USER MOD reduce.3.24.130724 H: found=0, std=0, add=2229, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 16-JUN-15 5C2O TITLE CRYSTAL STRUCTURE OF STREPTOCOCCUS MUTANS DEOXYCYTIDYLATE DEAMINASE TITLE 2 COMPLEXED WITH DTTP COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE DEOXYCYTIDYLATE DEAMINASE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; SOURCE 3 ORGANISM_TAXID: 210007; SOURCE 4 STRAIN: ATCC 700610 / UA159; SOURCE 5 GENE: COMEB, SMU_1849; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS DCMP DEAMINASE, INHIBITOR, ALLOSTERIC REGULATION, ENZYME COMPLEX, KEYWDS 2 HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR Y.H.LI,Z.Q.GAO,H.F.HOU,Y.H.DONG REVDAT 1 13-JUL-16 5C2O 0 JRNL AUTH Y.LI,Z.GUO,L.JIN,D.WANG,Z.GAO,X.SU,H.HOU,Y.DONG JRNL TITL MECHANISM OF THE ALLOSTERIC REGULATION OF STREPTOCOCCUS JRNL TITL 2 MUTANS 2'-DEOXYCYTIDYLATE DEAMINASE JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 72 883 2016 JRNL REFN ESSN 1399-0047 JRNL DOI 10.1107/S2059798316009153 REMARK 2 REMARK 2 RESOLUTION. 2.35 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.9_1692 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.35 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 31.19 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 19994 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.185 REMARK 3 R VALUE (WORKING SET) : 0.183 REMARK 3 FREE R VALUE : 0.212 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.260 REMARK 3 FREE R VALUE TEST SET COUNT : 1051 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 31.1921 - 4.6963 1.00 2461 148 0.1490 0.1669 REMARK 3 2 4.6963 - 3.7296 1.00 2406 128 0.1548 0.1821 REMARK 3 3 3.7296 - 3.2587 1.00 2343 149 0.1876 0.2292 REMARK 3 4 3.2587 - 2.9610 1.00 2332 135 0.2230 0.2449 REMARK 3 5 2.9610 - 2.7489 1.00 2359 125 0.2355 0.2638 REMARK 3 6 2.7489 - 2.5869 1.00 2338 160 0.2192 0.2718 REMARK 3 7 2.5869 - 2.4574 1.00 2371 93 0.2257 0.2487 REMARK 3 8 2.4574 - 2.3505 1.00 2333 113 0.2284 0.2675 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.250 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.940 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.008 2348 REMARK 3 ANGLE : 1.163 3194 REMARK 3 CHIRALITY : 0.043 358 REMARK 3 PLANARITY : 0.005 404 REMARK 3 DIHEDRAL : 18.126 856 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE ENTRY CONTAINS FRIEDEL PAIRS IN REMARK 3 F_PLUS/MINUS, I_PLUS/MINUS COLUMNS REMARK 4 REMARK 4 5C2O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-JUN-15. REMARK 100 THE DEPOSITION ID IS D_1000210918. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-DEC-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : BSRF REMARK 200 BEAMLINE : 3W1A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.2824 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19994 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.350 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 15.60 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 56.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL 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: SAD REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS, REMARK 200 I_PLUS/MINUS COLUMNS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 57.62 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG3350, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 3 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 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 56.22750 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 56.22750 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 56.22750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 56.22750 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 56.22750 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 56.22750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 56.22750 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 56.22750 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 56.22750 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 56.22750 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 56.22750 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 56.22750 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 56.22750 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 56.22750 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 56.22750 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 56.22750 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 56.22750 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 56.22750 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 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: HEXAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 23740 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 32510 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -374.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 350 BIOMT1 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 3 1.000000 0.000000 0.000000 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 MET A -33 REMARK 465 GLY A -32 REMARK 465 SER A -31 REMARK 465 SER A -30 REMARK 465 HIS A -29 REMARK 465 HIS A -28 REMARK 465 HIS A -27 REMARK 465 HIS A -26 REMARK 465 HIS A -25 REMARK 465 HIS A -24 REMARK 465 SER A -23 REMARK 465 SER A -22 REMARK 465 GLY A -21 REMARK 465 LEU A -20 REMARK 465 VAL A -19 REMARK 465 PRO A -18 REMARK 465 ARG A -17 REMARK 465 GLY A -16 REMARK 465 SER A -15 REMARK 465 HIS A -14 REMARK 465 MET A -13 REMARK 465 ALA A -12 REMARK 465 SER A -11 REMARK 465 MET A -10 REMARK 465 THR A -9 REMARK 465 GLY A -8 REMARK 465 GLY A -7 REMARK 465 GLN A -6 REMARK 465 GLN A -5 REMARK 465 MET A -4 REMARK 465 GLY A -3 REMARK 465 ARG A -2 REMARK 465 GLY A -1 REMARK 465 SER A 0 REMARK 465 MET A 1 REMARK 465 THR A 2 REMARK 465 ASN A 3 REMARK 465 ARG A 4 REMARK 465 GLU A 149 REMARK 465 LYS A 150 REMARK 465 MET B -33 REMARK 465 GLY B -32 REMARK 465 SER B -31 REMARK 465 SER B -30 REMARK 465 HIS B -29 REMARK 465 HIS B -28 REMARK 465 HIS B -27 REMARK 465 HIS B -26 REMARK 465 HIS B -25 REMARK 465 HIS B -24 REMARK 465 SER B -23 REMARK 465 SER B -22 REMARK 465 GLY B -21 REMARK 465 LEU B -20 REMARK 465 VAL B -19 REMARK 465 PRO B -18 REMARK 465 ARG B -17 REMARK 465 GLY B -16 REMARK 465 SER B -15 REMARK 465 HIS B -14 REMARK 465 MET B -13 REMARK 465 ALA B -12 REMARK 465 SER B -11 REMARK 465 MET B -10 REMARK 465 THR B -9 REMARK 465 GLY B -8 REMARK 465 GLY B -7 REMARK 465 GLN B -6 REMARK 465 GLN B -5 REMARK 465 MET B -4 REMARK 465 GLY B -3 REMARK 465 ARG B -2 REMARK 465 GLY B -1 REMARK 465 SER B 0 REMARK 465 MET B 1 REMARK 465 THR B 2 REMARK 465 ASN B 3 REMARK 465 ARG B 4 REMARK 465 GLU B 149 REMARK 465 LYS B 150 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 O HOH A 838 O HOH A 841 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 OH TYR A 120 OH TYR A 120 6566 2.18 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 ALA B 27 112.66 -168.65 REMARK 500 ASN B 37 19.99 59.75 REMARK 500 ASN B 117 -82.77 -83.73 REMARK 500 TYR B 120 -85.60 -107.94 REMARK 500 REMARK 500 REMARK: NULL 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 701 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 24 SG REMARK 620 2 CYS A 54 SG 113.5 REMARK 620 3 CYS A 66 SG 119.1 103.5 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 702 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 71 ND1 REMARK 620 2 CYS A 99 SG 111.6 REMARK 620 3 CYS A 102 SG 117.3 105.7 REMARK 620 4 HOH A 812 O 103.9 108.1 110.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 701 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 24 SG REMARK 620 2 CYS B 54 SG 112.2 REMARK 620 3 HIS B 59 ND1 98.8 110.3 REMARK 620 4 CYS B 66 SG 115.6 107.0 112.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 702 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 71 ND1 REMARK 620 2 CYS B 99 SG 111.6 REMARK 620 3 CYS B 102 SG 114.2 109.6 REMARK 620 4 HOH B 802 O 94.4 115.8 110.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 703 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 831 O REMARK 620 2 HOH A 848 O 100.8 REMARK 620 3 HOH A 827 O 108.2 89.6 REMARK 620 4 TTP A 704 O1A 82.2 176.1 87.1 REMARK 620 5 TTP A 704 O1B 161.1 93.0 84.5 84.5 REMARK 620 6 TTP A 704 O3G 85.4 89.3 166.3 93.4 81.9 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG B 703 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 TTP B 704 O1A REMARK 620 2 TTP B 704 O1B 73.8 REMARK 620 3 TTP B 704 O3G 84.9 77.4 REMARK 620 4 HOH B 822 O 76.8 148.5 89.0 REMARK 620 5 HOH B 842 O 90.6 90.6 167.9 100.9 REMARK 620 6 HOH B 826 O 167.9 98.2 84.4 108.7 98.7 REMARK 620 N 1 2 3 4 5 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 701 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 702 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 703 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue TTP A 704 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 701 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 702 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG B 703 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue TTP B 704 DBREF 5C2O A 1 150 UNP Q8DSE5 Q8DSE5_STRMU 1 150 DBREF 5C2O B 1 150 UNP Q8DSE5 Q8DSE5_STRMU 1 150 SEQADV 5C2O MET A -33 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -32 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A -31 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A -30 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -29 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -28 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -27 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -26 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -25 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -24 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A -23 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A -22 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -21 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O LEU A -20 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O VAL A -19 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O PRO A -18 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O ARG A -17 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -16 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A -15 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS A -14 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET A -13 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O ALA A -12 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A -11 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET A -10 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O THR A -9 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -8 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -7 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLN A -6 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLN A -5 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET A -4 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -3 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O ARG A -2 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY A -1 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER A 0 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET B -33 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -32 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B -31 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B -30 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -29 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -28 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -27 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -26 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -25 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -24 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B -23 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B -22 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -21 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O LEU B -20 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O VAL B -19 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O PRO B -18 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O ARG B -17 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -16 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B -15 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O HIS B -14 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET B -13 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O ALA B -12 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B -11 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET B -10 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O THR B -9 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -8 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -7 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLN B -6 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLN B -5 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O MET B -4 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -3 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O ARG B -2 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O GLY B -1 UNP Q8DSE5 EXPRESSION TAG SEQADV 5C2O SER B 0 UNP Q8DSE5 EXPRESSION TAG SEQRES 1 A 184 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 184 LEU VAL PRO ARG GLY SER HIS MET ALA SER MET THR GLY SEQRES 3 A 184 GLY GLN GLN MET GLY ARG GLY SER MET THR ASN ARG LEU SEQRES 4 A 184 SER TRP GLN ASP TYR PHE MET ALA ASN ALA GLU LEU ILE SEQRES 5 A 184 SER LYS ARG SER THR CYS ASN ARG ALA TYR VAL GLY ALA SEQRES 6 A 184 VAL LEU VAL LYS ASN ASN ARG ILE ILE ALA THR GLY TYR SEQRES 7 A 184 ASN GLY GLY VAL ALA ASP THR ASP ASN CYS ASP ASP VAL SEQRES 8 A 184 GLY HIS GLU MET GLU ASP GLY HIS CYS ILE ARG THR VAL SEQRES 9 A 184 HIS ALA GLU MET ASN ALA LEU ILE GLN CYS ALA LYS GLU SEQRES 10 A 184 GLY ILE SER ALA ASN ASN THR GLU ILE TYR VAL THR HIS SEQRES 11 A 184 PHE PRO CYS ILE ASN CYS THR LYS ALA LEU LEU GLN ALA SEQRES 12 A 184 GLY VAL LYS LYS ILE THR TYR ASN THR ALA TYR ARG ILE SEQRES 13 A 184 HIS PRO PHE ALA ILE GLU LEU MET THR GLN LYS GLU VAL SEQRES 14 A 184 GLU TYR VAL GLN HIS ASP VAL PRO ARG VAL LYS LEU GLY SEQRES 15 A 184 GLU LYS SEQRES 1 B 184 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 B 184 LEU VAL PRO ARG GLY SER HIS MET ALA SER MET THR GLY SEQRES 3 B 184 GLY GLN GLN MET GLY ARG GLY SER MET THR ASN ARG LEU SEQRES 4 B 184 SER TRP GLN ASP TYR PHE MET ALA ASN ALA GLU LEU ILE SEQRES 5 B 184 SER LYS ARG SER THR CYS ASN ARG ALA TYR VAL GLY ALA SEQRES 6 B 184 VAL LEU VAL LYS ASN ASN ARG ILE ILE ALA THR GLY TYR SEQRES 7 B 184 ASN GLY GLY VAL ALA ASP THR ASP ASN CYS ASP ASP VAL SEQRES 8 B 184 GLY HIS GLU MET GLU ASP GLY HIS CYS ILE ARG THR VAL SEQRES 9 B 184 HIS ALA GLU MET ASN ALA LEU ILE GLN CYS ALA LYS GLU SEQRES 10 B 184 GLY ILE SER ALA ASN ASN THR GLU ILE TYR VAL THR HIS SEQRES 11 B 184 PHE PRO CYS ILE ASN CYS THR LYS ALA LEU LEU GLN ALA SEQRES 12 B 184 GLY VAL LYS LYS ILE THR TYR ASN THR ALA TYR ARG ILE SEQRES 13 B 184 HIS PRO PHE ALA ILE GLU LEU MET THR GLN LYS GLU VAL SEQRES 14 B 184 GLU TYR VAL GLN HIS ASP VAL PRO ARG VAL LYS LEU GLY SEQRES 15 B 184 GLU LYS HET ZN A 701 1 HET ZN A 702 1 HET MG A 703 1 HET TTP A 704 29 HET ZN B 701 1 HET ZN B 702 1 HET MG B 703 1 HET TTP B 704 29 HETNAM ZN ZINC ION HETNAM MG MAGNESIUM ION HETNAM TTP THYMIDINE-5'-TRIPHOSPHATE FORMUL 3 ZN 4(ZN 2+) FORMUL 5 MG 2(MG 2+) FORMUL 6 TTP 2(C10 H17 N2 O14 P3) FORMUL 11 HOH *101(H2 O) HELIX 1 AA1 SER A 6 LYS A 20 1 15 HELIX 2 AA2 ASN A 53 GLY A 58 1 6 HELIX 3 AA3 HIS A 71 GLY A 84 1 14 HELIX 4 AA4 CYS A 99 ALA A 109 1 11 HELIX 5 AA5 HIS A 123 LYS A 133 1 11 HELIX 6 AA6 SER B 6 LYS B 20 1 15 HELIX 7 AA7 ASN B 53 GLY B 58 1 6 HELIX 8 AA8 HIS B 71 GLY B 84 1 14 HELIX 9 AA9 CYS B 99 ALA B 109 1 11 HELIX 10 AB1 HIS B 123 LYS B 133 1 11 SHEET 1 AA1 5 ARG A 38 TYR A 44 0 SHEET 2 AA1 5 GLY A 30 LYS A 35 -1 N LEU A 33 O ALA A 41 SHEET 3 AA1 5 GLU A 91 HIS A 96 -1 O GLU A 91 N VAL A 34 SHEET 4 AA1 5 LYS A 113 THR A 118 1 O THR A 115 N ILE A 92 SHEET 5 AA1 5 GLU A 136 GLN A 139 1 O GLU A 136 N ILE A 114 SHEET 1 AA2 2 GLY A 46 GLY A 47 0 SHEET 2 AA2 2 THR A 69 VAL A 70 -1 O VAL A 70 N GLY A 46 SHEET 1 AA3 2 MET A 61 GLU A 62 0 SHEET 2 AA3 2 HIS A 65 CYS A 66 -1 O HIS A 65 N GLU A 62 SHEET 1 AA4 5 ARG B 38 TYR B 44 0 SHEET 2 AA4 5 GLY B 30 LYS B 35 -1 N LEU B 33 O ALA B 41 SHEET 3 AA4 5 GLU B 91 HIS B 96 -1 O GLU B 91 N VAL B 34 SHEET 4 AA4 5 LYS B 113 THR B 118 1 O THR B 115 N VAL B 94 SHEET 5 AA4 5 GLU B 136 GLN B 139 1 O GLU B 136 N ILE B 114 SHEET 1 AA5 2 MET B 61 GLU B 62 0 SHEET 2 AA5 2 HIS B 65 CYS B 66 -1 O HIS B 65 N GLU B 62 LINK SG CYS A 24 ZN ZN A 701 1555 1555 2.43 LINK SG CYS A 54 ZN ZN A 701 1555 1555 2.36 LINK SG CYS A 66 ZN ZN A 701 1555 1555 2.39 LINK ND1 HIS A 71 ZN ZN A 702 1555 1555 2.19 LINK SG CYS A 99 ZN ZN A 702 1555 1555 2.34 LINK SG CYS A 102 ZN ZN A 702 1555 1555 2.41 LINK SG CYS B 24 ZN ZN B 701 1555 1555 2.52 LINK SG CYS B 54 ZN ZN B 701 1555 1555 2.36 LINK ND1 HIS B 59 ZN ZN B 701 1555 1555 2.37 LINK SG CYS B 66 ZN ZN B 701 1555 1555 2.33 LINK ND1 HIS B 71 ZN ZN B 702 1555 1555 2.12 LINK SG CYS B 99 ZN ZN B 702 1555 1555 2.39 LINK SG CYS B 102 ZN ZN B 702 1555 1555 2.47 LINK ZN ZN A 702 O HOH A 812 1555 1555 2.40 LINK MG MG A 703 O HOH A 831 1555 1555 2.27 LINK MG MG A 703 O HOH A 848 1555 1555 2.32 LINK MG MG A 703 O HOH A 827 1555 1555 2.24 LINK MG MG A 703 O1A TTP A 704 1555 1555 2.10 LINK MG MG A 703 O1B TTP A 704 1555 1555 2.18 LINK MG MG A 703 O3G TTP A 704 1555 1555 2.20 LINK ZN ZN B 702 O HOH B 802 1555 1555 2.33 LINK MG MG B 703 O1A TTP B 704 1555 1555 2.31 LINK MG MG B 703 O1B TTP B 704 1555 1555 2.30 LINK MG MG B 703 O3G TTP B 704 1555 1555 2.16 LINK MG MG B 703 O HOH B 822 1555 1555 2.21 LINK MG MG B 703 O HOH B 842 1555 1555 2.28 LINK MG MG B 703 O HOH B 826 1555 1555 2.07 SITE *** AC1 4 CYS A 24 CYS A 54 HIS A 59 CYS A 66 SITE *** AC2 4 HIS A 71 CYS A 99 CYS A 102 HOH A 812 SITE *** AC3 4 TTP A 704 HOH A 827 HOH A 831 HOH A 848 SITE *** AC4 22 ARG A 21 THR A 23 THR A 42 GLY A 43 SITE *** AC4 22 TYR A 44 GLY A 46 GLY A 47 ALA A 49 SITE *** AC4 22 ASP A 50 ASN A 53 ASN A 75 GLN A 79 SITE *** AC4 22 MG A 703 HOH A 804 HOH A 806 HOH A 818 SITE *** AC4 22 HOH A 820 HOH A 827 HOH A 831 HOH A 834 SITE *** AC4 22 TRP B 7 GLN B 108 SITE *** AC5 4 CYS B 24 CYS B 54 HIS B 59 CYS B 66 SITE *** AC6 4 HIS B 71 CYS B 99 CYS B 102 HOH B 802 SITE *** AC7 4 TTP B 704 HOH B 822 HOH B 826 HOH B 842 SITE *** AC8 26 TRP A 7 ASN A 37 GLN A 108 HOH A 802 SITE *** AC8 26 HOH A 807 ARG B 21 THR B 23 THR B 42 SITE *** AC8 26 GLY B 43 TYR B 44 GLY B 46 GLY B 47 SITE *** AC8 26 ALA B 49 ASP B 50 ASN B 53 ASN B 75 SITE *** AC8 26 GLN B 79 MG B 703 HOH B 804 HOH B 811 SITE *** AC8 26 HOH B 822 HOH B 826 HOH B 827 HOH B 833 SITE *** AC8 26 HOH B 835 HOH B 836 CRYST1 112.455 112.455 112.455 90.00 90.00 90.00 P 21 3 24 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 0.008892 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008892 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008892 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 71 HIS HD1 : A 71 HIS ND1 : A 702 ZNZN :(H bumps) USER MOD NoAdj-H: B 59 HIS HD1 : B 59 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD NoAdj-H: B 71 HIS HD1 : B 71 HIS ND1 : B 702 ZNZN :(H bumps) USER MOD Set 1.1: B 96 HIS : no HD1:sc= 0.495 K(o=1.1,f=-4!) USER MOD Set 1.2: B 118 THR OG1 : rot 81:sc= 0.557 USER MOD Set 2.1: B 89 ASN : amide:sc= 0.021 K(o=0.05,f=-0.95) USER MOD Set 2.2: B 112 LYS NZ :NH3+ -131:sc= 0.0286 (180deg=0) USER MOD Set 3.1: A 108 GLN : amide:sc= 1.85 K(o=3.7,f=-6.2!) USER MOD Set 3.2: B 75 ASN : amide:sc= 1.1 K(o=3.7,f=-6.2) USER MOD Set 3.3: B 704 TTP O3' : rot -54:sc= 0.737 USER MOD Set 4.1: B 45 ASN : amide:sc= 0.846 K(o=2.1,f=-1.1) USER MOD Set 4.2: B 69 THR OG1 : rot 131:sc= 1.22 USER MOD Set 5.1: B 23 THR OG1 : rot -170:sc= 0 USER MOD Set 5.2: B 53 ASN : amide:sc= 0.0721 K(o=0.072,f=-0.5) USER MOD Set 6.1: B 8 GLN : amide:sc= -0.613 K(o=-0.91,f=-4.1) USER MOD Set 6.2: B 140 HIS : no HD1:sc= -0.298 K(o=-0.91,f=-5.7!) USER MOD Set 7.1: A 75 ASN : amide:sc= 0.71 K(o=2.4,f=-7.7!) USER MOD Set 7.2: A 704 TTP O3' : rot -57:sc= 0.601 USER MOD Set 7.3: B 108 GLN : amide:sc= 1.1 K(o=2.4,f=-5.7!) USER MOD Set 8.1: A 95 THR OG1 : rot 62:sc= 1.43 USER MOD Set 8.2: A 96 HIS : no HD1:sc= 0.531 K(o=2,f=-4.9) USER MOD Set 9.1: A 89 ASN : amide:sc= 0.225 K(o=0.47,f=-0.53) USER MOD Set 9.2: A 112 LYS NZ :NH3+ 177:sc= 0.247 (180deg=0) USER MOD Set10.1: A 45 ASN : amide:sc= 1.14 K(o=2.4,f=-0.66) USER MOD Set10.2: A 69 THR OG1 : rot 149:sc= 1.31 USER MOD Set11.1: A 25 ASN : amide:sc= -0.0102 K(o=-0.23,f=-6.1!) USER MOD Set11.2: A 59 HIS : no HD1:sc= -0.224 K(o=-0.23,f=-2.9) USER MOD Single : A 6 SER OG : rot -89:sc= 0.526 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -169:sc= -1.41 (180deg=-1.65) USER MOD Single : A 14 ASN : amide:sc= -0.0265 X(o=-0.026,f=0.33) USER MOD Single : A 19 SER OG : rot -83:sc= 1.12 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 84:sc= 1.19 USER MOD Single : A 23 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 9:sc= 1.01 USER MOD Single : A 51 THR OG1 : rot -56:sc= 1.3 USER MOD Single : A 53 ASN : amide:sc= 0.0923 X(o=0.092,f=-0.2) USER MOD Single : A 61 MET CE :methyl -166:sc= -0.109 (180deg=-0.484) USER MOD Single : A 65 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3.8!) USER MOD Single : A 74 MET CE :methyl 155:sc= -0.223 (180deg=-1.34!) USER MOD Single : A 79 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.21) USER MOD Single : A 80 CYS SG : rot -150:sc= -0.0245 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 59:sc= 0.418 USER MOD Single : A 88 ASN : amide:sc= -0.233 K(o=-0.23,f=-3.2!) USER MOD Single : A 90 THR OG1 : rot -89:sc= 1.04 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 77:sc= 0.468 USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.29) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 118 THR OG1 : rot -52:sc= 0.0341 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= 0.0757 K(o=0.076,f=-4!) USER MOD Single : A 130 MET CE :methyl -173:sc= -0.0457 (180deg=-0.177) USER MOD Single : A 131 THR OG1 : rot 74:sc= 0.934 USER MOD Single : A 132 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.51) USER MOD Single : A 133 LYS NZ :NH3+ 161:sc= 1.47 (180deg=1.06) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 GLN : amide:sc= 0.719 K(o=0.72,f=-2.4!) USER MOD Single : A 140 HIS : no HD1:sc= 0.508 K(o=0.51,f=-2.6!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 SER OG : rot -96:sc= 0.104 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 MET CE :methyl -162:sc= -0.22 (180deg=-0.711) USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 SER OG : rot -49:sc= 1.19 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 110:sc= -0.0141 USER MOD Single : B 25 ASN : amide:sc= -0.523 K(o=-0.52,f=-4.2!