00 98.65 H new ATOM 0 HA GLU B 876 2.683 36.565 5.185 1.00103.86 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.252 7.760 4.161 1.00 27.40 ZN2+ HETATM 3020 ZN ZN A 902 22.472 -6.463 2.812 1.00 34.24 ZN2+ HETATM 3021 ZN ZN A 903 34.490 -20.170 14.876 0.43 72.11 ZN2+ HETATM 3022 O1 MES A 904 18.787 32.236 23.534 0.59 29.70 O HETATM 3023 C2 MES A 904 18.702 31.716 24.847 0.59 30.69 C HETATM 3024 C3 MES A 904 18.864 30.224 24.914 0.59 30.96 C HETATM 3025 N4 MES A 904 17.939 29.574 24.017 0.59 30.10 N HETATM 3026 C5 MES A 904 18.115 29.987 22.619 0.59 28.52 C HETATM 3027 C6 MES A 904 18.417 31.484 22.375 0.59 30.69 C HETATM 3028 C7 MES A 904 17.819 28.083 24.139 0.59 27.04 C HETATM 3029 C8 MES A 904 18.037 27.450 25.501 0.59 24.89 C HETATM 3030 S MES A 904 17.252 25.932 25.624 0.59 23.91 S HETATM 3031 O1S MES A 904 17.922 25.200 26.692 0.59 24.79 O HETATM 3032 O2S MES A 904 17.313 25.223 24.362 0.59 23.07 O HETATM 3033 O3S MES A 904 15.875 26.298 26.041 0.59 24.38 O HETATM 0 HN4 MES A 904 17.179 29.866 24.295 0.59 30.10 H new HETATM 0 H82 MES A 904 18.988 27.337 25.658 0.59 24.89 H new HETATM 0 H81 MES A 904 17.704 28.044 26.192 0.59 24.89 H new HETATM 0 H72 MES A 904 16.933 27.832 23.835 0.59 27.04 H new HETATM 0 H71 MES A 904 18.453 27.684 23.523 0.59 27.04 H new HETATM 0 H62 MES A 904 17.633 31.895 21.979 0.59 30.69 H new HETATM 0 H61 MES A 904 19.132 31.551 21.723 0.59 30.69 H new HETATM 0 H52 MES A 904 18.838 29.465 22.237 0.59 28.52 H new HETATM 0 H51 MES A 904 17.309 29.756 22.130 0.59 28.52 H new HETATM 0 H32 MES A 904 19.774 29.981 24.681 0.59 30.96 H new HETATM 0 H31 MES A 904 18.712 29.917 25.822 0.59 30.96 H new HETATM 0 H22 MES A 904 19.384 32.133 25.397 0.59 30.69 H new HETATM 0 H21 MES A 904 17.843 31.958 25.228 0.59 30.69 H new HETATM 3034 C1 EDO A 905 31.834 -0.492 31.847 1.00 61.25 C HETATM 3035 O1 EDO A 905 30.423 -0.239 31.692 1.00 66.82 O HETATM 3036 C2 EDO A 905 32.098 -1.854 32.451 1.00 55.00 C HETATM 3037 O2 EDO A 905 33.111 -2.588 31.730 1.00 45.26 O HETATM 0 HO2 EDO A 905 33.229 -3.335 32.095 1.00 45.26 H new HETATM 0 HO1 EDO A 905 30.131 -0.673 31.035 1.00 66.82 H new HETATM 0 H22 EDO A 905 32.375 -1.747 33.375 1.00 55.00 H new HETATM 0 H21 EDO A 905 31.275 -2.367 32.459 1.00 55.00 H new HETATM 0 H12 EDO A 905 32.270 -0.431 30.983 1.00 61.25 H new HETATM 0 H11 EDO A 905 32.225 0.193 32.411 1.00 61.25 H new HETATM 3038 ZN ZN B 901 -10.419 25.328 30.851 1.00 24.04 ZN2+ HETATM 3039 ZN ZN B 902 0.822 34.590 32.106 1.00 27.31 ZN2+ HETATM 3040 C1 EDO B 903 12.684 26.292 28.450 1.00 46.75 C HETATM 3041 O1 EDO B 903 11.414 26.278 29.112 1.00 38.01 O HETATM 3042 C2 EDO B 903 12.439 26.396 26.957 1.00 47.84 C HETATM 3043 O2 EDO B 903 11.771 27.635 26.710 1.00 47.68 O HETATM 0 HO2 EDO B 903 11.336 27.860 27.392 1.00 47.68 H new HETATM 0 HO1 EDO B 903 11.069 25.516 29.040 1.00 38.01 H new HETATM 0 H22 EDO B 903 13.278 26.359 26.471 1.00 47.84 H new HETATM 0 H21 EDO B 903 11.900 25.651 26.648 1.00 47.84 H new HETATM 0 H12 EDO B 903 13.218 27.041 28.758 1.00 46.75 H new HETATM 0 H11 EDO B 903 13.182 25.485 28.656 1.00 46.75 H new HETATM 3044 O HOH A1001 16.040 23.102 27.458 1.00131.94 O HETATM 3045 O HOH A1002 44.825 1.420 23.249 1.00 42.27 O HETATM 3046 O HOH A1003 19.437 25.312 33.184 1.00 38.25 O HETATM 3047 O HOH A1004 19.001 5.112 29.010 1.00 40.62 O HETATM 3048 O HOH A1005 36.514 0.639 30.110 1.00 49.79 O HETATM 3049 O HOH A1006 34.827 4.983 6.901 1.00 37.11 O HETATM 3050 O HOH A1007 29.879 -8.507 33.855 1.00 92.63 O HETATM 3051 O HOH A1008 19.262 -0.237 27.712 1.00 57.00 O HETATM 3052 O HOH A1009 13.923 4.923 26.717 1.00 49.39 O HETATM 3053 O HOH A1010 14.237 4.390 29.340 1.00 62.59 O HETATM 3054 O HOH A1011 25.980 18.635 35.974 1.00 59.50 O HETATM 3055 O HOH A1012 16.030 15.646 34.776 1.00 50.84 O HETATM 3056 O HOH A1013 39.490 -9.984 24.318 1.00 45.57 O HETATM 3057 O HOH A1014 19.463 15.953 33.972 1.00 47.75 O HETATM 3058 O HOH A1015 15.332 3.049 16.838 1.00 28.78 O HETATM 3059 O HOH A1016 16.843 -1.769 9.747 1.00 51.64 O HETATM 3060 O HOH A1017 10.417 0.065 -0.512 1.00 65.44 O HETATM 3061 O HOH A1018 29.128 14.801 31.005 1.00 30.59 O HETATM 3062 O HOH A1019 17.452 -12.654 28.455 1.00 47.60 O HETATM 3063 O HOH A1020 30.839 21.189 13.398 1.00 34.30 O HETATM 3064 O HOH A1021 35.489 -1.782 31.590 1.00 44.35 O HETATM 3065 O HOH A1022 33.191 23.578 30.240 1.00 75.37 O HETATM 3066 O BHOH A1023 19.113 12.712 29.848 0.64 31.06 O HETATM 3067 O HOH A1024 46.165 -7.157 17.807 1.00 56.07 O HETATM 3068 O HOH A1025 30.252 -5.758 -0.717 1.00 62.80 O HETATM 3069 O HOH A1026 34.773 -1.387 7.943 1.00 27.40 O HETATM 3070 O HOH A1027 23.044 -8.906 26.823 