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -115:sc= 1.27 (180deg=-0.519) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : B 37 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot 8:sc= 0.807 USER MOD Single : B 51 THR OG1 : rot -60:sc= 0.987 USER MOD Single : B 61 MET CE :methyl -171:sc= -0.485 (180deg=-0.924) USER MOD Single : B 65 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : B 74 MET CE :methyl 153:sc= -0.283 (180deg=-2.1) USER MOD Single : B 79 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.076) USER MOD Single : B 80 CYS SG : rot 70:sc= 0.0207 USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 SER OG : rot 69:sc= 0.658 USER MOD Single : B 88 ASN : amide:sc= -0.292 K(o=-0.29,f=-3.2!) USER MOD Single : B 90 THR OG1 : rot -98:sc= 1.28 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 THR OG1 : rot 100:sc=-0.000634 USER MOD Single : B 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 103 THR OG1 : rot 72:sc= 0.233 USER MOD Single : B 104 LYS NZ :NH3+ 159:sc= 2.15 (180deg=1.66) USER MOD Single : B 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 115 THR OG1 : rot 180:sc= 0 USER MOD Single : B 116 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.3) USER MOD Single : B 120 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-7.1!) USER MOD Single : B 130 MET CE :methyl -173:sc= -0.323 (180deg=-0.639) USER MOD Single : B 131 THR OG1 : rot 76:sc= 0.352 USER MOD Single : B 132 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : B 133 LYS NZ :NH3+ 161:sc= 0.401 (180deg=0.278) USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD Single : B 139 GLN : amide:sc= 0.131 K(o=0.13,f=-1.5) USER MOD Single : B 146 LYS NZ :NH3+ -114:sc= -0.0175 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 5 93.111 53.722 56.119 1.00 59.26 N ATOM 2 CA LEU A 5 92.182 54.557 55.345 1.00 60.98 C ATOM 3 C LEU A 5 91.445 55.649 56.165 1.00 53.95 C ATOM 4 O LEU A 5 90.504 55.341 56.911 1.00 55.33 O ATOM 5 CB LEU A 5 91.151 53.659 54.667 1.00 57.67 C ATOM 6 CG LEU A 5 90.188 54.380 53.719 1.00 60.87 C ATOM 7 CD1 LEU A 5 90.928 54.950 52.505 1.00 52.76 C ATOM 8 CD2 LEU A 5 89.054 53.453 53.296 1.00 54.97 C ATOM 0 HA LEU A 5 92.728 55.034 54.701 1.00 60.98 H new ATOM 0 HB2 LEU A 5 91.619 52.971 54.169 1.00 57.67 H new ATOM 0 HB3 LEU A 5 90.633 53.210 55.353 1.00 57.67 H new ATOM 0 HG LEU A 5 89.798 55.129 54.197 1.00 60.87 H new ATOM 0 HD11 LEU A 5 90.296 55.400 51.923 1.00 52.76 H new ATOM 0 HD12 LEU A 5 91.600 55.583 52.803 1.00 52.76 H new ATOM 0 HD13 LEU A 5 91.357 54.228 52.019 1.00 52.76 H new ATOM 0 HD21 LEU A 5 88.455 53.926 52.697 1.00 54.97 H new ATOM 0 HD22 LEU A 5 89.421 52.679 52.841 1.00 54.97 H new ATOM 0 HD23 LEU A 5 88.563 53.163 54.081 1.00 54.97 H new ATOM 9 N SER A 6 91.842 56.915 56.004 1.00 50.45 N ATOM 10 CA SER A 6 91.259 58.010 56.803 1.00 53.90 C ATOM 11 C SER A 6 89.781 58.293 56.462 1.00 55.11 C ATOM 12 O SER A 6 89.282 57.865 55.414 1.00 55.87 O ATOM 13 CB SER A 6 92.066 59.304 56.628 1.00 53.75 C ATOM 14 OG SER A 6 92.020 59.778 55.285 1.00 54.87 O ATOM 0 H SER A 6 92.444 57.164 55.442 1.00 50.45 H new ATOM 0 HA SER A 6 91.298 57.711 57.725 1.00 53.90 H new ATOM 0 HB2 SER A 6 91.718 59.986 57.224 1.00 53.75 H new ATOM 0 HB3 SER A 6 92.988 59.147 56.884 1.00 53.75 H new ATOM 0 HG SER A 6 92.649 59.436 54.845 1.00 54.87 H new ATOM 15 N TRP A 7 89.081 59.007 57.344 1.00 50.02 N ATOM 16 CA TRP A 7 87.707 59.428 57.048 1.00 50.24 C ATOM 17 C TRP A 7 87.678 60.279 55.780 1.00 47.01 C ATOM 18 O TRP A 7 86.887 60.021 54.888 1.00 45.46 O ATOM 19 CB TRP A 7 87.089 60.216 58.201 1.00 46.33 C ATOM 20 CG TRP A 7 86.556 59.384 59.318 1.00 48.78 C ATOM 21 CD1 TRP A 7 86.875 59.502 60.641 1.00 46.43 C ATOM 22 CD2 TRP A 7 85.602 58.315 59.230 1.00 46.96 C ATOM 23 NE1 TRP A 7 86.185 58.566 61.382 1.00 53.79 N ATOM 24 CE2 TRP A 7 85.390 57.822 60.536 1.00 49.80 C ATOM 25 CE3 TRP A 7 84.897 57.720 58.171 1.00 46.10 C ATOM 26 CZ2 TRP A 7 84.516 56.774 60.821 1.00 44.89 C ATOM 27 CZ3 TRP A 7 84.023 56.672 58.453 1.00 44.79 C ATOM 28 CH2 TRP A 7 83.844 56.209 59.765 1.00 45.69 C ATOM 0 H TRP A 7 89.378 59.257 58.112 1.00 50.02 H new ATOM 0 HA TRP A 7 87.182 58.623 56.918 1.00 50.24 H new ATOM 0 HB2 TRP A 7 87.758 60.821 58.557 1.00 46.33 H new ATOM 0 HB3 TRP A 7 86.369 60.764 57.851 1.00 46.33 H new ATOM 0 HD1 TRP A 7 87.471 60.124 60.991 1.00 46.43 H new ATOM 0 HE1 TRP A 7 86.241 58.463 62.234 1.00 53.79 H new ATOM 0 HE3 TRP A 7 85.011 58.020 57.298 1.00 46.10 H new ATOM 0 HZ2 TRP A 7 84.393 56.470 61.691 1.00 44.89 H new ATOM 0 HZ3 TRP A 7 83.550 56.272 57.759 1.00 44.79 H new ATOM 0 HH2 TRP A 7 83.258 55.504 59.923 1.00 45.69 H new ATOM 29 N GLN A 8 88.555 61.275 55.702 1.00 46.18 N ATOM 30 CA GLN A 8 88.652 62.121 54.511 1.00 51.48 C ATOM 31 C GLN A 8 88.880 61.311 53.234 1.00 52.63 C ATOM 32 O GLN A 8 88.238 61.568 52.220 1.00 50.98 O ATOM 33 CB GLN A 8 89.774 63.152 54.662 1.00 48.55 C ATOM 34 CG GLN A 8 89.336 64.489 55.195 1.00 53.54 C ATOM 35 CD GLN A 8 90.457 65.514 55.159 1.00 65.30 C ATOM 36 OE1 GLN A 8 91.574 65.240 55.603 1.00 75.99 O ATOM 37 NE2 GLN A 8 90.173 66.694 54.608 1.00 61.56 N ATOM 0 H GLN A 8 89.106 61.480 56.330 1.00 46.18 H new ATOM 0 HA GLN A 8 87.799 62.575 54.430 1.00 51.48 H new ATOM 0 HB2 GLN A 8 90.452 62.789 55.253 1.00 48.55 H new ATOM 0 HB3 GLN A 8 90.193 63.284 53.797 1.00 48.55 H new ATOM 0 HG2 GLN A 8 88.586 64.814 54.673 1.00 53.54 H new ATOM 0 HG3 GLN A 8 89.023 64.385 56.107 1.00 53.54 H new ATOM 0 HE21 GLN A 8 89.382 66.850 54.309 1.00 61.56 H new ATOM 0 HE22 GLN A 8 90.781 67.300 54.552 1.00 61.56 H new ATOM 38 N ASP A 9 89.783 60.335 53.281 1.00 48.55 N ATOM 39 CA ASP A 9 90.059 59.519 52.102 1.00 49.49 C ATOM 40 C ASP A 9 88.874 58.632 51.772 1.00 48.41 C ATOM 41 O ASP A 9 88.589 58.372 50.607 1.00 49.19 O ATOM 42 CB ASP A 9 91.309 58.647 52.295 1.00 55.30 C ATOM 43 CG ASP A 9 92.611 59.446 52.229 1.00 54.76 C ATOM 44 OD1 ASP A 9 92.702 60.403 51.437 1.00 53.67 O ATOM 45 OD2 ASP A 9 93.545 59.106 52.985 1.00 61.17 O ATOM 0 H ASP A 9 90.243 60.130 53.978 1.00 48.55 H new ATOM 0 HA ASP A 9 90.220 60.130 51.366 1.00 49.49 H new ATOM 0 HB2 ASP A 9 91.254 58.198 53.153 1.00 55.30 H new ATOM 0 HB3 ASP A 9 91.324 57.957 51.614 1.00 55.30 H new ATOM 46 N TYR A 10 88.189 58.147 52.797 1.00 47.65 N ATOM 47 CA TYR A 10 87.034 57.292 52.573 1.00 45.79 C ATOM 48 C TYR A 10 85.938 58.034 51.797 1.00 43.40 C ATOM 49 O TYR A 10 85.336 57.495 50.870 1.00 41.39 O ATOM 50 CB TYR A 10 86.495 56.784 53.906 1.00 46.54 C ATOM 51 CG TYR A 10 85.161 56.079 53.813 1.00 42.22 C ATOM 52 CD1 TYR A 10 85.061 54.810 53.273 1.00 39.60 C ATOM 53 CD2 TYR A 10 84.004 56.682 54.291 1.00 40.77 C ATOM 54 CE1 TYR A 10 83.844 54.155 53.201 1.00 43.61 C ATOM 55 CE2 TYR A 10 82.780 56.032 54.234 1.00 41.51 C ATOM 56 CZ TYR A 10 82.704 54.775 53.687 1.00 44.95 C ATOM 57 OH TYR A 10 81.482 54.145 53.616 1.00 49.97 O ATOM 0 H TYR A 10 88.374 58.299 53.623 1.00 47.65 H new ATOM 0 HA TYR A 10 87.315 56.534 52.037 1.00 45.79 H new ATOM 0 HB2 TYR A 10 87.143 56.176 54.294 1.00 46.54 H new ATOM 0 HB3 TYR A 10 86.410 57.534 54.515 1.00 46.54 H new ATOM 0 HD1 TYR A 10 85.826 54.389 52.952 1.00 39.60 H new ATOM 0 HD2 TYR A 10 84.051 57.536 54.655 1.00 40.77 H new ATOM 0 HE1 TYR A 10 83.792 53.304 52.829 1.00 43.61 H new ATOM 0 HE2 TYR A 10 82.015 56.445 54.564 1.00 41.51 H new ATOM 0 HH TYR A 10 80.891 54.641 53.949 1.00 49.97 H new ATOM 58 N PHE A 11 85.706 59.284 52.171 1.00 40.54 N ATOM 59 CA PHE A 11 84.621 60.044 51.579 1.00 46.92 C ATOM 60 C PHE A 11 84.996 60.470 50.168 1.00 43.27 C ATOM 61 O PHE A 11 84.190 60.325 49.259 1.00 46.76 O ATOM 62 CB PHE A 11 84.264 61.245 52.461 1.00 39.79 C ATOM 63 CG PHE A 11 83.726 60.846 53.807 1.00 45.09 C ATOM 64 CD1 PHE A 11 82.752 59.855 53.910 1.00 43.08 C ATOM 65 CD2 PHE A 11 84.215 61.423 54.972 1.00 46.00 C ATOM 66 CE1 PHE A 11 82.258 59.467 55.145 1.00 46.03 C ATOM 67 CE2 PHE A 11 83.731 61.033 56.213 1.00 43.03 C ATOM 68 CZ PHE A 11 82.756 60.051 56.302 1.00 43.41 C ATOM 0 H PHE A 11 86.164 59.708 52.763 1.00 40.54 H new ATOM 0 HA PHE A 11 83.831 59.484 51.521 1.00 46.92 H new ATOM 0 HB2 PHE A 11 85.053 61.796 52.584 1.00 39.79 H new ATOM 0 HB3 PHE A 11 83.605 61.791 52.004 1.00 39.79 H new ATOM 0 HD1 PHE A 11 82.429 59.448 53.139 1.00 43.08 H new ATOM 0 HD2 PHE A 11 84.874 62.078 54.920 1.00 46.00 H new ATOM 0 HE1 PHE A 11 81.595 58.817 55.199 1.00 46.03 H new ATOM 0 HE2 PHE A 11 84.061 61.431 56.986 1.00 43.03 H new ATOM 0 HZ PHE A 11 82.437 59.784 57.134 1.00 43.41 H new ATOM 69 N MET A 12 86.221 60.956 49.971 1.00 43.09 N ATOM 70 CA MET A 12 86.639 61.363 48.629 1.00 46.79 C ATOM 71 C MET A 12 86.656 60.162 47.704 1.00 47.23 C ATOM 72 O MET A 12 86.303 60.272 46.531 1.00 48.82 O ATOM 73 CB MET A 12 88.014 62.031 48.627 1.00 45.59 C ATOM 74 CG MET A 12 88.021 63.526 48.950 1.00 53.07 C ATOM 75 SD MET A 12 87.083 64.644 47.854 1.00 56.57 S ATOM 76 CE MET A 12 87.156 63.791 46.301 1.00 43.18 C ATOM 0 H MET A 12 86.814 61.057 50.586 1.00 43.09 H new ATOM 0 HA MET A 12 85.995 62.016 48.314 1.00 46.79 H new ATOM 0 HB2 MET A 12 88.579 61.575 49.270 1.00 45.59 H new ATOM 0 HB3 MET A 12 88.417 61.903 47.754 1.00 45.59 H new ATOM 0 HG2 MET A 12 87.679 63.637 49.851 1.00 53.07 H new ATOM 0 HG3 MET A 12 88.944 63.824 48.959 1.00 53.07 H new ATOM 0 HE1 MET A 12 86.837 64.375 45.595 1.00 43.18 H new ATOM 0 HE2 MET A 12 88.072 63.532 46.116 1.00 43.18 H new ATOM 0 HE3 MET A 12 86.599 62.998 46.341 1.00 43.18 H new ATOM 77 N ALA A 13 87.052 59.016 48.248 1.00 43.25 N ATOM 78 CA ALA A 13 87.012 57.782 47.500 1.00 41.76 C ATOM 79 C ALA A 13 85.595 57.501 47.047 1.00 43.55 C ATOM 80 O ALA A 13 85.369 57.027 45.941 1.00 43.52 O ATOM 81 CB ALA A 13 87.535 56.623 48.336 1.00 42.88 C ATOM 0 H ALA A 13 87.347 58.939 49.052 1.00 43.25 H new ATOM 0 HA ALA A 13 87.584 57.876 46.722 1.00 41.76 H new ATOM 0 HB1 ALA A 13 87.499 55.806 47.815 1.00 42.88 H new ATOM 0 HB2 ALA A 13 88.452 56.800 48.597 1.00 42.88 H new ATOM 0 HB3 ALA A 13 86.987 56.524 49.130 1.00 42.88 H new ATOM 82 N ASN A 14 84.624 57.791 47.899 1.00 45.38 N ATOM 83 CA ASN A 14 83.264 57.407 47.565 1.00 45.44 C ATOM 84 C ASN A 14 82.644 58.430 46.610 1.00 40.31 C ATOM 85 O ASN A 14 81.798 58.082 45.800 1.00 40.25 O ATOM 86 CB ASN A 14 82.448 57.215 48.836 1.00 44.30 C ATOM 87 CG ASN A 14 81.261 56.311 48.624 1.00 54.74 C ATOM 88 OD1 ASN A 14 80.627 56.304 47.550 1.00 61.11 O ATOM 89 ND2 ASN A 14 81.017 55.453 49.597 1.00 60.61 N ATOM 0 H ASN A 14 84.725 58.196 48.651 1.00 45.38 H new ATOM 0 HA ASN A 14 83.269 56.556 47.100 1.00 45.44 H new ATOM 0 HB2 ASN A 14 83.016 56.843 49.529 1.00 44.30 H new ATOM 0 HB3 ASN A 14 82.141 58.078 49.154 1.00 44.30 H new ATOM 0 HD21 ASN A 14 80.401 54.860 49.503 1.00 60.61 H new ATOM 0 HD22 ASN A 14 81.474 55.487 50.325 1.00 60.61 H new ATOM 90 N ALA A 15 83.123 59.673 46.661 1.00 37.83 N ATOM 91 CA ALA A 15 82.760 60.671 45.657 1.00 39.97 C ATOM 92 C ALA A 15 83.169 60.211 44.259 1.00 41.25 C ATOM 93 O ALA A 15 82.361 60.206 43.335 1.00 41.94 O ATOM 94 CB ALA A 15 83.404 62.008 45.982 1.00 41.41 C ATOM 0 H ALA A 15 83.660 59.958 47.270 1.00 37.83 H new ATOM 0 HA ALA A 15 81.796 60.778 45.672 1.00 39.97 H new ATOM 0 HB1 ALA A 15 83.155 62.660 45.308 1.00 41.41 H new ATOM 0 HB2 ALA A 15 83.100 62.311 46.852 1.00 41.41 H new ATOM 0 HB3 ALA A 15 84.369 61.908 45.993 1.00 41.41 H new ATOM 95 N GLU A 16 84.434 59.828 44.120 1.00 46.31 N ATOM 96 CA GLU A 16 84.975 59.319 42.862 1.00 47.26 C ATOM 97 C GLU A 16 84.154 58.144 42.371 1.00 42.43 C ATOM 98 O GLU A 16 83.722 58.091 41.225 1.00 44.75 O ATOM 99 CB GLU A 16 86.436 58.891 43.044 1.00 48.13 C ATOM 100 CG GLU A 16 87.062 58.277 41.803 1.00 54.22 C ATOM 101 CD GLU A 16 87.097 59.238 40.626 1.00 65.29 C ATOM 102 OE1 GLU A 16 87.112 60.482 40.847 1.00 61.13 O ATOM 103 OE2 GLU A 16 87.104 58.739 39.475 1.00 73.54 O ATOM 0 H GLU A 16 85.009 59.856 44.759 1.00 46.31 H new ATOM 0 HA GLU A 16 84.934 60.029 42.203 1.00 47.26 H new ATOM 0 HB2 GLU A 16 86.959 59.664 43.309 1.00 48.13 H new ATOM 0 HB3 GLU A 16 86.487 58.251 43.771 1.00 48.13 H new ATOM 0 HG2 GLU A 16 87.966 57.991 42.009 1.00 54.22 H new ATOM 0 HG3 GLU A 16 86.563 57.483 41.553 1.00 54.22 H new ATOM 104 N LEU A 17 83.940 57.204 43.273 1.00 42.18 N ATOM 105 CA LEU A 17 83.165 56.014 42.984 1.00 43.99 C ATOM 106 C LEU A 17 81.740 56.308 42.467 1.00 48.17 C ATOM 107 O LEU A 17 81.303 55.719 41.465 1.00 45.01 O ATOM 108 CB LEU A 17 83.104 55.162 44.243 1.00 45.53 C ATOM 109 CG LEU A 17 82.739 53.699 44.064 1.00 53.61 C ATOM 110 CD1 LEU A 17 83.710 53.047 43.091 1.00 53.01 C ATOM 111 CD2 LEU A 17 82.767 53.020 45.430 1.00 52.46 C ATOM 0 H LEU A 17 84.243 57.239 44.077 1.00 42.18 H new ATOM 0 HA LEU A 17 83.611 55.543 42.263 1.00 43.99 H new ATOM 0 HB2 LEU A 17 83.969 55.206 44.680 1.00 45.53 H new ATOM 0 HB3 LEU A 17 82.460 55.562 44.848 1.00 45.53 H new ATOM 0 HG LEU A 17 81.847 53.610 43.693 1.00 53.61 H new ATOM 0 HD11 LEU A 17 83.476 52.113 42.977 1.00 53.01 H new ATOM 0 HD12 LEU A 17 83.662 53.499 42.234 1.00 53.01 H new ATOM 0 HD13 LEU A 17 84.612 53.114 43.441 1.00 53.01 H new ATOM 0 HD21 LEU A 17 82.535 52.083 45.331 1.00 52.46 H new ATOM 0 HD22 LEU A 17 83.656 53.094 45.810 1.00 52.46 H new ATOM 0 HD23 LEU A 17 82.127 53.450 46.019 1.00 52.46 H new ATOM 112 N ILE A 18 81.010 57.210 43.127 1.00 42.68 N ATOM 113 CA ILE A 18 79.636 57.448 42.690 1.00 42.97 C ATOM 114 C ILE A 18 79.644 58.272 41.387 1.00 44.93 C ATOM 115 O ILE A 18 78.743 58.133 40.551 1.00 40.12 O ATOM 116 CB ILE A 18 78.772 58.129 43.799 1.00 37.08 C ATOM 117 CG1 ILE A 18 77.277 58.058 43.459 1.00 41.32 C ATOM 118 CG2 ILE A 18 79.203 59.554 44.058 1.00 35.21 C ATOM 119 CD1 ILE A 18 76.723 56.666 43.387 1.00 39.57 C ATOM 0 H ILE A 18 81.277 57.675 43.800 1.00 42.68 H new ATOM 0 HA ILE A 18 79.219 56.590 42.516 1.00 42.97 H new ATOM 0 HB ILE A 18 78.918 57.632 44.619 1.00 37.08 H new ATOM 0 HG12 ILE A 18 76.781 58.558 44.126 1.00 41.32 H new ATOM 0 HG13 ILE A 18 77.129 58.498 42.607 1.00 41.32 H new ATOM 0 HG21 ILE A 18 78.644 59.941 44.750 1.00 35.21 H new ATOM 0 HG22 ILE A 18 80.129 59.565 44.347 1.00 35.21 H new ATOM 0 HG23 ILE A 18 79.113 60.073 43.243 1.00 35.21 H new ATOM 0 HD11 ILE A 18 75.779 56.704 43.169 1.00 39.57 H new ATOM 0 HD12 ILE A 18 77.193 56.166 42.701 1.00 39.57 H new ATOM 0 HD13 ILE A 18 76.839 56.227 44.244 1.00 39.57 H new ATOM 120 N SER A 19 80.682 59.087 41.199 1.00 43.60 N ATOM 121 CA SER A 19 80.822 59.892 39.983 1.00 43.14 C ATOM 122 C SER A 19 80.766 59.031 38.727 1.00 45.37 C ATOM 123 O SER A 19 80.285 59.468 37.684 1.00 44.86 O ATOM 124 CB SER A 19 82.136 60.657 39.994 1.00 42.80 C ATOM 125 OG SER A 19 83.206 59.784 39.675 1.00 46.03 O ATOM 0 H SER A 19 81.320 59.189 41.767 1.00 43.60 H new ATOM 0 HA SER A 19 80.078 60.514 39.970 1.00 43.14 H new ATOM 0 HB2 SER A 19 82.101 61.385 39.354 1.00 42.80 H new ATOM 0 HB3 SER A 19 82.281 61.054 40.867 1.00 42.80 H new ATOM 0 HG SER A 19 83.448 59.372 40.366 1.00 46.03 H new ATOM 126 N LYS A 20 81.250 57.794 38.845 1.00 45.55 N ATOM 127 CA LYS A 20 81.277 56.853 37.726 1.00 47.05 C ATOM 128 C LYS A 20 79.897 56.432 37.247 1.00 49.31 C ATOM 129 O LYS A 20 79.777 55.777 36.210 1.00 45.51 O ATOM 130 CB LYS A 20 82.078 55.600 38.111 1.00 44.61 C ATOM 131 CG LYS A 20 83.587 55.869 38.248 1.00 46.88 C ATOM 132 CD LYS A 20 84.301 54.725 38.959 1.00 51.01 C ATOM 133 CE LYS A 20 85.818 54.898 38.906 1.00 61.31 C ATOM 134 NZ LYS A 20 86.420 54.000 37.878 1.00 67.66 N ATOM 0 H LYS A 20 81.572 57.477 39.577 1.00 45.55 H new ATOM 0 HA LYS A 20 81.701 57.324 36.992 1.00 47.05 H new ATOM 0 HB2 LYS A 20 81.739 55.251 38.950 1.00 44.61 H new ATOM 0 HB3 LYS A 20 81.937 54.913 37.441 1.00 44.61 H new ATOM 0 HG2 LYS A 20 83.975 55.996 37.368 1.00 46.88 H new ATOM 0 HG3 LYS A 20 83.726 56.693 38.740 1.00 46.88 H new ATOM 0 HD2 LYS A 20 84.010 54.685 39.884 1.00 51.01 H new ATOM 0 HD3 LYS A 20 84.055 53.882 38.547 1.00 51.01 H new ATOM 0 HE2 LYS A 20 86.035 55.821 38.702 1.00 61.31 H new ATOM 0 HE3 LYS A 20 86.200 54.702 39.776 1.00 61.31 H new ATOM 0 HZ1 LYS A 20 87.302 54.116 37.863 1.00 67.66 H new ATOM 0 HZ2 LYS A 20 86.236 53.153 38.079 1.00 67.66 H new ATOM 0 HZ3 LYS A 20 86.082 54.195 37.078 1.00 67.66 H new ATOM 135 N ARG A 21 78.852 56.763 38.001 1.00 45.30 N ATOM 136 CA ARG A 21 77.525 56.320 37.591 1.00 48.80 C ATOM 137 C ARG A 21 76.895 57.380 36.707 1.00 42.99 C ATOM 138 O ARG A 21 75.792 57.191 36.203 1.00 40.74 O ATOM 139 CB ARG A 21 76.628 55.997 38.797 1.00 45.44 C ATOM 140 CG ARG A 21 77.071 54.744 39.552 1.00 49.51 C ATOM 141 CD ARG A 21 75.989 54.230 40.483 1.00 48.69 C ATOM 142 NE ARG A 21 74.681 54.259 39.829 1.00 54.63 N ATOM 143 CZ ARG A 21 74.204 53.285 39.054 1.00 55.25 C ATOM 144 NH1 ARG A 21 74.930 52.184 38.847 1.00 53.91 N ATOM 145 NH2 ARG A 21 73.003 53.415 38.491 1.00 46.23 N ATOM 0 H ARG A 21 78.886 57.225 38.726 1.00 45.30 H new ATOM 0 HA ARG A 21 77.617 55.496 37.088 1.00 48.80 H new ATOM 0 HB2 ARG A 21 76.628 56.752 39.406 1.00 45.44 H new ATOM 0 HB3 ARG A 21 75.715 55.879 38.492 1.00 45.44 H new ATOM 0 HG2 ARG A 21 77.306 54.050 38.916 1.00 49.51 H new ATOM 0 HG3 ARG A 21 77.871 54.942 40.064 1.00 49.51 H new ATOM 0 HD2 ARG A 21 76.197 53.323 40.758 1.00 48.69 H new ATOM 0 HD3 ARG A 21 75.965 54.772 41.287 1.00 48.69 H new ATOM 0 HE ARG A 21 74.186 54.951 39.953 1.00 54.63 H new ATOM 0 HH11 ARG A 21 75.704 52.104 39.213 1.00 53.91 H new ATOM 0 HH12 ARG A 21 74.624 51.555 38.347 1.00 53.91 H new ATOM 0 HH21 ARG A 21 72.538 54.126 38.628 1.00 46.23 H new ATOM 0 HH22 ARG A 21 72.693 52.788 37.990 1.00 46.23 H new ATOM 146 N SER A 22 77.611 58.483 36.503 1.00 42.40 N ATOM 147 CA SER A 22 77.101 59.573 35.674 1.00 41.53 C ATOM 148 C SER A 22 76.645 59.065 34.301 1.00 43.10 C ATOM 149 O SER A 22 77.297 58.220 33.679 1.00 43.66 O ATOM 150 CB SER A 22 78.157 60.671 35.532 1.00 46.14 C ATOM 151 OG SER A 22 78.482 61.250 36.807 1.00 47.41 O ATOM 0 H SER A 22 78.393 58.620 36.835 1.00 42.40 H new ATOM 0 HA SER A 22 76.324 59.950 36.115 1.00 41.53 H new ATOM 0 HB2 SER A 22 78.958 60.302 35.128 1.00 46.14 H new ATOM 0 HB3 SER A 22 77.830 61.362 34.934 1.00 46.14 H new ATOM 0 HG SER A 22 79.063 60.779 37.189 1.00 47.41 H new ATOM 152 N THR A 23 75.496 59.564 33.853 1.00 43.91 N ATOM 153 CA THR A 23 74.882 59.121 32.605 1.00 45.86 C ATOM 154 C THR A 23 74.921 60.210 31.527 1.00 45.16 C ATOM 155 O THR A 23 74.180 60.172 30.542 1.00 45.45 O ATOM 156 CB THR A 23 73.414 58.689 32.826 1.00 49.26 C ATOM 157 OG1 THR A 23 72.660 59.798 33.334 1.00 44.50 O ATOM 158 CG2 THR A 23 73.335 57.509 33.804 1.00 42.58 C ATOM 0 H THR A 23 75.049 60.171 34.266 1.00 43.91 H new ATOM 0 HA THR A 23 75.403 58.361 32.300 1.00 45.86 H new ATOM 0 HB THR A 23 73.041 58.405 31.977 1.00 49.26 H new ATOM 0 HG1 THR A 23 71.961 59.516 33.705 1.00 44.50 H new ATOM 0 HG21 THR A 23 72.408 57.254 33.929 1.00 42.58 H new ATOM 0 HG22 THR A 23 73.831 56.757 33.445 1.00 42.58 H new ATOM 0 HG23 THR A 23 73.716 57.770 34.657 1.00 42.58 H new ATOM 159 N CYS A 24 75.779 61.192 31.730 1.00 43.95 N ATOM 160 CA CYS A 24 76.103 62.145 30.680 1.00 46.34 C ATOM 161 C CYS A 24 77.623 62.178 30.511 1.00 46.61 C ATOM 162 O CYS A 24 78.345 62.594 31.426 1.00 41.84 O ATOM 163 CB CYS A 24 75.549 63.516 31.020 1.00 44.06 C ATOM 164 SG CYS A 24 76.119 64.860 29.985 1.00 44.49 S ATOM 0 H CYS A 24 76.189 61.327 32.474 1.00 43.95 H new ATOM 0 HA CYS A 24 75.696 61.874 29.842 1.00 46.34 H new ATOM 0 HB2 CYS A 24 74.581 63.478 30.969 1.00 44.06 H new ATOM 0 HB3 CYS A 24 75.776 63.720 31.941 1.00 44.06 H new ATOM 165 N ASN A 25 78.104 61.729 29.350 1.00 46.34 N ATOM 166 CA ASN A 25 79.539 61.549 29.145 1.00 44.44 C ATOM 167 C ASN A 25 80.326 62.849 28.977 1.00 41.64 C ATOM 168 O ASN A 25 81.519 62.818 28.722 1.00 44.64 O ATOM 169 CB ASN A 25 79.806 60.617 27.951 1.00 48.23 C ATOM 170 CG ASN A 25 79.239 61.136 26.619 1.00 46.13 C ATOM 171 OD1 ASN A 25 78.943 62.320 26.446 1.00 40.12 O ATOM 172 ND2 ASN A 25 79.115 60.228 25.663 1.00 41.81 N ATOM 0 H ASN A 25 77.617 61.524 28.672 1.00 46.34 H new ATOM 0 HA ASN A 25 79.862 61.145 29.965 1.00 44.44 H new ATOM 0 HB2 ASN A 25 80.763 60.491 27.858 1.00 48.23 H new ATOM 0 HB3 ASN A 25 79.422 59.746 28.139 1.00 48.23 H new ATOM 0 HD21 ASN A 25 78.819 60.457 24.889 1.00 41.81 H new ATOM 0 HD22 ASN A 25 79.331 59.410 25.817 1.00 41.81 H new ATOM 173 N ARG A 26 79.677 63.986 29.177 1.00 42.12 N ATOM 174 CA ARG A 26 80.377 65.270 29.151 1.00 44.41 C ATOM 175 C ARG A 26 80.906 65.682 30.534 1.00 43.47 C ATOM 176 O ARG A 26 81.684 66.626 30.645 1.00 43.82 O ATOM 177 CB ARG A 26 79.453 66.356 28.589 1.00 42.27 C ATOM 178 CG ARG A 26 79.145 66.150 27.111 1.00 45.59 C ATOM 179 CD ARG A 26 78.018 67.038 26.619 1.00 49.33 C ATOM 180 NE ARG A 26 78.381 68.454 26.569 1.00 50.16 N ATOM 181 CZ ARG A 26 78.978 69.041 25.536 1.00 51.63 C ATOM 182 NH1 ARG A 26 79.309 68.330 24.464 1.00 50.44 N ATOM 183 NH2 ARG A 26 79.250 70.339 25.579 1.00 50.15 N ATOM 0 H ARG A 26 78.832 64.041 29.330 1.00 42.12 H new ATOM 0 HA ARG A 26 81.150 65.166 28.574 1.00 44.41 H new ATOM 0 HB2 ARG A 26 78.623 66.363 29.092 1.00 42.27 H new ATOM 0 HB3 ARG A 26 79.867 67.225 28.712 1.00 42.27 H new ATOM 0 HG2 ARG A 26 79.944 66.329 26.590 1.00 45.59 H new ATOM 0 HG3 ARG A 26 78.910 65.221 26.960 1.00 45.59 H new ATOM 0 HD2 ARG A 26 77.748 66.748 25.734 1.00 49.33 H new ATOM 0 HD3 ARG A 26 77.249 66.927 27.200 1.00 49.33 H new ATOM 0 HE ARG A 26 78.196 68.940 27.254 1.00 50.16 H new ATOM 0 HH11 ARG A 26 79.137 67.488 24.437 1.00 50.44 H new ATOM 0 HH12 ARG A 26 79.695 68.712 23.797 1.00 50.44 H new ATOM 0 HH21 ARG A 26 79.040 70.799 26.274 1.00 50.15 H new ATOM 0 HH22 ARG A 26 79.636 70.720 24.912 1.00 50.15 H new ATOM 184 N ALA A 27 80.497 64.969 31.581 1.00 40.50 N ATOM 185 CA ALA A 27 80.931 65.299 32.941 1.00 42.48 C ATOM 186 C ALA A 27 80.652 64.158 33.928 1.00 42.31 C ATOM 187 O ALA A 27 79.521 63.725 34.096 1.00 42.57 O ATOM 188 CB ALA A 27 80.260 66.582 33.411 1.00 35.97 C ATOM 0 H ALA A 27 79.970 64.292 31.528 1.00 40.50 H new ATOM 0 HA ALA A 27 81.892 65.431 32.916 1.00 42.48 H new ATOM 0 HB1 ALA A 27 80.554 66.790 34.311 1.00 35.97 H new ATOM 0 HB2 ALA A 27 80.500 67.310 32.816 1.00 35.97 H new ATOM 0 HB3 ALA A 27 79.297 66.465 33.405 1.00 35.97 H new ATOM 189 N TYR A 28 81.706 63.650 34.551 1.00 44.95 N ATOM 190 CA TYR A 28 81.576 62.601 35.550 1.00 43.37 C ATOM 191 C TYR A 28 81.794 63.248 36.899 1.00 45.87 C ATOM 192 O TYR A 28 82.926 63.538 37.264 1.00 41.96 O ATOM 193 CB TYR A 28 82.576 61.461 35.277 1.00 40.38 C ATOM 194 CG TYR A 28 82.214 60.750 34.001 1.00 42.36 C ATOM 195 CD1 TYR A 28 82.655 61.218 32.757 1.00 40.93 C ATOM 196 CD2 TYR A 28 81.370 59.658 34.029 1.00 44.28 C ATOM 197 CE1 TYR A 28 82.276 60.581 31.585 1.00 45.65 C ATOM 198 CE2 TYR A 28 80.984 59.016 32.866 1.00 44.74 C ATOM 199 CZ TYR A 28 81.431 59.478 31.651 1.00 49.02 C ATOM 200 OH TYR A 28 81.024 58.809 30.518 1.00 50.55 O ATOM 0 H TYR A 28 82.515 63.903 34.407 1.00 44.95 H new ATOM 0 HA TYR A 28 80.696 62.193 35.522 1.00 43.37 H new ATOM 0 HB2 TYR A 28 83.475 61.819 35.212 1.00 40.38 H new ATOM 0 HB3 TYR A 28 82.573 60.834 36.017 1.00 40.38 H new ATOM 0 HD1 TYR A 28 83.208 61.964 32.716 1.00 40.93 H new ATOM 0 HD2 TYR A 28 81.054 59.347 34.847 1.00 44.28 H new ATOM 0 HE1 TYR A 28 82.584 60.888 30.763 1.00 45.65 H new ATOM 0 HE2 TYR A 28 80.424 58.275 32.906 1.00 44.74 H new ATOM 0 HH TYR A 28 80.521 58.172 30.734 1.00 50.55 H new ATOM 201 N VAL A 29 80.698 63.518 37.611 1.00 45.60 N ATOM 202 CA VAL A 29 80.768 64.206 38.898 1.00 44.21 C ATOM 203 C VAL A 29 80.095 63.396 40.015 1.00 44.38 C ATOM 204 O VAL A 29 79.073 62.742 39.803 1.00 42.22 O ATOM 205 CB VAL A 29 80.122 65.603 38.821 1.00 45.13 C ATOM 206 CG1 VAL A 29 80.487 66.431 40.049 1.00 42.40 C ATOM 207 CG2 VAL A 29 80.555 66.322 37.538 1.00 44.90 C ATOM 0 H VAL A 29 79.901 63.309 37.363 1.00 45.60 H new ATOM 0 HA VAL A 29 81.710 64.302 39.109 1.00 44.21 H new ATOM 0 HB VAL A 29 79.158 65.495 38.802 1.00 45.13 H new ATOM 0 HG11 VAL A 29 80.073 67.306 39.984 1.00 42.40 H new ATOM 0 HG12 VAL A 29 80.170 65.982 40.848 1.00 42.40 H new ATOM 0 HG13 VAL A 29 81.451 66.533 40.096 1.00 42.40 H new ATOM 0 HG21 VAL A 29 80.141 67.199 37.503 1.00 44.90 H new ATOM 0 HG22 VAL A 29 81.520 66.420 37.532 1.00 44.90 H new ATOM 0 HG23 VAL A 29 80.278 65.803 36.767 1.00 44.90 H new ATOM 208 N GLY A 30 80.685 63.442 41.203 1.00 40.77 N ATOM 209 CA GLY A 30 80.166 62.714 42.345 1.00 39.91 C ATOM 210 C GLY A 30 80.132 63.592 43.582 1.00 41.56 C ATOM 211 O GLY A 30 81.038 64.400 43.808 1.00 42.53 O ATOM 0 H GLY A 30 81.397 63.896 41.367 1.00 40.77 H new ATOM 0 HA2 GLY A 30 79.272 62.392 42.148 1.00 39.91 H new ATOM 0 HA3 GLY A 30 80.718 61.934 42.513 1.00 39.91 H new ATOM 212 N ALA A 31 79.082 63.436 44.381 1.00 42.66 N ATOM 213 CA ALA A 31 78.935 64.195 45.618 1.00 41.32 C ATOM 214 C ALA A 31 78.497 63.296 46.779 1.00 42.22 C ATOM 215 O ALA A 31 77.653 62.413 46.622 1.00 41.40 O ATOM 216 CB ALA A 31 77.959 65.317 45.422 1.00 37.54 C ATOM 0 H ALA A 31 78.437 62.890 44.223 1.00 42.66 H new ATOM 0 HA ALA A 31 79.801 64.567 45.847 1.00 41.32 H new ATOM 0 HB1 ALA A 31 77.868 65.815 46.249 1.00 37.54 H new ATOM 0 HB2 ALA A 31 78.281 65.908 44.723 1.00 37.54 H new ATOM 0 HB3 ALA A 31 77.096 64.955 45.167 1.00 37.54 H new ATOM 217 N VAL A 32 79.100 63.534 47.938 1.00 40.71 N ATOM 218 CA VAL A 32 78.847 62.778 49.154 1.00 40.37 C ATOM 219 C VAL A 32 78.576 63.740 50.312 1.00 44.41 C ATOM 220 O VAL A 32 79.465 64.529 50.693 1.00 41.55 O ATOM 221 CB VAL A 32 80.045 61.858 49.505 1.00 43.91 C ATOM 222 CG1 VAL A 32 79.805 61.102 50.804 1.00 44.63 C ATOM 223 CG2 VAL A 32 80.295 60.875 48.392 1.00 44.05 C ATOM 0 H VAL A 32 79.684 64.157 48.040 1.00 40.71 H new ATOM 0 HA VAL A 32 78.070 62.217 49.005 1.00 40.37 H new ATOM 0 HB VAL A 32 80.824 62.425 49.619 1.00 43.91 H new ATOM 0 HG11 VAL A 32 80.570 60.537 50.996 1.00 44.63 H new ATOM 0 HG12 VAL A 32 79.681 61.735 51.529 1.00 44.63 H new ATOM 0 HG13 VAL A 32 79.011 60.552 50.717 1.00 44.63 H new ATOM 0 HG21 VAL A 32 81.046 60.307 48.625 1.00 44.05 H new ATOM 0 HG22 VAL A 32 79.505 60.328 48.260 1.00 44.05 H new ATOM 0 HG23 VAL A 32 80.495 61.356 47.574 1.00 44.05 H new ATOM 224 N LEU A 33 77.348 63.691 50.845 1.00 38.43 N ATOM 225 CA LEU A 33 76.952 64.501 52.006 1.00 40.97 C ATOM 226 C LEU A 33 77.190 63.735 53.305 1.00 39.17 C ATOM 227 O LEU A 33 76.824 62.578 53.429 1.00 35.45 O ATOM 228 CB LEU A 33 75.481 64.915 51.932 1.00 40.26 C ATOM 229 CG LEU A 33 75.038 66.216 51.267 1.00 44.28 C ATOM 230 CD1 LEU A 33 73.540 66.431 51.520 1.00 44.64 C ATOM 231 CD2 LEU A 33 75.844 67.420 51.750 1.00 40.64 C ATOM 0 H LEU A 33 76.721 63.186 50.543 1.00 38.43 H new ATOM 0 HA LEU A 33 77.500 65.301 51.993 1.00 40.97 H new ATOM 0 HB2 LEU A 33 75.011 64.196 51.481 1.00 40.26 H new ATOM 0 HB3 LEU A 33 75.152 64.941 52.844 1.00 40.26 H new ATOM 0 HG LEU A 33 75.203 66.137 50.314 1.00 44.28 H new ATOM 0 HD11 LEU A 33 73.256 67.257 51.099 1.00 44.64 H new ATOM 0 HD12 LEU A 33 73.039 65.689 51.147 1.00 44.64 H new ATOM 0 HD13 LEU A 33 73.377 66.483 52.475 1.00 44.64 H new ATOM 0 HD21 LEU A 33 75.529 68.221 51.303 1.00 40.64 H new ATOM 0 HD22 LEU A 33 75.733 67.521 52.708 1.00 40.64 H new ATOM 0 HD23 LEU A 33 76.783 67.284 51.546 1.00 40.64 H new ATOM 232 N VAL A 34 77.799 64.391 54.280 1.00 38.76 N ATOM 233 CA VAL A 34 78.272 63.683 55.452 1.00 36.65 C ATOM 234 C VAL A 34 77.876 64.433 56.717 1.00 40.16 C ATOM 235 O VAL A 34 77.997 65.668 56.796 1.00 40.89 O ATOM 236 CB VAL A 34 79.808 63.485 55.391 1.00 41.33 C ATOM 237 CG1 VAL A 34 80.359 62.949 56.714 1.00 39.17 C ATOM 238 CG2 VAL A 34 80.187 62.568 54.219 1.00 35.46 C ATOM 0 H VAL A 34 77.947 65.238 54.282 1.00 38.76 H new ATOM 0 HA VAL A 34 77.857 62.807 55.470 1.00 36.65 H new ATOM 0 HB VAL A 34 80.215 64.353 55.242 1.00 41.33 H new ATOM 0 HG11 VAL A 34 81.320 62.837 56.643 1.00 39.17 H new ATOM 0 HG12 VAL A 34 80.159 63.577 57.426 1.00 39.17 H new ATOM 0 HG13 VAL A 34 79.948 62.093 56.913 1.00 39.17 H new ATOM 0 HG21 VAL A 34 81.150 62.455 54.195 1.00 35.46 H new ATOM 0 HG22 VAL A 34 79.763 61.703 54.334 1.00 35.46 H new ATOM 0 HG23 VAL A 34 79.888 62.966 53.387 1.00 35.46 H new ATOM 239 N LYS A 35 77.365 63.681 57.687 1.00 38.17 N ATOM 240 CA LYS A 35 77.062 64.213 59.016 1.00 45.82 C ATOM 241 C LYS A 35 77.648 63.279 60.070 1.00 42.89 C ATOM 242 O LYS A 35 77.323 62.091 60.082 1.00 41.62 O ATOM 243 CB LYS A 35 75.556 64.354 59.216 1.00 41.06 C ATOM 244 CG LYS A 35 75.166 65.066 60.499 1.00 44.82 C ATOM 245 CD LYS A 35 73.694 65.423 60.458 1.00 53.86 C ATOM 246 CE LYS A 35 73.288 66.319 61.617 1.00 69.96 C ATOM 247 NZ LYS A 35 71.866 66.786 61.466 1.00 70.66 N ATOM 0 H LYS A 35 77.183 62.846 57.595 1.00 38.17 H new ATOM 0 HA LYS A 35 77.457 65.095 59.102 1.00 45.82 H new ATOM 0 HB2 LYS A 35 75.183 64.838 58.463 1.00 41.06 H new ATOM 0 HB3 LYS A 35 75.155 63.471 59.213 1.00 41.06 H new ATOM 0 HG2 LYS A 35 75.349 64.497 61.263 1.00 44.82 H new ATOM 0 HG3 LYS A 35 75.700 65.869 60.609 1.00 44.82 H new ATOM 0 HD2 LYS A 35 73.494 65.870 59.621 1.00 53.86 H new ATOM 0 HD3 LYS A 35 73.165 64.610 60.479 1.00 53.86 H new ATOM 0 HE2 LYS A 35 73.386 65.837 62.453 1.00 69.96 H new ATOM 0 HE3 LYS A 35 73.881 67.086 61.660 1.00 69.96 H new ATOM 0 HZ1 LYS A 35 71.650 67.308 62.154 1.00 70.66 H new ATOM 0 HZ2 LYS A 35 71.783 67.245 60.708 1.00 70.66 H new ATOM 0 HZ3 LYS A 35 71.322 66.082 61.447 1.00 70.66 H new ATOM 248 N ASN A 36 78.515 63.812 60.930 1.00 43.54 N ATOM 249 CA ASN A 36 79.211 63.009 61.944 1.00 45.63 C ATOM 250 C ASN A 36 79.870 61.752 61.362 1.00 45.84 C ATOM 251 O ASN A 36 79.654 60.644 61.861 1.00 43.41 O ATOM 252 CB ASN A 36 78.237 62.605 63.054 1.00 43.23 C ATOM 253 CG ASN A 36 77.547 63.798 63.685 1.00 53.88 C ATOM 254 OD1 ASN A 36 78.168 64.847 63.902 1.00 53.54 O ATOM 255 ND2 ASN A 36 76.252 63.651 63.981 1.00 53.53 N ATOM 0 H ASN A 36 78.718 64.648 60.944 1.00 43.54 H new ATOM 0 HA ASN A 36 79.919 63.567 62.303 1.00 45.63 H new ATOM 0 HB2 ASN A 36 77.568 62.004 62.690 1.00 43.23 H new ATOM 0 HB3 ASN A 36 78.718 62.114 63.739 1.00 43.23 H new ATOM 0 HD21 ASN A 36 75.816 64.301 64.337 1.00 53.53 H new ATOM 0 HD22 ASN A 36 75.855 62.906 63.815 1.00 53.53 H new ATOM 256 N ASN A 37 80.636 61.929 60.289 1.00 43.13 N ATOM 257 CA ASN A 37 81.300 60.821 59.592 1.00 43.46 C ATOM 258 C ASN A 37 80.397 59.693 59.107 1.00 42.17 C ATOM 259 O ASN A 37 80.851 58.561 58.956 1.00 44.43 O ATOM 260 CB ASN A 37 82.389 60.228 60.482 1.00 48.74 C ATOM 261 CG ASN A 37 83.523 61.201 60.723 1.00 51.03 C ATOM 262 OD1 ASN A 37 83.852 62.015 59.854 1.00 52.71 O ATOM 263 ND2 ASN A 37 84.111 61.143 61.908 1.00 51.28 N ATOM 0 H ASN A 37 80.788 62.700 59.940 1.00 43.13 H new ATOM 0 HA ASN A 37 81.660 61.227 58.788 1.00 43.46 H new ATOM 0 HB2 ASN A 37 82.003 59.967 61.333 1.00 48.74 H new ATOM 0 HB3 ASN A 37 82.738 59.422 60.070 1.00 48.74 H new ATOM 0 HD21 ASN A 37 84.750 61.686 62.098 1.00 51.28 H new ATOM 0 HD22 ASN A 37 83.854 60.562 62.488 1.00 51.28 H new ATOM 264 N ARG A 38 79.126 59.999 58.854 1.00 44.68 N ATOM 265 CA ARG A 38 78.238 59.071 58.150 1.00 39.19 C ATOM 266 C ARG A 38 77.800 59.673 56.825 1.00 39.24 C ATOM 267 O ARG A 38 77.503 60.870 56.749 1.00 38.44 O ATOM 268 CB ARG A 38 76.997 58.742 58.976 1.00 41.19 C ATOM 269 CG ARG A 38 77.268 58.173 60.364 1.00 45.54 C ATOM 270 CD ARG A 38 75.949 58.003 61.133 1.00 41.97 C ATOM 271 NE ARG A 38 75.238 59.269 61.305 1.00 55.60 N ATOM 272 CZ ARG A 38 74.123 59.616 60.649 1.00 60.28 C ATOM 273 NH1 ARG A 38 73.563 58.779 59.761 1.00 47.85 N ATOM 274 NH2 ARG A 38 73.556 60.800 60.890 1.00 46.17 N ATOM 0 H ARG A 38 78.756 60.741 59.082 1.00 44.68 H new ATOM 0 HA ARG A 38 78.736 58.252 57.999 1.00 39.19 H new ATOM 0 HB2 ARG A 38 76.467 59.549 59.072 1.00 41.19 H new ATOM 0 HB3 ARG A 38 76.457 58.105 58.482 1.00 41.19 H new ATOM 0 HG2 ARG A 38 77.719 57.317 60.288 1.00 45.54 H new ATOM 0 HG3 ARG A 38 77.862 58.764 60.853 1.00 45.54 H new ATOM 0 HD2 ARG A 38 75.380 57.377 60.659 1.00 41.97 H new ATOM 0 HD3 ARG A 38 76.132 57.617 62.004 1.00 41.97 H new ATOM 0 HE ARG A 38 75.560 59.833 61.869 1.00 55.60 H new ATOM 0 HH11 ARG A 38 73.920 58.012 59.609 1.00 47.85 H new ATOM 0 HH12 ARG A 38 72.847 59.010 59.344 1.00 47.85 H new ATOM 0 HH21 ARG A 38 73.907 61.336 61.464 1.00 46.17 H new ATOM 0 HH22 ARG A 38 72.840 61.027 60.471 1.00 46.17 H new ATOM 275 N ILE A 39 77.775 58.851 55.784 1.00 35.84 N ATOM 276 CA ILE A 39 77.205 59.255 54.516 1.00 42.12 C ATOM 277 C ILE A 39 75.697 59.309 54.644 1.00 43.78 C ATOM 278 O ILE A 39 75.075 58.291 54.930 1.00 48.29 O ATOM 279 CB ILE A 39 77.581 58.286 53.382 1.00 41.31 C ATOM 280 CG1 ILE A 39 79.072 58.415 53.074 1.00 42.53 C ATOM 281 CG2 ILE A 39 76.725 58.565 52.150 1.00 37.14 C ATOM 282 CD1 ILE A 39 79.616 57.324 52.155 1.00 47.18 C ATOM 0 H ILE A 39 78.087 58.050 55.796 1.00 35.84 H new ATOM 0 HA ILE A 39 77.563 60.129 54.293 1.00 42.12 H new ATOM 0 HB ILE A 39 77.408 57.373 53.659 1.00 41.31 H new ATOM 0 HG12 ILE A 39 79.234 59.279 52.665 1.00 42.53 H new ATOM 0 HG13 ILE A 39 79.567 58.398 53.908 1.00 42.53 H new ATOM 0 HG21 ILE A 39 76.969 57.950 51.440 1.00 37.14 H new ATOM 0 HG22 ILE A 39 75.788 58.446 52.373 1.00 37.14 H new ATOM 0 HG23 ILE A 39 76.873 59.476 51.852 1.00 37.14 H new ATOM 0 HD11 ILE A 39 80.563 57.470 52.005 1.00 47.18 H new ATOM 0 HD12 ILE A 39 79.485 56.457 52.569 1.00 47.18 H new ATOM 0 HD13 ILE A 39 79.146 57.351 51.307 1.00 47.18 H new ATOM 283 N ILE A 40 75.092 60.479 54.447 1.00 38.16 N ATOM 284 CA ILE A 40 73.642 60.540 54.548 1.00 37.65 C ATOM 285 C ILE A 40 72.959 60.622 53.183 1.00 38.92 C ATOM 286 O ILE A 40 71.777 60.291 53.065 1.00 39.69 O ATOM 287 CB ILE A 40 73.189 61.714 55.414 1.00 43.20 C ATOM 288 CG1 ILE A 40 73.539 63.039 54.744 1.00 41.38 C ATOM 289 CG2 ILE A 40 73.830 61.623 56.810 1.00 43.92 C ATOM 290 CD1 ILE A 40 72.861 64.204 55.376 1.00 38.03 C ATOM 0 H ILE A 40 75.486 61.220 54.261 1.00 38.16 H new ATOM 0 HA ILE A 40 73.372 59.709 54.969 1.00 37.65 H new ATOM 0 HB ILE A 40 72.225 61.672 55.515 1.00 43.20 H new ATOM 0 HG12 ILE A 40 74.499 63.171 54.780 1.00 41.38 H new ATOM 0 HG13 ILE A 40 73.293 62.997 53.807 1.00 41.38 H new ATOM 0 HG21 ILE A 40 73.536 62.373 57.351 1.00 43.92 H new ATOM 0 HG22 ILE A 40 73.563 60.793 57.235 1.00 43.92 H new ATOM 0 HG23 ILE A 40 74.796 61.646 56.725 1.00 43.92 H new ATOM 0 HD11 ILE A 40 73.117 65.017 54.914 1.00 38.03 H new ATOM 0 HD12 ILE A 40 71.900 64.089 55.319 1.00 38.03 H new ATOM 0 HD13 ILE A 40 73.124 64.266 56.308 1.00 38.03 H new ATOM 291 N ALA A 41 73.704 61.045 52.162 1.00 37.57 N ATOM 292 CA ALA A 41 73.182 61.149 50.801 1.00 39.68 C ATOM 293 C ALA A 41 74.312 61.237 49.783 1.00 42.83 C ATOM 294 O ALA A 41 75.401 61.736 50.092 1.00 40.90 O ATOM 295 CB ALA A 41 72.257 62.369 50.668 1.00 36.54 C ATOM 0 H ALA A 41 74.528 61.280 52.240 1.00 37.57 H new ATOM 0 HA ALA A 41 72.670 60.345 50.619 1.00 39.68 H new ATOM 0 HB1 ALA A 41 71.920 62.423 49.760 1.00 36.54 H new ATOM 0 HB2 ALA A 41 71.513 62.280 51.284 1.00 36.54 H new ATOM 0 HB3 ALA A 41 72.753 63.176 50.876 1.00 36.54 H new ATOM 296 N THR A 42 74.059 60.755 48.568 1.00 40.71 N ATOM 297 CA THR A 42 75.022 60.934 47.485 1.00 37.86 C ATOM 298 C THR A 42 74.335 61.371 46.204 1.00 41.61 C ATOM 299 O THR A 42 73.139 61.120 45.984 1.00 38.51 O ATOM 300 CB THR A 42 75.838 59.641 47.191 1.00 43.61 C ATOM 301 OG1 THR A 42 74.969 58.622 46.682 1.00 49.28 O ATOM 302 CG2 THR A 42 76.537 59.121 48.441 1.00 43.22 C ATOM 0 H THR A 42 73.345 60.327 48.352 1.00 40.71 H new ATOM 0 HA THR A 42 75.632 61.625 47.787 1.00 37.86 H new ATOM 0 HB THR A 42 76.514 59.865 46.533 1.00 43.61 H new ATOM 0 HG1 THR A 42 75.414 57.927 46.524 1.00 49.28 H new ATOM 0 HG21 THR A 42 77.035 58.317 48.223 1.00 43.22 H new ATOM 0 HG22 THR A 42 77.146 59.797 48.776 1.00 43.22 H new ATOM 0 HG23 THR A 42 75.876 58.917 49.121 1.00 43.22 H new ATOM 303 N GLY A 43 75.101 62.026 45.344 1.00 41.75 N ATOM 304 CA GLY A 43 74.598 62.407 44.042 1.00 40.19 C ATOM 305 C GLY A 43 75.607 62.114 42.951 1.00 42.99 C ATOM 306 O GLY A 43 76.818 62.107 43.190 1.00 41.25 O ATOM 0 H GLY A 43 75.915 62.258 45.498 1.00 41.75 H new ATOM 0 HA2 GLY A 43 73.774 61.929 43.859 1.00 40.19 H new ATOM 0 HA3 GLY A 43 74.383 63.353 44.041 1.00 40.19 H new ATOM 307 N TYR A 44 75.114 61.859 41.747 1.00 38.39 N ATOM 308 CA TYR A 44 75.994 61.857 40.589 1.00 40.26 C ATOM 309 C TYR A 44 75.334 62.659 39.496 1.00 40.92 C ATOM 310 O TYR A 44 74.224 63.148 39.680 1.00 42.88 O ATOM 311 CB TYR A 44 76.322 60.447 40.125 1.00 38.26 C ATOM 312 CG TYR A 44 75.160 59.511 39.882 1.00 42.13 C ATOM 313 CD1 TYR A 44 74.552 59.430 38.628 1.00 40.73 C ATOM 314 CD2 TYR A 44 74.706 58.659 40.888 1.00 40.35 C ATOM 315 CE1 TYR A 44 73.522 58.535 38.387 1.00 42.48 C ATOM 316 CE2 TYR A 44 73.674 57.759 40.658 1.00 40.75 C ATOM 317 CZ TYR A 44 73.089 57.698 39.405 1.00 42.29 C ATOM 318 OH TYR A 44 72.066 56.814 39.181 1.00 41.26 O ATOM 0 H TYR A 44 74.288 61.688 41.580 1.00 38.39 H new ATOM 0 HA TYR A 44 76.842 62.261 40.829 1.00 40.26 H new ATOM 0 HB2 TYR A 44 76.832 60.512 39.303 1.00 38.26 H new ATOM 0 HB3 TYR A 44 76.902 60.040 40.787 1.00 38.26 H new ATOM 0 HD1 TYR A 44 74.843 59.987 37.942 1.00 40.73 H new ATOM 0 HD2 TYR A 44 75.102 58.694 41.729 1.00 40.35 H new ATOM 0 HE1 TYR A 44 73.123 58.496 37.548 1.00 42.48 H new ATOM 0 HE2 TYR A 44 73.378 57.201 41.341 1.00 40.75 H new ATOM 0 HH TYR A 44 71.881 56.801 38.362 1.00 41.26 H new ATOM 319 N ASN A 45 76.023 62.824 38.376 1.00 38.57 N ATOM 320 CA ASN A 45 75.514 63.657 37.305 1.00 40.73 C ATOM 321 C ASN A 45 74.548 62.842 36.462 1.00 43.12 C ATOM 322 O ASN A 45 74.960 61.915 35.777 1.00 43.10 O ATOM 323 CB ASN A 45 76.665 64.197 36.455 1.00 43.87 C ATOM 324 CG ASN A 45 76.221 65.290 35.492 1.00 46.88 C ATOM 325 OD1 ASN A 45 75.356 66.101 35.814 1.00 47.66 O ATOM 326 ND2 ASN A 45 76.812 65.312 34.299 1.00 46.17 N ATOM 0 H ASN A 45 76.787 62.462 38.219 1.00 38.57 H new ATOM 0 HA ASN A 45 75.044 64.419 37.678 1.00 40.73 H new ATOM 0 HB2 ASN A 45 77.357 64.546 37.038 1.00 43.87 H new ATOM 0 HB3 ASN A 45 77.060 63.468 35.951 1.00 43.87 H new ATOM 0 HD21 ASN A 45 76.592 65.909 33.721 1.00 46.17 H new ATOM 0 HD22 ASN A 45 77.414 64.729 34.107 1.00 46.17 H new ATOM 327 N GLY A 46 73.257 63.157 36.532 1.00 41.78 N ATOM 328 CA GLY A 46 72.258 62.308 35.901 1.00 37.51 C ATOM 329 C GLY A 46 70.946 63.011 35.604 1.00 39.51 C ATOM 330 O GLY A 46 70.644 64.065 36.167 1.00 40.67 O ATOM 0 H GLY A 46 72.944 63.849 36.935 1.00 41.78 H new ATOM 0 HA2 GLY A 46 72.621 61.958 35.072 1.00 37.51 H new ATOM 0 HA3 GLY A 46 72.083 61.548 36.477 1.00 37.51 H new ATOM 331 N GLY A 47 70.155 62.434 34.709 1.00 41.67 N ATOM 332 CA GLY A 47 68.898 63.059 34.349 1.00 43.35 C ATOM 333 C GLY A 47 67.894 62.774 35.445 1.00 44.35 C ATOM 334 O GLY A 47 68.148 61.918 36.291 1.00 48.22 O ATOM 0 H GLY A 47 70.326 61.694 34.306 1.00 41.67 H new ATOM 0 HA2 GLY A 47 69.016 64.016 34.239 1.00 43.35 H new ATOM 0 HA3 GLY A 47 68.579 62.713 33.501 1.00 43.35 H new ATOM 335 N VAL A 48 66.768 63.484 35.433 1.00 42.12 N ATOM 336 CA VAL A 48 65.656 63.201 36.337 1.00 47.05 C ATOM 337 C VAL A 48 65.321 61.710 36.351 1.00 45.87 C ATOM 338 O VAL A 48 65.255 61.071 35.295 1.00 46.45 O ATOM 339 CB VAL A 48 64.403 64.015 35.935 1.00 46.46 C ATOM 340 CG1 VAL A 48 63.167 63.517 36.660 1.00 40.25 C ATOM 341 CG2 VAL A 48 64.632 65.509 36.195 1.00 44.54 C ATOM 0 H VAL A 48 66.627 64.144 34.900 1.00 42.12 H new ATOM 0 HA VAL A 48 65.931 63.464 37.229 1.00 47.05 H new ATOM 0 HB VAL A 48 64.252 63.890 34.985 1.00 46.46 H new ATOM 0 HG11 VAL A 48 62.399 64.044 36.390 1.00 40.25 H new ATOM 0 HG12 VAL A 48 63.014 62.585 36.437 1.00 40.25 H new ATOM 0 HG13 VAL A 48 63.297 63.603 37.617 1.00 40.25 H new ATOM 0 HG21 VAL A 48 63.840 66.007 35.939 1.00 44.54 H new ATOM 0 HG22 VAL A 48 64.811 65.650 37.138 1.00 44.54 H new ATOM 0 HG23 VAL A 48 65.390 65.816 35.673 1.00 44.54 H new ATOM 342 N ALA A 49 65.127 61.164 37.549 1.00 42.01 N ATOM 343 CA ALA A 49 64.825 59.739 37.720 1.00 50.34 C ATOM 344 C ALA A 49 63.633 59.303 36.865 1.00 50.31 C ATOM 345 O ALA A 49 62.649 60.042 36.736 1.00 47.14 O ATOM 346 CB ALA A 49 64.566 59.422 39.199 1.00 42.61 C ATOM 0 H ALA A 49 65.166 61.606 38.286 1.00 42.01 H new ATOM 0 HA ALA A 49 65.599 59.238 37.419 1.00 50.34 H new ATOM 0 HB1 ALA A 49 64.368 58.478 39.298 1.00 42.61 H new ATOM 0 HB2 ALA A 49 65.354 59.643 39.720 1.00 42.61 H new ATOM 0 HB3 ALA A 49 63.813 59.945 39.515 1.00 42.61 H new ATOM 347 N ASP A 50 63.749 58.110 36.275 1.00 51.02 N ATOM 348 CA ASP A 50 62.714 57.523 35.414 1.00 50.67 C ATOM 349 C ASP A 50 62.374 58.387 34.193 1.00 52.84 C ATOM 350 O ASP A 50 61.225 58.430 33.758 1.00 54.77 O ATOM 351 CB ASP A 50 61.440 57.257 36.216 1.00 53.91 C ATOM 352 CG ASP A 50 61.666 56.299 37.378 1.00 68.90 C ATOM 353 OD1 ASP A 50 62.769 55.702 37.479 1.00 68.99 O ATOM 354 OD2 ASP A 50 60.731 56.146 38.198 1.00 78.69 O ATOM 0 H ASP A 50 64.443 57.610 36.365 1.00 51.02 H new ATOM 0 HA ASP A 50 63.084 56.690 35.082 1.00 50.67 H new ATOM 0 HB2 ASP A 50 61.096 58.097 36.557 1.00 53.91 H new ATOM 0 HB3 ASP A 50 60.762 56.891 35.627 1.00 53.91 H new ATOM 355 N THR A 51 63.366 59.109 33.682 1.00 50.06 N ATOM 356 CA THR A 51 63.262 59.769 32.390 1.00 52.59 C ATOM 357 C THR A 51 64.488 59.354 31.580 1.00 56.33 C ATOM 358 O THR A 51 65.307 58.558 32.046 1.00 58.78 O ATOM 359 CB THR A 51 63.174 61.323 32.505 1.00 50.57 C ATOM 360 OG1 THR A 51 64.443 61.870 32.886 1.00 48.89 O ATOM 361 CG2 THR A 51 62.111 61.743 33.525 1.00 49.23 C ATOM 0 H THR A 51 64.120 59.229 34.078 1.00 50.06 H new ATOM 0 HA THR A 51 62.438 59.497 31.956 1.00 52.59 H new ATOM 0 HB THR A 51 62.922 61.668 31.634 1.00 50.57 H new ATOM 0 HG1 THR A 51 64.696 61.516 33.605 1.00 48.89 H new ATOM 0 HG21 THR A 51 62.077 62.711 33.577 1.00 49.23 H new ATOM 0 HG22 THR A 51 61.245 61.404 33.249 1.00 49.23 H new ATOM 0 HG23 THR A 51 62.337 61.381 34.396 1.00 49.23 H new ATOM 362 N ASP A 52 64.614 59.885 30.372 1.00 57.17 N ATOM 363 CA ASP A 52 65.722 59.531 29.490 1.00 57.41 C ATOM 364 C ASP A 52 67.053 60.065 29.983 1.00 51.33 C ATOM 365 O ASP A 52 67.133 61.187 30.486 1.00 52.21 O ATOM 366 CB ASP A 52 65.460 60.055 28.080 1.00 58.88 C ATOM 367 CG ASP A 52 64.207 59.463 27.464 1.00 62.14 C ATOM 368 OD1 ASP A 52 63.972 58.245 27.661 1.00 54.90 O ATOM 369 OD2 ASP A 52 63.465 60.223 26.795 1.00 64.17 O ATOM 0 H ASP A 52 64.065 60.457 30.040 1.00 57.17 H new ATOM 0 HA ASP A 52 65.777 58.563 29.484 1.00 57.41 H new ATOM 0 HB2 ASP A 52 65.378 61.021 28.107 1.00 58.88 H new ATOM 0 HB3 ASP A 52 66.222 59.851 27.515 1.00 58.88 H new ATOM 370 N ASN A 53 68.096 59.253 29.838 1.00 49.31 N ATOM 371 CA ASN A 53 69.459 59.704 30.114 1.00 52.70 C ATOM 372 C ASN A 53 70.206 59.942 28.802 1.00 54.34 C ATOM 373 O ASN A 53 69.850 59.361 27.779 1.00 51.84 O ATOM 374 CB ASN A 53 70.205 58.689 30.989 1.00 50.09 C ATOM 375 CG ASN A 53 69.632 58.604 32.406 1.00 54.05 C ATOM 376 OD1 ASN A 53 69.357 59.630 33.047 1.00 51.62 O ATOM 377 ND2 ASN A 53 69.447 57.377 32.898 1.00 49.12 N ATOM 0 H ASN A 53 68.037 58.435 29.580 1.00 49.31 H new ATOM 0 HA ASN A 53 69.415 60.540 30.603 1.00 52.70 H new ATOM 0 HB2 ASN A 53 70.162 57.814 30.573 1.00 50.09 H new ATOM 0 HB3 ASN A 53 71.142 58.934 31.036 1.00 50.09 H new ATOM 0 HD21 ASN A 53 69.125 57.275 33.689 1.00 49.12 H new ATOM 0 HD22 ASN A 53 69.649 56.689 32.424 1.00 49.12 H new ATOM 378 N CYS A 54 71.219 60.808 28.830 1.00 48.49 N ATOM 379 CA CYS A 54 72.011 61.099 27.641 1.00 47.52 C ATOM 380 C CYS A 54 72.635 59.845 27.032 1.00 50.37 C ATOM 381 O CYS A 54 72.696 59.720 25.816 1.00 54.43 O ATOM 382 CB CYS A 54 73.119 62.096 27.972 1.00 45.34 C ATOM 383 SG CYS A 54 72.530 63.576 28.764 1.00 44.56 S ATOM 0 H CYS A 54 71.463 61.239 29.533 1.00 48.49 H new ATOM 0 HA CYS A 54 71.402 61.478 26.988 1.00 47.52 H new ATOM 0 HB2 CYS A 54 73.769 61.666 28.549 1.00 45.34 H new ATOM 0 HB3 CYS A 54 73.582 62.338 27.154 1.00 45.34 H new ATOM 384 N ASP A 55 73.120 58.940 27.884 1.00 51.21 N ATOM 385 CA ASP A 55 73.707 57.669 27.448 1.00 52.15 C ATOM 386 C ASP A 55 72.815 56.927 26.458 1.00 52.18 C ATOM 387 O ASP A 55 73.305 56.172 25.619 1.00 53.59 O ATOM 388 CB ASP A 55 73.963 56.736 28.643 1.00 49.97 C ATOM 389 CG ASP A 55 75.153 57.157 29.500 1.00 54.24 C ATOM 390 OD1 ASP A 55 75.968 58.029 29.086 1.00 45.83 O ATOM 391 OD2 ASP A 55 75.278 56.566 30.596 1.00 53.75 O ATOM 0 H ASP A 55 73.118 59.047 28.737 1.00 51.21 H new ATOM 0 HA ASP A 55 74.543 57.900 27.014 1.00 52.15 H new ATOM 0 HB2 ASP A 55 73.168 56.707 29.198 1.00 49.97 H new ATOM 0 HB3 ASP A 55 74.112 55.835 28.315 1.00 49.97 H new ATOM 392 N ASP A 56 71.506 57.132 26.582 1.00 50.86 N ATOM 393 CA ASP A 56 70.532 56.371 25.820 1.00 50.99 C ATOM 394 C ASP A 56 69.946 57.157 24.637 1.00 54.45 C ATOM 395 O ASP A 56 69.743 56.591 23.565 1.00 52.11 O ATOM 396 CB ASP A 56 69.390 55.907 26.732 1.00 51.60 C ATOM 397 CG ASP A 56 69.853 54.965 27.850 1.00 54.73 C ATOM 398 OD1 ASP A 56 70.813 54.191 27.644 1.00 58.89 O ATOM 399 OD2 ASP A 56 69.246 55.011 28.948 1.00 54.92 O ATOM 0 H ASP A 56 71.162 57.716 27.111 1.00 50.86 H new ATOM 0 HA ASP A 56 71.006 55.607 25.456 1.00 50.99 H new ATOM 0 HB2 ASP A 56 68.964 56.684 27.127 1.00 51.60 H new ATOM 0 HB3 ASP A 56 68.718 55.457 26.196 1.00 51.60 H new ATOM 400 N VAL A 57 69.660 58.445 24.829 1.00 50.48 N ATOM 401 CA VAL A 57 68.930 59.216 23.815 1.00 50.06 C ATOM 402 C VAL A 57 69.684 60.446 23.330 1.00 50.36 C ATOM 403 O VAL A 57 69.124 61.263 22.609 1.00 49.73 O ATOM 404 CB VAL A 57 67.550 59.691 24.330 1.00 50.23 C ATOM 405 CG1 VAL A 57 66.723 58.514 24.854 1.00 48.15 C ATOM 406 CG2 VAL A 57 67.718 60.764 25.397 1.00 50.83 C ATOM 0 H VAL A 57 69.877 58.890 25.532 1.00 50.48 H new ATOM 0 HA VAL A 57 68.824 58.597 23.076 1.00 50.06 H new ATOM 0 HB VAL A 57 67.066 60.080 23.585 1.00 50.23 H new ATOM 0 HG11 VAL A 57 65.865 58.837 25.170 1.00 48.15 H new ATOM 0 HG12 VAL A 57 66.584 57.873 24.140 1.00 48.15 H new ATOM 0 HG13 VAL A 57 67.196 58.086 25.585 1.00 48.15 H new ATOM 0 HG21 VAL A 57 66.845 61.050 25.709 1.00 50.83 H new ATOM 0 HG22 VAL A 57 68.224 60.404 26.142 1.00 50.83 H new ATOM 0 HG23 VAL A 57 68.192 61.523 25.021 1.00 50.83 H new ATOM 407 N GLY A 58 70.948 60.577 23.728 1.00 47.52 N ATOM 408 CA GLY A 58 71.742 61.734 23.372 1.00 40.61 C ATOM 409 C GLY A 58 71.594 62.877 24.367 1.00 51.23 C ATOM 410 O GLY A 58 70.734 62.854 25.244 1.00 49.16 O ATOM 0 H GLY A 58 71.362 59.997 24.210 1.00 47.52 H new ATOM 0 HA2 GLY A 58 72.676 61.477 23.317 1.00 40.61 H new ATOM 0 HA3 GLY A 58 71.481 62.042 22.490 1.00 40.61 H new ATOM 411 N HIS A 59 72.444 63.886 24.231 1.00 47.90 N ATOM 412 CA HIS A 59 72.392 65.036 25.111 1.00 49.27 C ATOM 413 C HIS A 59 71.242 65.962 24.743 1.00 49.90 C ATOM 414 O HIS A 59 70.714 65.913 23.633 1.00 54.50 O ATOM 415 CB HIS A 59 73.707 65.822 25.060 1.00 47.93 C ATOM 416 CG HIS A 59 74.925 64.996 25.321 1.00 51.02 C ATOM 417 ND1 HIS A 59 75.711 64.481 24.308 1.00 52.99 N ATOM 418 CD2 HIS A 59 75.503 64.607 26.483 1.00 47.46 C ATOM 419 CE1 HIS A 59 76.719 63.811 24.838 1.00 54.70 C ATOM 420 NE2 HIS A 59 76.615 63.872 26.156 1.00 53.28 N ATOM 0 H HIS A 59 73.060 63.921 23.632 1.00 47.90 H new ATOM 0 HA HIS A 59 72.251 64.702 26.011 1.00 49.27 H new ATOM 0 HB2 HIS A 59 73.791 66.237 24.187 1.00 47.93 H new ATOM 0 HB3 HIS A 59 73.669 66.539 25.712 1.00 47.93 H new ATOM 0 HD2 HIS A 59 75.203 64.802 27.341 1.00 47.46 H new ATOM 0 HE1 HIS A 59 77.388 63.371 24.365 1.00 54.70 H new ATOM 0 HE2 HIS A 59 77.157 63.510 26.717 1.00 53.28 H new ATOM 421 N GLU A 60 70.867 66.817 25.683 1.00 48.28 N ATOM 422 CA GLU A 60 69.918 67.889 25.414 1.00 51.23 C ATOM 423 C GLU A 60 70.707 69.184 25.353 1.00 52.46 C ATOM 424 O GLU A 60 70.906 69.847 26.377 1.00 53.63 O ATOM 425 CB GLU A 60 68.838 67.959 26.496 1.00 51.43 C ATOM 426 CG GLU A 60 67.723 68.942 26.202 1.00 54.35 C ATOM 427 CD GLU A 60 66.768 68.457 25.117 1.00 56.74 C ATOM 428 OE1 GLU A 60 66.756 67.240 24.812 1.00 55.51 O ATOM 429 OE2 GLU A 60 66.020 69.302 24.577 1.00 58.47 O ATOM 0 H GLU A 60 71.154 66.794 26.493 1.00 48.28 H new ATOM 0 HA GLU A 60 69.459 67.728 24.575 1.00 51.23 H new ATOM 0 HB2 GLU A 60 68.454 67.076 26.612 1.00 51.43 H new ATOM 0 HB3 GLU A 60 69.254 68.201 27.338 1.00 51.43 H new ATOM 0 HG2 GLU A 60 67.222 69.107 27.016 1.00 