1.00 52.70 O HETATM 3071 O HOH A1028 22.091 -4.382 -5.958 1.00 60.03 O HETATM 3072 O HOH A1029 47.973 -0.649 24.403 1.00 55.22 O HETATM 3073 O HOH A1030 25.500 22.176 14.538 1.00 31.60 O HETATM 3074 O HOH A1031 32.390 21.781 20.255 1.00 29.45 O HETATM 3075 O HOH A1032 24.472 17.827 24.965 1.00 23.40 O HETATM 3076 O HOH A1033 6.923 17.267 26.384 1.00 46.19 O HETATM 3077 O HOH A1034 19.036 26.162 17.649 1.00 82.24 O HETATM 3078 O HOH A1035 19.309 -11.319 2.634 1.00 64.77 O HETATM 3079 O HOH A1036 35.015 17.900 21.844 1.00 35.78 O HETATM 3080 O HOH A1037 31.516 -9.936 21.218 1.00 28.50 O HETATM 3081 O HOH A1038 34.600 -13.639 9.686 1.00 48.03 O HETATM 3082 O HOH A1039 35.424 10.054 25.597 1.00 28.79 O HETATM 3083 O HOH A1040 14.490 10.722 8.283 1.00 43.35 O HETATM 3084 O HOH A1041 28.851 7.119 6.312 1.00 30.18 O HETATM 3085 O HOH A1042 17.892 -8.237 27.770 1.00 38.20 O HETATM 3086 O HOH A1043 26.484 -3.859 28.632 1.00 25.50 O HETATM 3087 O HOH A1044 37.353 11.312 22.666 1.00 44.21 O HETATM 3088 O HOH A1045 14.362 1.078 7.887 1.00 50.41 O HETATM 3089 O HOH A1046 24.193 -13.388 22.190 1.00 26.90 O HETATM 3090 O HOH A1047 19.736 24.257 23.900 1.00 40.35 O HETATM 3091 O HOH A1048 31.093 -11.698 19.409 1.00 43.40 O HETATM 3092 O HOH A1049 28.794 -16.001 29.718 1.00 44.95 O HETATM 3093 O BHOH A1050 20.918 8.273 29.493 0.92 52.02 O HETATM 3094 O HOH A1051 34.056 -13.875 20.895 1.00 59.22 O HETATM 3095 O HOH A1052 23.267 -14.165 33.755 1.00 31.03 O HETATM 3096 O HOH A1053 15.173 -4.430 -6.542 1.00 68.89 O HETATM 3097 O HOH A1054 31.958 8.366 28.467 1.00 23.42 O HETATM 3098 O HOH A1055 14.583 4.277 23.547 1.00 30.42 O HETATM 3099 O HOH A1056 25.635 15.628 23.707 1.00 19.10 O HETATM 3100 O HOH A1057 30.404 -21.078 23.388 1.00 27.55 O HETATM 3101 O HOH A1058 26.255 20.734 31.917 1.00 29.72 O HETATM 3102 O HOH A1059 21.496 26.312 37.952 1.00 56.58 O HETATM 3103 O HOH A1060 31.639 -10.203 7.013 1.00 45.73 O HETATM 3104 O HOH A1061 16.957 27.510 32.511 1.00 59.46 O HETATM 3105 O HOH A1062 19.021 11.208 -2.563 1.00 37.44 O HETATM 3106 O HOH A1063 22.407 17.567 15.878 1.00 30.66 O HETATM 3107 O HOH A1064 29.671 -2.817 3.236 1.00 33.76 O HETATM 3108 O HOH A1065 30.926 6.881 -0.713 1.00 41.57 O HETATM 3109 O HOH A1066 24.018 -11.327 20.336 1.00 40.16 O HETATM 3110 O HOH A1067 29.938 -17.306 27.506 1.00 57.00 O HETATM 3111 O HOH A1068 36.980 13.140 14.716 1.00 46.91 O HETATM 3112 O HOH A1069 40.077 -7.353 18.616 1.00 34.67 O HETATM 3113 O HOH A1070 25.847 7.798 28.984 1.00 39.04 O HETATM 3114 O HOH A1071 13.000 6.318 14.118 1.00 35.89 O HETATM 3115 O HOH A1072 31.832 -4.247 33.459 1.00 46.71 O HETATM 3116 O HOH A1073 24.861 27.585 29.027 1.00 25.61 O HETATM 3117 O HOH A1074 22.831 -8.238 10.470 1.00 38.67 O HETATM 3118 O HOH A1075 42.111 1.767 14.660 1.00 41.41 O HETATM 3119 O HOH A1076 10.683 6.279 25.564 1.00 48.78 O HETATM 3120 O HOH A1077 32.752 6.143 5.225 1.00 41.18 O HETATM 3121 O HOH A1078 14.172 0.127 27.863 1.00 65.53 O HETATM 3122 O HOH A1079 16.810 7.995 11.342 1.00 31.06 O HETATM 3123 O HOH A1080 23.148 -13.106 17.968 1.00 66.08 O HETATM 3124 O HOH A1081 20.091 18.996 20.054 1.00 33.27 O HETATM 3125 O HOH A1082 15.774 12.413 12.181 1.00 37.93 O HETATM 3126 O HOH A1083 29.884 -11.849 15.766 1.00 39.76 O HETATM 3127 O HOH A1084 38.424 11.818 6.586 1.00109.30 O HETATM 3128 O BHOH A1085 21.048 11.140 28.557 0.62 27.66 O HETATM 3129 O HOH A1086 35.064 3.562 -3.050 1.00 73.51 O HETATM 3130 O HOH A1087 26.015 11.301 8.977 1.00 46.55 O HETATM 3131 O HOH A1088 20.010 -6.982 26.235 1.00 39.40 O HETATM 3132 O HOH A1089 34.144 4.143 9.205 1.00 22.37 O HETATM 3133 O HOH A1090 28.054 17.058 23.843 1.00 20.29 O HETATM 3134 O HOH A1091 16.119 -0.330 2.763 1.00 33.75 O HETATM 3135 O HOH A1092 24.530 -1.985 28.111 1.00 27.34 O HETATM 3136 O HOH A1093 33.587 -8.858 33.950 1.00 80.91 O HETATM 3137 O HOH A1094 17.613 -0.445 17.179 1.00 29.01 O HETATM 3138 O HOH A1095 19.019 -5.826 12.487 1.00 62.26 O HETATM 3139 O HOH A1096 12.805 5.357 19.719 1.00 47.66 O HETATM 3140 O HOH A1097 37.608 8.372 25.845 1.00 40.65 O HETATM 3141 O HOH A1098 14.689 1.705 23.364 1.00 44.23 O HETATM 3142 O HOH A1099 30.008 22.297 21.560 1.00 26.63 O HETATM 3143 O HOH A1100 27.380 -1.165 31.439 1.00 47.56 O HETATM 3144 O HOH A1101 39.800 -7.897 25.624 1.00 36.56 O HETATM 3145 O HOH A1102 22.986 8.633 -2.059 1.00 34.46 O HETATM 3146 O HOH A1103 20.089 11.538 12.252 1.00 31.98 O HETATM 3147 O HOH A1104 17.652 1.714 15.764 1.00 24.40 O HETATM 3148 O HOH A1105 37.527 7.974 23.070 1.00 32.62 O HETATM 3149 O HOH A1106 40.271 -0.163 10.150 1.00 32.14 O HETATM 3150 O HOH A1107 31.536 25.045 29.885 1.00 52.10 O HETATM 