54.35 H new ATOM 0 HG3 GLU A 60 68.109 69.789 25.930 1.00 54.35 H new ATOM 430 N MET A 61 71.186 69.531 24.161 1.00 52.57 N ATOM 431 CA MET A 61 72.093 70.671 24.026 1.00 56.44 C ATOM 432 C MET A 61 71.343 71.984 23.956 1.00 54.17 C ATOM 433 O MET A 61 70.286 72.079 23.334 1.00 55.58 O ATOM 434 CB MET A 61 72.982 70.508 22.792 1.00 48.39 C ATOM 435 CG MET A 61 73.883 69.286 22.857 1.00 53.52 C ATOM 436 SD MET A 61 75.067 69.352 24.226 1.00 54.19 S ATOM 437 CE MET A 61 76.015 70.818 23.799 1.00 54.28 C ATOM 0 H MET A 61 71.002 69.126 23.425 1.00 52.57 H new ATOM 0 HA MET A 61 72.650 70.690 24.820 1.00 56.44 H new ATOM 0 HB2 MET A 61 72.421 70.447 22.003 1.00 48.39 H new ATOM 0 HB3 MET A 61 73.531 71.301 22.689 1.00 48.39 H new ATOM 0 HG2 MET A 61 73.335 68.491 22.948 1.00 53.52 H new ATOM 0 HG3 MET A 61 74.367 69.203 22.021 1.00 53.52 H new ATOM 0 HE1 MET A 61 76.825 70.846 24.332 1.00 54.28 H new ATOM 0 HE2 MET A 61 76.248 70.790 22.858 1.00 54.28 H new ATOM 0 HE3 MET A 61 75.484 71.610 23.977 1.00 54.28 H new ATOM 438 N GLU A 62 71.899 72.994 24.613 1.00 56.42 N ATOM 439 CA GLU A 62 71.357 74.338 24.539 1.00 60.53 C ATOM 440 C GLU A 62 72.430 75.361 24.882 1.00 65.63 C ATOM 441 O GLU A 62 73.055 75.295 25.950 1.00 64.71 O ATOM 442 CB GLU A 62 70.157 74.489 25.468 1.00 64.34 C ATOM 443 CG GLU A 62 69.662 75.919 25.603 1.00 71.32 C ATOM 444 CD GLU A 62 68.463 76.039 26.533 1.00 76.93 C ATOM 445 OE1 GLU A 62 68.657 76.345 27.736 1.00 73.62 O ATOM 446 OE2 GLU A 62 67.328 75.823 26.053 1.00 73.89 O ATOM 0 H GLU A 62 72.596 72.918 25.110 1.00 56.42 H new ATOM 0 HA GLU A 62 71.058 74.497 23.630 1.00 60.53 H new ATOM 0 HB2 GLU A 62 69.432 73.934 25.139 1.00 64.34 H new ATOM 0 HB3 GLU A 62 70.395 74.154 26.347 1.00 64.34 H new ATOM 0 HG2 GLU A 62 70.382 76.477 25.936 1.00 71.32 H new ATOM 0 HG3 GLU A 62 69.422 76.259 24.727 1.00 71.32 H new ATOM 447 N ASP A 63 72.626 76.302 23.956 1.00 69.01 N ATOM 448 CA ASP A 63 73.658 77.340 24.043 1.00 69.26 C ATOM 449 C ASP A 63 75.010 76.741 24.314 1.00 66.78 C ATOM 450 O ASP A 63 75.811 77.298 25.067 1.00 66.82 O ATOM 451 CB ASP A 63 73.329 78.370 25.122 1.00 72.86 C ATOM 452 CG ASP A 63 72.245 79.331 24.689 1.00 82.93 C ATOM 453 OD1 ASP A 63 72.016 79.459 23.462 1.00 84.00 O ATOM 454 OD2 ASP A 63 71.617 79.955 25.570 1.00 83.82 O ATOM 0 H ASP A 63 72.150 76.356 23.241 1.00 69.01 H new ATOM 0 HA ASP A 63 73.679 77.789 23.183 1.00 69.26 H new ATOM 0 HB2 ASP A 63 73.048 77.911 25.929 1.00 72.86 H new ATOM 0 HB3 ASP A 63 74.130 78.869 25.344 1.00 72.86 H new ATOM 455 N GLY A 64 75.245 75.589 23.704 1.00 64.40 N ATOM 456 CA GLY A 64 76.501 74.900 23.862 1.00 67.09 C ATOM 457 C GLY A 64 76.697 74.041 25.093 1.00 66.74 C ATOM 458 O GLY A 64 77.785 73.520 25.269 1.00 62.53 O ATOM 0 H GLY A 64 74.681 75.191 23.191 1.00 64.40 H new ATOM 0 HA2 GLY A 64 76.629 74.336 23.084 1.00 67.09 H new ATOM 0 HA3 GLY A 64 77.207 75.565 23.849 1.00 67.09 H new ATOM 459 N HIS A 65 75.714 73.883 25.978 1.00 66.60 N ATOM 460 CA HIS A 65 75.971 72.873 27.004 1.00 64.59 C ATOM 461 C HIS A 65 74.747 72.004 27.170 1.00 57.87 C ATOM 462 O HIS A 65 73.665 72.335 26.697 1.00 60.24 O ATOM 463 CB HIS A 65 76.437 73.477 28.350 1.00 63.17 C ATOM 464 CG HIS A 65 76.508 74.995 28.400 1.00 74.73 C ATOM 465 ND1 HIS A 65 77.158 75.772 27.457 1.00 83.34 N ATOM 466 CD2 HIS A 65 76.259 75.818 29.464 1.00 81.64 C ATOM 467 CE1 HIS A 65 77.107 77.041 27.846 1.00 84.49 C ATOM 468 NE2 HIS A 65 76.593 77.086 29.071 1.00 89.67 N ATOM 0 H HIS A 65 74.964 74.302 26.008 1.00 66.60 H new ATOM 0 HA HIS A 65 76.713 72.325 26.703 1.00 64.59 H new ATOM 0 HB2 HIS A 65 75.835 73.174 29.048 1.00 63.17 H new ATOM 0 HB3 HIS A 65 77.315 73.121 28.559 1.00 63.17 H new ATOM 0 HD2 HIS A 65 75.927 75.565 30.295 1.00 81.64 H new ATOM 0 HE1 HIS A 65 77.384 77.774 27.346 1.00 84.49 H new ATOM 0 HE2 HIS A 65 76.487 77.798 29.542 1.00 89.67 H new ATOM 469 N CYS A 66 74.962 70.843 27.769 1.00 57.00 N ATOM 470 CA CYS A 66 73.889 69.894 27.978 1.00 51.56 C ATOM 471 C CYS A 66 73.108 70.305 29.210 1.00 48.76 C ATOM 472 O CYS A 66 73.699 70.611 30.245 1.00 53.50 O ATOM 473 CB CYS A 66 74.425 68.473 28.137 1.00 44.28 C ATOM 474 SG CYS A 66 73.122 67.236 28.356 1.00 43.26 S ATOM 0 H CYS A 66 75.728 70.587 28.063 1.00 57.00 H new ATOM 0 HA CYS A 66 73.309 69.898 27.201 1.00 51.56 H new ATOM 0 HB2 CYS A 66 74.952 68.244 27.356 1.00 44.28 H new ATOM 0 HB3 CYS A 66 75.022 68.443 28.901 1.00 44.28 H new ATOM 475 N ILE A 67 71.785 70.325 29.100 1.00 51.68 N ATOM 476 CA ILE A 67 70.950 70.741 30.224 1.00 53.78 C ATOM 477 C ILE A 67 70.101 69.583 30.734 1.00 51.23 C ATOM 478 O ILE A 67 69.192 69.788 31.539 1.00 48.06 O ATOM 479 CB ILE A 67 70.023 71.919 29.845 1.00 46.54 C ATOM 480 CG1 ILE A 67 68.976 71.476 28.830 1.00 48.85 C ATOM 481 CG2 ILE A 67 70.822 73.085 29.276 1.00 48.46 C ATOM 482 CD1 ILE A 67 67.952 72.538 28.553 1.00 51.16 C ATOM 0 H ILE A 67 71.352 70.104 28.390 1.00 51.68 H new ATOM 0 HA ILE A 67 71.553 71.033 30.925 1.00 53.78 H new ATOM 0 HB ILE A 67 69.577 72.212 30.655 1.00 46.54 H new ATOM 0 HG12 ILE A 67 69.417 71.233 28.001 1.00 48.85 H new ATOM 0 HG13 ILE A 67 68.530 70.679 29.158 1.00 48.85 H new ATOM 0 HG21 ILE A 67 70.219 73.809 29.047 1.00 48.46 H new ATOM 0 HG22 ILE A 67 71.460 73.394 29.938 1.00 48.46 H new ATOM 0 HG23 ILE A 67 71.296 72.795 28.481 1.00 48.46 H new ATOM 0 HD11 ILE A 67 67.311 72.208 27.904 1.00 51.16 H new ATOM 0 HD12 ILE A 67 67.491 72.765 29.375 1.00 51.16 H new ATOM 0 HD13 ILE A 67 68.392 73.328 28.201 1.00 51.16 H new ATOM 483 N ARG A 68 70.383 68.367 30.267 1.00 49.49 N ATOM 484 CA ARG A 68 69.541 67.248 30.655 1.00 47.64 C ATOM 485 C ARG A 68 69.675 66.907 32.143 1.00 46.36 C ATOM 486 O ARG A 68 68.683 66.553 32.776 1.00 43.43 O ATOM 487 CB ARG A 68 69.826 65.988 29.827 1.00 42.91 C ATOM 488 CG ARG A 68 68.784 64.880 30.117 1.00 41.19 C ATOM 489 CD ARG A 68 68.969 63.607 29.316 1.00 46.71 C ATOM 490 NE ARG A 68 68.999 63.831 27.868 1.00 51.19 N ATOM 491 CZ ARG A 68 67.926 64.045 27.106 1.00 52.58 C ATOM 492 NH1 ARG A 68 66.710 64.110 27.648 1.00 49.21 N ATOM 493 NH2 ARG A 68 68.077 64.223 25.798 1.00 48.74 N ATOM 0 H ARG A 68 71.036 68.176 29.741 1.00 49.49 H new ATOM 0 HA ARG A 68 68.633 67.540 30.480 1.00 47.64 H new ATOM 0 HB2 ARG A 68 69.813 66.209 28.883 1.00 42.91 H new ATOM 0 HB3 ARG A 68 70.716 65.659 30.029 1.00 42.91 H new ATOM 0 HG2 ARG A 68 68.818 64.661 31.061 1.00 41.19 H new ATOM 0 HG3 ARG A 68 67.898 65.233 29.940 1.00 41.19 H new ATOM 0 HD2 ARG A 68 69.796 63.179 29.588 1.00 46.71 H new ATOM 0 HD3 ARG A 68 68.249 62.992 29.527 1.00 46.71 H new ATOM 0 HE ARG A 68 69.767 63.824 27.480 1.00 51.19 H new ATOM 0 HH11 ARG A 68 66.612 64.014 28.497 1.00 49.21 H new ATOM 0 HH12 ARG A 68 66.024 64.248 27.149 1.00 49.21 H new ATOM 0 HH21 ARG A 68 68.863 64.200 25.449 1.00 48.74 H new ATOM 0 HH22 ARG A 68 67.389 64.361 25.301 1.00 48.74 H new ATOM 494 N THR A 69 70.882 67.011 32.702 1.00 41.35 N ATOM 495 CA THR A 69 71.121 66.444 34.026 1.00 46.24 C ATOM 496 C THR A 69 70.911 67.401 35.181 1.00 43.47 C ATOM 497 O THR A 69 71.036 68.614 35.047 1.00 40.91 O ATOM 498 CB THR A 69 72.561 65.898 34.193 1.00 40.13 C ATOM 499 OG1 THR A 69 73.486 66.984 34.152 1.00 42.96 O ATOM 500 CG2 THR A 69 72.900 64.869 33.135 1.00 43.56 C ATOM 0 H THR A 69 71.560 67.397 32.340 1.00 41.35 H new ATOM 0 HA THR A 69 70.457 65.738 34.065 1.00 46.24 H new ATOM 0 HB THR A 69 72.620 65.452 35.052 1.00 40.13 H new ATOM 0 HG1 THR A 69 74.151 66.804 34.633 1.00 42.96 H new ATOM 0 HG21 THR A 69 73.806 64.551 33.271 1.00 43.56 H new ATOM 0 HG22 THR A 69 72.283 64.123 33.199 1.00 43.56 H new ATOM 0 HG23 THR A 69 72.828 65.273 32.256 1.00 43.56 H new ATOM 501 N VAL A 70 70.597 66.806 36.324 1.00 44.56 N ATOM 502 CA VAL A 70 70.727 67.459 37.614 1.00 43.54 C ATOM 503 C VAL A 70 72.165 67.262 38.065 1.00 38.04 C ATOM 504 O VAL A 70 72.680 66.153 37.979 1.00 39.78 O ATOM 505 CB VAL A 70 69.758 66.853 38.639 1.00 45.53 C ATOM 506 CG1 VAL A 70 70.028 67.414 40.052 1.00 37.89 C ATOM 507 CG2 VAL A 70 68.313 67.075 38.187 1.00 40.28 C ATOM 0 H VAL A 70 70.299 66.001 36.371 1.00 44.56 H new ATOM 0 HA VAL A 70 70.509 68.401 37.541 1.00 43.54 H new ATOM 0 HB VAL A 70 69.905 65.895 38.690 1.00 45.53 H new ATOM 0 HG11 VAL A 70 69.406 67.018 40.682 1.00 37.89 H new ATOM 0 HG12 VAL A 70 70.936 67.200 40.317 1.00 37.89 H new ATOM 0 HG13 VAL A 70 69.912 68.377 40.046 1.00 37.89 H new ATOM 0 HG21 VAL A 70 67.707 66.690 38.839 1.00 40.28 H new ATOM 0 HG22 VAL A 70 68.141 68.026 38.109 1.00 40.28 H new ATOM 0 HG23 VAL A 70 68.174 66.650 37.326 1.00 40.28 H new ATOM 508 N HIS A 71 72.825 68.315 38.529 1.00 39.96 N ATOM 509 CA HIS A 71 74.226 68.171 38.939 1.00 43.57 C ATOM 510 C HIS A 71 74.355 67.275 40.157 1.00 42.25 C ATOM 511 O HIS A 71 73.400 67.112 40.907 1.00 40.62 O ATOM 512 CB HIS A 71 74.842 69.526 39.226 1.00 40.78 C ATOM 513 CG HIS A 71 74.995 70.372 38.005 1.00 49.95 C ATOM 514 ND1 HIS A 71 75.572 71.623 38.032 1.00 49.18 N ATOM 515 CD2 HIS A 71 74.651 70.144 36.716 1.00 48.71 C ATOM 516 CE1 HIS A 71 75.573 72.132 36.816 1.00 45.02 C ATOM 517 NE2 HIS A 71 75.021 71.254 35.996 1.00 54.57 N ATOM 0 H HIS A 71 72.495 69.105 38.615 1.00 39.96 H new ATOM 0 HA HIS A 71 74.704 67.757 38.204 1.00 43.57 H new ATOM 0 HB2 HIS A 71 74.290 69.996 39.871 1.00 40.78 H new ATOM 0 HB3 HIS A 71 75.712 69.399 39.636 1.00 40.78 H new ATOM 0 HD2 HIS A 71 74.241 69.380 36.381 1.00 48.71 H new ATOM 0 HE1 HIS A 71 75.905 72.967 36.576 1.00 45.02 H new ATOM 0 HE2 HIS A 71 74.911 71.360 35.150 1.00 54.57 H new ATOM 518 N ALA A 72 75.535 66.692 40.342 1.00 44.35 N ATOM 519 CA ALA A 72 75.745 65.713 41.402 1.00 41.52 C ATOM 520 C ALA A 72 75.448 66.310 42.770 1.00 40.93 C ATOM 521 O ALA A 72 74.807 65.669 43.604 1.00 42.05 O ATOM 522 CB ALA A 72 77.155 65.176 41.354 1.00 41.56 C ATOM 0 H ALA A 72 76.230 66.851 39.861 1.00 44.35 H new ATOM 0 HA ALA A 72 75.128 64.979 41.257 1.00 41.52 H new ATOM 0 HB1 ALA A 72 77.279 64.527 42.064 1.00 41.56 H new ATOM 0 HB2 ALA A 72 77.310 64.750 40.497 1.00 41.56 H new ATOM 0 HB3 ALA A 72 77.783 65.906 41.470 1.00 41.56 H new ATOM 523 N GLU A 73 75.885 67.546 42.980 1.00 37.57 N ATOM 524 CA GLU A 73 75.741 68.202 44.274 1.00 38.22 C ATOM 525 C GLU A 73 74.286 68.493 44.545 1.00 42.48 C ATOM 526 O GLU A 73 73.798 68.226 45.640 1.00 43.50 O ATOM 527 CB GLU A 73 76.539 69.495 44.339 1.00 41.68 C ATOM 528 CG GLU A 73 77.994 69.347 43.939 1.00 49.14 C ATOM 529 CD GLU A 73 78.231 69.582 42.447 1.00 52.96 C ATOM 530 OE1 GLU A 73 77.484 69.026 41.599 1.00 45.21 O ATOM 531 OE2 GLU A 73 79.175 70.336 42.131 1.00 57.82 O ATOM 0 H GLU A 73 76.271 68.026 42.380 1.00 37.57 H new ATOM 0 HA GLU A 73 76.088 67.599 44.950 1.00 38.22 H new ATOM 0 HB2 GLU A 73 76.120 70.151 43.761 1.00 41.68 H new ATOM 0 HB3 GLU A 73 76.496 69.845 45.243 1.00 41.68 H new ATOM 0 HG2 GLU A 73 78.530 69.974 44.449 1.00 49.14 H new ATOM 0 HG3 GLU A 73 78.300 68.457 44.174 1.00 49.14 H new ATOM 532 N MET A 74 73.588 69.024 43.542 1.00 41.77 N ATOM 533 CA MET A 74 72.147 69.236 43.651 1.00 38.98 C ATOM 534 C MET A 74 71.395 67.912 43.878 1.00 38.93 C ATOM 535 O MET A 74 70.489 67.845 44.703 1.00 37.24 O ATOM 536 CB MET A 74 71.604 69.944 42.412 1.00 38.90 C ATOM 537 CG MET A 74 70.105 70.293 42.508 1.00 39.49 C ATOM 538 SD MET A 74 69.761 71.607 43.718 1.00 50.44 S ATOM 539 CE MET A 74 70.857 72.879 43.105 1.00 43.17 C ATOM 0 H MET A 74 73.930 69.268 42.791 1.00 41.77 H new ATOM 0 HA MET A 74 71.998 69.803 44.424 1.00 38.98 H new ATOM 0 HB2 MET A 74 72.110 70.759 42.267 1.00 38.90 H new ATOM 0 HB3 MET A 74 71.748 69.379 41.637 1.00 38.90 H new ATOM 0 HG2 MET A 74 69.786 70.571 41.635 1.00 39.49 H new ATOM 0 HG3 MET A 74 69.607 69.497 42.751 1.00 39.49 H new ATOM 0 HE1 MET A 74 70.526 73.750 43.376 1.00 43.17 H new ATOM 0 HE2 MET A 74 71.746 72.744 43.469 1.00 43.17 H new ATOM 0 HE3 MET A 74 70.895 72.835 42.137 1.00 43.17 H new ATOM 540 N ASN A 75 71.781 66.859 43.170 1.00 35.64 N ATOM 541 CA ASN A 75 71.148 65.573 43.368 1.00 35.90 C ATOM 542 C ASN A 75 71.295 65.092 44.808 1.00 39.49 C ATOM 543 O ASN A 75 70.352 64.542 45.370 1.00 40.74 O ATOM 544 CB ASN A 75 71.716 64.529 42.417 1.00 36.75 C ATOM 545 CG ASN A 75 70.855 64.334 41.189 1.00 40.96 C ATOM 546 OD1 ASN A 75 69.648 64.558 41.222 1.00 41.79 O ATOM 547 ND2 ASN A 75 71.476 63.929 40.087 1.00 40.94 N ATOM 0 H ASN A 75 72.403 66.871 42.576 1.00 35.64 H new ATOM 0 HA ASN A 75 70.204 65.690 43.178 1.00 35.90 H new ATOM 0 HB2 ASN A 75 72.608 64.796 42.144 1.00 36.75 H new ATOM 0 HB3 ASN A 75 71.803 63.684 42.885 1.00 36.75 H new ATOM 0 HD21 ASN A 75 71.031 63.814 39.360 1.00 40.94 H new ATOM 0 HD22 ASN A 75 72.323 63.782 40.100 1.00 40.94 H new ATOM 548 N ALA A 76 72.461 65.300 45.408 1.00 34.39 N ATOM 549 CA ALA A 76 72.637 64.871 46.785 1.00 39.94 C ATOM 550 C ALA A 76 71.623 65.600 47.680 1.00 38.18 C ATOM 551 O ALA A 76 70.957 64.972 48.498 1.00 37.54 O ATOM 552 CB ALA A 76 74.083 65.110 47.264 1.00 34.20 C ATOM 0 H ALA A 76 73.144 65.677 45.047 1.00 34.39 H new ATOM 0 HA ALA A 76 72.475 63.916 46.841 1.00 39.94 H new ATOM 0 HB1 ALA A 76 74.172 64.815 48.184 1.00 34.20 H new ATOM 0 HB2 ALA A 76 74.697 64.609 46.704 1.00 34.20 H new ATOM 0 HB3 ALA A 76 74.291 66.056 47.206 1.00 34.20 H new ATOM 553 N LEU A 77 71.496 66.913 47.497 1.00 38.38 N ATOM 554 CA LEU A 77 70.525 67.730 48.238 1.00 38.92 C ATOM 555 C LEU A 77 69.082 67.299 48.012 1.00 41.43 C ATOM 556 O LEU A 77 68.281 67.285 48.951 1.00 40.87 O ATOM 557 CB LEU A 77 70.654 69.199 47.847 1.00 39.31 C ATOM 558 CG LEU A 77 71.807 69.990 48.444 1.00 40.22 C ATOM 559 CD1 LEU A 77 71.801 71.422 47.909 1.00 38.26 C ATOM 560 CD2 LEU A 77 71.637 69.982 49.941 1.00 44.57 C ATOM 0 H LEU A 77 71.972 67.360 46.937 1.00 38.38 H new ATOM 0 HA LEU A 77 70.734 67.602 49.177 1.00 38.92 H new ATOM 0 HB2 LEU A 77 70.729 69.245 46.881 1.00 39.31 H new ATOM 0 HB3 LEU A 77 69.828 69.646 48.089 1.00 39.31 H new ATOM 0 HG LEU A 77 72.657 69.591 48.200 1.00 40.22 H new ATOM 0 HD11 LEU A 77 72.540 71.916 48.297 1.00 38.26 H new ATOM 0 HD12 LEU A 77 71.894 71.407 46.944 1.00 38.26 H new ATOM 0 HD13 LEU A 77 70.965 71.853 48.147 1.00 38.26 H new ATOM 0 HD21 LEU A 77 72.360 70.481 50.352 1.00 44.57 H new ATOM 0 HD22 LEU A 77 70.789 70.393 50.173 1.00 44.57 H new ATOM 0 HD23 LEU A 77 71.652 69.067 50.264 1.00 44.57 H new ATOM 561 N ILE A 78 68.741 66.985 46.760 1.00 38.31 N ATOM 562 CA ILE A 78 67.386 66.573 46.435 1.00 37.20 C ATOM 563 C ILE A 78 67.080 65.203 47.061 1.00 40.75 C ATOM 564 O ILE A 78 65.956 64.968 47.477 1.00 40.07 O ATOM 565 CB ILE A 78 67.158 66.526 44.919 1.00 38.75 C ATOM 566 CG1 ILE A 78 67.419 67.896 44.293 1.00 40.35 C ATOM 567 CG2 ILE A 78 65.755 66.038 44.579 1.00 32.98 C ATOM 568 CD1 ILE A 78 66.518 68.977 44.796 1.00 46.44 C ATOM 0 H ILE A 78 69.281 67.006 46.091 1.00 38.31 H new ATOM 0 HA ILE A 78 66.780 67.234 46.805 1.00 37.20 H new ATOM 0 HB ILE A 78 67.788 65.890 44.546 1.00 38.75 H new ATOM 0 HG12 ILE A 78 68.340 68.149 44.464 1.00 40.35 H new ATOM 0 HG13 ILE A 78 67.319 67.826 43.331 1.00 40.35 H new ATOM 0 HG21 ILE A 78 65.643 66.020 43.616 1.00 32.98 H new ATOM 0 HG22 ILE A 78 65.627 65.145 44.936 1.00 32.98 H new ATOM 0 HG23 ILE A 78 65.100 66.638 44.969 1.00 32.98 H new ATOM 0 HD11 ILE A 78 66.740 69.813 44.358 1.00 46.44 H new ATOM 0 HD12 ILE A 78 65.596 68.746 44.603 1.00 46.44 H new ATOM 0 HD13 ILE A 78 66.633 69.074 45.754 1.00 46.44 H new ATOM 569 N GLN A 79 68.065 64.305 47.136 1.00 37.15 N ATOM 570 CA GLN A 79 67.866 63.074 47.896 1.00 43.35 C ATOM 571 C GLN A 79 67.405 63.415 49.325 1.00 40.21 C ATOM 572 O GLN A 79 66.456 62.824 49.825 1.00 39.94 O ATOM 573 CB GLN A 79 69.141 62.214 47.948 1.00 42.03 C ATOM 574 CG GLN A 79 69.526 61.580 46.627 1.00 46.92 C ATOM 575 CD GLN A 79 68.455 60.652 46.091 1.00 50.75 C ATOM 576 OE1 GLN A 79 68.036 60.763 44.931 1.00 49.69 O ATOM 577 NE2 GLN A 79 68.004 59.728 46.930 1.00 48.41 N ATOM 0 H GLN A 79 68.836 64.387 46.764 1.00 37.15 H new ATOM 0 HA GLN A 79 67.183 62.555 47.443 1.00 43.35 H new ATOM 0 HB2 GLN A 79 69.877 62.766 48.256 1.00 42.03 H new ATOM 0 HB3 GLN A 79 69.018 61.513 48.607 1.00 42.03 H new ATOM 0 HG2 GLN A 79 69.700 62.278 45.976 1.00 46.92 H new ATOM 0 HG3 GLN A 79 70.352 61.084 46.739 1.00 46.92 H new ATOM 0 HE21 GLN A 79 68.319 59.682 47.729 1.00 48.41 H new ATOM 0 HE22 GLN A 79 67.396 59.175 46.675 1.00 48.41 H new ATOM 578 N CYS A 80 68.069 64.376 49.970 1.00 35.18 N ATOM 579 CA CYS A 80 67.689 64.756 51.330 1.00 39.34 C ATOM 580 C CYS A 80 66.239 65.278 51.383 1.00 42.58 C ATOM 581 O CYS A 80 65.477 64.936 52.286 1.00 38.04 O ATOM 582 CB CYS A 80 68.664 65.798 51.879 1.00 34.72 C ATOM 583 SG CYS A 80 70.319 65.111 52.203 1.00 37.30 S ATOM 0 H CYS A 80 68.733 64.814 49.643 1.00 35.18 H new ATOM 0 HA CYS A 80 67.734 63.964 51.889 1.00 39.34 H new ATOM 0 HB2 CYS A 80 68.740 66.529 51.246 1.00 34.72 H new ATOM 0 HB3 CYS A 80 68.306 66.169 52.700 1.00 34.72 H new ATOM 0 HG CYS A 80 70.831 65.709 53.109 1.00 37.30 H new ATOM 584 N ALA A 81 65.865 66.076 50.388 1.00 41.47 N ATOM 585 CA ALA A 81 64.545 66.694 50.326 1.00 39.50 C ATOM 586 C ALA A 81 63.474 65.647 50.077 1.00 38.53 C ATOM 587 O ALA A 81 62.426 65.644 50.719 1.00 39.30 O ATOM 588 CB ALA A 81 64.503 67.764 49.224 1.00 33.58 C ATOM 0 H ALA A 81 66.374 66.276 49.724 1.00 41.47 H new ATOM 0 HA ALA A 81 64.370 67.119 51.180 1.00 39.50 H new ATOM 0 HB1 ALA A 81 63.620 68.165 49.195 1.00 33.58 H new ATOM 0 HB2 ALA A 81 65.163 68.449 49.413 1.00 33.58 H new ATOM 0 HB3 ALA A 81 64.699 67.354 48.367 1.00 33.58 H new ATOM 589 N LYS A 82 63.742 64.772 49.122 1.00 36.17 N ATOM 590 CA LYS A 82 62.807 63.724 48.750 1.00 40.25 C ATOM 591 C LYS A 82 62.514 62.761 49.906 1.00 41.85 C ATOM 592 O LYS A 82 61.366 62.411 50.168 1.00 40.31 O ATOM 593 CB LYS A 82 63.357 62.949 47.561 1.00 38.80 C ATOM 594 CG LYS A 82 62.382 61.963 46.977 1.00 40.14 C ATOM 595 CD LYS A 82 63.007 61.242 45.816 1.00 42.96 C ATOM 596 CE LYS A 82 62.151 60.053 45.388 1.00 56.95 C ATOM 597 NZ LYS A 82 62.874 59.186 44.402 1.00 62.07 N ATOM 0 H LYS A 82 64.473 64.769 48.669 1.00 36.17 H new ATOM 0 HA LYS A 82 61.969 64.152 48.514 1.00 40.25 H new ATOM 0 HB2 LYS A 82 63.622 63.577 46.871 1.00 38.80 H new ATOM 0 HB3 LYS A 82 64.158 62.475 47.836 1.00 38.80 H new ATOM 0 HG2 LYS A 82 62.112 61.325 47.655 1.00 40.14 H new ATOM 0 HG3 LYS A 82 61.580 62.424 46.686 1.00 40.14 H new ATOM 0 HD2 LYS A 82 63.114 61.853 45.070 1.00 42.96 H new ATOM 0 HD3 LYS A 82 63.894 60.935 46.061 1.00 42.96 H new ATOM 0 HE2 LYS A 82 61.910 59.528 46.167 1.00 56.95 H new ATOM 0 HE3 LYS A 82 61.324 60.373 44.995 1.00 56.95 H new ATOM 0 HZ1 LYS A 82 62.354 58.502 44.170 1.00 62.07 H new ATOM 0 HZ2 LYS A 82 63.076 59.663 43.679 1.00 62.07 H new ATOM 0 HZ3 LYS A 82 63.622 58.877 44.771 1.00 62.07 H new ATOM 598 N GLU A 83 63.570 62.360 50.597 1.00 38.02 N ATOM 599 CA GLU A 83 63.490 61.357 51.638 1.00 38.93 C ATOM 600 C GLU A 83 63.262 61.967 53.011 1.00 39.27 C ATOM 601 O GLU A 83 63.092 61.251 53.982 1.00 41.55 O ATOM 602 CB GLU A 83 64.776 60.522 51.649 1.00 42.03 C ATOM 603 CG GLU A 83 65.030 59.760 50.357 1.00 44.69 C ATOM 604 CD GLU A 83 63.881 58.815 50.004 1.00 49.17 C ATOM 605 OE1 GLU A 83 63.184 58.340 50.928 1.00 55.52 O ATOM 606 OE2 GLU A 83 63.667 58.547 48.804 1.00 49.78 O ATOM 0 H GLU A 83 64.363 62.668 50.471 1.00 38.02 H new ATOM 0 HA GLU A 83 62.726 60.793 51.441 1.00 38.93 H new ATOM 0 HB2 GLU A 83 65.530 61.108 51.822 1.00 42.03 H new ATOM 0 HB3 GLU A 83 64.734 59.890 52.384 1.00 42.03 H new ATOM 0 HG2 GLU A 83 65.161 60.391 49.632 1.00 44.69 H new ATOM 0 HG3 GLU A 83 65.851 59.250 50.441 1.00 44.69 H new ATOM 607 N GLY A 84 63.268 63.291 53.095 1.00 41.84 N ATOM 608 CA GLY A 84 63.146 63.947 54.382 1.00 39.17 C ATOM 609 C GLY A 84 64.302 63.609 55.306 1.00 42.16 C ATOM 610 O GLY A 84 64.092 63.219 56.448 1.00 44.35 O ATOM 0 H GLY A 84 63.341 63.822 52.422 1.00 41.84 H new ATOM 0 HA2 GLY A 84 63.107 64.907 54.252 1.00 39.17 H new ATOM 0 HA3 GLY A 84 62.311 63.684 54.800 1.00 39.17 H new ATOM 611 N ILE A 85 65.523 63.745 54.789 1.00 39.18 N ATOM 612 CA ILE A 85 66.751 63.589 55.555 1.00 37.41 C ATOM 613 C ILE A 85 67.393 64.965 55.738 1.00 38.72 C ATOM 614 O ILE A 85 67.562 65.690 54.771 1.00 39.11 O ATOM 615 CB ILE A 85 67.754 62.639 54.852 1.00 42.81 C ATOM 616 CG1 ILE A 85 67.218 61.202 54.800 1.00 40.68 C ATOM 617 CG2 ILE A 85 69.111 62.678 55.565 1.00 41.44 C ATOM 618 CD1 ILE A 85 67.942 60.325 53.766 1.00 44.74 C ATOM 0 H ILE A 85 65.660 63.935 53.962 1.00 39.18 H new ATOM 0 HA ILE A 85 66.528 63.196 56.413 1.00 37.41 H new ATOM 0 HB ILE A 85 67.869 62.947 53.939 1.00 42.81 H new ATOM 0 HG12 ILE A 85 67.306 60.798 55.677 1.00 40.68 H new ATOM 0 HG13 ILE A 85 66.271 61.223 54.591 1.00 40.68 H new ATOM 0 HG21 ILE A 85 69.730 62.080 55.117 1.00 41.44 H new ATOM 0 HG22 ILE A 85 69.462 63.582 55.543 1.00 41.44 H new ATOM 0 HG23 ILE A 85 69.001 62.396 56.487 1.00 41.44 H new ATOM 0 HD11 ILE A 85 67.563 59.432 53.777 1.00 44.74 H new ATOM 0 HD12 ILE A 85 67.834 60.710 52.882 1.00 44.74 H new ATOM 0 HD13 ILE A 85 68.886 60.278 53.985 1.00 44.74 H new ATOM 619 N SER A 86 67.738 65.336 56.969 1.00 36.48 N ATOM 620 CA SER A 86 68.231 66.689 57.233 1.00 37.94 C ATOM 621 C SER A 86 69.640 66.911 56.720 1.00 38.15 C ATOM 622 O SER A 86 70.554 66.210 57.139 1.00 36.04 O ATOM 623 CB SER A 86 68.219 66.999 58.732 1.00 36.88 C ATOM 624 OG SER A 86 68.835 68.261 58.970 1.00 41.65 O ATOM 0 H SER A 86 67.695 64.826 57.660 1.00 36.48 H new ATOM 0 HA SER A 86 67.628 67.282 56.758 1.00 37.94 H new ATOM 0 HB2 SER A 86 67.307 67.008 59.061 1.00 36.88 H new ATOM 0 HB3 SER A 86 68.689 66.304 59.218 1.00 36.88 H new ATOM 0 HG SER A 86 68.422 68.859 58.548 1.00 41.65 H new ATOM 625 N ALA A 87 69.813 67.903 55.844 1.00 36.81 N ATOM 626 CA ALA A 87 71.135 68.285 55.349 1.00 37.94 C ATOM 627 C ALA A 87 71.773 69.395 56.184 1.00 39.84 C ATOM 628 O ALA A 87 72.853 69.879 55.861 1.00 39.81 O ATOM 629 CB ALA A 87 71.048 68.717 53.894 1.00 37.88 C ATOM 0 H ALA A 87 69.168 68.372 55.521 1.00 36.81 H new ATOM 0 HA ALA A 87 71.703 67.502 55.425 1.00 37.94 H new ATOM 0 HB1 ALA A 87 71.930 68.968 53.577 1.00 37.88 H new ATOM 0 HB2 ALA A 87 70.709 67.983 53.358 1.00 37.88 H new ATOM 0 HB3 ALA A 87 70.449 69.476 53.817 1.00 37.88 H new ATOM 630 N ASN A 88 71.119 69.809 57.258 1.00 39.27 N ATOM 631 CA ASN A 88 71.657 70.917 58.047 1.00 41.03 C ATOM 632 C ASN A 88 72.911 70.523 58.822 1.00 41.50 C ATOM 633 O ASN A 88 72.960 69.453 59.396 1.00 39.18 O ATOM 634 CB ASN A 88 70.606 71.443 59.016 1.00 38.80 C ATOM 635 CG ASN A 88 70.894 72.866 59.466 1.00 44.38 C ATOM 636 OD1 ASN A 88 71.712 73.562 58.870 1.00 40.26 O ATOM 637 ND2 ASN A 88 70.211 73.308 60.517 1.00 44.80 N ATOM 0 H ASN A 88 70.380 69.475 57.546 1.00 39.27 H new ATOM 0 HA ASN A 88 71.902 71.614 57.418 1.00 41.03 H new ATOM 0 HB2 ASN A 88 69.734 71.411 58.592 1.00 38.80 H new ATOM 0 HB3 ASN A 88 70.566 70.863 59.792 1.00 38.80 H new ATOM 0 HD21 ASN A 88 70.334 74.109 60.804 1.00 44.80 H new ATOM 0 HD22 ASN A 88 69.646 72.793 60.910 1.00 44.80 H new ATOM 638 N ASN A 89 73.912 71.406 58.831 1.00 42.91 N ATOM 639 CA ASN A 89 75.165 71.182 59.552 1.00 41.19 C ATOM 640 C ASN A 89 75.871 69.921 59.079 1.00 40.82 C ATOM 641 O ASN A 89 76.440 69.174 59.873 1.00 45.98 O ATOM 642 CB ASN A 89 74.914 71.120 61.065 1.00 44.28 C ATOM 643 CG ASN A 89 74.264 72.395 61.597 1.00 49.46 C ATOM 644 OD1 ASN A 89 74.784 73.495 61.417 1.00 50.83 O ATOM 645 ND2 ASN A 89 73.103 72.251 62.223 1.00 51.53 N ATOM 0 H ASN A 89 73.881 72.158 58.415 1.00 42.91 H new ATOM 0 HA ASN A 89 75.748 71.934 59.361 1.00 41.19 H new ATOM 0 HB2 ASN A 89 74.344 70.361 61.265 1.00 44.28 H new ATOM 0 HB3 ASN A 89 75.755 70.972 61.525 1.00 44.28 H new ATOM 0 HD21 ASN A 89 72.686 72.942 62.520 1.00 51.53 H new ATOM 0 HD22 ASN A 89 72.768 71.467 62.332 1.00 51.53 H new ATOM 646 N THR A 90 75.803 69.682 57.777 1.00 40.68 N ATOM 647 CA THR A 90 76.572 68.623 57.149 1.00 40.96 C ATOM 648 C THR A 90 77.818 69.197 56.502 1.00 38.91 C ATOM 649 O THR A 90 78.030 70.405 56.495 1.00 39.84 O ATOM 650 CB THR A 90 75.769 67.898 56.062 1.00 40.07 C ATOM 651 OG1 THR A 90 75.289 68.874 55.135 1.00 39.12 O ATOM 652 CG2 THR A 90 74.593 67.145 56.651 1.00 41.19 C ATOM 0 H THR A 90 75.309 70.130 57.234 1.00 40.68 H new ATOM 0 HA THR A 90 76.803 67.991 57.848 1.00 40.96 H new ATOM 0 HB THR A 90 76.345 67.253 55.623 1.00 40.07 H new ATOM 0 HG1 THR A 90 74.541 69.158 55.390 1.00 39.12 H new ATOM 0 HG21 THR A 90 74.106 66.698 55.941 1.00 41.19 H new ATOM 0 HG22 THR A 90 74.915 66.486 57.286 1.00 41.19 H new ATOM 0 HG23 THR A 90 74.004 67.768 57.104 1.00 41.19 H new ATOM 653 N GLU A 91 78.637 68.314 55.951 1.00 41.59 N ATOM 654 CA GLU A 91 79.720 68.715 55.063 1.00 40.53 C ATOM 655 C GLU A 91 79.574 67.925 53.765 1.00 39.53 C ATOM 656 O GLU A 91 78.884 66.899 53.736 1.00 42.89 O ATOM 657 CB GLU A 91 81.071 68.453 55.701 1.00 39.88 C ATOM 658 CG GLU A 91 81.264 66.994 56.113 1.00 47.34 C ATOM 659 CD GLU A 91 82.640 66.725 56.726 1.00 56.91 C ATOM 660 OE1 GLU A 91 83.568 67.536 56.487 1.00 64.79 O ATOM 661 OE2 GLU A 91 82.789 65.715 57.458 1.00 59.30 O ATOM 0 H GLU A 91 78.582 67.466 56.080 1.00 41.59 H new ATOM 0 HA GLU A 91 79.669 69.667 54.886 1.00 40.53 H new ATOM 0 HB2 GLU A 91 81.771 68.703 55.078 1.00 39.88 H new ATOM 0 HB3 GLU A 91 81.170 69.020 56.482 1.00 39.88 H new ATOM 0 HG2 GLU A 91 80.577 66.750 56.753 1.00 47.34 H new ATOM 0 HG3 GLU A 91 81.144 66.425 55.337 1.00 47.34 H new ATOM 662 N ILE A 92 80.199 68.383 52.687 1.00 38.98 N ATOM 663 CA ILE A 92 80.106 67.633 51.439 1.00 37.55 C ATOM 664 C ILE A 92 81.490 67.380 50.842 1.00 39.08 C ATOM 665 O ILE A 92 82.395 68.204 50.979 1.00 41.25 O ATOM 666 CB ILE A 92 79.191 68.365 50.403 1.00 40.76 C ATOM 667 CG1 ILE A 92 78.846 67.447 49.228 1.00 38.46 C ATOM 668 CG2 ILE A 92 79.838 69.667 49.913 1.00 40.12 C ATOM 669 CD1 ILE A 92 77.735 67.974 48.349 1.00 35.70 C ATOM 0 H ILE A 92 80.668 69.103 52.654 1.00 38.98 H new ATOM 0 HA ILE A 92 79.703 66.776 51.646 1.00 37.55 H new ATOM 0 HB ILE A 92 78.364 68.597 50.853 1.00 40.76 H new ATOM 0 HG12 ILE A 92 79.640 67.315 48.687 1.00 38.46 H new ATOM 0 HG13 ILE A 92 78.590 66.577 49.572 1.00 38.46 H new ATOM 0 HG21 ILE A 92 79.251 70.099 49.273 1.00 40.12 H new ATOM 0 HG22 ILE A 92 79.986 70.259 50.667 1.00 40.12 H new ATOM 0 HG23 ILE A 92 80.687 69.467 49.488 1.00 40.12 H new ATOM 0 HD11 ILE A 92 77.568 67.347 47.628 1.00 35.70 H new ATOM 0 HD12 ILE A 92 76.928 68.082 48.877 1.00 35.70 H new ATOM 0 HD13 ILE A 92 77.995 68.832 47.978 1.00 35.70 H new ATOM 670 N TYR A 93 81.633 66.224 50.197 1.00 42.40 N ATOM 671 CA TYR A 93 82.813 65.874 49.409 1.00 41.62 C ATOM 672 C TYR A 93 82.447 65.760 47.931 1.00 45.03 C ATOM 673 O TYR A 93 81.608 64.935 47.552 1.00 44.03 O ATOM 674 CB TYR A 93 83.432 64.554 49.896 1.00 41.57 C ATOM 675 CG TYR A 93 83.978 64.609 51.302 1.00 41.26 C ATOM 676 CD1 TYR A 93 83.125 64.535 52.394 1.00 44.94 C ATOM 677 CD2 TYR A 93 85.339 64.741 51.545 1.00 45.25 C ATOM 678 CE1 TYR A 93 83.600 64.582 53.692 1.00 41.42 C ATOM 679 CE2 TYR A 93 85.833 64.796 52.853 1.00 46.35 C ATOM 680 CZ TYR A 93 84.947 64.712 53.918 1.00 48.40 C ATOM 681 OH TYR A 93 85.384 64.755 55.221 1.00 60.52 O ATOM 0 H TYR A 93 81.033 65.608 50.206 1.00 42.40 H new ATOM 0 HA TYR A 93 83.469 66.580 49.523 1.00 41.62 H new ATOM 0 HB2 TYR A 93 82.760 63.856 49.848 1.00 41.57 H new ATOM 0 HB3 TYR A 93 84.147 64.301 49.292 1.00 41.57 H new ATOM 0 HD1 TYR A 93 82.210 64.452 52.249 1.00 44.94 H new ATOM 0 HD2 TYR A 93 85.930 64.794 50.829 1.00 45.25 H new ATOM 0 HE1 TYR A 93 83.009 64.526 54.408 1.00 41.42 H new ATOM 0 HE2 TYR A 93 86.746 64.888 53.007 1.00 46.35 H new ATOM 0 HH TYR A 93 86.220 64.835 55.234 1.00 60.52 H new ATOM 682 N VAL A 94 83.085 66.574 47.096 1.00 38.95 N ATOM 683 CA VAL A 94 82.758 66.609 45.674 1.00 40.95 C ATOM 684 C VAL A 94 83.996 66.413 44.808 1.00 46.79 C ATOM 685 O VAL A 94 85.101 66.826 45.179 1.00 43.80 O ATOM 686 CB VAL A 94 82.093 67.926 45.284 1.00 43.26 C ATOM 687 CG1 VAL A 94 80.724 68.025 45.932 1.00 43.06 C ATOM 688 CG2 VAL A 94 82.967 69.100 45.710 1.00 41.42 C ATOM 0 H VAL A 94 83.711 67.114 47.333 1.00 38.95 H new ATOM 0 HA VAL A 94 82.140 65.878 45.519 1.00 40.95 H new ATOM 0 HB VAL A 94 81.986 67.954 44.320 1.00 43.26 H new ATOM 0 HG11 VAL A 94 80.307 68.864 45.681 1.00 43.06 H new ATOM 0 HG12 VAL A 94 80.170 67.287 45.634 1.00 43.06 H new ATOM 0 HG13 VAL A 94 80.819 67.988 46.897 1.00 43.06 H new ATOM 0 HG21 VAL A 94 82.537 69.932 45.458 1.00 41.42 H new ATOM 0 HG22 VAL A 94 83.091 69.079 46.672 1.00 41.42 H new ATOM 0 HG23 VAL A 94 83.830 69.037 45.271 1.00 41.42 H new ATOM 689 N THR A 95 83.810 65.775 43.656 1.00 40.97 N ATOM 690 CA THR A 95 84.931 65.531 42.769 1.00 47.92 C ATOM 691 C THR A 95 85.351 66.834 42.108 1.00 51.62 C ATOM 692 O THR A 95 86.512 66.998 41.755 1.00 54.94 O ATOM 693 CB THR A 95 84.609 64.476 41.690 1.00 42.41 C ATOM 694 OG1 THR A 95 83.421 64.855 40.994 1.00 45.13 O ATOM 695 CG2 THR A 95 84.409 63.105 42.318 1.00 42.45 C ATOM 0 H THR A 95 83.052 65.481 43.376 1.00 40.97 H new ATOM 0 HA THR A 95 85.657 65.179 43.307 1.00 47.92 H new ATOM 0 HB THR A 95 85.355 64.429 41.072 1.00 42.41 H new ATOM 0 HG1 THR A 95 83.546 65.589 40.604 1.00 45.13 H new ATOM 0 HG21 THR A 95 84.208 62.457 41.624 1.00 42.45 H new ATOM 0 HG22 THR A 95 85.219 62.840 42.782 1.00 42.45 H new ATOM 0 HG23 THR A 95 83.673 63.142 42.948 1.00 42.45 H new ATOM 696 N HIS A 96 84.413 67.759 41.945 1.00 47.10 N ATOM 697 CA HIS A 96 84.719 69.049 41.335 1.00 48.69 C ATOM 698 C HIS A 96 84.065 70.130 42.171 1.00 47.49 C ATOM 699 O HIS A 96 82.937 69.944 42.619 1.00 51.32 O ATOM 700 CB HIS A 96 84.214 69.116 39.881 1.00 47.84 C ATOM 701 CG HIS A 96 84.633 67.945 39.029 1.00 68.90 C ATOM 702 ND1 HIS A 96 84.004 66.713 39.079 1.00 61.91 N ATOM 703 CD2 HIS A 96 85.617 67.822 38.100 1.00 69.00 C ATOM 704 CE1 HIS A 96 84.586 65.885 38.228 1.00 55.58 C ATOM 705 NE2 HIS A 96 85.566 66.533 37.618 1.00 64.58 N ATOM 0 H HIS A 96 83.592 67.660 42.181 1.00 47.10 H new ATOM 0 HA HIS A 96 85.680 69.175 41.309 1.00 48.69 H new ATOM 0 HB2 HIS A 96 83.245 69.169 39.887 1.00 47.84 H new ATOM 0 HB3 HIS A 96 84.540 69.933 39.473 1.00 47.84 H new ATOM 0 HD2 HIS A 96 86.214 68.485 37.838 1.00 69.00 H new ATOM 0 HE1 HIS A 96 84.347 64.998 38.083 1.00 55.58 H new ATOM 0 HE2 HIS A 96 86.086 66.203 37.018 1.00 64.58 H new ATOM 706 N PHE A 97 84.745 71.251 42.390 1.00 43.09 N ATOM 707 CA PHE A 97 84.122 72.342 43.130 1.00 46.51 C ATOM 708 C PHE A 97 82.855 72.813 42.393 1.00 46.19 C ATOM 709 O PHE A 97 82.855 72.966 41.178 1.00 50.27 O ATOM 710 CB PHE A 97 85.087 73.511 43.346 1.00 46.21 C ATOM 711 CG PHE A 97 84.542 74.561 44.270 1.00 46.13 C ATOM 712 CD1 PHE A 97 83.696 75.554 43.795 1.00 44.44 C ATOM 713 CD2 PHE A 97 84.827 74.522 45.621 1.00 44.77 C ATOM 714 CE1 PHE A 97 83.156 76.488 44.647 1.00 45.08 C ATOM 715 CE2 PHE A 97 84.296 75.464 46.482 1.00 45.24 C ATOM 716 CZ PHE A 97 83.457 76.443 45.996 1.00 47.15 C ATOM 0 H PHE A 97 85.550 71.398 42.125 1.00 43.09 H new ATOM 0 HA PHE A 97 83.878 72.008 44.008 1.00 46.51 H new ATOM 0 HB2 PHE A 97 85.921 73.172 43.706 1.00 46.21 H new ATOM 0 HB3 PHE A 97 85.292 73.917 42.489 1.00 46.21 H new ATOM 0 HD1 PHE A 97 83.492 75.588 42.888 1.00 44.44 H new ATOM 0 HD2 PHE A 97 85.382 73.855 45.955 1.00 44.77 H new ATOM 0 HE1 PHE A 97 82.590 77.148 44.317 1.00 45.08 H new ATOM 0 HE2 PHE A 97 84.505 75.437 47.388 1.00 45.24 H new ATOM 0 HZ PHE A 97 83.093 77.073 46.575 1.00 47.15 H new ATOM 717 N PRO A 98 81.763 73.027 43.140 1.00 50.06 N ATOM 718 CA PRO A 98 80.431 73.298 42.571 1.00 45.95 C ATOM 719 C PRO A 98 80.297 74.610 41.797 1.00 44.69 C ATOM 720 O PRO A 98 80.967 75.594 42.119 1.00 39.77 O ATOM 721 CB PRO A 98 79.519 73.362 43.802 1.00 42.90 C ATOM 722 CG PRO A 98 80.294 72.809 44.923 1.00 48.33 C ATOM 723 CD PRO A 98 81.742 72.967 44.613 1.00 43.37 C ATOM 0 HA PRO A 98 80.219 72.613 41.918 1.00 45.95 H new ATOM 0 HB2 PRO A 98 79.250 74.276 43.985 1.00 42.90 H new ATOM 0 HB3 PRO A 98 78.707 72.851 43.658 1.00 42.90 H new ATOM 0 HG2 PRO A 98 80.073 73.270 45.747 1.00 48.33 H new ATOM 0 HG3 PRO A 98 80.077 71.873 45.055 1.00 48.33 H new ATOM 0 HD2 PRO A 98 82.108 73.773 45.010 1.00 43.37 H new ATOM 0 HD3 PRO A 98 82.264 72.222 44.949 1.00 43.37 H new ATOM 724 N CYS A 99 79.392 74.612 40.817 1.00 41.05 N ATOM 725 CA CYS A 99 78.963 75.836 40.153 1.00 44.06 C ATOM 726 C CYS A 99 78.311 76.779 41.153 1.00 42.12 C ATOM 727 O CYS A 99 78.005 76.396 42.285 1.00 41.56 O ATOM 728 CB CYS A 99 77.983 75.527 39.011 1.00 45.07 C ATOM 729 SG CYS A 99 76.304 74.982 39.527 1.00 45.99 S ATOM 0 H CYS A 99 79.011 73.900 40.520 1.00 41.05 H new ATOM 0 HA CYS A 99 79.748 76.264 39.777 1.00 44.06 H new ATOM 0 HB2 CYS A 99 77.893 76.321 38.461 1.00 45.07 H new ATOM 0 HB3 CYS A 99 78.371 74.837 38.451 1.00 45.07 H new ATOM 730 N ILE A 100 78.092 78.017 40.739 1.00 38.15 N ATOM 731 CA ILE A 100 77.610 79.015 41.663 1.00 40.61 C ATOM 732 C ILE A 100 76.194 78.653 42.137 1.00 41.94 C ATOM 733 O ILE A 100 75.836 78.889 43.290 1.00 43.21 O ATOM 734 CB ILE A 100 77.653 80.425 41.025 1.00 45.04 C ATOM 735 CG1 ILE A 100 77.283 81.487 42.047 1.00 45.23 C ATOM 736 CG2 ILE A 100 76.754 80.517 39.799 1.00 45.86 C ATOM 737 CD1 ILE A 100 78.128 81.419 43.307 1.00 48.30 C ATOM 0 H ILE A 100 78.216 78.294 39.934 1.00 38.15 H new ATOM 0 HA ILE A 100 78.193 79.032 42.438 1.00 40.61 H new ATOM 0 HB ILE A 100 78.563 80.585 40.730 1.00 45.04 H new ATOM 0 HG12 ILE A 100 77.382 82.364 41.645 1.00 45.23 H new ATOM 0 HG13 ILE A 100 76.348 81.388 42.285 1.00 45.23 H new ATOM 0 HG21 ILE A 100 76.805 81.411 39.426 1.00 45.86 H new ATOM 0 HG22 ILE A 100 77.045 79.873 39.135 1.00 45.86 H new ATOM 0 HG23 ILE A 100 75.838 80.326 40.054 1.00 45.86 H new ATOM 0 HD11 ILE A 100 77.850 82.116 43.921 1.00 48.30 H new ATOM 0 HD12 ILE A 100 78.012 80.553 43.728 1.00 48.30 H new ATOM 0 HD13 ILE A 100 79.062 81.544 43.078 1.00 48.30 H new ATOM 738 N ASN A 101 75.410 78.046 41.252 1.00 43.50 N ATOM 739 CA ASN A 101 74.033 77.688 41.561 1.00 45.17 C ATOM 740 C ASN A 101 73.986 76.622 42.645 1.00 41.31 C ATOM 741 O ASN A 101 73.200 76.708 43.581 1.00 42.32 O ATOM 742 CB ASN A 101 73.318 77.207 40.299 1.00 43.89 C ATOM 743 CG ASN A 101 71.814 77.290 40.414 1.00 59.86 C ATOM 744 OD1 ASN A 101 71.121 76.273 40.578 1.00 60.90 O ATOM 745 ND2 ASN A 101 71.294 78.527 40.372 1.00 69.67 N ATOM 0 H ASN A 101 75.661 77.831 40.458 1.00 43.50 H new ATOM 0 HA ASN A 101 73.575 78.476 41.894 1.00 45.17 H new ATOM 0 HB2 ASN A 101 73.611 77.740 39.543 1.00 43.89 H new ATOM 0 HB3 ASN A 101 73.575 76.290 40.116 1.00 43.89 H new ATOM 0 HD21 ASN A 101 70.446 78.640 40.461 1.00 69.67 H new ATOM 0 HD22 ASN A 101 71.809 79.206 40.256 1.00 69.67 H new ATOM 746 N CYS A 102 74.854 75.626 42.519 1.00 39.29 N ATOM 747 CA CYS A 102 74.945 74.547 43.492 1.00 43.05 C ATOM 748 C CYS A 102 75.473 75.052 44.829 1.00 38.96 C ATOM 749 O CYS A 102 75.051 74.611 45.902 1.00 37.33 O ATOM 750 CB CYS A 102 75.846 73.435 42.966 1.00 45.60 C ATOM 751 SG CYS A 102 75.020 72.292 41.867 1.00 47.41 S ATOM 0 H CYS A 102 75.408 75.557 41.865 1.00 39.29 H new ATOM 0 HA CYS A 102 74.051 74.196 43.631 1.00 43.05 H new ATOM 0 HB2 CYS A 102 76.597 73.833 42.499 1.00 45.60 H new ATOM 0 HB3 CYS A 102 76.209 72.942 43.718 1.00 45.60 H new ATOM 752 N THR A 103 76.394 75.997 44.740 1.00 41.16 N ATOM 753 CA THR A 103 77.018 76.577 45.902 1.00 36.28 C ATOM 754 C THR A 103 75.966 77.264 46.731 1.00 37.45 C ATOM 755 O THR A 103 75.893 77.057 47.938 1.00 39.62 O ATOM 756 CB THR A 103 78.115 77.563 45.496 1.00 38.02 C ATOM 757 OG1 THR A 103 79.194 76.833 44.899 1.00 41.96 O ATOM 758 CG2 THR A 103 78.621 78.324 46.706 1.00 33.19 C ATOM 0 H THR A 103 76.674 76.320 43.994 1.00 41.16 H new ATOM 0 HA THR A 103 77.435 75.875 46.426 1.00 36.28 H new ATOM 0 HB THR A 103 77.753 78.202 44.862 1.00 38.02 H new ATOM 0 HG1 THR A 103 78.985 76.615 44.115 1.00 41.96 H new ATOM 0 HG21 THR A 103 79.315 78.944 46.432 1.00 33.19 H new ATOM 0 HG22 THR A 103 77.889 78.817 47.108 1.00 33.19 H new ATOM 0 HG23 THR A 103 78.984 77.699 47.353 1.00 33.19 H new ATOM 759 N LYS A 104 75.146 78.074 46.072 1.00 38.98 N ATOM 760 CA LYS A 104 74.043 78.743 46.739 1.00 37.73 C ATOM 761 C LYS A 104 73.125 77.765 47.461 1.00 37.28 C ATOM 762 O LYS A 104 72.776 77.993 48.624 1.00 37.03 O ATOM 763 CB LYS A 104 73.235 79.569 45.742 1.00 39.83 C ATOM 764 CG LYS A 104 73.913 80.874 45.368 1.00 41.94 C ATOM 765 CD LYS A 104 73.020 81.755 44.515 1.00 43.04 C ATOM 766 CE LYS A 104 72.751 81.130 43.181 1.00 42.07 C ATOM 767 NZ LYS A 104 71.720 81.937 42.479 1.00 46.10 N ATOM 0 H LYS A 104 75.214 78.249 45.233 1.00 38.98 H new ATOM 0 HA LYS A 104 74.432 79.330 47.406 1.00 37.73 H new ATOM 0 HB2 LYS A 104 73.088 79.045 44.939 1.00 39.83 H new ATOM 0 HB3 LYS A 104 72.362 79.760 46.120 1.00 39.83 H new ATOM 0 HG2 LYS A 104 74.161 81.351 46.175 1.00 41.94 H new ATOM 0 HG3 LYS A 104 74.734 80.685 44.887 1.00 41.94 H new ATOM 0 HD2 LYS A 104 72.181 81.911 44.976 1.00 43.04 H new ATOM 0 HD3 LYS A 104 73.440 82.620 44.390 1.00 43.04 H new ATOM 0 HE2 LYS A 104 73.566 81.094 42.656 1.00 42.07 H new ATOM 0 HE3 LYS A 104 72.445 80.216 43.293 1.00 42.07 H new ATOM 0 HZ1 LYS A 104 71.509 81.544 41.709 1.00 46.10 H new ATOM 0 HZ2 LYS A 104 70.993 81.999 42.989 1.00 46.10 H new ATOM 0 HZ3 LYS A 104 72.040 82.752 42.318 1.00 46.10 H new ATOM 768 N ALA A 105 72.759 76.679 46.782 1.00 34.95 N ATOM 769 CA ALA A 105 71.811 75.702 47.320 1.00 39.61 C ATOM 770 C ALA A 105 72.394 74.936 48.513 1.00 39.20 C ATOM 771 O ALA A 105 71.715 74.716 49.513 1.00 37.72 O ATOM 772 CB ALA A 105 71.377 74.725 46.227 1.00 34.17 C ATOM 0 H ALA A 105 73.053 76.487 45.997 1.00 34.95 H new ATOM 0 HA ALA A 105 71.036 76.193 47.637 1.00 39.61 H new ATOM 0 HB1 ALA A 105 70.750 74.084 46.596 1.00 34.17 H new ATOM 0 HB2 ALA A 105 70.951 75.214 45.506 1.00 34.17 H new ATOM 0 HB3 ALA A 105 72.154 74.256 45.885 1.00 34.17 H new ATOM 773 N LEU A 106 73.658 74.549 48.402 1.00 39.92 N ATOM 774 CA LEU A 106 74.326 73.839 49.482 1.00 39.46 C ATOM 775 C LEU A 106 74.353 74.703 50.725 1.00 39.30 C ATOM 776 O LEU A 106 74.074 74.235 51.838 1.00 39.45 O ATOM 777 CB LEU A 106 75.739 73.454 49.072 1.00 35.91 C ATOM 778 CG LEU A 106 75.840 72.403 47.977 1.00 35.71 C ATOM 779 CD1 LEU A 106 77.199 72.479 47.329 1.00 33.38 C ATOM 780 CD2 LEU A 106 75.613 71.006 48.555 1.00 37.42 C ATOM 0 H LEU A 106 74.147 74.688 47.708 1.00 39.92 H new ATOM 0 HA LEU A 106 73.834 73.026 49.675 1.00 39.46 H new ATOM 0 HB2 LEU A 106 76.202 74.253 48.775 1.00 35.91 H new ATOM 0 HB3 LEU A 106 76.209 73.128 49.856 1.00 35.91 H new ATOM 0 HG LEU A 106 75.156 72.575 47.311 1.00 35.71 H new ATOM 0 HD11 LEU A 106 77.263 71.809 46.631 1.00 33.38 H new ATOM 0 HD12 LEU A 106 77.325 73.360 46.943 1.00 33.38 H new ATOM 0 HD13 LEU A 106 77.885 72.317 47.995 1.00 33.38 H new ATOM 0 HD21 LEU A 106 75.680 70.347 47.846 1.00 37.42 H new ATOM 0 HD22 LEU A 106 76.284 70.822 49.231 1.00 37.42 H new ATOM 0 HD23 LEU A 106 74.731 70.961 48.955 1.00 37.42 H new ATOM 781 N LEU A 107 74.672 75.976 50.523 1.00 37.41 N ATOM 782 CA LEU A 107 74.785 76.922 51.624 1.00 38.67 C ATOM 783 C LEU A 107 73.411 77.184 52.239 1.00 38.97 C ATOM 784 O LEU A 107 73.270 77.257 53.464 1.00 38.96 O ATOM 785 CB LEU A 107 75.430 78.232 51.142 1.00 36.73 C ATOM 786 CG LEU A 107 76.955 78.381 51.290 1.00 39.62 C ATOM 787 CD1 LEU A 107 77.713 77.154 50.852 1.00 43.00 C ATOM 788 CD2 LEU A 107 77.459 79.591 50.508 1.00 40.60 C ATOM 0 H LEU A 107 74.828 76.314 49.748 1.00 37.41 H new ATOM 0 HA LEU A 107 75.356 76.539 52.308 1.00 38.67 H new ATOM 0 HB2 LEU A 107 75.210 78.345 50.204 1.00 36.73 H new ATOM 0 HB3 LEU A 107 75.012 78.964 51.622 1.00 36.73 H new ATOM 0 HG LEU A 107 77.121 78.505 52.238 1.00 39.62 H new ATOM 0 HD11 LEU A 107 78.665 77.303 50.966 1.00 43.00 H new ATOM 0 HD12 LEU A 107 77.438 76.395 51.389 1.00 43.00 H new ATOM 0 HD13 LEU A 107 77.525 76.973 49.918 1.00 43.00 H new ATOM 0 HD21 LEU A 107 78.420 79.667 50.614 1.00 40.60 H new ATOM 0 HD22 LEU A 107 77.245 79.481 49.568 1.00 40.60 H new ATOM 0 HD23 LEU A 107 77.032 80.395 50.844 1.00 40.60 H new ATOM 789 N GLN A 108 72.400 77.327 51.387 1.00 36.25 N ATOM 790 CA GLN A 108 71.044 77.533 51.866 1.00 38.93 C ATOM 791 C GLN A 108 70.577 76.308 52.667 1.00 39.98 C ATOM 792 O GLN A 108 69.850 76.433 53.646 1.00 39.64 O ATOM 793 CB GLN A 108 70.100 77.810 50.692 1.00 39.96 C ATOM 794 CG GLN A 108 68.701 78.249 51.092 1.00 37.42 C ATOM 795 CD GLN A 108 68.646 79.696 51.531 1.00 39.61 C ATOM 796 OE1 GLN A 108 69.343 80.103 52.461 1.00 41.36 O ATOM 797 NE2 GLN A 108 67.824 80.487 50.858 1.00 41.14 N ATOM 0 H GLN A 108 72.481 77.308 50.531 1.00 36.25 H new ATOM 0 HA GLN A 108 71.031 78.306 52.452 1.00 38.93 H new ATOM 0 HB2 GLN A 108 70.494 78.497 50.132 1.00 39.96 H new ATOM 0 HB3 GLN A 108 70.032 77.008 50.151 1.00 39.96 H new ATOM 0 HG2 GLN A 108 68.099 78.119 50.343 1.00 37.42 H new ATOM 0 HG3 GLN A 108 68.383 77.684 51.813 1.00 37.42 H new ATOM 0 HE21 GLN A 108 67.352 80.168 50.214 1.00 41.14 H new ATOM 0 HE22 GLN A 108 67.762 81.319 51.065 1.00 41.14 H new ATOM 798 N ALA A 109 71.034 75.128 52.262 1.00 34.70 N ATOM 799 CA ALA A 109 70.664 73.882 52.938 1.00 35.38 C ATOM 800 C ALA A 109 71.354 73.656 54.291 1.00 36.64 C ATOM 801 O ALA A 109 70.992 72.730 55.015 1.00 40.09 O ATOM 802 CB ALA A 109 70.947 72.707 52.024 1.00 34.87 C ATOM 0 H ALA A 109 71.564 75.024 51.593 1.00 34.70 H new ATOM 0 HA ALA A 109 69.717 73.959 53.133 1.00 35.38 H new ATOM 0 HB1 ALA A 109 70.702 71.882 52.472 1.00 34.87 H new ATOM 0 HB2 ALA A 109 70.429 72.798 51.209 1.00 34.87 H new ATOM 0 HB3 ALA A 109 71.892 72.687 51.805 1.00 34.87 H new ATOM 803 N GLY A 110 72.337 74.489 54.632 1.00 38.31 N ATOM 804 CA GLY A 110 73.057 74.354 55.885 1.00 35.82 C ATOM 805 C GLY A 110 74.371 73.574 55.795 1.00 40.18 C ATOM 806 O GLY A 110 74.956 73.215 56.811 1.00 37.90 O ATOM 0 H GLY A 110 72.601 75.144 54.142 1.00 38.31 H new ATOM 0 HA2 GLY A 110 73.246 75.240 56.231 1.00 35.82 H new ATOM 0 HA3 GLY A 110 72.479 73.915 56.529 1.00 35.82 H new ATOM 807 N VAL A 111 74.846 73.298 54.587 1.00 36.42 N ATOM 808 CA VAL A 111 76.152 72.661 54.447 1.00 37.51 C ATOM 809 C VAL A 111 77.262 73.588 54.961 1.00 41.98 C ATOM 810 O VAL A 111 77.274 74.779 54.644 1.00 39.25 O ATOM 811 CB VAL A 111 76.425 72.275 52.996 1.00 39.47 C ATOM 812 CG1 VAL A 111 77.867 71.774 52.830 1.00 39.07 C ATOM 813 CG2 VAL A 111 75.396 71.218 52.523 1.00 38.76 C ATOM 0 H VAL A 111 74.439 73.467 53.848 1.00 36.42 H new ATOM 0 HA VAL A 111 76.144 71.852 54.982 1.00 37.51 H new ATOM 0 HB VAL A 111 76.325 73.061 52.437 1.00 39.47 H new ATOM 0 HG11 VAL A 111 78.022 71.534 51.903 1.00 39.07 H new ATOM 0 HG12 VAL A 111 78.485 72.475 53.089 1.00 39.07 H new ATOM 0 HG13 VAL A 111 78.006 70.996 53.393 1.00 39.07 H new ATOM 0 HG21 VAL A 111 75.578 70.979 51.601 1.00 38.76 H new ATOM 0 HG22 VAL A 111 75.465 70.427 53.081 1.00 38.76 H new ATOM 0 HG23 VAL A 111 74.501 71.585 52.591 1.00 38.76 H new ATOM 814 N LYS A 112 78.190 73.052 55.755 1.00 41.35 N ATOM 815 CA LYS A 112 79.135 73.913 56.461 1.00 41.43 C ATOM 816 C LYS A 112 80.563 73.755 55.957 1.00 42.80 C ATOM 817 O LYS A 112 81.450 74.521 56.320 1.00 38.23 O ATOM 818 CB LYS A 112 79.062 73.651 57.975 1.00 41.74 C ATOM 819 CG LYS A 112 77.731 74.088 58.599 1.00 40.19 C ATOM 820 CD LYS A 112 77.488 75.576 58.312 1.00 44.31 C ATOM 821 CE LYS A 112 75.999 75.979 58.337 1.00 50.42 C ATOM 822 NZ LYS A 112 75.369 75.814 59.673 1.00 55.89 N ATOM 0 H LYS A 112 78.288 72.209 55.896 1.00 41.35 H new ATOM 0 HA LYS A 112 78.877 74.830 56.281 1.00 41.43 H new ATOM 0 HB2 LYS A 112 79.195 72.705 58.141 1.00 41.74 H new ATOM 0 HB3 LYS A 112 79.788 74.121 58.414 1.00 41.74 H new ATOM 0 HG2 LYS A 112 77.004 73.557 58.237 1.00 40.19 H new ATOM 0 HG3 LYS A 112 77.746 73.933 59.556 1.00 40.19 H new ATOM 0 HD2 LYS A 112 77.969 76.106 58.967 1.00 44.31 H new ATOM 0 HD3 LYS A 112 77.859 75.794 57.443 1.00 44.31 H new ATOM 0 HE2 LYS A 112 75.916 76.905 58.059 1.00 50.42 H new ATOM 0 HE3 LYS A 112 75.514 75.444 57.689 1.00 50.42 H new ATOM 0 HZ1 LYS A 112 74.527 76.100 59.642 1.00 55.89 H new ATOM 0 HZ2 LYS A 112 75.381 74.954 59.903 1.00 55.89 H new ATOM 0 HZ3 LYS A 112 75.821 76.288 60.275 1.00 55.89 H new ATOM 823 N LYS A 113 80.785 72.783 55.088 1.00 41.72 N ATOM 824 CA LYS A 113 82.120 72.598 54.569 1.00 41.58 C ATOM 825 C LYS A 113 82.084 71.902 53.226 1.00 43.34 C ATOM 826 O LYS A 113 81.300 70.971 53.018 1.00 40.63 O ATOM 827 CB LYS A 113 82.963 71.812 55.566 1.00 45.44 C ATOM 828 CG LYS A 113 84.406 71.563 55.142 1.00 51.96 C ATOM 829 CD LYS A 113 85.089 70.681 56.179 1.00 53.15 C ATOM 830 CE LYS A 113 86.577 70.540 55.934 1.00 59.21 C ATOM 831 NZ LYS A 113 87.206 69.695 57.002 1.00 66.62 N ATOM 0 H LYS A 113 80.192 72.234 54.794 1.00 41.72 H new ATOM 0 HA LYS A 113 82.526 73.469 54.440 1.00 41.58 H new ATOM 0 HB2 LYS A 113 82.967 72.289 56.411 1.00 45.44 H new ATOM 0 HB3 LYS A 113 82.535 70.956 55.725 1.00 45.44 H new ATOM 0 HG2 LYS A 113 84.429 71.135 54.272 1.00 51.96 H new ATOM 0 HG3 LYS A 113 84.879 72.405 55.056 1.00 51.96 H new ATOM 0 HD2 LYS A 113 84.944 71.055 57.062 1.00 53.15 H new ATOM 0 HD3 LYS A 113 84.679 69.802 56.172 1.00 53.15 H new ATOM 0 HE2 LYS A 113 86.731 70.139 55.064 1.00 59.21 H new ATOM 0 HE3 LYS A 113 86.993 71.416 55.920 1.00 59.21 H new ATOM 0 HZ1 LYS A 113 88.079 69.620 56.846 1.00 66.62 H new ATOM 0 HZ2 LYS A 113 87.078 70.076 57.796 1.00 66.62 H new ATOM 0 HZ3 LYS A 113 86.834 68.886 56.998 1.00 66.62 H new ATOM 832 N ILE A 114 82.925 72.374 52.307 1.00 43.45 N ATOM 833 CA ILE A 114 83.040 71.769 50.992 1.00 43.28 C ATOM 834 C ILE A 114 84.447 71.245 50.802 1.00 47.49 C ATOM 835 O ILE A 114 85.400 72.017 50.809 1.00 49.71 O ATOM 836 CB ILE A 114 82.715 72.763 49.871 1.00 46.29 C ATOM 837 CG1 ILE A 114 81.279 73.278 50.012 1.00 40.88 C ATOM 838 CG2 ILE A 114 82.933 72.111 48.508 1.00 40.74 C ATOM 839 CD1 ILE A 114 80.984 74.491 49.139 1.00 38.54 C ATOM 0 H ILE A 114 83.441 73.051 52.432 1.00 43.45 H new ATOM 0 HA ILE A 114 82.397 71.045 50.943 1.00 43.28 H new ATOM 0 HB ILE A 114 83.314 73.523 49.943 1.00 46.29 H new ATOM 0 HG12 ILE A 114 80.663 72.565 49.783 1.00 40.88 H new ATOM 0 HG13 ILE A 114 81.114 73.508 50.940 1.00 40.88 H new ATOM 0 HG21 ILE A 114 82.725 72.748 47.807 1.00 40.74 H new ATOM 0 HG22 ILE A 114 83.859 71.833 48.427 1.00 40.74 H new ATOM 0 HG23 ILE A 114 82.354 71.337 48.423 1.00 40.74 H new ATOM 0 HD11 ILE A 114 80.064 74.769 49.271 1.00 38.54 H new ATOM 0 HD12 ILE A 114 81.579 75.217 49.382 1.00 38.54 H new ATOM 0 HD13 ILE A 114 81.120 74.260 48.207 1.00 38.54 H new ATOM 840 N THR A 115 84.584 69.932 50.662 1.00 44.84 N ATOM 841 CA THR A 115 85.878 69.349 50.336 1.00 42.40 C ATOM 842 C THR A 115 85.830 68.856 48.892 1.00 43.62 C ATOM 843 O THR A 115 84.937 68.107 48.513 1.00 44.32 O ATOM 844 CB THR A 115 86.247 68.205 51.304 1.00 44.50 C ATOM 845 OG1 THR A 115 86.223 68.698 52.649 1.00 45.17 O ATOM 846 CG2 THR A 115 87.641 67.642 50.998 1.00 44.18 C ATOM 0 H THR A 115 83.944 69.364 50.751 1.00 44.84 H new ATOM 0 HA THR A 115 86.569 70.023 50.432 1.00 42.40 H new ATOM 0 HB THR A 115 85.599 67.492 51.193 1.00 44.50 H new ATOM 0 HG1 THR A 115 86.422 68.077 53.179 1.00 45.17 H new ATOM 0 HG21 THR A 115 87.845 66.927 51.621 1.00 44.18 H new ATOM 0 HG22 THR A 115 87.659 67.296 50.092 1.00 44.18 H new ATOM 0 HG23 THR A 115 88.302 68.347 51.088 1.00 44.18 H new ATOM 847 N TYR A 116 86.789 