3151 O HOH A1108 11.496 20.748 26.265 1.00 29.64 O HETATM 3152 O HOH A1109 37.448 -2.895 30.337 1.00 40.58 O HETATM 3153 O HOH A1110 20.361 34.486 23.944 1.00 74.66 O HETATM 3154 O HOH A1111 28.752 11.095 -4.614 1.00 64.39 O HETATM 3155 O HOH A1112 16.609 3.991 30.396 1.00 54.54 O HETATM 3156 O HOH A1113 33.258 -12.346 7.243 1.00 60.43 O HETATM 3157 O HOH A1114 36.503 -3.281 9.135 1.00 28.57 O HETATM 3158 O HOH A1115 35.745 11.639 18.676 1.00 36.91 O HETATM 3159 O HOH A1116 31.938 16.537 29.074 1.00 24.01 O HETATM 3160 O HOH A1117 21.033 19.951 22.211 1.00 32.05 O HETATM 3161 O HOH A1118 24.316 17.401 19.118 1.00 20.72 O HETATM 3162 O HOH A1119 9.193 9.597 22.512 1.00 30.39 O HETATM 3163 O HOH A1120 20.656 3.072 28.649 1.00 49.54 O HETATM 3164 O HOH A1121 20.587 -0.504 29.427 1.00 41.33 O HETATM 3165 O HOH A1122 23.574 -7.859 29.933 1.00 43.57 O HETATM 3166 O HOH A1123 23.518 -10.325 23.701 1.00 77.07 O HETATM 3167 O HOH A1124 21.929 26.056 24.123 1.00 30.95 O HETATM 3168 O HOH A1125 26.891 -21.025 10.831 1.00 56.30 O HETATM 3169 O HOH A1126 23.595 18.614 35.835 1.00 58.40 O HETATM 3170 O HOH A1127 15.380 25.767 22.382 1.00 23.23 O HETATM 3171 O HOH A1128 21.434 -5.002 16.614 1.00 30.16 O HETATM 3172 O HOH A1129 44.075 3.381 15.410 1.00 50.61 O HETATM 3173 O HOH A1130 27.940 27.087 28.306 1.00 36.15 O HETATM 3174 O HOH A1131 26.977 -8.943 15.875 1.00 43.60 O HETATM 3175 O HOH A1132 20.064 -6.268 -5.344 1.00 62.94 O HETATM 3176 O HOH A1133 27.473 -15.141 4.189 1.00 64.56 O HETATM 3177 O HOH A1134 39.220 -8.639 12.737 1.00 33.76 O HETATM 3178 O HOH A1135 27.717 -11.193 33.243 1.00 51.45 O HETATM 3179 O HOH A1136 24.909 9.337 -3.752 1.00 46.00 O HETATM 3180 O HOH A1137 31.132 12.746 9.537 1.00 46.02 O HETATM 3181 O HOH A1138 25.512 23.181 34.319 1.00 45.76 O HETATM 3182 O HOH A1139 40.532 -0.045 12.853 1.00 28.95 O HETATM 3183 O HOH A1140 17.996 30.224 28.792 1.00 34.89 O HETATM 3184 O HOH A1141 34.685 21.824 16.761 1.00 51.83 O HETATM 3185 O HOH A1142 19.715 30.910 27.675 1.00105.62 O HETATM 3186 O HOH A1143 22.302 17.937 23.696 1.00 27.43 O HETATM 3187 O HOH A1144 20.578 -9.280 8.714 1.00 59.05 O HETATM 3188 O HOH A1145 26.930 -9.390 31.515 1.00 40.10 O HETATM 3189 O HOH A1146 24.196 -8.593 15.566 1.00 46.53 O HETATM 3190 O HOH A1147 32.068 -15.896 25.055 1.00 51.38 O HETATM 3191 O HOH A1148 25.421 15.640 20.931 1.00 20.11 O HETATM 3192 O HOH A1149 27.782 -11.330 1.424 1.00 54.17 O HETATM 3193 O HOH A1150 34.080 -12.038 27.575 1.00 29.01 O HETATM 3194 O HOH A1151 19.968 -6.405 23.426 1.00 29.77 O HETATM 3195 O HOH A1152 15.534 3.374 10.274 1.00 30.52 O HETATM 3196 O HOH A1153 30.499 21.850 32.724 1.00 47.83 O HETATM 3197 O HOH A1154 12.185 7.689 17.036 1.00 48.57 O HETATM 3198 O HOH A1155 24.443 7.295 9.006 1.00 28.18 O HETATM 3199 O HOH A1156 32.418 6.049 10.047 1.00 22.98 O HETATM 3200 O HOH A1157 28.973 -7.627 31.185 1.00 28.96 O HETATM 3201 O HOH A1158 15.369 -4.713 27.493 1.00 49.16 O HETATM 3202 O HOH A1159 21.160 -8.357 29.981 1.00 47.76 O HETATM 3203 O HOH A1160 42.396 -7.201 21.412 1.00 35.16 O HETATM 3204 O HOH A1161 45.189 -6.114 23.955 1.00 54.63 O HETATM 3205 O HOH A1162 13.479 5.858 11.915 1.00 49.99 O HETATM 3206 O HOH A1163 35.607 -20.292 19.675 1.00 57.37 O HETATM 3207 O HOH A1164 38.852 3.319 14.754 1.00 25.36 O HETATM 3208 O HOH A1165 28.748 -10.555 3.728 1.00 50.87 O HETATM 3209 O HOH A1166 15.750 28.185 28.238 1.00 33.68 O HETATM 3210 O HOH A1167 37.952 3.423 8.708 1.00 45.46 O HETATM 3211 O HOH A1168 26.936 18.825 30.207 1.00 24.61 O HETATM 3212 O HOH A1169 22.483 0.151 -6.430 1.00 52.54 O HETATM 3213 O HOH A1170 35.690 18.040 15.696 1.00 61.62 O HETATM 3214 O HOH A1171 39.870 4.895 25.958 1.00 49.72 O HETATM 3215 O HOH A1172 44.137 5.376 21.093 1.00 43.82 O HETATM 3216 O HOH A1173 24.324 9.089 30.458 1.00 45.33 O HETATM 3217 O HOH A1174 38.846 -9.570 15.422 1.00 50.05 O HETATM 3218 O HOH A1175 30.454 23.379 26.122 1.00 36.17 O HETATM 3219 O HOH A1176 17.314 -1.815 27.622 1.00 45.95 O HETATM 3220 O HOH A1177 12.708 -2.587 27.319 1.00 49.00 O HETATM 3221 O HOH A1178 28.471 -0.070 -4.803 1.00 58.75 O HETATM 3222 O HOH A1179 19.384 -8.252 -3.177 1.00 66.09 O HETATM 3223 O HOH A1180 9.285 7.994 3.106 1.00 62.33 O HETATM 3224 O HOH A1181 28.452 17.662 11.528 1.00 28.73 O HETATM 3225 O HOH A1182 25.488 -18.188 13.361 1.00 71.12 O HETATM 3226 O HOH A1183 25.737 2.821 30.245 1.00 47.12 O HETATM 3227 O HOH A1184 28.425 19.910 12.996 1.00 26.36 O HETATM 3228 O HOH A1185 31.512 18.132 31.339 1.00 31.92 O HETATM 3229 O HOH A1186 31.231 17.059 12.644 1.00 28.81 O HETATM 3230 O HOH A1187 25.221 -12.527 5.110 1.00 49.68 O HETATM 3231 O HOH A1188 23.987 