69.292 48.085 1.00 47.09 N ATOM 848 CA TYR A 116 86.749 69.034 46.654 1.00 48.08 C ATOM 849 C TYR A 116 88.062 68.477 46.141 1.00 51.41 C ATOM 850 O TYR A 116 89.127 68.787 46.669 1.00 55.38 O ATOM 851 CB TYR A 116 86.416 70.318 45.896 1.00 44.75 C ATOM 852 CG TYR A 116 87.451 71.392 46.102 1.00 51.93 C ATOM 853 CD1 TYR A 116 87.358 72.275 47.175 1.00 50.87 C ATOM 854 CD2 TYR A 116 88.536 71.514 45.240 1.00 52.14 C ATOM 855 CE1 TYR A 116 88.305 73.255 47.378 1.00 50.54 C ATOM 856 CE2 TYR A 116 89.495 72.482 45.444 1.00 51.40 C ATOM 857 CZ TYR A 116 89.369 73.359 46.501 1.00 52.90 C ATOM 858 OH TYR A 116 90.318 74.332 46.688 1.00 51.81 O ATOM 0 H TYR A 116 87.474 69.741 48.348 1.00 47.09 H new ATOM 0 HA TYR A 116 86.059 68.370 46.502 1.00 48.08 H new ATOM 0 HB2 TYR A 116 86.342 70.121 44.949 1.00 44.75 H new ATOM 0 HB3 TYR A 116 85.551 70.647 46.186 1.00 44.75 H new ATOM 0 HD1 TYR A 116 86.643 72.202 47.766 1.00 50.87 H new ATOM 0 HD2 TYR A 116 88.615 70.935 44.517 1.00 52.14 H new ATOM 0 HE1 TYR A 116 88.229 73.840 48.097 1.00 50.54 H new ATOM 0 HE2 TYR A 116 90.225 72.544 44.871 1.00 51.40 H new ATOM 0 HH TYR A 116 90.900 74.275 46.085 1.00 51.81 H new ATOM 859 N ASN A 117 87.984 67.683 45.081 1.00 51.50 N ATOM 860 CA ASN A 117 89.169 67.087 44.485 1.00 53.16 C ATOM 861 C ASN A 117 89.854 68.039 43.519 1.00 53.71 C ATOM 862 O ASN A 117 91.033 68.345 43.656 1.00 57.74 O ATOM 863 CB ASN A 117 88.806 65.793 43.764 1.00 53.08 C ATOM 864 CG ASN A 117 90.005 65.139 43.106 1.00 55.16 C ATOM 865 OD1 ASN A 117 91.074 65.015 43.710 1.00 59.05 O ATOM 866 ND2 ASN A 117 89.834 64.720 41.859 1.00 53.51 N ATOM 0 H ASN A 117 87.247 67.476 44.689 1.00 51.50 H new ATOM 0 HA ASN A 117 89.789 66.893 45.205 1.00 53.16 H new ATOM 0 HB2 ASN A 117 88.410 65.174 44.397 1.00 53.08 H new ATOM 0 HB3 ASN A 117 88.133 65.979 43.091 1.00 53.08 H new ATOM 0 HD21 ASN A 117 90.483 64.344 41.439 1.00 53.51 H new ATOM 0 HD22 ASN A 117 89.074 64.824 41.471 1.00 53.51 H new ATOM 867 N THR A 118 89.092 68.497 42.541 1.00 52.94 N ATOM 868 CA THR A 118 89.578 69.430 41.553 1.00 57.83 C ATOM 869 C THR A 118 88.707 70.663 41.576 1.00 58.50 C ATOM 870 O THR A 118 87.483 70.592 41.472 1.00 55.07 O ATOM 871 CB THR A 118 89.587 68.823 40.124 1.00 54.84 C ATOM 872 OG1 THR A 118 88.248 68.653 39.653 1.00 57.42 O ATOM 873 CG2 THR A 118 90.268 67.475 40.113 1.00 53.87 C ATOM 0 H THR A 118 88.269 68.270 42.434 1.00 52.94 H new ATOM 0 HA THR A 118 90.495 69.653 41.776 1.00 57.83 H new ATOM 0 HB THR A 118 90.072 69.435 39.548 1.00 54.84 H new ATOM 0 HG1 THR A 118 87.802 68.227 40.223 1.00 57.42 H new ATOM 0 HG21 THR A 118 90.261 67.116 39.212 1.00 53.87 H new ATOM 0 HG22 THR A 118 91.185 67.573 40.415 1.00 53.87 H new ATOM 0 HG23 THR A 118 89.796 66.869 40.705 1.00 53.87 H new ATOM 874 N ALA A 119 89.345 71.800 41.775 1.00 61.16 N ATOM 875 CA ALA A 119 88.687 73.056 41.541 1.00 59.66 C ATOM 876 C ALA A 119 89.492 73.709 40.476 1.00 74.23 C ATOM 877 O ALA A 119 90.715 73.511 40.339 1.00 77.14 O ATOM 878 CB ALA A 119 88.609 73.924 42.772 1.00 57.93 C ATOM 0 H ALA A 119 90.159 71.862 42.045 1.00 61.16 H new ATOM 0 HA ALA A 119 87.762 72.918 41.285 1.00 59.66 H new ATOM 0 HB1 ALA A 119 88.157 74.754 42.555 1.00 57.93 H new ATOM 0 HB2 ALA A 119 88.115 73.459 43.465 1.00 57.93 H new ATOM 0 HB3 ALA A 119 89.505 74.118 43.089 1.00 57.93 H new ATOM 879 N TYR A 120 88.777 74.504 39.722 1.00 76.66 N ATOM 880 CA TYR A 120 89.334 75.070 38.555 1.00 84.41 C ATOM 881 C TYR A 120 89.450 76.605 38.711 1.00 88.44 C ATOM 882 O TYR A 120 90.561 77.104 38.848 1.00 89.83 O ATOM 883 CB TYR A 120 88.466 74.621 37.403 1.00 89.57 C ATOM 884 CG TYR A 120 88.502 75.549 36.276 1.00102.26 C ATOM 885 CD1 TYR A 120 89.568 75.553 35.390 1.00105.56 C ATOM 886 CD2 TYR A 120 87.522 76.512 36.185 1.00105.02 C ATOM 887 CE1 TYR A 120 89.638 76.462 34.390 1.00105.67 C ATOM 888 CE2 TYR A 120 87.500 77.412 35.185 1.00107.37 C ATOM 889 CZ TYR A 120 88.574 77.402 34.277 1.00111.14 C ATOM 890 OH TYR A 120 88.586 78.319 33.254 1.00116.22 O ATOM 0 H TYR A 120 87.961 74.724 39.879 1.00 76.66 H new ATOM 0 HA TYR A 120 90.242 74.772 38.388 1.00 84.41 H new ATOM 0 HB2 TYR A 120 88.758 73.745 37.105 1.00 89.57 H new ATOM 0 HB3 TYR A 120 87.551 74.526 37.710 1.00 89.57 H new ATOM 0 HD1 TYR A 120 90.245 74.922 35.484 1.00105.56 H new ATOM 0 HD2 TYR A 120 86.856 76.541 36.833 1.00105.02 H new ATOM 0 HE1 TYR A 120 90.355 76.473 33.798 1.00105.67 H new ATOM 0 HE2 TYR A 120 86.800 78.018 35.097 1.00107.37 H new ATOM 0 HH TYR A 120 87.904 78.807 33.307 1.00116.22 H new ATOM 891 N ARG A 121 88.328 77.331 38.727 1.00 84.30 N ATOM 892 CA ARG A 121 88.278 78.724 39.159 1.00 80.36 C ATOM 893 C ARG A 121 87.075 78.935 40.033 1.00 74.32 C ATOM 894 O ARG A 121 85.947 78.766 39.576 1.00 74.74 O ATOM 895 CB ARG A 121 88.162 79.710 38.007 1.00 91.64 C ATOM 896 CG ARG A 121 88.600 81.109 38.492 1.00 95.15 C ATOM 897 CD ARG A 121 88.313 82.409 37.697 1.00102.60 C ATOM 898 NE ARG A 121 88.737 82.590 36.328 1.00110.63 N ATOM 899 CZ ARG A 121 89.545 83.565 35.909 1.00115.30 C ATOM 900 NH1 ARG A 121 90.067 84.404 36.789 1.00113.92 N ATOM 901 NH2 ARG A 121 89.830 83.696 34.596 1.00115.37 N ATOM 0 H ARG A 121 87.565 77.019 38.483 1.00 84.30 H new ATOM 0 HA ARG A 121 89.112 78.888 39.626 1.00 80.36 H new ATOM 0 HB2 ARG A 121 88.717 79.424 37.265 1.00 91.64 H new ATOM 0 HB3 ARG A 121 87.248 79.739 37.683 1.00 91.64 H new ATOM 0 HG2 ARG A 121 88.206 81.231 39.370 1.00 95.15 H new ATOM 0 HG3 ARG A 121 89.561 81.069 38.615 1.00 95.15 H new ATOM 0 HD2 ARG A 121 87.351 82.535 37.709 1.00102.60 H new ATOM 0 HD3 ARG A 121 88.701 83.138 38.207 1.00102.60 H new ATOM 0 HE ARG A 121 88.448 82.030 35.742 1.00110.63 H new ATOM 0 HH11 ARG A 121 89.885 84.319 37.625 1.00113.92 H new ATOM 0 HH12 ARG A 121 90.589 85.035 36.525 1.00113.92 H new ATOM 0 HH21 ARG A 121 89.490 83.149 34.026 1.00115.37 H new ATOM 0 HH22 ARG A 121 90.351 84.326 34.330 1.00115.37 H new ATOM 902 N ILE A 122 87.304 79.290 41.287 1.00 67.06 N ATOM 903 CA ILE A 122 86.204 79.512 42.190 1.00 58.82 C ATOM 904 C ILE A 122 85.682 80.922 41.988 1.00 55.60 C ATOM 905 O ILE A 122 86.411 81.886 42.137 1.00 58.72 O ATOM 906 CB ILE A 122 86.615 79.294 43.656 1.00 55.11 C ATOM 907 CG1 ILE A 122 87.082 77.855 43.868 1.00 52.21 C ATOM 908 CG2 ILE A 122 85.452 79.627 44.594 1.00 49.09 C ATOM 909 CD1 ILE A 122 87.752 77.621 45.194 1.00 55.43 C ATOM 0 H ILE A 122 88.085 79.406 41.628 1.00 67.06 H new ATOM 0 HA ILE A 122 85.506 78.868 41.994 1.00 58.82 H new ATOM 0 HB ILE A 122 87.352 79.890 43.862 1.00 55.11 H new ATOM 0 HG12 ILE A 122 86.318 77.262 43.792 1.00 52.21 H new ATOM 0 HG13 ILE A 122 87.698 77.616 43.158 1.00 52.21 H new ATOM 0 HG21 ILE A 122 85.727 79.485 45.513 1.00 49.09 H new ATOM 0 HG22 ILE A 122 85.194 80.554 44.474 1.00 49.09 H new ATOM 0 HG23 ILE A 122 84.697 79.053 44.390 1.00 49.09 H new ATOM 0 HD11 ILE A 122 88.021 76.692 45.261 1.00 55.43 H new ATOM 0 HD12 ILE A 122 88.534 78.190 45.266 1.00 55.43 H new ATOM 0 HD13 ILE A 122 87.133 77.830 45.911 1.00 55.43 H new ATOM 910 N HIS A 123 84.424 81.014 41.589 1.00 53.88 N ATOM 911 CA HIS A 123 83.703 82.272 41.431 1.00 56.22 C ATOM 912 C HIS A 123 83.936 83.247 42.609 1.00 53.12 C ATOM 913 O HIS A 123 83.815 82.854 43.767 1.00 51.07 O ATOM 914 CB HIS A 123 82.214 81.927 41.308 1.00 58.68 C ATOM 915 CG HIS A 123 81.422 82.836 40.421 1.00 65.36 C ATOM 916 ND1 HIS A 123 81.050 84.113 40.796 1.00 66.49 N ATOM 917 CD2 HIS A 123 80.872 82.625 39.199 1.00 68.62 C ATOM 918 CE1 HIS A 123 80.330 84.658 39.829 1.00 71.05 C ATOM 919 NE2 HIS A 123 80.204 83.776 38.851 1.00 70.86 N ATOM 0 H HIS A 123 83.948 80.325 41.395 1.00 53.88 H new ATOM 0 HA HIS A 123 84.029 82.730 40.640 1.00 56.22 H new ATOM 0 HB2 HIS A 123 82.133 81.020 40.973 1.00 58.68 H new ATOM 0 HB3 HIS A 123 81.820 81.938 42.194 1.00 58.68 H new ATOM 0 HD2 HIS A 123 80.935 81.848 38.692 1.00 68.62 H new ATOM 0 HE1 HIS A 123 79.973 85.517 39.836 1.00 71.05 H new ATOM 0 HE2 HIS A 123 79.774 83.902 38.117 1.00 70.86 H new ATOM 920 N PRO A 124 84.266 84.518 42.325 1.00 51.87 N ATOM 921 CA PRO A 124 84.355 85.509 43.413 1.00 49.77 C ATOM 922 C PRO A 124 83.052 85.611 44.214 1.00 48.23 C ATOM 923 O PRO A 124 83.086 85.817 45.424 1.00 44.98 O ATOM 924 CB PRO A 124 84.637 86.830 42.679 1.00 49.30 C ATOM 925 CG PRO A 124 85.253 86.408 41.376 1.00 55.45 C ATOM 926 CD PRO A 124 84.578 85.107 41.011 1.00 56.31 C ATOM 0 HA PRO A 124 85.036 85.271 44.062 1.00 49.77 H new ATOM 0 HB2 PRO A 124 83.822 87.337 42.537 1.00 49.30 H new ATOM 0 HB3 PRO A 124 85.238 87.396 43.188 1.00 49.30 H new ATOM 0 HG2 PRO A 124 85.112 87.079 40.690 1.00 55.45 H new ATOM 0 HG3 PRO A 124 86.212 86.291 41.465 1.00 55.45 H new ATOM 0 HD2 PRO A 124 83.777 85.253 40.483 1.00 56.31 H new ATOM 0 HD3 PRO A 124 85.161 84.534 40.489 1.00 56.31 H new ATOM 927 N PHE A 125 81.913 85.469 43.547 1.00 46.13 N ATOM 928 CA PHE A 125 80.646 85.499 44.264 1.00 49.95 C ATOM 929 C PHE A 125 80.532 84.319 45.237 1.00 41.59 C ATOM 930 O PHE A 125 80.014 84.466 46.330 1.00 42.31 O ATOM 931 CB PHE A 125 79.458 85.502 43.301 1.00 47.29 C ATOM 932 CG PHE A 125 78.141 85.686 43.991 1.00 48.23 C ATOM 933 CD1 PHE A 125 78.020 86.594 45.037 1.00 50.51 C ATOM 934 CD2 PHE A 125 77.030 84.966 43.606 1.00 49.22 C ATOM 935 CE1 PHE A 125 76.806 86.778 45.696 1.00 52.41 C ATOM 936 CE2 PHE A 125 75.809 85.142 44.257 1.00 50.24 C ATOM 937 CZ PHE A 125 75.698 86.045 45.303 1.00 48.76 C ATOM 0 H PHE A 125 81.851 85.356 42.697 1.00 46.13 H new ATOM 0 HA PHE A 125 80.626 86.324 44.774 1.00 49.95 H new ATOM 0 HB2 PHE A 125 79.578 86.212 42.651 1.00 47.29 H new ATOM 0 HB3 PHE A 125 79.445 84.666 42.809 1.00 47.29 H new ATOM 0 HD1 PHE A 125 78.763 87.087 45.302 1.00 50.51 H new ATOM 0 HD2 PHE A 125 77.095 84.357 42.906 1.00 49.22 H new ATOM 0 HE1 PHE A 125 76.740 87.388 46.395 1.00 52.41 H new ATOM 0 HE2 PHE A 125 75.066 84.651 43.988 1.00 50.24 H new ATOM 0 HZ PHE A 125 74.884 86.158 45.739 1.00 48.76 H new ATOM 938 N ALA A 126 81.031 83.155 44.839 1.00 43.99 N ATOM 939 CA ALA A 126 81.050 81.988 45.722 1.00 43.13 C ATOM 940 C ALA A 126 81.958 82.208 46.951 1.00 46.01 C ATOM 941 O ALA A 126 81.610 81.825 48.083 1.00 47.58 O ATOM 942 CB ALA A 126 81.493 80.743 44.936 1.00 45.11 C ATOM 0 H ALA A 126 81.365 83.017 44.059 1.00 43.99 H new ATOM 0 HA ALA A 126 80.149 81.852 46.054 1.00 43.13 H new ATOM 0 HB1 ALA A 126 81.503 79.974 45.527 1.00 45.11 H new ATOM 0 HB2 ALA A 126 80.873 80.582 44.208 1.00 45.11 H new ATOM 0 HB3 ALA A 126 82.383 80.886 44.577 1.00 45.11 H new ATOM 943 N ILE A 127 83.118 82.826 46.732 1.00 43.19 N ATOM 944 CA ILE A 127 84.015 83.175 47.839 1.00 43.91 C ATOM 945 C ILE A 127 83.328 84.131 48.822 1.00 41.33 C ATOM 946 O ILE A 127 83.456 83.984 50.030 1.00 41.97 O ATOM 947 CB ILE A 127 85.325 83.798 47.312 1.00 46.03 C ATOM 948 CG1 ILE A 127 86.134 82.734 46.575 1.00 46.02 C ATOM 949 CG2 ILE A 127 86.150 84.397 48.444 1.00 42.01 C ATOM 950 CD1 ILE A 127 87.310 83.285 45.870 1.00 49.96 C ATOM 0 H ILE A 127 83.405 83.052 45.954 1.00 43.19 H new ATOM 0 HA ILE A 127 84.234 82.356 48.311 1.00 43.91 H new ATOM 0 HB ILE A 127 85.099 84.517 46.701 1.00 46.03 H new ATOM 0 HG12 ILE A 127 86.429 82.063 47.210 1.00 46.02 H new ATOM 0 HG13 ILE A 127 85.560 82.285 45.934 1.00 46.02 H new ATOM 0 HG21 ILE A 127 86.965 84.780 48.083 1.00 42.01 H new ATOM 0 HG22 ILE A 127 85.636 85.090 48.887 1.00 42.01 H new ATOM 0 HG23 ILE A 127 86.375 83.703 49.083 1.00 42.01 H new ATOM 0 HD11 ILE A 127 87.784 82.567 45.422 1.00 49.96 H new ATOM 0 HD12 ILE A 127 87.018 83.938 45.215 1.00 49.96 H new ATOM 0 HD13 ILE A 127 87.901 83.712 46.510 1.00 49.96 H new ATOM 951 N GLU A 128 82.584 85.095 48.297 1.00 37.67 N ATOM 952 CA GLU A 128 81.831 86.025 49.128 1.00 40.02 C ATOM 953 C GLU A 128 80.780 85.290 49.989 1.00 43.17 C ATOM 954 O GLU A 128 80.716 85.472 51.209 1.00 42.79 O ATOM 955 CB GLU A 128 81.150 87.078 48.245 1.00 41.67 C ATOM 956 CG GLU A 128 80.227 88.003 49.011 1.00 44.90 C ATOM 957 CD GLU A 128 79.599 89.079 48.150 1.00 41.89 C ATOM 958 OE1 GLU A 128 79.933 89.179 46.947 1.00 44.32 O ATOM 959 OE2 GLU A 128 78.780 89.842 48.695 1.00 51.26 O ATOM 0 H GLU A 128 82.501 85.229 47.452 1.00 37.67 H new ATOM 0 HA GLU A 128 82.453 86.463 49.730 1.00 40.02 H new ATOM 0 HB2 GLU A 128 81.831 87.607 47.801 1.00 41.67 H new ATOM 0 HB3 GLU A 128 80.643 86.629 47.551 1.00 41.67 H new ATOM 0 HG2 GLU A 128 79.524 87.478 49.423 1.00 44.90 H new ATOM 0 HG3 GLU A 128 80.725 88.423 49.729 1.00 44.90 H new ATOM 960 N LEU A 129 79.969 84.454 49.344 1.00 38.92 N ATOM 961 CA LEU A 129 78.939 83.680 50.043 1.00 41.91 C ATOM 962 C LEU A 129 79.548 82.766 51.119 1.00 41.94 C ATOM 963 O LEU A 129 79.109 82.768 52.267 1.00 40.95 O ATOM 964 CB LEU A 129 78.129 82.854 49.044 1.00 32.13 C ATOM 965 CG LEU A 129 77.113 83.573 48.149 1.00 39.83 C ATOM 966 CD1 LEU A 129 76.571 82.602 47.109 1.00 39.66 C ATOM 967 CD2 LEU A 129 75.977 84.143 48.978 1.00 39.19 C ATOM 0 H LEU A 129 79.998 84.319 48.495 1.00 38.92 H new ATOM 0 HA LEU A 129 78.350 84.308 50.489 1.00 41.91 H new ATOM 0 HB2 LEU A 129 78.757 82.393 48.466 1.00 32.13 H new ATOM 0 HB3 LEU A 129 77.651 82.173 49.544 1.00 32.13 H new ATOM 0 HG LEU A 129 77.558 84.309 47.699 1.00 39.83 H new ATOM 0 HD11 LEU A 129 75.928 83.058 46.544 1.00 39.66 H new ATOM 0 HD12 LEU A 129 77.302 82.270 46.564 1.00 39.66 H new ATOM 0 HD13 LEU A 129 76.137 81.858 47.556 1.00 39.66 H new ATOM 0 HD21 LEU A 129 75.345 84.593 48.396 1.00 39.19 H new ATOM 0 HD22 LEU A 129 75.527 83.424 49.448 1.00 39.19 H new ATOM 0 HD23 LEU A 129 76.332 84.777 49.621 1.00 39.19 H new ATOM 968 N MET A 130 80.565 81.999 50.746 1.00 38.15 N ATOM 969 CA MET A 130 81.228 81.120 51.704 1.00 44.67 C ATOM 970 C MET A 130 81.820 81.897 52.873 1.00 40.83 C ATOM 971 O MET A 130 81.791 81.417 54.014 1.00 41.65 O ATOM 972 CB MET A 130 82.316 80.287 51.018 1.00 39.43 C ATOM 973 CG MET A 130 81.741 79.227 50.108 1.00 39.41 C ATOM 974 SD MET A 130 82.972 78.054 49.546 1.00 48.48 S ATOM 975 CE MET A 130 83.924 79.129 48.455 1.00 48.75 C ATOM 0 H MET A 130 80.886 81.971 49.949 1.00 38.15 H new ATOM 0 HA MET A 130 80.551 80.522 52.058 1.00 44.67 H new ATOM 0 HB2 MET A 130 82.893 80.873 50.504 1.00 39.43 H new ATOM 0 HB3 MET A 130 82.870 79.865 51.693 1.00 39.43 H new ATOM 0 HG2 MET A 130 81.037 78.752 50.576 1.00 39.41 H new ATOM 0 HG3 MET A 130 81.332 79.654 49.339 1.00 39.41 H new ATOM 0 HE1 MET A 130 84.582 78.602 47.975 1.00 48.75 H new ATOM 0 HE2 MET A 130 83.328 79.556 47.820 1.00 48.75 H new ATOM 0 HE3 MET A 130 84.375 79.808 48.982 1.00 48.75 H new ATOM 976 N THR A 131 82.339 83.094 52.602 1.00 39.24 N ATOM 977 CA THR A 131 82.877 83.941 53.676 1.00 39.42 C ATOM 978 C THR A 131 81.754 84.345 54.629 1.00 40.27 C ATOM 979 O THR A 131 81.885 84.229 55.845 1.00 45.88 O ATOM 980 CB THR A 131 83.571 85.219 53.136 1.00 41.35 C ATOM 981 OG1 THR A 131 84.700 84.862 52.329 1.00 43.63 O ATOM 982 CG2 THR A 131 84.041 86.089 54.273 1.00 38.61 C ATOM 0 H THR A 131 82.391 83.434 51.814 1.00 39.24 H new ATOM 0 HA THR A 131 83.547 83.416 54.142 1.00 39.42 H new ATOM 0 HB THR A 131 82.926 85.709 52.603 1.00 41.35 H new ATOM 0 HG1 THR A 131 84.433 84.560 51.592 1.00 43.63 H new ATOM 0 HG21 THR A 131 84.472 86.882 53.917 1.00 38.61 H new ATOM 0 HG22 THR A 131 83.281 86.350 54.816 1.00 38.61 H new ATOM 0 HG23 THR A 131 84.673 85.595 54.818 1.00 38.61 H new ATOM 983 N GLN A 132 80.641 84.804 54.072 1.00 43.99 N ATOM 984 CA GLN A 132 79.504 85.221 54.887 1.00 45.80 C ATOM 985 C GLN A 132 78.844 84.067 55.645 1.00 44.94 C ATOM 986 O GLN A 132 78.284 84.276 56.717 1.00 46.40 O ATOM 987 CB GLN A 132 78.468 85.933 54.014 1.00 47.71 C ATOM 988 CG GLN A 132 78.909 87.333 53.619 1.00 48.82 C ATOM 989 CD GLN A 132 77.790 88.160 53.036 1.00 52.97 C ATOM 990 OE1 GLN A 132 77.182 87.781 52.034 1.00 55.39 O ATOM 991 NE2 GLN A 132 77.505 89.301 53.662 1.00 51.58 N ATOM 0 H GLN A 132 80.522 84.883 53.224 1.00 43.99 H new ATOM 0 HA GLN A 132 79.853 85.829 55.557 1.00 45.80 H new ATOM 0 HB2 GLN A 132 78.308 85.409 53.214 1.00 47.71 H new ATOM 0 HB3 GLN A 132 77.626 85.985 54.492 1.00 47.71 H new ATOM 0 HG2 GLN A 132 79.267 87.786 54.398 1.00 48.82 H new ATOM 0 HG3 GLN A 132 79.629 87.270 52.972 1.00 48.82 H new ATOM 0 HE21 GLN A 132 77.952 89.532 54.359 1.00 51.58 H new ATOM 0 HE22 GLN A 132 76.874 89.806 53.369 1.00 51.58 H new ATOM 992 N LYS A 133 78.900 82.857 55.098 1.00 40.07 N ATOM 993 CA LYS A 133 78.285 81.721 55.767 1.00 42.20 C ATOM 994 C LYS A 133 79.307 80.998 56.621 1.00 44.82 C ATOM 995 O LYS A 133 78.992 79.986 57.244 1.00 44.52 O ATOM 996 CB LYS A 133 77.659 80.752 54.756 1.00 41.50 C ATOM 997 CG LYS A 133 76.463 81.318 53.976 1.00 44.31 C ATOM 998 CD LYS A 133 75.244 81.557 54.874 1.00 43.80 C ATOM 999 CE LYS A 133 74.513 80.270 55.249 1.00 45.76 C ATOM 1000 NZ LYS A 133 73.424 80.554 56.235 1.00 38.71 N ATOM 0 H LYS A 133 79.284 82.675 54.350 1.00 40.07 H new ATOM 0 HA LYS A 133 77.577 82.058 56.338 1.00 42.20 H new ATOM 0 HB2 LYS A 133 78.342 80.479 54.123 1.00 41.50 H new ATOM 0 HB3 LYS A 133 77.373 79.953 55.227 1.00 41.50 H new ATOM 0 HG2 LYS A 133 76.720 82.153 53.554 1.00 44.31 H new ATOM 0 HG3 LYS A 133 76.223 80.703 53.265 1.00 44.31 H new ATOM 0 HD2 LYS A 133 75.530 82.008 55.684 1.00 43.80 H new ATOM 0 HD3 LYS A 133 74.627 82.152 54.420 1.00 43.80 H new ATOM 0 HE2 LYS A 133 74.138 79.861 54.453 1.00 45.76 H new ATOM 0 HE3 LYS A 133 75.140 79.633 55.626 1.00 45.76 H new ATOM 0 HZ1 LYS A 133 72.843 79.880 56.238 1.00 38.71 H new ATOM 0 HZ2 LYS A 133 73.775 80.646 57.048 1.00 38.71 H new ATOM 0 HZ3 LYS A 133 73.005 81.305 56.007 1.00 38.71 H new ATOM 1001 N GLU A 134 80.530 81.530 56.647 1.00 47.60 N ATOM 1002 CA GLU A 134 81.649 80.898 57.353 1.00 48.73 C ATOM 1003 C GLU A 134 81.795 79.431 56.973 1.00 43.17 C ATOM 1004 O GLU A 134 81.906 78.572 57.832 1.00 43.32 O ATOM 1005 CB GLU A 134 81.482 81.019 58.871 1.00 49.24 C ATOM 1006 CG GLU A 134 81.391 82.445 59.378 1.00 53.15 C ATOM 1007 CD GLU A 134 81.246 82.511 60.885 1.00 66.71 C ATOM 1008 OE1 GLU A 134 81.851 81.666 61.584 1.00 71.99 O ATOM 1009 OE2 GLU A 134 80.519 83.403 61.372 1.00 71.66 O ATOM 0 H GLU A 134 80.735 82.268 56.256 1.00 47.60 H new ATOM 0 HA GLU A 134 82.454 81.368 57.084 1.00 48.73 H new ATOM 0 HB2 GLU A 134 80.681 80.541 59.137 1.00 49.24 H new ATOM 0 HB3 GLU A 134 82.231 80.580 59.304 1.00 49.24 H new ATOM 0 HG2 GLU A 134 82.185 82.933 59.110 1.00 53.15 H new ATOM 0 HG3 GLU A 134 80.634 82.886 58.963 1.00 53.15 H new ATOM 1010 N VAL A 135 81.782 79.161 55.676 1.00 44.68 N ATOM 1011 CA VAL A 135 81.914 77.810 55.158 1.00 45.04 C ATOM 1012 C VAL A 135 83.348 77.550 54.704 1.00 49.19 C ATOM 1013 O VAL A 135 83.882 78.284 53.871 1.00 48.55 O ATOM 1014 CB VAL A 135 80.942 77.586 53.971 1.00 47.66 C ATOM 1015 CG1 VAL A 135 81.347 76.372 53.142 1.00 39.10 C ATOM 1016 CG2 VAL A 135 79.500 77.495 54.476 1.00 43.75 C ATOM 0 H VAL A 135 81.696 79.762 55.067 1.00 44.68 H new ATOM 0 HA VAL A 135 81.691 77.190 55.870 1.00 45.04 H new ATOM 0 HB VAL A 135 80.995 78.351 53.377 1.00 47.66 H new ATOM 0 HG11 VAL A 135 80.722 76.257 52.409 1.00 39.10 H new ATOM 0 HG12 VAL A 135 82.240 76.505 52.787 1.00 39.10 H new ATOM 0 HG13 VAL A 135 81.337 75.580 53.702 1.00 39.10 H new ATOM 0 HG21 VAL A 135 78.902 77.355 53.725 1.00 43.75 H new ATOM 0 HG22 VAL A 135 79.420 76.753 55.095 1.00 43.75 H new ATOM 0 HG23 VAL A 135 79.263 78.320 54.928 1.00 43.75 H new ATOM 1017 N GLU A 136 83.974 76.513 55.247 1.00 46.18 N ATOM 1018 CA GLU A 136 85.336 76.179 54.853 1.00 51.44 C ATOM 1019 C GLU A 136 85.341 75.419 53.539 1.00 49.30 C ATOM 1020 O GLU A 136 84.470 74.586 53.287 1.00 51.96 O ATOM 1021 CB GLU A 136 86.033 75.347 55.935 1.00 53.29 C ATOM 1022 CG GLU A 136 86.189 76.066 57.273 1.00 66.70 C ATOM 1023 CD GLU A 136 86.647 75.139 58.402 1.00 84.49 C ATOM 1024 OE1 GLU A 136 86.349 73.918 58.355 1.00 71.36 O ATOM 1025 OE2 GLU A 136 87.296 75.644 59.350 1.00 88.32 O ATOM 0 H GLU A 136 83.631 75.994 55.841 1.00 46.18 H new ATOM 0 HA GLU A 136 85.823 77.010 54.740 1.00 51.44 H new ATOM 0 HB2 GLU A 136 85.529 74.530 56.075 1.00 53.29 H new ATOM 0 HB3 GLU A 136 86.911 75.088 55.614 1.00 53.29 H new ATOM 0 HG2 GLU A 136 86.830 76.787 57.174 1.00 66.70 H new ATOM 0 HG3 GLU A 136 85.342 76.471 57.517 1.00 66.70 H new ATOM 1026 N TYR A 137 86.323 75.704 52.699 1.00 46.64 N ATOM 1027 CA TYR A 137 86.528 74.904 51.503 1.00 46.40 C ATOM 1028 C TYR A 137 87.985 74.468 51.432 1.00 51.70 C ATOM 1029 O TYR A 137 88.885 75.263 51.703 1.00 54.73 O ATOM 1030 CB TYR A 137 86.115 75.667 50.239 1.00 48.07 C ATOM 1031 CG TYR A 137 86.707 77.058 50.056 1.00 50.69 C ATOM 1032 CD1 TYR A 137 86.259 78.141 50.814 1.00 52.76 C ATOM 1033 CD2 TYR A 137 87.687 77.295 49.095 1.00 51.48 C ATOM 1034 CE1 TYR A 137 86.785 79.422 50.628 1.00 57.95 C ATOM 1035 CE2 TYR A 137 88.221 78.574 48.901 1.00 54.55 C ATOM 1036 CZ TYR A 137 87.768 79.628 49.668 1.00 59.82 C ATOM 1037 OH TYR A 137 88.291 80.893 49.477 1.00 70.15 O ATOM 0 H TYR A 137 86.879 76.352 52.801 1.00 46.64 H new ATOM 0 HA TYR A 137 85.963 74.117 51.553 1.00 46.40 H new ATOM 0 HB2 TYR A 137 86.358 75.131 49.468 1.00 48.07 H new ATOM 0 HB3 TYR A 137 85.148 75.746 50.235 1.00 48.07 H new ATOM 0 HD1 TYR A 137 85.598 78.008 51.455 1.00 52.76 H new ATOM 0 HD2 TYR A 137 87.993 76.589 48.572 1.00 51.48 H new ATOM 0 HE1 TYR A 137 86.479 80.133 51.144 1.00 57.95 H new ATOM 0 HE2 TYR A 137 88.878 78.713 48.258 1.00 54.55 H new ATOM 0 HH TYR A 137 88.872 80.868 48.871 1.00 70.15 H new ATOM 1038 N VAL A 138 88.201 73.201 51.079 1.00 47.70 N ATOM 1039 CA VAL A 138 89.514 72.576 51.153 1.00 48.86 C ATOM 1040 C VAL A 138 89.681 71.527 50.056 1.00 52.28 C ATOM 1041 O VAL A 138 88.767 70.744 49.789 1.00 49.99 O ATOM 1042 CB VAL A 138 89.753 71.916 52.545 1.00 52.16 C ATOM 1043 CG1 VAL A 138 88.516 71.206 53.017 1.00 54.06 C ATOM 1044 CG2 VAL A 138 90.925 70.941 52.499 1.00 48.90 C ATOM 0 H VAL A 138 87.583 72.679 50.788 1.00 47.70 H new ATOM 0 HA VAL A 138 90.172 73.277 51.026 1.00 48.86 H new ATOM 0 HB VAL A 138 89.967 72.625 53.172 1.00 52.16 H new ATOM 0 HG11 VAL A 138 88.685 70.803 53.883 1.00 54.06 H new ATOM 0 HG12 VAL A 138 87.787 71.841 53.093 1.00 54.06 H new ATOM 0 HG13 VAL A 138 88.277 70.515 52.380 1.00 54.06 H new ATOM 0 HG21 VAL A 138 91.052 70.545 53.376 1.00 48.90 H new ATOM 0 HG22 VAL A 138 90.739 70.242 51.853 1.00 48.90 H new ATOM 0 HG23 VAL A 138 91.730 71.415 52.239 1.00 48.90 H new ATOM 1045 N GLN A 139 90.846 71.540 49.408 1.00 52.73 N ATOM 1046 CA GLN A 139 91.186 70.545 48.403 1.00 49.88 C ATOM 1047 C GLN A 139 91.677 69.279 49.105 1.00 54.98 C ATOM 1048 O GLN A 139 92.374 69.346 50.115 1.00 54.82 O ATOM 1049 CB GLN A 139 92.240 71.099 47.433 1.00 49.23 C ATOM 1050 CG GLN A 139 92.385 70.336 46.114 1.00 49.41 C ATOM 1051 CD GLN A 139 93.185 69.055 46.276 1.00 58.40 C ATOM 1052 OE1 GLN A 139 94.028 68.955 47.169 1.00 58.85 O ATOM 1053 NE2 GLN A 139 92.911 68.062 45.430 1.00 55.11 N ATOM 0 H GLN A 139 91.459 72.128 49.542 1.00 52.73 H new ATOM 0 HA GLN A 139 90.401 70.325 47.877 1.00 49.88 H new ATOM 0 HB2 GLN A 139 92.019 72.022 47.232 1.00 49.23 H new ATOM 0 HB3 GLN A 139 93.100 71.104 47.882 1.00 49.23 H new ATOM 0 HG2 GLN A 139 91.505 70.124 45.767 1.00 49.41 H new ATOM 0 HG3 GLN A 139 92.818 70.905 45.459 1.00 49.41 H new ATOM 0 HE21 GLN A 139 92.315 68.170 44.819 1.00 55.11 H new ATOM 0 HE22 GLN A 139 93.330 67.314 45.495 1.00 55.11 H new ATOM 1054 N HIS A 140 91.270 68.126 48.588 1.00 52.31 N ATOM 1055 CA HIS A 140 91.755 66.843 49.069 1.00 52.19 C ATOM 1056 C HIS A 140 91.738 65.909 47.863 1.00 56.46 C ATOM 1057 O HIS A 140 90.809 65.965 47.050 1.00 50.99 O ATOM 1058 CB HIS A 140 90.887 66.313 50.221 1.00 48.22 C ATOM 1059 CG HIS A 140 91.465 65.124 50.937 1.00 55.32 C ATOM 1060 ND1 HIS