10.347 1.172 1.00 33.72 O HETATM 3232 O HOH A1189 21.573 -13.539 14.785 1.00 60.61 O HETATM 3233 O HOH A1190 19.098 27.074 20.589 1.00 51.29 O HETATM 3234 O HOH A1191 33.840 -14.774 12.174 1.00 48.91 O HETATM 3235 O HOH A1192 37.699 12.122 28.018 1.00 74.97 O HETATM 3236 O HOH A1193 32.663 -16.856 22.686 1.00 57.23 O HETATM 3237 O HOH A1194 39.629 5.102 29.613 1.00 52.01 O HETATM 3238 O HOH A1195 21.136 17.104 12.923 1.00 52.07 O HETATM 3239 O HOH A1196 32.254 3.242 28.784 1.00 28.99 O HETATM 3240 O HOH A1197 32.099 -6.583 32.672 1.00 32.75 O HETATM 3241 O HOH A1198 40.671 4.159 21.539 1.00 30.57 O HETATM 3242 O HOH A1199 21.605 -9.274 24.215 1.00 75.74 O HETATM 3243 O HOH A1200 36.704 8.247 28.839 1.00 84.17 O HETATM 3244 O HOH A1201 21.949 5.964 32.446 1.00 57.48 O HETATM 3245 O HOH A1202 24.006 15.703 10.180 1.00 40.39 O HETATM 3246 O HOH A1203 30.582 -13.951 29.999 1.00 42.21 O HETATM 3247 O HOH A1204 26.512 5.417 30.667 1.00 45.94 O HETATM 3248 O HOH A1205 19.909 9.366 10.231 1.00 31.85 O HETATM 3249 O HOH A1206 16.512 22.505 35.243 1.00 56.63 O HETATM 3250 O HOH A1207 28.737 -10.266 13.965 1.00 43.22 O HETATM 3251 O HOH A1208 25.450 29.655 33.380 1.00 47.02 O HETATM 3252 O HOH A1209 37.788 -8.321 31.634 1.00 51.10 O HETATM 3253 O HOH A1210 5.722 19.274 30.214 1.00 44.09 O HETATM 3254 O HOH A1211 36.657 -12.743 22.830 1.00 57.08 O HETATM 3255 O HOH A1212 33.279 15.399 12.252 1.00 47.69 O HETATM 3256 O HOH A1213 22.653 22.498 20.680 1.00 37.74 O HETATM 3257 O HOH A1214 34.685 2.560 29.860 1.00 47.57 O HETATM 3258 O HOH A1215 17.635 -3.027 -7.413 1.00 58.72 O HETATM 3259 O HOH A1216 22.399 20.211 16.672 1.00 54.03 O HETATM 3260 O HOH A1217 35.711 18.930 18.443 1.00 66.44 O HETATM 3261 O HOH A1218 20.124 -8.766 22.130 1.00 42.52 O HETATM 3262 O HOH A1219 35.254 0.994 -4.180 1.00 79.53 O HETATM 3263 O HOH A1220 28.384 17.702 34.809 1.00 52.55 O HETATM 3264 O HOH A1221 20.827 28.327 22.983 1.00 35.96 O HETATM 3265 O HOH A1222 18.068 -1.122 11.664 1.00 41.59 O HETATM 3266 O HOH A1223 10.528 21.285 30.521 1.00 44.05 O HETATM 3267 O HOH A1224 29.973 9.994 34.251 1.00 55.55 O HETATM 3268 O HOH A1225 30.877 -3.284 -12.807 1.00 55.42 O HETATM 3269 O HOH A1226 23.038 -11.767 3.315 1.00 61.30 O HETATM 3270 O HOH A1227 29.291 -0.494 -8.469 1.00 75.23 O HETATM 3271 O HOH A1228 40.588 3.217 23.714 1.00 42.13 O HETATM 3272 O HOH A1229 15.257 27.366 30.622 1.00 46.16 O HETATM 3273 O HOH A1230 34.314 23.139 26.111 1.00 52.84 O HETATM 3274 O HOH A1231 17.935 24.898 35.585 1.00 55.08 O HETATM 3275 O HOH A1232 23.165 -10.216 12.176 1.00 54.96 O HETATM 3276 O HOH A1233 33.846 4.888 2.932 1.00 51.25 O HETATM 3277 O HOH A1234 24.019 -12.329 -4.560 1.00 71.42 O HETATM 3278 O HOH A1235 21.630 -13.111 36.137 1.00 58.45 O HETATM 3279 O HOH A1236 21.249 -9.564 6.074 1.00 47.14 O HETATM 3280 O HOH A1237 14.640 2.037 12.374 1.00 42.91 O HETATM 3281 O HOH A1238 25.236 -0.806 -5.111 1.00 57.14 O HETATM 3282 O HOH A1239 33.225 9.105 4.488 1.00 53.99 O HETATM 3283 O HOH A1240 31.297 11.165 31.799 1.00 37.37 O HETATM 3284 O HOH A1241 18.282 13.958 34.483 1.00 51.39 O HETATM 3285 O HOH A1242 17.854 28.553 27.838 1.00102.52 O HETATM 3286 O HOH A1243 34.408 5.922 31.168 1.00 49.33 O HETATM 3287 O HOH A1244 31.545 13.898 31.807 1.00 37.19 O HETATM 3288 O HOH A1245 28.726 13.544 8.811 1.00 56.10 O HETATM 3289 O HOH A1246 27.501 -5.287 31.350 1.00 49.16 O HETATM 3290 O HOH A1247 33.464 1.702 31.326 1.00 65.51 O HETATM 3291 O HOH A1248 31.570 -4.500 0.788 1.00 66.44 O HETATM 3292 O HOH A1249 17.819 -10.856 -0.684 1.00 64.73 O HETATM 3293 O HOH A1250 22.609 10.746 3.609 1.00 42.86 O HETATM 3294 O HOH A1251 24.019 5.315 31.930 1.00 67.39 O HETATM 3295 O HOH A1252 39.956 10.258 26.024 1.00 52.30 O HETATM 3296 O HOH A1253 34.824 20.408 14.957 1.00 51.11 O HETATM 3297 O HOH A1254 29.922 9.723 29.922 1.00 28.14 O HETATM 3298 O HOH A1255 20.996 31.087 19.614 1.00 45.52 O HETATM 3299 O HOH A1256 34.237 9.820 28.267 1.00 36.48 O HETATM 3300 O HOH A1257 13.521 3.369 14.607 1.00 39.41 O HETATM 3301 O HOH A1258 33.838 -14.583 26.541 1.00 43.83 O HETATM 3302 O HOH A1259 33.799 -12.508 18.819 1.00 55.19 O HETATM 3303 O HOH A1260 31.982 -17.919 25.929 1.00 61.32 O HETATM 3304 O HOH A1261 24.265 -0.836 30.582 1.00 55.11 O HETATM 3305 O HOH A1262 44.656 5.404 23.374 1.00 53.95 O HETATM 3306 O HOH A1263 37.310 -0.992 -12.170 1.00 44.76 O HETATM 3307 O HOH A1264 28.829 17.651 31.732 1.00 31.98 O HETATM 3308 O HOH A1265 18.552 -6.759 30.086 1.00 59.03 O HETATM 3309 O HOH A1266 22.605 -8.440 13.376 1.00 56.90 O HETATM 3310 O HOH A1267 43.459 -8.422 19.189 1.00 59.78 O HETATM 3311 O HOH A1268 10.478 13.385 30.826 1.00 