A 140 92.177 65.237 52.111 1.00 62.70 N ATOM 1061 CD2 HIS A 140 91.413 63.798 50.659 1.00 55.76 C ATOM 1062 CE1 HIS A 140 92.546 64.035 52.522 1.00 57.95 C ATOM 1063 NE2 HIS A 140 92.098 63.145 51.657 1.00 56.34 N ATOM 0 H HIS A 140 90.702 68.067 47.945 1.00 52.31 H new ATOM 0 HA HIS A 140 92.650 66.916 49.435 1.00 52.19 H new ATOM 0 HB2 HIS A 140 90.749 67.027 50.862 1.00 48.22 H new ATOM 0 HB3 HIS A 140 90.015 66.073 49.871 1.00 48.22 H new ATOM 0 HD2 HIS A 140 90.992 63.403 49.929 1.00 55.76 H new ATOM 0 HE1 HIS A 140 93.037 63.849 53.289 1.00 57.95 H new ATOM 0 HE2 HIS A 140 92.215 62.295 51.709 1.00 56.34 H new ATOM 1064 N ASP A 141 92.764 65.070 47.730 1.00 54.95 N ATOM 1065 CA ASP A 141 92.849 64.166 46.586 1.00 55.55 C ATOM 1066 C ASP A 141 92.089 62.880 46.821 1.00 54.03 C ATOM 1067 O ASP A 141 91.898 62.439 47.959 1.00 52.28 O ATOM 1068 CB ASP A 141 94.305 63.798 46.247 1.00 60.31 C ATOM 1069 CG ASP A 141 95.204 65.008 46.077 1.00 65.49 C ATOM 1070 OD1 ASP A 141 95.042 65.742 45.080 1.00 64.72 O ATOM 1071 OD2 ASP A 141 96.094 65.208 46.935 1.00 76.50 O ATOM 0 H ASP A 141 93.416 65.009 48.287 1.00 54.95 H new ATOM 0 HA ASP A 141 92.452 64.651 45.845 1.00 55.55 H new ATOM 0 HB2 ASP A 141 94.662 63.234 46.951 1.00 60.31 H new ATOM 0 HB3 ASP A 141 94.318 63.275 45.430 1.00 60.31 H new ATOM 1072 N VAL A 142 91.673 62.275 45.720 1.00 51.88 N ATOM 1073 CA VAL A 142 91.171 60.920 45.742 1.00 55.30 C ATOM 1074 C VAL A 142 92.338 60.025 46.109 1.00 53.98 C ATOM 1075 O VAL A 142 93.344 60.021 45.424 1.00 60.88 O ATOM 1076 CB VAL A 142 90.585 60.493 44.368 1.00 52.72 C ATOM 1077 CG1 VAL A 142 89.996 59.099 44.453 1.00 53.80 C ATOM 1078 CG2 VAL A 142 89.552 61.487 43.899 1.00 51.01 C ATOM 0 H VAL A 142 91.675 62.640 44.942 1.00 51.88 H new ATOM 0 HA VAL A 142 90.448 60.849 46.385 1.00 55.30 H new ATOM 0 HB VAL A 142 91.304 60.478 43.718 1.00 52.72 H new ATOM 0 HG11 VAL A 142 89.635 58.847 43.589 1.00 53.80 H new ATOM 0 HG12 VAL A 142 90.688 58.470 44.709 1.00 53.80 H new ATOM 0 HG13 VAL A 142 89.287 59.087 45.115 1.00 53.80 H new ATOM 0 HG21 VAL A 142 89.197 61.205 43.041 1.00 51.01 H new ATOM 0 HG22 VAL A 142 88.831 61.535 44.546 1.00 51.01 H new ATOM 0 HG23 VAL A 142 89.962 62.361 43.807 1.00 51.01 H new ATOM 1079 N PRO A 143 92.214 59.269 47.196 1.00 52.76 N ATOM 1080 CA PRO A 143 93.276 58.336 47.580 1.00 58.65 C ATOM 1081 C PRO A 143 93.501 57.239 46.531 1.00 64.15 C ATOM 1082 O PRO A 143 92.617 56.971 45.703 1.00 58.25 O ATOM 1083 CB PRO A 143 92.749 57.737 48.887 1.00 50.97 C ATOM 1084 CG PRO A 143 91.288 57.780 48.720 1.00 49.80 C ATOM 1085 CD PRO A 143 91.005 59.079 48.007 1.00 51.97 C ATOM 0 HA PRO A 143 94.137 58.774 47.666 1.00 58.65 H new ATOM 0 HB2 PRO A 143 93.067 56.830 49.018 1.00 50.97 H new ATOM 0 HB3 PRO A 143 93.036 58.252 49.657 1.00 50.97 H new ATOM 0 HG2 PRO A 143 90.973 57.022 48.204 1.00 49.80 H new ATOM 0 HG3 PRO A 143 90.837 57.746 49.578 1.00 49.80 H new ATOM 0 HD2 PRO A 143 90.207 59.023 47.458 1.00 51.97 H new ATOM 0 HD3 PRO A 143 90.870 59.810 48.630 1.00 51.97 H new ATOM 1086 N ARG A 144 94.678 56.620 46.556 1.00 65.78 N ATOM 1087 CA ARG A 144 94.934 55.468 45.700 1.00 65.02 C ATOM 1088 C ARG A 144 94.400 54.227 46.399 1.00 59.07 C ATOM 1089 O ARG A 144 94.869 53.847 47.470 1.00 63.01 O ATOM 1090 CB ARG A 144 96.430 55.308 45.388 1.00 74.58 C ATOM 1091 CG ARG A 144 97.257 56.585 45.523 1.00 85.81 C ATOM 1092 CD ARG A 144 98.418 56.626 44.530 1.00 96.81 C ATOM 1093 NE ARG A 144 99.467 57.558 44.953 1.00105.52 N ATOM 1094 CZ ARG A 144 100.453 57.253 45.799 1.00104.36 C ATOM 1095 NH1 ARG A 144 100.540 56.031 46.318 1.00 96.96 N ATOM 1096 NH2 ARG A 144 101.360 58.172 46.122 1.00102.54 N ATOM 0 H ARG A 144 95.337 56.850 47.058 1.00 65.78 H new ATOM 0 HA ARG A 144 94.484 55.599 44.851 1.00 65.02 H new ATOM 0 HB2 ARG A 144 96.800 54.635 45.980 1.00 74.58 H new ATOM 0 HB3 ARG A 144 96.524 54.972 44.483 1.00 74.58 H new ATOM 0 HG2 ARG A 144 96.685 57.356 45.382 1.00 85.81 H new ATOM 0 HG3 ARG A 144 97.603 56.650 46.427 1.00 85.81 H new ATOM 0 HD2 ARG A 144 98.794 55.737 44.436 1.00 96.81 H new ATOM 0 HD3 ARG A 144 98.087 56.887 43.657 1.00 96.81 H new ATOM 0 HE ARG A 144 99.446 58.356 44.634 1.00105.52 H new ATOM 0 HH11 ARG A 144 99.959 55.433 46.109 1.00 96.96 H new ATOM 0 HH12 ARG A 144 101.177 55.840 46.863 1.00 96.96 H new ATOM 0 HH21 ARG A 144 101.310 58.962 45.786 1.00102.54 H new ATOM 0 HH22 ARG A 144 101.996 57.976 46.667 1.00102.54 H new ATOM 1097 N VAL A 145 93.380 53.615 45.823 1.00 61.84 N ATOM 1098 CA VAL A 145 92.882 52.367 46.372 1.00 64.00 C ATOM 1099 C VAL A 145 92.554 51.440 45.221 1.00 61.90 C ATOM 1100 O VAL A 145 92.106 51.879 44.159 1.00 58.24 O ATOM 1101 CB VAL A 145 91.623 52.552 47.296 1.00 64.61 C ATOM 1102 CG1 VAL A 145 91.375 54.024 47.635 1.00 59.13 C ATOM 1103 CG2 VAL A 145 90.368 51.901 46.691 1.00 62.70 C ATOM 0 H VAL A 145 92.967 53.899 45.124 1.00 61.84 H new ATOM 0 HA VAL A 145 93.575 51.992 46.938 1.00 64.00 H new ATOM 0 HB VAL A 145 91.817 52.092 48.127 1.00 64.61 H new ATOM 0 HG11 VAL A 145 90.593 54.098 48.204 1.00 59.13 H new ATOM 0 HG12 VAL A 145 92.147 54.384 48.099 1.00 59.13 H new ATOM 0 HG13 VAL A 145 91.227 54.524 46.817 1.00 59.13 H new ATOM 0 HG21 VAL A 145 89.614 52.035 47.287 1.00 62.70 H new ATOM 0 HG22 VAL A 145 90.176 52.306 45.831 1.00 62.70 H new ATOM 0 HG23 VAL A 145 90.521 50.950 46.573 1.00 62.70 H new ATOM 1104 N LYS A 146 92.830 50.161 45.439 1.00 60.71 N ATOM 1105 CA LYS A 146 92.458 49.122 44.503 1.00 60.04 C ATOM 1106 C LYS A 146 91.521 48.167 45.211 1.00 63.44 C ATOM 1107 O LYS A 146 91.836 47.664 46.292 1.00 62.54 O ATOM 1108 CB LYS A 146 93.686 48.380 43.983 1.00 61.99 C ATOM 1109 CG LYS A 146 94.793 49.290 43.488 1.00 71.45 C ATOM 1110 CD LYS A 146 96.127 48.558 43.441 1.00 81.39 C ATOM 1111 CE LYS A 146 96.800 48.721 42.087 1.00 82.92 C ATOM 1112 NZ LYS A 146 97.807 47.645 41.865 1.00 84.49 N ATOM 0 H LYS A 146 93.240 49.874 46.138 1.00 60.71 H new ATOM 0 HA LYS A 146 92.018 49.518 43.735 1.00 60.04 H new ATOM 0 HB2 LYS A 146 94.036 47.816 44.691 1.00 61.99 H new ATOM 0 HB3 LYS A 146 93.415 47.793 43.260 1.00 61.99 H new ATOM 0 HG2 LYS A 146 94.572 49.621 42.604 1.00 71.45 H new ATOM 0 HG3 LYS A 146 94.865 50.062 44.070 1.00 71.45 H new ATOM 0 HD2 LYS A 146 96.710 48.899 44.137 1.00 81.39 H new ATOM 0 HD3 LYS A 146 95.988 47.616 43.624 1.00 81.39 H new ATOM 0 HE2 LYS A 146 96.132 48.695 41.384 1.00 82.92 H new ATOM 0 HE3 LYS A 146 97.231 49.589 42.037 1.00 82.92 H new ATOM 0 HZ1 LYS A 146 98.190 47.756 41.069 1.00 84.49 H new ATOM 0 HZ2 LYS A 146 98.428 47.684 42.501 1.00 84.49 H new ATOM 0 HZ3 LYS A 146 97.405 46.852 41.892 1.00 84.49 H new ATOM 1113 N LEU A 147 90.359 47.931 44.616 1.00 58.97 N ATOM 1114 CA LEU A 147 89.397 47.022 45.212 1.00 59.68 C ATOM 1115 C LEU A 147 89.302 45.747 44.407 1.00 62.47 C ATOM 1116 O LEU A 147 89.670 45.722 43.229 1.00 63.17 O ATOM 1117 CB LEU A 147 88.025 47.690 45.328 1.00 56.70 C ATOM 1118 CG LEU A 147 88.046 48.946 46.200 1.00 54.81 C ATOM 1119 CD1 LEU A 147 86.660 49.528 46.288 1.00 50.69 C ATOM 1120 CD2 LEU A 147 88.576 48.605 47.585 1.00 56.21 C ATOM 0 H LEU A 147 90.111 48.285 43.872 1.00 58.97 H new ATOM 0 HA LEU A 147 89.702 46.797 46.105 1.00 59.68 H new ATOM 0 HB2 LEU A 147 87.708 47.923 44.441 1.00 56.70 H new ATOM 0 HB3 LEU A 147 87.392 47.055 45.698 1.00 56.70 H new ATOM 0 HG LEU A 147 88.633 49.607 45.801 1.00 54.81 H new ATOM 0 HD11 LEU A 147 86.678 50.324 46.842 1.00 50.69 H new ATOM 0 HD12 LEU A 147 86.349 49.760 45.399 1.00 50.69 H new ATOM 0 HD13 LEU A 147 86.059 48.875 46.680 1.00 50.69 H new ATOM 0 HD21 LEU A 147 88.587 49.405 48.133 1.00 56.21 H new ATOM 0 HD22 LEU A 147 88.003 47.939 47.996 1.00 56.21 H new ATOM 0 HD23 LEU A 147 89.477 48.253 47.509 1.00 56.21 H new ATOM 1121 N GLY A 148 88.803 44.691 45.046 1.00 65.83 N ATOM 1122 CA GLY A 148 88.708 43.387 44.417 1.00 72.44 C ATOM 1123 C GLY A 148 89.714 42.428 45.012 1.00 81.58 C ATOM 1124 O GLY A 148 90.928 42.621 44.847 1.00 76.41 O ATOM 0 H GLY A 148 88.512 44.715 45.855 1.00 65.83 H new ATOM 0 HA2 GLY A 148 87.812 43.033 44.530 1.00 72.44 H new ATOM 0 HA3 GLY A 148 88.861 43.472 43.463 1.00 72.44 H new TER 1125 GLY A 148 ATOM 1126 N LEU B 5 35.974 79.398 50.726 1.00 60.52 N ATOM 1127 CA LEU B 5 37.402 79.427 50.367 1.00 65.49 C ATOM 1128 C LEU B 5 38.002 78.044 50.011 1.00 59.11 C ATOM 1129 O LEU B 5 38.429 77.282 50.903 1.00 57.94 O ATOM 1130 CB LEU B 5 38.215 80.047 51.513 1.00 59.97 C ATOM 1131 CG LEU B 5 39.737 80.070 51.289 1.00 64.32 C ATOM 1132 CD1 LEU B 5 40.146 81.069 50.175 1.00 54.60 C ATOM 1133 CD2 LEU B 5 40.501 80.319 52.597 1.00 49.23 C ATOM 0 HA LEU B 5 37.458 79.966 49.562 1.00 65.49 H new ATOM 0 HB2 LEU B 5 37.908 80.956 51.655 1.00 59.97 H new ATOM 0 HB3 LEU B 5 38.029 79.555 52.328 1.00 59.97 H new ATOM 0 HG LEU B 5 39.991 79.187 50.977 1.00 64.32 H new ATOM 0 HD11 LEU B 5 41.110 81.054 50.065 1.00 54.60 H new ATOM 0 HD12 LEU B 5 39.721 80.815 49.341 1.00 54.60 H new ATOM 0 HD13 LEU B 5 39.863 81.963 50.422 1.00 54.60 H new ATOM 0 HD21 LEU B 5 41.454 80.327 52.419 1.00 49.23 H new ATOM 0 HD22 LEU B 5 40.235 81.174 52.970 1.00 49.23 H new ATOM 0 HD23 LEU B 5 40.297 79.613 53.230 1.00 49.23 H new ATOM 1134 N SER B 6 38.066 77.732 48.715 1.00 53.77 N ATOM 1135 CA SER B 6 38.544 76.415 48.277 1.00 57.35 C ATOM 1136 C SER B 6 40.028 76.166 48.601 1.00 56.29 C ATOM 1137 O SER B 6 40.827 77.103 48.716 1.00 58.47 O ATOM 1138 CB SER B 6 38.318 76.229 46.777 1.00 52.12 C ATOM 1139 OG SER B 6 39.274 76.958 46.026 1.00 59.56 O ATOM 0 H SER B 6 37.840 78.263 48.077 1.00 53.77 H new ATOM 0 HA SER B 6 38.025 75.766 48.777 1.00 57.35 H new ATOM 0 HB2 SER B 6 38.375 75.287 46.552 1.00 52.12 H new ATOM 0 HB3 SER B 6 37.424 76.523 46.542 1.00 52.12 H new ATOM 0 HG SER B 6 38.948 77.699 45.802 1.00 59.56 H new ATOM 1140 N TRP B 7 40.380 74.894 48.758 1.00 52.75 N ATOM 1141 CA TRP B 7 41.764 74.496 49.002 1.00 53.99 C ATOM 1142 C TRP B 7 42.731 75.039 47.934 1.00 47.45 C ATOM 1143 O TRP B 7 43.758 75.623 48.266 1.00 46.14 O ATOM 1144 CB TRP B 7 41.881 72.972 49.060 1.00 46.97 C ATOM 1145 CG TRP B 7 41.505 72.323 50.374 1.00 53.52 C ATOM 1146 CD1 TRP B 7 40.576 71.337 50.558 1.00 48.30 C ATOM 1147 CD2 TRP B 7 42.072 72.587 51.675 1.00 48.22 C ATOM 1148 NE1 TRP B 7 40.525 70.978 51.886 1.00 53.96 N ATOM 1149 CE2 TRP B 7 41.432 71.724 52.591 1.00 48.23 C ATOM 1150 CE3 TRP B 7 43.048 73.471 52.151 1.00 46.07 C ATOM 1151 CZ2 TRP B 7 41.734 71.718 53.954 1.00 47.68 C ATOM 1152 CZ3 TRP B 7 43.355 73.459 53.510 1.00 46.30 C ATOM 1153 CH2 TRP B 7 42.694 72.593 54.393 1.00 46.83 C ATOM 0 H TRP B 7 39.825 74.238 48.726 1.00 52.75 H new ATOM 0 HA TRP B 7 42.016 74.881 49.856 1.00 53.99 H new ATOM 0 HB2 TRP B 7 41.321 72.596 48.363 1.00 46.97 H new ATOM 0 HB3 TRP B 7 42.796 72.728 48.850 1.00 46.97 H new ATOM 0 HD1 TRP B 7 40.055 70.963 49.884 1.00 48.30 H new ATOM 0 HE1 TRP B 7 40.006 70.380 52.220 1.00 53.96 H new ATOM 0 HE3 TRP B 7 43.483 74.054 51.572 1.00 46.07 H new ATOM 0 HZ2 TRP B 7 41.300 71.142 54.542 1.00 47.68 H new ATOM 0 HZ3 TRP B 7 44.009 74.034 53.837 1.00 46.30 H new ATOM 0 HH2 TRP B 7 42.912 72.613 55.297 1.00 46.83 H new ATOM 1154 N GLN B 8 42.404 74.832 46.662 1.00 50.33 N ATOM 1155 CA GLN B 8 43.193 75.394 45.565 1.00 51.14 C ATOM 1156 C GLN B 8 43.441 76.883 45.765 1.00 53.06 C ATOM 1157 O GLN B 8 44.568 77.350 45.645 1.00 53.54 O ATOM 1158 CB GLN B 8 42.492 75.187 44.229 1.00 54.99 C ATOM 1159 CG GLN B 8 42.908 73.955 43.429 1.00 58.36 C ATOM 1160 CD GLN B 8 42.503 74.088 41.956 1.00 67.90 C ATOM 1161 OE1 GLN B 8 41.548 74.800 41.636 1.00 72.82 O ATOM 1162 NE2 GLN B 8 43.232 73.415 41.059 1.00 64.44 N ATOM 0 H GLN B 8 41.726 74.367 46.410 1.00 50.33 H new ATOM 0 HA GLN B 8 44.044 74.928 45.561 1.00 51.14 H new ATOM 0 HB2 GLN B 8 41.537 75.136 44.391 1.00 54.99 H new ATOM 0 HB3 GLN B 8 42.645 75.972 43.680 1.00 54.99 H new ATOM 0 HG2 GLN B 8 43.868 73.833 43.493 1.00 58.36 H new ATOM 0 HG3 GLN B 8 42.496 73.164 43.810 1.00 58.36 H new ATOM 0 HE21 GLN B 8 43.891 72.928 41.319 1.00 64.44 H new ATOM 0 HE22 GLN B 8 43.041 73.469 40.222 1.00 64.44 H new ATOM 1163 N ASP B 9 42.377 77.615 46.092 1.00 54.06 N ATOM 1164 CA ASP B 9 42.443 79.064 46.260 1.00 53.55 C ATOM 1165 C ASP B 9 43.262 79.457 47.470 1.00 50.50 C ATOM 1166 O ASP B 9 43.986 80.446 47.442 1.00 51.60 O ATOM 1167 CB ASP B 9 41.039 79.665 46.392 1.00 57.70 C ATOM 1168 CG ASP B 9 40.376 79.899 45.051 1.00 61.07 C ATOM 1169 OD1 ASP B 9 41.098 80.145 44.060 1.00 62.93 O ATOM 1170 OD2 ASP B 9 39.129 79.842 44.987 1.00 71.02 O ATOM 0 H ASP B 9 41.595 77.283 46.223 1.00 54.06 H new ATOM 0 HA ASP B 9 42.876 79.415 45.466 1.00 53.55 H new ATOM 0 HB2 ASP B 9 40.486 79.071 46.923 1.00 57.70 H new ATOM 0 HB3 ASP B 9 41.095 80.506 46.872 1.00 57.70 H new ATOM 1171 N TYR B 10 43.118 78.698 48.544 1.00 46.01 N ATOM 1172 CA TYR B 10 43.885 78.951 49.748 1.00 44.77 C ATOM 1173 C TYR B 10 45.389 78.828 49.458 1.00 47.39 C ATOM 1174 O TYR B 10 46.173 79.709 49.826 1.00 45.17 O ATOM 1175 CB TYR B 10 43.445 77.986 50.851 1.00 44.26 C ATOM 1176 CG TYR B 10 44.357 77.935 52.054 1.00 45.67 C ATOM 1177 CD1 TYR B 10 44.306 78.914 53.048 1.00 47.46 C ATOM 1178 CD2 TYR B 10 45.257 76.892 52.212 1.00 46.32 C ATOM 1179 CE1 TYR B 10 45.156 78.859 54.165 1.00 44.12 C ATOM 1180 CE2 TYR B 10 46.102 76.828 53.317 1.00 47.34 C ATOM 1181 CZ TYR B 10 46.051 77.807 54.288 1.00 46.87 C ATOM 1182 OH TYR B 10 46.902 77.709 55.376 1.00 47.69 O ATOM 0 H TYR B 10 42.579 78.030 48.595 1.00 46.01 H new ATOM 0 HA TYR B 10 43.719 79.857 50.053 1.00 44.77 H new ATOM 0 HB2 TYR B 10 42.556 78.237 51.146 1.00 44.26 H new ATOM 0 HB3 TYR B 10 43.378 77.095 50.475 1.00 44.26 H new ATOM 0 HD1 TYR B 10 43.699 79.614 52.969 1.00 47.46 H new ATOM 0 HD2 TYR B 10 45.297 76.222 51.568 1.00 46.32 H new ATOM 0 HE1 TYR B 10 45.119 79.522 54.816 1.00 44.12 H new ATOM 0 HE2 TYR B 10 46.703 76.123 53.401 1.00 47.34 H new ATOM 0 HH TYR B 10 47.376 77.019 55.300 1.00 47.69 H new ATOM 1183 N PHE B 11 45.792 77.754 48.779 1.00 43.03 N ATOM 1184 CA PHE B 11 47.214 77.559 48.502 1.00 48.84 C ATOM 1185 C PHE B 11 47.752 78.630 47.565 1.00 43.46 C ATOM 1186 O PHE B 11 48.821 79.158 47.827 1.00 44.39 O ATOM 1187 CB PHE B 11 47.477 76.153 47.966 1.00 42.43 C ATOM 1188 CG PHE B 11 47.210 75.102 48.985 1.00 45.13 C ATOM 1189 CD1 PHE B 11 47.709 75.245 50.271 1.00 42.92 C ATOM 1190 CD2 PHE B 11 46.386 74.030 48.707 1.00 44.78 C ATOM 1191 CE1 PHE B 11 47.432 74.320 51.244 1.00 46.15 C ATOM 1192 CE2 PHE B 11 46.109 73.091 49.680 1.00 45.11 C ATOM 1193 CZ PHE B 11 46.627 73.236 50.952 1.00 46.64 C ATOM 0 H PHE B 11 45.272 77.140 48.476 1.00 43.03 H new ATOM 0 HA PHE B 11 47.695 77.648 49.339 1.00 48.84 H new ATOM 0 HB2 PHE B 11 46.919 75.996 47.188 1.00 42.43 H new ATOM 0 HB3 PHE B 11 48.399 76.088 47.671 1.00 42.43 H new ATOM 0 HD1 PHE B 11 48.240 75.980 50.477 1.00 42.92 H new ATOM 0 HD2 PHE B 11 46.015 73.940 47.859 1.00 44.78 H new ATOM 0 HE1 PHE B 11 47.785 74.422 52.098 1.00 46.15 H new ATOM 0 HE2 PHE B 11 45.572 72.359 49.479 1.00 45.11 H new ATOM 0 HZ PHE B 11 46.435 72.607 51.609 1.00 46.64 H new ATOM 1194 N MET B 12 47.003 79.009 46.530 1.00 47.41 N ATOM 1195 CA MET B 12 47.478 80.077 45.636 1.00 48.91 C ATOM 1196 C MET B 12 47.544 81.406 46.376 1.00 48.94 C ATOM 1197 O MET B 12 48.467 82.192 46.169 1.00 50.64 O ATOM 1198 CB MET B 12 46.594 80.214 44.395 1.00 52.42 C ATOM 1199 CG MET B 12 46.773 79.101 43.339 1.00 59.48 C ATOM 1200 SD MET B 12 48.426 78.878 42.580 1.00 65.47 S ATOM 1201 CE MET B 12 48.975 80.551 42.335 1.00 42.97 C ATOM 0 H MET B 12 46.237 78.674 46.328 1.00 47.41 H new ATOM 0 HA MET B 12 48.369 79.831 45.343 1.00 48.91 H new ATOM 0 HB2 MET B 12 45.666 80.228 44.676 1.00 52.42 H new ATOM 0 HB3 MET B 12 46.777 81.070 43.977 1.00 52.42 H new ATOM 0 HG2 MET B 12 46.521 78.260 43.751 1.00 59.48 H new ATOM 0 HG3 MET B 12 46.139 79.268 42.624 1.00 59.48 H new ATOM 0 HE1 MET B 12 49.701 80.563 41.691 1.00 42.97 H new ATOM 0 HE2 MET B 12 48.239 81.088 42.002 1.00 42.97 H new ATOM 0 HE3 MET B 12 49.285 80.917 43.178 1.00 42.97 H new ATOM 1202 N ALA B 13 46.561 81.648 47.239 1.00 43.87 N ATOM 1203 CA ALA B 13 46.560 82.821 48.095 1.00 46.54 C ATOM 1204 C ALA B 13 47.846 82.870 48.895 1.00 47.21 C ATOM 1205 O ALA B 13 48.453 83.929 49.084 1.00 49.50 O ATOM 1206 CB ALA B 13 45.364 82.802 49.031 1.00 42.28 C ATOM 0 H ALA B 13 45.878 81.135 47.342 1.00 43.87 H new ATOM 0 HA ALA B 13 46.498 83.613 47.538 1.00 46.54 H new ATOM 0 HB1 ALA B 13 45.381 83.592 49.594 1.00 42.28 H new ATOM 0 HB2 ALA B 13 44.546 82.794 48.510 1.00 42.28 H new ATOM 0 HB3 ALA B 13 45.401 82.008 49.587 1.00 42.28 H new ATOM 1207 N ASN B 14 48.257 81.707 49.374 1.00 47.39 N ATOM 1208 CA ASN B 14 49.480 81.623 50.143 1.00 47.87 C ATOM 1209 C ASN B 14 50.743 81.851 49.319 1.00 45.21 C ATOM 1210 O ASN B 14 51.659 82.521 49.780 1.00 46.30 O ATOM 1211 CB ASN B 14 49.550 80.287 50.842 1.00 50.39 C ATOM 1212 CG ASN B 14 49.415 80.441 52.317 1.00 58.27 C ATOM 1213 OD1 ASN B 14 50.371 80.838 52.999 1.00 60.69 O ATOM 1214 ND2 ASN B 14 48.209 80.195 52.827 1.00 54.47 N ATOM 0 H ASN B 14 47.844 80.961 49.265 1.00 47.39 H new ATOM 0 HA ASN B 14 49.449 82.344 50.791 1.00 47.87 H new ATOM 0 HB2 ASN B 14 48.846 79.708 50.509 1.00 50.39 H new ATOM 0 HB3 ASN B 14 50.394 79.855 50.636 1.00 50.39 H new ATOM 0 HD21 ASN B 14 48.066 80.311 53.667 1.00 54.47 H new ATOM 0 HD22 ASN B 14 47.574 79.921 52.316 1.00 54.47 H new ATOM 1215 N ALA B 15 50.776 81.307 48.106 1.00 42.82 N ATOM 1216 CA ALA B 15 51.892 81.529 47.196 1.00 45.89 C ATOM 1217 C ALA B 15 52.085 83.021 46.960 1.00 49.51 C ATOM 1218 O ALA B 15 53.204 83.547 47.039 1.00 47.01 O ATOM 1219 CB ALA B 15 51.659 80.799 45.876 1.00 38.65 C ATOM 0 H ALA B 15 50.156 80.802 47.790 1.00 42.82 H new ATOM 0 HA ALA B 15 52.699 81.173 47.599 1.00 45.89 H new ATOM 0 HB1 ALA B 15 52.410 80.956 45.282 1.00 38.65 H new ATOM 0 HB2 ALA B 15 51.574 79.847 46.043 1.00 38.65 H new ATOM 0 HB3 ALA B 15 50.846 81.129 45.463 1.00 38.65 H new ATOM 1220 N GLU B 16 50.975 83.693 46.683 1.00 47.70 N ATOM 1221 CA GLU B 16 50.968 85.125 46.411 1.00 50.67 C ATOM 1222 C GLU B 16 51.512 85.893 47.602 1.00 47.94 C ATOM 1223 O GLU B 16 52.335 86.797 47.466 1.00 50.37 O ATOM 1224 CB GLU B 16 49.543 85.584 46.082 1.00 53.37 C ATOM 1225 CG GLU B 16 49.375 87.065 45.887 1.00 60.92 C ATOM 1226 CD GLU B 16 50.092 87.566 44.655 1.00 72.20 C ATOM 1227 OE1 GLU B 16 50.322 86.757 43.722 1.00 69.44 O ATOM 1228 OE2 GLU B 16 50.426 88.772 44.622 1.00 82.83 O ATOM 0 H GLU B 16 50.197 83.328 46.647 1.00 47.70 H new ATOM 0 HA GLU B 16 51.539 85.304 45.648 1.00 50.67 H new ATOM 0 HB2 GLU B 16 49.251 85.131 45.275 1.00 53.37 H new ATOM 0 HB3 GLU B 16 48.953 85.298 46.797 1.00 53.37 H new ATOM 0 HG2 GLU B 16 48.431 87.275 45.817 1.00 60.92 H new ATOM 0 HG3 GLU B 16 49.712 87.532 46.667 1.00 60.92 H new ATOM 1229 N LEU B 17 51.032 85.509 48.773 1.00 45.91 N ATOM 1230 CA LEU B 17 51.383 86.151 50.021 1.00 43.94 C ATOM 1231 C LEU B 17 52.876 86.022 50.357 1.00 50.64 C ATOM 1232 O LEU B 17 53.518 86.997 50.767 1.00 49.44 O ATOM 1233 CB LEU B 17 50.528 85.548 51.132 1.00 47.58 C ATOM 1234 CG LEU B 17 50.396 86.210 52.498 1.00 53.33 C ATOM 1235 CD1 LEU B 17 49.679 87.549 52.397 1.00 48.22 C ATOM 1236 CD2 LEU B 17 49.632 85.246 53.405 1.00 49.32 C ATOM 0 H LEU B 17 50.482 84.854 48.864 1.00 45.91 H new ATOM 0 HA LEU B 17 51.209 87.101 49.934 1.00 43.94 H new ATOM 0 HB2 LEU B 17 49.630 85.458 50.777 1.00 47.58 H new ATOM 0 HB3 LEU B 17 50.863 84.651 51.287 1.00 47.58 H new ATOM 0 HG LEU B 17 51.275 86.394 52.865 1.00 53.33 H new ATOM 0 HD11 LEU B 17 49.609 87.946 53.279 1.00 48.22 H new ATOM 0 HD12 LEU B 17 50.180 88.141 51.815 1.00 48.22 H new ATOM 0 HD13 LEU B 17 48.790 87.414 52.033 1.00 48.22 H new ATOM 0 HD21 LEU B 17 49.532 85.641 54.285 1.00 49.32 H new ATOM 0 HD22 LEU B 17 48.756 85.072 53.027 1.00 49.32 H new ATOM 0 HD23 LEU B 17 50.123 84.413 53.479 1.00 49.32 H new ATOM 1237 N ILE B 18 53.439 84.827 50.188 1.00 46.28 N ATOM 1238 CA ILE B 18 54.844 84.634 50.547 1.00 46.56 C ATOM 1239 C ILE B 18 55.753 85.259 49.478 1.00 45.54 C ATOM 1240 O ILE B 18 56.878 85.656 49.776 1.00 46.89 O ATOM 1241 CB ILE B 18 55.184 83.136 50.761 1.00 44.09 C ATOM 1242 CG1 ILE B 18 56.500 82.984 51.536 1.00 45.19 C ATOM 1243 CG2 ILE B 18 55.230 82.381 49.436 1.00 37.60 C ATOM 1244 CD1 ILE B 18 56.492 83.601 52.895 1.00 45.40 C ATOM 0 H ILE B 18 53.039 84.133 49.876 1.00 46.28 H new ATOM 0 HA ILE B 18 55.001 85.083 51.392 1.00 46.56 H new ATOM 0 HB ILE B 18 54.475 82.742 51.293 1.00 44.09 H new ATOM 0 HG12 ILE B 18 56.704 82.040 51.623 1.00 45.19 H new ATOM 0 HG13 ILE B 18 57.216 83.382 51.017 1.00 45.19 H new ATOM 0 HG21 ILE B 18 55.444 81.450 49.601 1.00 37.60 H new ATOM 0 HG22 ILE B 18 54.366 82.441 48.999 1.00 37.60 H new ATOM 0 HG23 ILE B 18 55.909 82.772 48.864 1.00 37.60 H new ATOM 0 HD11 ILE B 18 57.354 83.463 53.318 1.00 45.40 H new ATOM 0 HD12 ILE B 18 56.318 84.552 52.818 1.00 45.40 H new ATOM 0 HD13 ILE B 18 55.798 83.189 53.434 1.00 45.40 H new ATOM 1245 N SER B 19 55.251 85.394 48.251 1.00 44.43 N ATOM 1246 CA SER B 19 55.993 86.090 47.198 1.00 48.08 C ATOM 1247 C SER B 19 56.299 87.528 47.605 1.00 47.82 C ATOM 1248 O SER B 19 57.273 88.121 47.147 1.00 49.02 O ATOM 1249 CB SER B 19 55.220 86.088 45.884 1.00 47.26 C ATOM 1250 OG SER B 19 54.163 87.031 45.916 1.00 48.07 O ATOM 0 H SER B 19 54.484 85.091 48.007 1.00 44.43 H new ATOM 0 HA SER B 19 56.827 85.612 47.071 1.00 48.08 H new ATOM 0 HB2 SER B 19 55.821 86.295 45.151 1.00 47.26 H new ATOM 0 HB3 SER B 19 54.863 85.202 45.716 1.00 47.26 H new ATOM 0 HG SER B 19 53.722 86.934 46.625 1.00 48.07 H new ATOM 1251 N LYS B 20 55.478 88.070 48.495 1.00 48.39 N ATOM 1252 CA LYS B 20 55.624 89.452 48.942 1.00 52.60 C ATOM 1253 C LYS B 20 56.864 89.655 49.799 1.00 57.88 C ATOM 1254 O LYS B 20 57.221 90.789 50.123 1.00 54.36 O ATOM 1255 CB LYS B 20 54.385 89.899 49.726 1.00 52.03 C ATOM 1256 CG LYS B 20 53.139 90.090 48.862 1.00 50.42 C ATOM 1257 CD LYS B 20 51.968 90.587 49.713 1.00 59.22 C ATOM 1258 CE LYS B 20 50.807 91.087 48.858 1.00 58.81 C ATOM 1259 NZ LYS B 20 51.054 92.474 48.389 1.00 70.13 N ATOM 0 H LYS B 20 54.821 87.649 48.857 1.00 48.39 H new ATOM 0 HA LYS B 20 55.721 89.994 48.143 1.00 52.60 H new ATOM 0 HB2 LYS B 20 54.193 89.241 50.413 1.00 52.03 H new ATOM 0 HB3 LYS B 20 54.584 90.733 50.179 1.00 52.03 H new ATOM 0 HG2 LYS B 20 53.324 90.726 48.154 1.00 50.42 H new ATOM 0 HG3 LYS B 20 52.903 89.251 48.435 1.00 50.42 H new ATOM 0 HD2 LYS B 20 51.659 89.869 50.287 1.00 59.22 H new ATOM 0 HD3 LYS B 20 52.272 91.302 50.293 1.00 59.22 H new ATOM 0 HE2 LYS B 20 50.686 90.500 48.095 1.00 58.81 H new ATOM 0 HE3 LYS B 20 49.985 91.057 49.372 1.00 58.81 H new ATOM 0 HZ1 LYS B 20 50.367 92.747 47.893 1.00 70.13 H new ATOM 0 HZ2 LYS B 20 51.145 93.013 49.091 1.00 70.13 H new ATOM 0 HZ3 LYS B 20 51.798 92.495 47.901 1.00 70.13 H new ATOM 1260 N ARG B 21 57.521 88.564 50.178 1.00 52.07 N ATOM 1261 CA ARG B 21 58.723 88.698 50.989 1.00 50.43 C ATOM 1262 C ARG B 21 59.984 88.725 50.112 1.00 48.48 C ATOM 1263 O ARG B 21 61.091 88.938 50.621 1.00 47.73 O ATOM 1264 CB ARG B 21 58.796 87.573 52.038 1.00 49.23 C ATOM 1265 CG ARG B 21 57.700 87.650 53.113 1.00 49.79 C ATOM 1266 CD ARG B 21 58.047 86.831 54.341 1.00 45.71 C ATOM 1267 NE ARG B 21 59.459 86.972 54.721 1.00 52.01 N ATOM 1268 CZ ARG B 21 59.945 87.948 55.490 1.00 53.87 C ATOM 1269 NH1 ARG B 21 59.138 88.897 55.967 1.00 55.02 N ATOM 1270 NH2 ARG B 21 61.242 87.986 55.773 1.00 49.34 N ATOM 0 H ARG B 21 57.295 87.758 49.982 1.00 52.07 H new ATOM 0 HA ARG B 21 58.678 89.545 51.459 1.00 50.43 H new ATOM 0 HB2 ARG B 21 58.733 86.717 51.586 1.00 49.23 H new ATOM 0 HB3 ARG B 21 59.664 87.602 52.471 1.00 49.23 H new ATOM 0 HG2 