65.03 O HETATM 3312 O HOH A1269 31.362 6.817 7.577 1.00 30.20 O HETATM 3313 O HOH A1270 36.869 15.576 21.548 1.00 54.96 O HETATM 3314 O HOH A1271 32.873 9.495 7.283 1.00 41.59 O HETATM 3315 O HOH A1272 37.506 13.150 20.177 1.00 54.40 O HETATM 3316 O HOH A1273 30.735 25.876 27.102 1.00 43.04 O HETATM 3317 O HOH A1274 28.137 8.006 30.984 1.00 39.85 O HETATM 3318 O HOH A1275 22.634 22.870 17.927 1.00 69.68 O HETATM 3319 O HOH A1276 22.018 -15.009 21.836 1.00 39.64 O HETATM 3320 O HOH A1277 23.748 12.075 5.466 1.00 53.62 O HETATM 3321 O HOH A1278 23.029 2.592 30.839 1.00 66.71 O HETATM 3322 O HOH A1279 20.678 -12.840 4.333 1.00 83.49 O HETATM 3323 O HOH A1280 35.653 22.128 23.651 1.00 57.66 O HETATM 3324 O HOH A1281 24.579 20.834 10.492 1.00 56.45 O HETATM 3325 O HOH A1282 13.058 5.927 21.874 1.00 53.24 O HETATM 3326 O HOH A1283 14.248 35.190 30.780 1.00 68.67 O HETATM 3327 O HOH A1284 33.023 -14.773 29.727 1.00 53.38 O HETATM 3328 O HOH A1285 18.219 11.651 4.472 1.00 56.55 O HETATM 3329 O HOH A1286 12.934 8.645 30.972 1.00 52.83 O HETATM 3330 O HOH A1287 34.433 20.239 20.531 1.00 37.39 O HETATM 3331 O HOH A1288 36.928 18.833 23.570 1.00 49.54 O HETATM 3332 O HOH A1289 15.100 0.103 30.626 1.00 65.12 O HETATM 3333 O HOH A1290 32.823 -19.986 23.315 1.00 48.63 O HETATM 3334 O HOH A1291 35.250 15.869 13.441 1.00 60.13 O HETATM 3335 O HOH A1292 31.269 14.722 34.401 1.00 72.27 O HETATM 3336 O HOH A1293 13.877 0.945 17.790 1.00 59.59 O HETATM 3337 O HOH A1294 33.958 23.718 21.470 1.00 50.78 O HETATM 3338 O HOH A1295 16.136 10.224 10.565 1.00 44.11 O HETATM 3339 O HOH A1296 40.824 -8.079 28.230 1.00 54.40 O HETATM 3340 O HOH A1297 33.893 14.858 30.001 1.00 27.08 O HETATM 3341 O HOH A1298 23.243 11.074 8.452 1.00 43.52 O HETATM 3342 O HOH A1299 20.653 -2.648 -7.607 1.00 59.94 O HETATM 3343 O HOH A1300 22.025 8.880 8.466 1.00 34.98 O HETATM 3344 O HOH A1301 22.214 12.976 10.462 1.00 47.56 O HETATM 3345 O HOH A1302 25.336 -5.573 30.393 1.00 36.72 O HETATM 3346 O HOH A1303 40.169 6.869 22.223 1.00 43.10 O HETATM 3347 O HOH A1304 24.439 11.073 -5.769 1.00 65.13 O HETATM 3348 O HOH A1305 31.813 5.905 29.860 1.00 29.35 O HETATM 3349 O HOH A1306 16.451 0.308 13.498 1.00 32.92 O HETATM 3350 O HOH A1307 34.912 12.313 29.286 1.00 38.15 O HETATM 3351 O HOH A1308 35.967 -12.240 29.885 1.00 44.07 O HETATM 3352 O HOH A1309 29.945 5.665 31.351 1.00 44.16 O HETATM 3353 O HOH A1310 33.028 17.521 33.582 1.00 50.22 O HETATM 3354 O HOH A1311 19.917 -15.398 2.906 1.00 73.79 O HETATM 3355 O HOH A1312 9.603 11.367 33.504 1.00 72.51 O HETATM 3356 O HOH A1313 14.460 7.268 32.849 1.00 60.10 O HETATM 3357 O HOH B1001 11.427 29.459 26.683 1.00117.42 O HETATM 3358 O HOH B1002 -13.013 14.029 10.649 1.00 35.27 O HETATM 3359 O HOH B1003 -15.666 5.743 13.187 1.00 67.97 O HETATM 3360 O HOH B1004 -3.041 17.732 30.232 1.00 57.37 O HETATM 3361 O HOH B1005 16.386 26.352 10.432 1.00 50.78 O HETATM 3362 O HOH B1006 -14.480 15.751 22.770 1.00 73.38 O HETATM 3363 O HOH B1007 -5.941 18.203 2.673 1.00 68.17 O HETATM 3364 O HOH B1008 19.331 20.063 17.013 1.00 49.29 O HETATM 3365 O HOH B1009 -9.283 6.080 15.433 1.00 61.03 O HETATM 3366 O HOH B1010 3.486 13.066 9.315 1.00 43.00 O HETATM 3367 O HOH B1011 -6.478 34.440 24.966 1.00 51.23 O HETATM 3368 O HOH B1012 -8.316 40.459 38.689 1.00 67.23 O HETATM 3369 O HOH B1013 -13.622 21.125 5.129 1.00 59.38 O HETATM 3370 O HOH B1014 3.756 17.973 28.457 1.00 36.55 O HETATM 3371 O HOH B1015 -4.132 7.471 13.839 1.00 52.76 O HETATM 3372 O HOH B1016 -9.971 7.824 21.685 1.00 49.92 O HETATM 3373 O HOH B1017 -9.849 32.995 11.509 1.00 53.44 O HETATM 3374 O HOH B1018 -12.529 33.436 25.225 1.00 81.97 O HETATM 3375 O HOH B1019 14.450 37.246 20.746 1.00 53.85 O HETATM 3376 O HOH B1020 13.881 29.685 26.669 1.00 33.15 O HETATM 3377 O HOH B1021 6.083 23.986 3.480 1.00 57.34 O HETATM 3378 O HOH B1022 -13.683 30.653 38.563 1.00 47.32 O HETATM 3379 O HOH B1023 -5.498 35.018 19.076 1.00 50.43 O HETATM 3380 O HOH B1024 10.184 38.151 30.843 1.00 50.85 O HETATM 3381 O HOH B1025 -7.868 8.454 4.352 1.00 69.69 O HETATM 3382 O HOH B1026 3.506 18.905 25.941 1.00 28.28 O HETATM 3383 O HOH B1027 3.127 24.788 32.727 1.00 33.91 O HETATM 3384 O HOH B1028 13.361 38.378 27.021 1.00 40.24 O HETATM 3385 O HOH B1029 -12.955 29.147 39.720 1.00 54.24 O HETATM 3386 O HOH B1030 -6.382 28.129 6.166 1.00 51.75 O HETATM 3387 O HOH B1031 -10.275 31.550 18.137 1.00 32.43 O HETATM 3388 O HOH B1032 13.831 25.736 2.892 1.00 56.57 O HETATM 3389 O HOH B1033 -19.549 21.676 1.812 1.00 70.99 O HETATM 3390 O HOH B1034 1.603 9.092 21.865 1.00 54.22 O HETATM 3391 O HOH B1035 -19.348 30.148 12.526 1.00 42.28 O HETATM 3392 O HOH B1036 -15.947 25.778 26.653 1.00 39.24 O HETATM 3393 O HOH B1037 -12.083 22.252 22.788 1.00 34.55 O HETATM 3394 O HOH B1038 -1.919 11.698 27.094 1.00 54.06 O HETATM 3395 O HOH B1039 -0.262 18.908 35.789 1.00 36.55 O HETATM 3396 O HOH B1040 -15.612 29.764 17.988 1.00 50.36 O HETATM 3397 O HOH B1041 -7.958 22.506 37.003 1.00 32.46 O HETATM 3398 O HOH B1042 -14.391 15.884 19.336 1.00 35.76 O HETATM 3399 O HOH B1043 -13.981 31.051 15.319 1.00 46.14 O HETATM 3400 O HOH B1044 -11.800 30.871 11.315 1.00 38.98 O HETATM 3401 O HOH B1045 1.579 26.445 3.274 1.00 53.27 O HETATM 3402 O HOH B1046 -16.927 16.115 15.668 1.00 36.82 O HETATM 3403 O HOH B1047 11.261 23.687 28.392 1.00 38.12 O HETATM 3404 O HOH B1048 15.166 24.018 16.408 1.00 39.43 O HETATM 3405 O HOH B1049 0.660 12.897 9.708 1.00 32.15 O HETATM 3406 O HOH B1050 -8.657 42.383 41.170 1.00103.47 O HETATM 3407 O HOH B1051 15.319 24.543 9.301 1.00 38.67 O HETATM 3408 O HOH B1052 7.881 15.110 5.082 1.00 57.56 O HETATM 3409 O HOH B1053 -0.120 11.867 16.713 1.00 44.16 O HETATM 3410 O HOH B1054 3.632 20.083 32.826 1.00 43.21 O HETATM 3411 O HOH B1055 10.387 31.754 28.377 1.00 28.64 O HETATM 3412 O HOH B1056 7.397 23.676 29.471 1.00 41.33 O HETATM 3413 O HOH B1057 7.482 22.703 27.172 1.00 25.12 O HETATM 3414 O HOH B1058 14.900 33.844 27.034 1.00 38.54 O HETATM 3415 O HOH B1059 -15.894 32.004 9.212 1.00 60.33 O HETATM 3416 O HOH B1060 -4.217 10.598 23.277 1.00 39.02 O HETATM 3417 O HOH B1061 -2.533 19.941 28.642 1.00 23.46 O HETATM 3418 O HOH B1062 -10.257 11.009 1.221 1.00 65.70 O HETATM 3419 O HOH B1063 0.792 11.518 27.524 1.00 37.01 O HETATM 3420 O HOH B1064 11.020 17.993 22.173 1.00 26.10 O HETATM 3421 O HOH B1065 -5.576 20.270 5.905 1.00 44.10 O HETATM 3422 O HOH B1066 -12.407 26.949 23.725 1.00 37.27 O HETATM 3423 O HOH B1067 -0.910 16.485 6.725 1.00 28.08 O HETATM 3424 O HOH B1068 -0.469 33.946 17.774 1.00 48.11 O HETATM 3425 O HOH B1069 -10.692 14.864 11.541 1.00 28.29 O HETATM 3426 O HOH B1070 8.505 34.049 31.187 1.00 50.55 O HETATM 3427 O HOH B1071 -12.871 14.764 16.117 1.00 27.10 O HETATM 3428 O HOH B1072 -21.579 13.359 11.879 1.00 50.29 O HETATM 3429 O HOH B1073 -10.587 35.766 30.853 1.00 54.97 O HETATM 3430 O HOH B1074 7.072 14.671 9.271 1.00 45.58 O HETATM 3431 O HOH B1075 -7.782 31.101 19.103 1.00 25.33 O HETATM 3432 O HOH B1076 0.008 28.998 6.692 1.00 38.86 O HETATM 3433 O HOH B1077 15.469 29.668 19.610 1.00 55.18 O HETATM 3434 O HOH B1078 11.508 13.135 19.604 1.00 34.32 O HETATM 3435 O HOH B1079 8.154 39.786 29.476 1.00 72.70 O HETATM 3436 O HOH B1080 10.490 11.589 13.869 1.00 50.24 O HETATM 3437 O HOH B1081 5.296 37.016 13.714 1.00 52.73 O HETATM 3438 O HOH B1082 -4.776 14.279 25.257 1.00 33.84 O HETATM 3439 O HOH B1083 11.025 18.278 25.113 1.00 28.68 O HETATM 3440 O HOH B1084 12.973 30.177 19.430 1.00 49.84 O HETATM 3441 O HOH B1085 -7.805 36.913 30.481 1.00 49.49 O HETATM 3442 O HOH B1086 13.353 31.187 7.023 1.00 57.31 O HETATM 3443 O HOH B1087 -6.423 32.737 17.511 1.00 29.02 O HETATM 3444 O HOH B1088 -11.344 33.609 29.255 1.00 59.98 O HETATM 3445 O HOH B1089 9.890 22.972 26.014 1.00 24.15 O HETATM 3446 O HOH B1090 -24.640 20.235 8.874 1.00 32.00 O HETATM 3447 O HOH B1091 -7.442 18.341 26.164 1.00 42.83 O HETATM 3448 O HOH B1092 -11.361 13.964 -2.611 1.00 48.32 O HETATM 3449 O HOH B1093 -18.793 30.140 20.040 1.00 69.57 O HETATM 3450 O HOH B1094 3.011 36.316 21.982 1.00 57.81 O HETATM 3451 O HOH B1095 -14.698 4.321 9.835 1.00 70.55 O HETATM 3452 O HOH B1096 3.669 13.482 11.967 1.00 37.03 O HETATM 3453 O HOH B1097 -8.104 33.691 32.027 1.00 28.65 O HETATM 3454 O HOH B1098 12.338 43.345 23.265 1.00 56.66 O HETATM 3455 O HOH B1099 -1.044 37.582 38.884 1.00 61.61 O HETATM 3456 O HOH B1100 -10.145 1.844 9.458 1.00 77.45 O HETATM 3457 O HOH B1101 4.024 27.237 31.687 1.00 26.77 O HETATM 3458 O HOH B1102 -2.327 5.229 9.840 1.00 66.35 O HETATM 3459 O HOH B1103 -14.693 15.886 12.194 1.00 37.20 O HETATM 3460 O HOH B1104 8.288 9.374 17.584 1.00 54.09 O HETATM 3461 O HOH B1105 -11.459 21.019 6.548 1.00 44.27 O HETATM 3462 O HOH B1106 2.709 29.169 6.297 1.00 34.33 O HETATM 3463 O HOH B1107 -20.411 9.422 11.834 1.00 52.35 O HETATM 3464 O HOH B1108 7.851 19.646 4.997 1.00 57.45 O HETATM 3465 O HOH B1109 -21.831 14.449 3.521 1.00 65.74 O HETATM 3466 O HOH B1110 -16.400 24.260 22.855 1.00 37.39 O HETATM 3467 O HOH B1111 17.627 39.980 26.370 1.00 32.11 O HETATM 3468 O HOH B1112 10.698 15.576 5.414 1.00 71.09 O HETATM 3469 O HOH B1113 -0.115 35.971 8.269 1.00 64.33 O HETATM 3470 O HOH B1114 -26.927 17.731 7.068 1.00 37.23 O HETATM 3471 O HOH B1115 -10.622 15.108 14.259 1.00 25.95 O HETATM 3472 O HOH B1116 6.607 37.521 29.962 1.00 42.01 O HETATM 3473 O HOH B1117 0.973 18.424 25.104 1.00 21.86 O HETATM 3474 O HOH B1118 -14.731 10.077 20.862 1.00 49.36 O HETATM 3475 O HOH B1119 2.218 11.224 13.837 1.00 46.12 O HETATM 3476 O HOH B1120 -14.234 30.795 20.378 1.00 38.38 O HETATM 3477 O HOH B1121 -1.467 34.751 21.060 1.00 55.25 O HETATM 3478 O HOH B1122 -6.056 30.601 40.969 1.00 45.62 O HETATM 3479 O HOH B1123 2.400 20.177 6.202 1.00 38.61 O HETATM 3480 O HOH B1124 -0.713 35.563 11.110 1.00 43.84 O HETATM 3481 O HOH B1125 -6.089 22.351 26.015 1.00 27.10 O HETATM 3482 O HOH B1126 -9.477 12.042 23.480 1.00 33.81 O HETATM 3483 O HOH B1127 -0.262 9.985 20.828 1.00 40.62 O HETATM 3484 O HOH B1128 11.223 15.562 20.542 1.00 37.97 O HETATM 3485 O HOH B1129 -10.770 31.216 24.626 1.00 29.15 O HETATM 3486 O HOH B1130 7.591 16.498 20.387 1.00 25.36 O HETATM 3487 O HOH B1131 -23.199 14.892 6.926 1.00 58.14 O HETATM 3488 O HOH B1132 1.367 41.153 32.433 1.00 64.78 O HETATM 3489 O HOH B1133 -7.108 20.366 38.719 1.00 37.49 O HETATM 3490 O HOH B1134 -11.006 10.322 22.109 1.00 30.77 O HETATM 3491 O HOH B1135 -13.698 30.557 23.061 1.00 53.78 O HETATM 3492 O HOH B1136 8.237 27.857 2.326 1.00 43.59 O HETATM 3493 O HOH B1137 -9.412 12.132 11.574 1.00 26.72 O HETATM 3494 O HOH B1138 17.014 22.423 13.771 1.00 34.37 O HETATM 3495 O HOH B1139 -9.709 23.093 5.804 1.00 52.23 O HETATM 3496 O HOH B1140 2.210 35.869 24.259 1.00 43.35 O HETATM 3497 O HOH B1141 -13.392 5.954 20.768 1.00 89.02 O HETATM 3498 O HOH B1142 -3.591 21.922 4.537 1.00 52.32 O HETATM 3499 O HOH B1143 8.875 28.853 41.069 1.00 65.38 O HETATM 3500 O HOH B1144 11.291 39.828 28.824 1.00 50.42 O HETATM 3501 O HOH B1145 -25.328 16.262 3.503 1.00 52.29 O HETATM 3502 O HOH B1146 12.177 15.563 7.740 1.00 74.58 O HETATM 3503 O HOH B1147 -6.309 9.892 6.371 1.00 37.09 O HETATM 3504 O HOH B1148 -14.999 17.872 22.580 1.00 64.08 O HETATM 3505 O HOH B1149 1.465 18.250 29.750 1.00 31.96 O HETATM 3506 O HOH B1150 -16.567 24.362 35.027 1.00 63.38 O HETATM 3507 O HOH B1151 18.060 41.793 16.378 1.00 47.82 O HETATM 3508 O HOH B1152 -11.024 23.870 24.740 1.00 30.77 O HETATM 3509 O HOH B1153 -17.037 14.925 13.419 1.00 35.29 O HETATM 3510 O HOH B1154 -8.618 4.050 10.475 1.00 72.72 O HETATM 3511 O HOH B1155 -2.224 24.967 4.672 1.00 49.22 O HETATM 3512 O HOH B1156 6.802 32.932 37.383 1.00 50.25 O HETATM 3513 O HOH B1157 10.043 21.608 4.529 1.00 44.79 O HETATM 3514 O HOH B1158 4.672 39.422 38.892 1.00 73.71 O HETATM 3515 O HOH B1159 17.507 36.027 21.082 1.00 50.51 O HETATM 3516 O HOH B1160 -20.939 24.573 27.785 1.00 51.17 O HETATM 3517 O HOH B1161 -18.130 30.441 32.690 1.00 50.05 O HETATM 3518 O HOH B1162 11.238 28.599 0.960 1.00 59.77 O HETATM 3519 O HOH B1163 7.577 35.165 33.104 1.00 54.89 O HETATM 3520 O HOH B1164 -6.964 10.626 22.710 1.00 27.18 O HETATM 3521 O HOH B1165 -8.098 20.366 33.904 1.00 32.12 O HETATM 3522 O HOH B1166 10.157 29.164 28.908 1.00 29.28 O HETATM 3523 O HOH B1167 6.328 30.523 3.557 1.00 44.95 O HETATM 3524 O HOH B1168 -10.339 33.859 26.945 1.00 45.62 O HETATM 3525 O HOH B1169 6.457 28.434 34.655 1.00 41.55 O HETATM 3526 O HOH B1170 8.515 14.628 13.563 1.00 26.65 O HETATM 3527 O HOH B1171 -27.928 25.556 5.138 1.00 57.98 O HETATM 3528 O HOH B1172 -3.763 10.255 5.358 1.00 43.81 O HETATM 3529 O HOH B1173 0.405 36.741 41.558 1.00 56.37 O HETATM 3530 O HOH B1174 -6.301 37.744 28.071 1.00 54.95 O HETATM 3531 O HOH B1175 0.172 9.292 15.512 1.00 47.51 O HETATM 3532 O HOH B1176 -11.808 16.365 24.938 1.00 41.90 O HETATM 3533 O HOH B1177 -4.533 30.721 6.100 1.00 48.27 O HETATM 3534 O HOH B1178 -25.458 20.454 3.881 1.00 39.95 O HETATM 3535 O HOH B1179 19.344 18.252 10.653 1.00 66.12 O HETATM 3536 O HOH B1180 2.454 37.782 41.359 1.00 67.46 O HETATM 3537 O HOH B1181 1.012 28.293 47.322 1.00 52.19 O HETATM 3538 O HOH B1182 -20.311 28.952 31.477 1.00 56.77 O HETATM 3539 O HOH B1183 -4.570 36.650 24.489 1.00 47.50 O HETATM 3540 O HOH B1184 7.728 21.886 3.029 1.00 48.91 O HETATM 3541 O HOH B1185 10.427 28.973 31.067 1.00 61.67 O HETATM 3542 O HOH B1186 1.348 19.031 38.408 1.00 67.25 O HETATM 3543 O HOH B1187 0.994 39.983 30.163 1.00 75.19 O HETATM 3544 O HOH B1188 4.690 38.663 31.711 1.00 66.73 O HETATM 3545 O HOH B1189 -17.191 12.596 15.163 1.00 63.18 O HETATM 3546 O HOH B1190 2.508 16.639 4.175 1.00 62.88 O HETATM 3547 O HOH B1191 8.972 13.733 29.121 1.00 52.13 O HETATM 3548 O HOH B1192 1.654 37.624 28.836 1.00 40.25 O HETATM 3549 O HOH B1193 9.152 15.460 11.697 1.00 50.47 O HETATM 3550 O HOH B1194 0.998 35.147 20.005 1.00 80.95 O HETATM 3551 O HOH B1195 -21.017 12.878 5.802 1.00 49.80 O HETATM 3552 O HOH B1196 -11.081 7.308 14.089 1.00 39.62 O HETATM 3553 O HOH B1197 -1.410 36.142 14.608 1.00 66.32 O HETATM 3554 O HOH B1198 -7.984 40.151 36.120 1.00 62.64 O HETATM 3555 O HOH B1199 -10.209 32.757 22.661 1.00 41.94 O HETATM 3556 O HOH B1200 3.072 10.931 16.601 1.00 57.90 O HETATM 3557 O HOH B1201 -0.830 6.357 7.555 1.00 62.46 O HETATM 3558 O HOH B1202 8.556 30.944 36.542 1.00 62.99 O HETATM 3559 O HOH B1203 -7.821 19.977 4.114 1.00 54.79 O HETATM 3560 O HOH B1204 0.768 31.908 46.607 1.00 53.65 O HETATM 3561 O HOH B1205 -5.024 26.184 4.411 1.00 65.77 O HETATM 3562 O HOH B1206 -12.488 31.436 8.541 1.00 56.15 O HETATM 3563 O HOH B1207 -19.902 12.526 -1.875 1.00 57.95 O HETATM 3564 O HOH B1208 -9.461 20.785 31.359 1.00 35.12 O HETATM 3565 O HOH B1209 -11.876 32.354 20.165 1.00 40.84 O HETATM 3566 O HOH B1210 -3.293 16.553 5.341 1.00 37.68 O HETATM 3567 O HOH B1211 1.120 37.657 26.329 1.00 55.93 O HETATM 3568 O HOH B1212 0.595 35.733 0.198 1.00 87.48 O HETATM 3569 O HOH B1213 -4.301 9.044 25.415 1.00 52.70 O HETATM 3570 O HOH B1214 -4.317 39.175 29.530 1.00 52.91 O HETATM 3571 O HOH B1215 -3.053 14.723 27.391 1.00 57.82 O HETATM 3572 O HOH B1216 -15.837 13.762 18.533 1.00 50.65 O HETATM 3573 O HOH B1217 -3.401 13.955 3.986 1.00 49.70 O HETATM 3574 O HOH B1218 8.650 30.234 33.180 1.00 54.64 O HETATM 3575 O HOH B1219 -17.476 29.102 25.754 1.00 64.18 O HETATM 3576 O HOH B1220 -4.798 16.351 29.203 1.00 54.86 O HETATM 3577 O HOH B1221 -13.543 10.083 23.319 1.00 68.60 O HETATM 3578 O HOH B1222 -2.025 8.629 27.089 1.00 60.15 O HETATM 3579 O HOH B1223 -1.630 40.485 29.939 1.00 59.44 O HETATM 3580 O HOH B1224 -4.772 6.406 18.223 1.00 61.93 O HETATM 3581 O HOH B1225 14.954 36.406 28.195 1.00 41.45 O HETATM 3582 O HOH B1226 -0.916 15.834 27.796 1.00 44.65 O HETATM 3583 O HOH B1227 -14.239 33.822 23.718 1.00 50.95 O HETATM 3584 O HOH B1228 -0.421 18.461 27.540 1.00 26.07 O HETATM 3585 O HOH B1229 -5.489 14.310 31.211 1.00 69.68 O HETATM 3586 O HOH B1230 -2.385 36.567 22.803 1.00 52.42 O HETATM 3587 O HOH B1231 -10.058 20.982 35.666 1.00 36.71 O HETATM 3588 O HOH B1232 -0.305 13.521 6.990 1.00 52.57 O HETATM 3589 O HOH B1233 -3.698 19.030 4.254 1.00 53.58 O HETATM 3590 O HOH B1234 -14.179 30.807 12.996 1.00 50.63 O HETATM 3591 O HOH B1235 -5.700 33.105 23.168 1.00 42.29 O HETATM 3592 O HOH B1236 -1.763 39.830 41.133 1.00 61.13 O HETATM 3593 O HOH B1237 6.532 39.546 33.800 1.00 66.78 O HETATM 3594 O HOH B1238 3.440 30.393 3.964 1.00 47.47 O HETATM 3595 O HOH B1239 -22.743 11.227 1.146 1.00 63.94 O HETATM 3596 O HOH B1240 13.032 32.015 28.010 1.00 30.38 O HETATM 3597 O HOH B1241 -16.910 31.449 15.917 1.00 65.30 O HETATM 3598 O HOH B1242 -20.925 6.386 17.515 1.00 80.88 O HETATM 3599 O HOH B1243 -10.139 21.742 3.965 1.00 68.78 O HETATM 3600 O HOH B1244 -9.289 20.334 26.524 1.00 48.03 O HETATM 3601 O HOH B1245 -4.162 28.639 4.725 1.00 62.76 O HETATM 3602 O HOH B1246 17.975 31.268 19.129 1.00 83.07 O HETATM 3603 O HOH B1247 -7.633 8.034 22.758 1.00 44.90 O HETATM 3604 O HOH B1248 4.568 10.561 8.739 1.00 63.65 O HETATM 3605 O HOH B1249 6.202 12.923 12.857 1.00 55.28 O HETATM 3606 O HOH B1250 -8.937 22.854 26.566 1.00 28.16 O HETATM 3607 O HOH B1251 16.511 26.858 20.219 1.00 45.08 O HETATM 3608 O HOH B1252 -7.721 32.831 21.357 1.00 36.09 O HETATM 3609 O HOH B1253 -1.485 20.332 3.840 1.00 51.03 O HETATM 3610 O HOH B1254 -2.892 8.863 21.612 1.00 56.40 O HETATM 3611 O HOH B1255 -10.079 34.198 16.978 1.00 51.13 O HETATM 3612 O HOH B1256 -11.549 19.629 24.418 1.00 45.05 O HETATM 3613 O HOH B1257 0.535 18.360 5.301 1.00 36.67 O HETATM 3614 O HOH B1258 14.560 45.289 21.273 1.00 53.51 O HETATM 3615 O HOH B1259 7.595 35.284 38.716 1.00 64.11 O HETATM 3616 O HOH B1260 9.343 36.262 36.612 1.00 78.90 O HETATM 3617 O HOH B1261 -4.898 6.710 20.832 1.00 57.63 O HETATM 3618 O HOH B1262 19.635 12.571 7.481 1.00 58.49 O HETATM 3619 O HOH B1263 -12.680 35.450 19.766 1.00 78.80 O HETATM 3620 O HOH B1264 -11.014 35.309 14.086 1.00 71.05 O HETATM 3621 O HOH B1265 -13.168 21.621 27.480 1.00 55.82 O HETATM 3622 O HOH B1266 -8.158 7.474 25.639 1.00 85.61 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 437 3021 CONECT 454 3021 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3021 437 454 CONECT 3022 3023 3027 CONECT 3023 3022 3024 CONECT 3024 3023 3025 CONECT 3025 3024 3026 3028 CONECT 3026 3025 3027 CONECT 3027 3022 3026 CONECT 3028 3025 3029 CONECT 3029 3028 3030 CONECT 3030 3029 3031 3032 3033 CONECT 3031 3030 CONECT 3032 3030 CONECT 3033 3030 CONECT 3034 3035 3036 CONECT 3035 3034 CONECT 3036 3034 3037 CONECT 3037 3036 CONECT 3038 1578 1600 1743 1771 CONECT 3039 1680 1701 1881 1906 CONECT 3040 3041 3042 CONECT 3041 3040 CONECT 3042 3040 3043 CONECT 3043 3042 END