ARG B 21 57.566 88.576 53.370 1.00 49.79 H new ATOM 0 HG3 ARG B 21 56.861 87.334 52.741 1.00 49.79 H new ATOM 0 HD2 ARG B 21 57.485 87.108 55.082 1.00 45.71 H new ATOM 0 HD3 ARG B 21 57.851 85.896 54.170 1.00 45.71 H new ATOM 0 HE ARG B 21 60.012 86.383 54.427 1.00 52.01 H new ATOM 0 HH11 ARG B 21 58.299 88.882 55.779 1.00 55.02 H new ATOM 0 HH12 ARG B 21 59.457 89.524 56.462 1.00 55.02 H new ATOM 0 HH21 ARG B 21 61.768 87.382 55.461 1.00 49.34 H new ATOM 0 HH22 ARG B 21 61.556 88.615 56.269 1.00 49.34 H new ATOM 1271 N SER B 22 59.808 88.530 48.802 1.00 48.36 N ATOM 1272 CA SER B 22 60.930 88.518 47.860 1.00 47.74 C ATOM 1273 C SER B 22 61.833 89.718 48.027 1.00 46.32 C ATOM 1274 O SER B 22 61.360 90.851 48.072 1.00 49.99 O ATOM 1275 CB SER B 22 60.440 88.466 46.422 1.00 46.22 C ATOM 1276 OG SER B 22 60.103 87.151 46.062 1.00 44.22 O ATOM 0 H SER B 22 59.040 88.402 48.437 1.00 48.36 H new ATOM 0 HA SER B 22 61.441 87.718 48.060 1.00 47.74 H new ATOM 0 HB2 SER B 22 59.668 89.043 46.317 1.00 46.22 H new ATOM 0 HB3 SER B 22 61.129 88.803 45.828 1.00 46.22 H new ATOM 0 HG SER B 22 59.270 87.088 45.977 1.00 44.22 H new ATOM 1277 N THR B 23 63.135 89.460 48.119 1.00 47.25 N ATOM 1278 CA THR B 23 64.094 90.520 48.407 1.00 47.11 C ATOM 1279 C THR B 23 64.946 90.907 47.201 1.00 49.20 C ATOM 1280 O THR B 23 65.947 91.598 47.344 1.00 56.24 O ATOM 1281 CB THR B 23 65.028 90.128 49.556 1.00 48.64 C ATOM 1282 OG1 THR B 23 65.687 88.892 49.243 1.00 49.06 O ATOM 1283 CG2 THR B 23 64.247 89.977 50.830 1.00 44.79 C ATOM 0 H THR B 23 63.482 88.680 48.018 1.00 47.25 H new ATOM 0 HA THR B 23 63.557 91.288 48.657 1.00 47.11 H new ATOM 0 HB THR B 23 65.691 90.826 49.675 1.00 48.64 H new ATOM 0 HG1 THR B 23 66.091 88.610 49.923 1.00 49.06 H new ATOM 0 HG21 THR B 23 64.847 89.729 51.550 1.00 44.79 H new ATOM 0 HG22 THR B 23 63.814 90.818 51.046 1.00 44.79 H new ATOM 0 HG23 THR B 23 63.575 89.287 50.718 1.00 44.79 H new ATOM 1284 N CYS B 24 64.560 90.457 46.018 1.00 51.17 N ATOM 1285 CA CYS B 24 65.140 90.984 44.787 1.00 53.33 C ATOM 1286 C CYS B 24 64.017 91.511 43.890 1.00 56.41 C ATOM 1287 O CYS B 24 63.254 90.725 43.322 1.00 54.14 O ATOM 1288 CB CYS B 24 65.962 89.914 44.063 1.00 50.34 C ATOM 1289 SG CYS B 24 66.276 90.254 42.292 1.00 53.15 S ATOM 0 H CYS B 24 63.964 89.847 45.903 1.00 51.17 H new ATOM 0 HA CYS B 24 65.744 91.711 45.006 1.00 53.33 H new ATOM 0 HB2 CYS B 24 66.814 89.817 44.517 1.00 50.34 H new ATOM 0 HB3 CYS B 24 65.501 89.064 44.139 1.00 50.34 H new ATOM 1290 N ASN B 25 63.931 92.834 43.748 1.00 55.16 N ATOM 1291 CA ASN B 25 62.793 93.459 43.075 1.00 55.27 C ATOM 1292 C ASN B 25 62.636 93.101 41.597 1.00 53.45 C ATOM 1293 O ASN B 25 61.684 93.518 40.959 1.00 59.35 O ATOM 1294 CB ASN B 25 62.852 94.991 43.222 1.00 59.77 C ATOM 1295 CG ASN B 25 64.098 95.628 42.570 1.00 59.91 C ATOM 1296 OD1 ASN B 25 64.702 95.081 41.645 1.00 58.89 O ATOM 1297 ND2 ASN B 25 64.464 96.809 43.054 1.00 55.79 N ATOM 0 H ASN B 25 64.523 93.388 44.035 1.00 55.16 H new ATOM 0 HA ASN B 25 62.014 93.095 43.524 1.00 55.27 H new ATOM 0 HB2 ASN B 25 62.056 95.377 42.825 1.00 59.77 H new ATOM 0 HB3 ASN B 25 62.838 95.219 44.165 1.00 59.77 H new ATOM 0 HD21 ASN B 25 65.143 97.218 42.721 1.00 55.79 H new ATOM 0 HD22 ASN B 25 64.022 97.165 43.700 1.00 55.79 H new ATOM 1298 N ARG B 26 63.559 92.328 41.046 1.00 56.44 N ATOM 1299 CA ARG B 26 63.436 91.923 39.650 1.00 56.10 C ATOM 1300 C ARG B 26 62.522 90.705 39.480 1.00 59.24 C ATOM 1301 O ARG B 26 62.267 90.266 38.355 1.00 56.00 O ATOM 1302 CB ARG B 26 64.821 91.643 39.057 1.00 56.27 C ATOM 1303 CG ARG B 26 65.632 92.924 38.814 1.00 65.38 C ATOM 1304 CD ARG B 26 67.097 92.628 38.563 1.00 66.73 C ATOM 1305 NE ARG B 26 67.292 91.885 37.326 1.00 76.28 N ATOM 1306 CZ ARG B 26 67.694 92.439 36.191 1.00 73.98 C ATOM 1307 NH1 ARG B 26 67.950 93.742 36.150 1.00 73.04 N ATOM 1308 NH2 ARG B 26 67.843 91.689 35.108 1.00 72.63 N ATOM 0 H ARG B 26 64.255 92.029 41.453 1.00 56.44 H new ATOM 0 HA ARG B 26 63.025 92.658 39.168 1.00 56.10 H new ATOM 0 HB2 ARG B 26 65.314 91.062 39.657 1.00 56.27 H new ATOM 0 HB3 ARG B 26 64.719 91.165 38.219 1.00 56.27 H new ATOM 0 HG2 ARG B 26 65.264 93.400 38.053 1.00 65.38 H new ATOM 0 HG3 ARG B 26 65.548 93.510 39.582 1.00 65.38 H new ATOM 0 HD2 ARG B 26 67.593 93.460 38.522 1.00 66.73 H new ATOM 0 HD3 ARG B 26 67.457 92.119 39.306 1.00 66.73 H new ATOM 0 HE ARG B 26 67.138 91.039 37.332 1.00 76.28 H new ATOM 0 HH11 ARG B 26 67.855 94.221 36.858 1.00 73.04 H new ATOM 0 HH12 ARG B 26 68.211 94.106 35.416 1.00 73.04 H new ATOM 0 HH21 ARG B 26 67.679 90.846 35.143 1.00 72.63 H new ATOM 0 HH22 ARG B 26 68.104 92.046 34.370 1.00 72.63 H new ATOM 1309 N ALA B 27 62.031 90.164 40.597 1.00 59.24 N ATOM 1310 CA ALA B 27 61.131 89.004 40.563 1.00 54.77 C ATOM 1311 C ALA B 27 60.485 88.738 41.923 1.00 56.35 C ATOM 1312 O ALA B 27 61.162 88.364 42.887 1.00 54.72 O ATOM 1313 CB ALA B 27 61.874 87.760 40.090 1.00 48.81 C ATOM 0 H ALA B 27 62.207 90.454 41.387 1.00 59.24 H new ATOM 0 HA ALA B 27 60.423 89.213 39.934 1.00 54.77 H new ATOM 0 HB1 ALA B 27 61.265 87.005 40.074 1.00 48.81 H new ATOM 0 HB2 ALA B 27 62.224 87.911 39.198 1.00 48.81 H new ATOM 0 HB3 ALA B 27 62.607 87.570 40.697 1.00 48.81 H new ATOM 1314 N TYR B 28 59.173 88.936 41.997 1.00 54.22 N ATOM 1315 CA TYR B 28 58.420 88.551 43.182 1.00 53.61 C ATOM 1316 C TYR B 28 57.742 87.210 42.903 1.00 53.90 C ATOM 1317 O TYR B 28 56.768 87.129 42.146 1.00 54.24 O ATOM 1318 CB TYR B 28 57.417 89.637 43.553 1.00 50.79 C ATOM 1319 CG TYR B 28 58.082 90.955 43.908 1.00 54.64 C ATOM 1320 CD1 TYR B 28 58.453 91.868 42.920 1.00 54.81 C ATOM 1321 CD2 TYR B 28 58.348 91.280 45.226 1.00 53.38 C ATOM 1322 CE1 TYR B 28 59.060 93.076 43.248 1.00 56.13 C ATOM 1323 CE2 TYR B 28 58.951 92.481 45.563 1.00 57.35 C ATOM 1324 CZ TYR B 28 59.306 93.375 44.574 1.00 58.46 C ATOM 1325 OH TYR B 28 59.910 94.567 44.929 1.00 57.53 O ATOM 0 H TYR B 28 58.701 89.292 41.372 1.00 54.22 H new ATOM 0 HA TYR B 28 59.011 88.450 43.944 1.00 53.61 H new ATOM 0 HB2 TYR B 28 56.808 89.776 42.811 1.00 50.79 H new ATOM 0 HB3 TYR B 28 56.884 89.336 44.305 1.00 50.79 H new ATOM 0 HD1 TYR B 28 58.292 91.665 42.027 1.00 54.81 H new ATOM 0 HD2 TYR B 28 58.118 90.681 45.899 1.00 53.38 H new ATOM 0 HE1 TYR B 28 59.298 93.677 42.580 1.00 56.13 H new ATOM 0 HE2 TYR B 28 59.116 92.684 46.455 1.00 57.35 H new ATOM 0 HH TYR B 28 59.990 94.603 45.764 1.00 57.53 H new ATOM 1326 N VAL B 29 58.307 86.150 43.476 1.00 49.32 N ATOM 1327 CA VAL B 29 57.859 84.785 43.216 1.00 44.30 C ATOM 1328 C VAL B 29 57.641 84.095 44.553 1.00 49.43 C ATOM 1329 O VAL B 29 58.414 84.298 45.494 1.00 45.69 O ATOM 1330 CB VAL B 29 58.877 83.998 42.368 1.00 43.43 C ATOM 1331 CG1 VAL B 29 58.348 82.622 42.002 1.00 42.95 C ATOM 1332 CG2 VAL B 29 59.196 84.752 41.103 1.00 51.32 C ATOM 0 H VAL B 29 58.964 86.203 44.029 1.00 49.32 H new ATOM 0 HA VAL B 29 57.033 84.815 42.708 1.00 44.30 H new ATOM 0 HB VAL B 29 59.680 83.892 42.902 1.00 43.43 H new ATOM 0 HG11 VAL B 29 59.009 82.152 41.470 1.00 42.95 H new ATOM 0 HG12 VAL B 29 58.168 82.119 42.811 1.00 42.95 H new ATOM 0 HG13 VAL B 29 57.529 82.715 41.491 1.00 42.95 H new ATOM 0 HG21 VAL B 29 59.837 84.247 40.578 1.00 51.32 H new ATOM 0 HG22 VAL B 29 58.384 84.878 40.587 1.00 51.32 H new ATOM 0 HG23 VAL B 29 59.573 85.617 41.328 1.00 51.32 H new ATOM 1333 N GLY B 30 56.569 83.312 44.647 1.00 45.85 N ATOM 1334 CA GLY B 30 56.241 82.593 45.870 1.00 41.97 C ATOM 1335 C GLY B 30 55.897 81.156 45.532 1.00 42.33 C ATOM 1336 O GLY B 30 55.404 80.876 44.428 1.00 40.14 O ATOM 0 H GLY B 30 56.013 83.184 44.003 1.00 45.85 H new ATOM 0 HA2 GLY B 30 56.991 82.621 46.484 1.00 41.97 H new ATOM 0 HA3 GLY B 30 55.493 83.019 46.317 1.00 41.97 H new ATOM 1337 N ALA B 31 56.177 80.243 46.461 1.00 39.23 N ATOM 1338 CA ALA B 31 55.960 78.814 46.227 1.00 41.19 C ATOM 1339 C ALA B 31 55.556 78.123 47.510 1.00 39.77 C ATOM 1340 O ALA B 31 56.045 78.460 48.583 1.00 39.64 O ATOM 1341 CB ALA B 31 57.199 78.168 45.649 1.00 42.68 C ATOM 0 H ALA B 31 56.495 80.431 47.238 1.00 39.23 H new ATOM 0 HA ALA B 31 55.240 78.720 45.584 1.00 41.19 H new ATOM 0 HB1 ALA B 31 57.033 77.224 45.502 1.00 42.68 H new ATOM 0 HB2 ALA B 31 57.422 78.592 44.805 1.00 42.68 H new ATOM 0 HB3 ALA B 31 57.938 78.274 46.268 1.00 42.68 H new ATOM 1342 N VAL B 32 54.635 77.175 47.392 1.00 42.64 N ATOM 1343 CA VAL B 32 54.099 76.456 48.541 1.00 35.31 C ATOM 1344 C VAL B 32 54.041 74.963 48.233 1.00 38.99 C ATOM 1345 O VAL B 32 53.388 74.560 47.273 1.00 38.33 O ATOM 1346 CB VAL B 32 52.692 76.950 48.909 1.00 44.22 C ATOM 1347 CG1 VAL B 32 52.213 76.287 50.183 1.00 43.65 C ATOM 1348 CG2 VAL B 32 52.670 78.458 49.055 1.00 41.04 C ATOM 0 H VAL B 32 54.301 76.929 46.639 1.00 42.64 H new ATOM 0 HA VAL B 32 54.687 76.620 49.294 1.00 35.31 H new ATOM 0 HB VAL B 32 52.089 76.707 48.189 1.00 44.22 H new ATOM 0 HG11 VAL B 32 51.324 76.609 50.401 1.00 43.65 H new ATOM 0 HG12 VAL B 32 52.186 75.326 50.057 1.00 43.65 H new ATOM 0 HG13 VAL B 32 52.821 76.501 50.908 1.00 43.65 H new ATOM 0 HG21 VAL B 32 51.774 78.748 49.287 1.00 41.04 H new ATOM 0 HG22 VAL B 32 53.287 78.725 49.754 1.00 41.04 H new ATOM 0 HG23 VAL B 32 52.935 78.868 48.217 1.00 41.04 H new ATOM 1349 N LEU B 33 54.744 74.152 49.028 1.00 41.04 N ATOM 1350 CA LEU B 33 54.700 72.691 48.903 1.00 41.99 C ATOM 1351 C LEU B 33 53.613 72.118 49.805 1.00 41.24 C ATOM 1352 O LEU B 33 53.530 72.456 50.987 1.00 39.26 O ATOM 1353 CB LEU B 33 56.045 72.050 49.255 1.00 39.51 C ATOM 1354 CG LEU B 33 57.116 72.096 48.166 1.00 47.58 C ATOM 1355 CD1 LEU B 33 58.429 71.503 48.687 1.00 47.88 C ATOM 1356 CD2 LEU B 33 56.651 71.388 46.880 1.00 41.87 C ATOM 0 H LEU B 33 55.260 74.434 49.656 1.00 41.04 H new ATOM 0 HA LEU B 33 54.500 72.485 47.976 1.00 41.99 H new ATOM 0 HB2 LEU B 33 56.395 72.489 50.046 1.00 39.51 H new ATOM 0 HB3 LEU B 33 55.889 71.122 49.491 1.00 39.51 H new ATOM 0 HG LEU B 33 57.271 73.025 47.935 1.00 47.58 H new ATOM 0 HD11 LEU B 33 59.100 71.538 47.987 1.00 47.88 H new ATOM 0 HD12 LEU B 33 58.734 72.014 49.453 1.00 47.88 H new ATOM 0 HD13 LEU B 33 58.285 70.581 48.951 1.00 47.88 H new ATOM 0 HD21 LEU B 33 57.353 71.436 46.212 1.00 41.87 H new ATOM 0 HD22 LEU B 33 56.454 70.458 47.075 1.00 41.87 H new ATOM 0 HD23 LEU B 33 55.853 71.823 46.541 1.00 41.87 H new ATOM 1357 N VAL B 34 52.789 71.248 49.234 1.00 37.23 N ATOM 1358 CA VAL B 34 51.593 70.772 49.894 1.00 37.00 C ATOM 1359 C VAL B 34 51.488 69.257 49.813 1.00 41.98 C ATOM 1360 O VAL B 34 51.728 68.651 48.761 1.00 42.00 O ATOM 1361 CB VAL B 34 50.325 71.398 49.273 1.00 43.76 C ATOM 1362 CG1 VAL B 34 49.064 70.826 49.934 1.00 41.50 C ATOM 1363 CG2 VAL B 34 50.364 72.923 49.390 1.00 37.10 C ATOM 0 H VAL B 34 52.913 70.919 48.449 1.00 37.23 H new ATOM 0 HA VAL B 34 51.658 71.039 50.824 1.00 37.00 H new ATOM 0 HB VAL B 34 50.299 71.171 48.330 1.00 43.76 H new ATOM 0 HG11 VAL B 34 48.278 71.229 49.534 1.00 41.50 H new ATOM 0 HG12 VAL B 34 49.037 69.865 49.803 1.00 41.50 H new ATOM 0 HG13 VAL B 34 49.079 71.022 50.884 1.00 41.50 H new ATOM 0 HG21 VAL B 34 49.561 73.299 48.996 1.00 37.10 H new ATOM 0 HG22 VAL B 34 50.412 73.175 50.325 1.00 37.10 H new ATOM 0 HG23 VAL B 34 51.143 73.264 48.923 1.00 37.10 H new ATOM 1364 N LYS B 35 51.132 68.655 50.937 1.00 39.57 N ATOM 1365 CA LYS B 35 50.893 67.228 51.028 1.00 45.14 C ATOM 1366 C LYS B 35 49.587 67.039 51.780 1.00 44.62 C ATOM 1367 O LYS B 35 49.472 67.492 52.920 1.00 43.63 O ATOM 1368 CB LYS B 35 52.044 66.540 51.759 1.00 46.34 C ATOM 1369 CG LYS B 35 52.093 65.029 51.632 1.00 48.38 C ATOM 1370 CD LYS B 35 53.393 64.553 52.270 1.00 55.74 C ATOM 1371 CE LYS B 35 53.884 63.248 51.683 1.00 58.37 C ATOM 1372 NZ LYS B 35 55.380 63.167 51.813 1.00 56.20 N ATOM 0 H LYS B 35 51.021 69.073 51.680 1.00 39.57 H new ATOM 0 HA LYS B 35 50.836 66.831 50.145 1.00 45.14 H new ATOM 0 HB2 LYS B 35 52.880 66.903 51.427 1.00 46.34 H new ATOM 0 HB3 LYS B 35 51.990 66.768 52.700 1.00 46.34 H new ATOM 0 HG2 LYS B 35 51.329 64.625 52.073 1.00 48.38 H new ATOM 0 HG3 LYS B 35 52.054 64.764 50.700 1.00 48.38 H new ATOM 0 HD2 LYS B 35 54.075 65.233 52.154 1.00 55.74 H new ATOM 0 HD3 LYS B 35 53.260 64.445 53.225 1.00 55.74 H new ATOM 0 HE2 LYS B 35 53.469 62.500 52.141 1.00 58.37 H new ATOM 0 HE3 LYS B 35 53.628 63.186 50.750 1.00 58.37 H new ATOM 0 HZ1 LYS B 35 55.749 63.167 51.003 1.00 56.20 H new ATOM 0 HZ2 LYS B 35 55.677 63.868 52.274 1.00 56.20 H new ATOM 0 HZ3 LYS B 35 55.601 62.417 52.239 1.00 56.20 H new ATOM 1373 N ASN B 36 48.609 66.399 51.141 1.00 47.82 N ATOM 1374 CA ASN B 36 47.288 66.159 51.737 1.00 47.78 C ATOM 1375 C ASN B 36 46.689 67.432 52.352 1.00 48.08 C ATOM 1376 O ASN B 36 46.302 67.459 53.533 1.00 43.90 O ATOM 1377 CB ASN B 36 47.374 65.052 52.799 1.00 44.55 C ATOM 1378 CG ASN B 36 47.908 63.730 52.238 1.00 55.33 C ATOM 1379 OD1 ASN B 36 47.544 63.311 51.131 1.00 58.25 O ATOM 1380 ND2 ASN B 36 48.779 63.071 53.004 1.00 49.71 N ATOM 0 H ASN B 36 48.691 66.088 50.343 1.00 47.82 H new ATOM 0 HA ASN B 36 46.698 65.875 51.021 1.00 47.78 H new ATOM 0 HB2 ASN B 36 47.949 65.347 53.522 1.00 44.55 H new ATOM 0 HB3 ASN B 36 46.494 64.905 53.179 1.00 44.55 H new ATOM 0 HD21 ASN B 36 49.110 62.325 52.734 1.00 49.71 H new ATOM 0 HD22 ASN B 36 49.009 63.392 53.768 1.00 49.71 H new ATOM 1381 N ASN B 37 46.659 68.491 51.553 1.00 45.35 N ATOM 1382 CA ASN B 37 46.114 69.781 51.971 1.00 44.80 C ATOM 1383 C ASN B 37 46.800 70.423 53.180 1.00 43.32 C ATOM 1384 O ASN B 37 46.238 71.322 53.810 1.00 47.15 O ATOM 1385 CB ASN B 37 44.607 69.639 52.230 1.00 49.29 C ATOM 1386 CG ASN B 37 43.839 69.350 50.954 1.00 45.29 C ATOM 1387 OD1 ASN B 37 44.221 69.808 49.882 1.00 47.28 O ATOM 1388 ND2 ASN B 37 42.782 68.564 51.056 1.00 47.45 N ATOM 0 H ASN B 37 46.956 68.483 50.746 1.00 45.35 H new ATOM 0 HA ASN B 37 46.289 70.389 51.236 1.00 44.80 H new ATOM 0 HB2 ASN B 37 44.455 68.924 52.868 1.00 49.29 H new ATOM 0 HB3 ASN B 37 44.270 70.455 52.632 1.00 49.29 H new ATOM 0 HD21 ASN B 37 42.332 68.355 50.353 1.00 47.45 H new ATOM 0 HD22 ASN B 37 42.544 68.261 51.825 1.00 47.45 H new ATOM 1389 N ARG B 38 48.028 70.003 53.480 1.00 44.22 N ATOM 1390 CA ARG B 38 48.847 70.719 54.466 1.00 41.60 C ATOM 1391 C ARG B 38 50.043 71.403 53.803 1.00 41.02 C ATOM 1392 O ARG B 38 50.704 70.822 52.943 1.00 44.47 O ATOM 1393 CB ARG B 38 49.361 69.776 55.554 1.00 43.83 C ATOM 1394 CG ARG B 38 48.306 68.925 56.258 1.00 48.14 C ATOM 1395 CD ARG B 38 48.948 68.112 57.382 1.00 49.03 C ATOM 1396 NE ARG B 38 49.994 67.229 56.872 1.00 65.10 N ATOM 1397 CZ ARG B 38 51.304 67.439 57.026 1.00 64.89 C ATOM 1398 NH1 ARG B 38 51.731 68.513 57.699 1.00 45.99 N ATOM 1399 NH2 ARG B 38 52.185 66.565 56.517 1.00 53.74 N ATOM 0 H ARG B 38 48.405 69.314 53.130 1.00 44.22 H new ATOM 0 HA ARG B 38 48.274 71.391 54.868 1.00 41.60 H new ATOM 0 HB2 ARG B 38 50.018 69.182 55.158 1.00 43.83 H new ATOM 0 HB3 ARG B 38 49.823 70.305 56.223 1.00 43.83 H new ATOM 0 HG2 ARG B 38 47.609 69.495 56.619 1.00 48.14 H new ATOM 0 HG3 ARG B 38 47.883 68.329 55.620 1.00 48.14 H new ATOM 0 HD2 ARG B 38 49.324 68.713 58.044 1.00 49.03 H new ATOM 0 HD3 ARG B 38 48.268 67.585 57.831 1.00 49.03 H new ATOM 0 HE ARG B 38 49.749 66.525 56.443 1.00 65.10 H new ATOM 0 HH11 ARG B 38 51.163 69.066 58.031 1.00 45.99 H new ATOM 0 HH12 ARG B 38 52.574 68.650 57.799 1.00 45.99 H new ATOM 0 HH21 ARG B 38 51.906 65.871 56.092 1.00 53.74 H new ATOM 0 HH22 ARG B 38 53.029 66.699 56.615 1.00 53.74 H new ATOM 1400 N ILE B 39 50.318 72.636 54.207 1.00 38.17 N ATOM 1401 CA ILE B 39 51.568 73.312 53.876 1.00 39.51 C ATOM 1402 C ILE B 39 52.745 72.659 54.601 1.00 43.22 C ATOM 1403 O ILE B 39 52.775 72.617 55.829 1.00 44.30 O ATOM 1404 CB ILE B 39 51.518 74.794 54.265 1.00 42.87 C ATOM 1405 CG1 ILE B 39 50.538 75.541 53.358 1.00 40.95 C ATOM 1406 CG2 ILE B 39 52.914 75.425 54.206 1.00 43.96 C ATOM 1407 CD1 ILE B 39 50.278 76.954 53.837 1.00 47.08 C ATOM 0 H ILE B 39 49.781 73.109 54.685 1.00 38.17 H new ATOM 0 HA ILE B 39 51.688 73.235 52.917 1.00 39.51 H new ATOM 0 HB ILE B 39 51.205 74.863 55.180 1.00 42.87 H new ATOM 0 HG12 ILE B 39 50.891 75.567 52.455 1.00 40.95 H new ATOM 0 HG13 ILE B 39 49.700 75.055 53.320 1.00 40.95 H new ATOM 0 HG21 ILE B 39 52.857 76.361 54.456 1.00 43.96 H new ATOM 0 HG22 ILE B 39 53.505 74.962 54.821 1.00 43.96 H new ATOM 0 HG23 ILE B 39 53.264 75.352 53.304 1.00 43.96 H new ATOM 0 HD11 ILE B 39 49.654 77.390 53.236 1.00 47.08 H new ATOM 0 HD12 ILE B 39 49.902 76.929 54.731 1.00 47.08 H new ATOM 0 HD13 ILE B 39 51.112 77.449 53.852 1.00 47.08 H new ATOM 1408 N ILE B 40 53.709 72.134 53.861 1.00 41.78 N ATOM 1409 CA ILE B 40 54.847 71.537 54.538 1.00 41.09 C ATOM 1410 C ILE B 40 56.122 72.370 54.363 1.00 39.13 C ATOM 1411 O ILE B 40 57.053 72.233 55.146 1.00 42.75 O ATOM 1412 CB ILE B 40 55.095 70.090 54.077 1.00 45.93 C ATOM 1413 CG1 ILE B 40 55.639 70.051 52.669 1.00 46.87 C ATOM 1414 CG2 ILE B 40 53.810 69.224 54.179 1.00 42.73 C ATOM 1415 CD1 ILE B 40 56.255 68.729 52.370 1.00 48.69 C ATOM 0 H ILE B 40 53.727 72.112 53.001 1.00 41.78 H new ATOM 0 HA ILE B 40 54.622 71.522 55.482 1.00 41.09 H new ATOM 0 HB ILE B 40 55.758 69.713 54.676 1.00 45.93 H new ATOM 0 HG12 ILE B 40 54.924 70.228 52.038 1.00 46.87 H new ATOM 0 HG13 ILE B 40 56.299 70.752 52.554 1.00 46.87 H new ATOM 0 HG21 ILE B 40 54.003 68.321 53.881 1.00 42.73 H new ATOM 0 HG22 ILE B 40 53.507 69.202 55.100 1.00 42.73 H new ATOM 0 HG23 ILE B 40 53.116 69.607 53.620 1.00 42.73 H new ATOM 0 HD11 ILE B 40 56.596 68.729 51.462 1.00 48.69 H new ATOM 0 HD12 ILE B 40 56.983 68.564 52.989 1.00 48.69 H new ATOM 0 HD13 ILE B 40 55.587 68.032 52.464 1.00 48.69 H new ATOM 1416 N ALA B 41 56.138 73.267 53.379 1.00 37.27 N ATOM 1417 CA ALA B 41 57.280 74.157 53.141 1.00 38.99 C ATOM 1418 C ALA B 41 56.919 75.281 52.184 1.00 35.81 C ATOM 1419 O ALA B 41 56.097 75.114 51.290 1.00 39.69 O ATOM 1420 CB ALA B 41 58.483 73.367 52.578 1.00 35.82 C ATOM 0 H ALA B 41 55.487 73.379 52.828 1.00 37.27 H new ATOM 0 HA ALA B 41 57.524 74.546 53.996 1.00 38.99 H new ATOM 0 HB1 ALA B 41 59.226 73.972 52.428 1.00 35.82 H new ATOM 0 HB2 ALA B 41 58.747 72.683 53.213 1.00 35.82 H new ATOM 0 HB3 ALA B 41 58.232 72.949 51.739 1.00 35.82 H new ATOM 1421 N THR B 42 57.546 76.432 52.344 1.00 38.00 N ATOM 1422 CA THR B 42 57.306 77.507 51.390 1.00 41.87 C ATOM 1423 C THR B 42 58.604 78.181 51.012 1.00 42.05 C ATOM 1424 O THR B 42 59.598 78.122 51.748 1.00 41.92 O ATOM 1425 CB THR B 42 56.330 78.586 51.943 1.00 42.82 C ATOM 1426 OG1 THR B 42 57.017 79.416 52.885 1.00 43.91 O ATOM 1427 CG2 THR B 42 55.112 77.940 52.616 1.00 44.28 C ATOM 0 H THR B 42 58.099 76.613 52.977 1.00 38.00 H new ATOM 0 HA THR B 42 56.899 77.095 50.611 1.00 41.87 H new ATOM 0 HB THR B 42 56.016 79.122 51.199 1.00 42.82 H new ATOM 0 HG1 THR B 42 56.490 79.999 53.182 1.00 43.91 H new ATOM 0 HG21 THR B 42 54.522 78.633 52.951 1.00 44.28 H new ATOM 0 HG22 THR B 42 54.636 77.395 51.970 1.00 44.28 H new ATOM 0 HG23 THR B 42 55.407 77.383 53.353 1.00 44.28 H new ATOM 1428 N GLY B 43 58.588 78.844 49.866 1.00 43.28 N ATOM 1429 CA GLY B 43 59.744 79.601 49.437 1.00 43.66 C ATOM 1430 C GLY B 43 59.399 80.917 48.778 1.00 44.11 C ATOM 1431 O GLY B 43 58.306 81.087 48.232 1.00 43.92 O ATOM 0 H GLY B 43 57.919 78.867 49.326 1.00 43.28 H new ATOM 0 HA2 GLY B 43 60.312 79.772 50.205 1.00 43.66 H new ATOM 0 HA3 GLY B 43 60.261 79.063 48.816 1.00 43.66 H new ATOM 1432 N TYR B 44 60.337 81.854 48.834 1.00 40.99 N ATOM 1433 CA TYR B 44 60.235 83.058 48.030 1.00 45.03 C ATOM 1434 C TYR B 44 61.599 83.360 47.424 1.00 46.10 C ATOM 1435 O TYR B 44 62.576 82.647 47.686 1.00 42.56 O ATOM 1436 CB TYR B 44 59.703 84.240 48.849 1.00 39.50 C ATOM 1437 CG TYR B 44 60.465 84.564 50.106 1.00 42.35 C ATOM 1438 CD1 TYR B 44 61.495 85.499 50.089 1.00 43.99 C ATOM 1439 CD2 TYR B 44 60.145 83.963 51.320 1.00 42.93 C ATOM 1440 CE1 TYR B 44 62.201 85.828 51.238 1.00 40.90 C ATOM 1441 CE2 TYR B 44 60.843 84.285 52.491 1.00 41.64 C ATOM 1442 CZ TYR B 44 61.877 85.223 52.440 1.00 48.11 C ATOM 1443 OH TYR B 44 62.593 85.564 53.574 1.00 42.29 O ATOM 0 H TYR B 44 61.038 81.810 49.330 1.00 40.99 H new ATOM 0 HA TYR B 44 59.595 82.914 47.316 1.00 45.03 H new ATOM 0 HB2 TYR B 44 59.698 85.027 48.283 1.00 39.50 H new ATOM 0 HB3 TYR B 44 58.781 84.057 49.088 1.00 39.50 H new ATOM 0 HD1 TYR B 44 61.716 85.914 49.287 1.00 43.99 H new ATOM 0 HD2 TYR B 44 59.457 83.338 51.354 1.00 42.93 H new ATOM 0 HE1 TYR B 44 62.889 86.453 51.200 1.00 40.90 H new ATOM 0 HE2 TYR B 44 60.620 83.877 53.297 1.00 41.64 H new ATOM 0 HH TYR B 44 63.102 86.210 53.401 1.00 42.29 H new ATOM 1444 N ASN B 45 61.650 84.397 46.594 1.00 46.85 N ATOM 1445 CA ASN B 45 62.866 84.763 45.871 1.00 44.60 C ATOM 1446 C ASN B 45 63.766 85.646 46.731 1.00 45.88 C ATOM 1447 O ASN B 45 63.423 86.792 47.008 1.00 41.47 O ATOM 1448 CB ASN B 45 62.503 85.468 44.566 1.00 43.77 C ATOM 1449 CG ASN B 45 63.676 85.555 43.582 1.00 49.30 C ATOM 1450 OD1 ASN B 45 64.497 84.641 43.481 1.00 47.76 O ATOM 1451 ND2 ASN B 45 63.729 86.650 42.823 1.00 47.35 N ATOM 0 H ASN B 45 60.979 84.910 46.433 1.00 46.85 H new ATOM 0 HA ASN B 45 63.358 83.954 45.662 1.00 44.60 H new ATOM 0 HB2 ASN B 45 61.768 84.996 44.144 1.00 43.77 H new ATOM 0 HB3 ASN B 45 62.188 86.364 44.765 1.00 43.77 H new ATOM 0 HD21 ASN B 45 64.352 86.737 42.237 1.00 47.35 H new ATOM 0 HD22 ASN B 45 63.140 87.269 42.920 1.00 47.35 H new ATOM 1452 N GLY B 46 64.905 85.097 47.164 1.00 43.40 N ATOM 1453 CA GLY B 46 65.804 85.805 48.058 1.00 41.75 C ATOM 1454 C GLY B 46 67.182 85.170 48.099 1.00 41.80 C ATOM 1455 O GLY B 46 67.375 84.048 47.638 1.00 39.79 O ATOM 0 H GLY B 46 65.171 84.309 46.945 1.00 43.40 H new ATOM 0 HA2 GLY B 46 65.883 86.728 47.772 1.00 41.75 H new ATOM 0 HA3 GLY B 46 65.427 85.816 48.952 1.00 41.75 H new ATOM 1456 N GLY B 47 68.149 85.891 48.651 1.00 42.21 N ATOM 1457 CA GLY B 47 69.512 85.383 48.732 1.00 45.85 C ATOM 1458 C GLY B 47 69.680 84.331 49.820 1.00 45.04 C ATOM 1459 O GLY B 47 68.754 84.074 50.582 1.00 42.08 O ATOM 0 H GLY B 47 68.038 86.676 48.984 1.00 42.21 H new ATOM 0 HA2 GLY B 47 69.763 85.001 47.876 1.00 45.85 H new ATOM 0 HA3 GLY B 47 70.119 86.120 48.903 1.00 45.85 H new ATOM 1460 N VAL B 48 70.860 83.720 49.884 1.00 43.33 N ATOM 1461 CA VAL B 48 71.159 82.732 50.910 1.00 44.83 C ATOM 1462 C VAL B 48 70.878 83.325 52.296 1.00 44.51 C ATOM 1463 O VAL B 48 71.197 84.486 52.565 1.00 41.36 O ATOM 1464 CB VAL B 48 72.630 82.240 50.795 1.00 40.69 C ATOM 1465 CG1 VAL B 48 73.008 81.369 51.969 1.00 37.12 C ATOM 1466 CG2 VAL B 48 72.838 81.490 49.468 1.00 38.30 C ATOM 0 H VAL B 48 71.506 83.867 49.335 1.00 43.33 H new ATOM 0 HA VAL B 48 70.585 81.960 50.781 1.00 44.83 H new ATOM 0 HB VAL B 48 73.211 83.016 50.807 1.00 40.69 H new ATOM 0 HG11 VAL B 48 73.928 81.077 51.872 1.00 37.12 H new ATOM 0 HG12 VAL B 48 72.915 81.875 52.791 1.00 37.12 H new ATOM 0 HG13 VAL B 48 72.425 80.595 51.999 1.00 37.12 H new ATOM 0 HG21 VAL B 48 73.758 81.188 49.407 1.00 38.30 H new ATOM 0 HG22 VAL B 48 72.244 80.724 49.432 1.00 38.30 H new ATOM 0 HG23 VAL B 48 72.644 82.084 48.726 1.00 38.30 H new ATOM 1467 N ALA B 49 70.216 82.547 53.150 1.00 41.91 N ATOM 1468 CA ALA B 49 69.927 82.994 54.509 1.00 46.28 C ATOM 1469 C ALA B 49 71.196 83.533 55.176 1.00 47.38 C ATOM 1470 O ALA B 49 72.265 82.919 55.080 1.00 44.53 O ATOM 1471 CB ALA B 49 69.326 81.852 55.336 1.00 38.80 C ATOM 0 H ALA B 49 69.927 81.759 52.962 1.00 41.91 H new ATOM 0 HA ALA B 49 69.276 83.712 54.464 1.00 46.28 H new ATOM 0 HB1 ALA B 49 69.140 82.166 56.235 1.00 38.80 H new ATOM 0 HB2 ALA B 49 68.502 81.552 54.922 1.00 38.80 H new ATOM 0 HB3 ALA B 49 69.955 81.115 55.375 1.00 38.80 H new ATOM 1472 N ASP B 50 71.057 84.691 55.819 1.00 45.56 N ATOM 1473 CA ASP B 50 72.133 85.366 56.553 1.00 49.55 C ATOM 1474 C ASP B 50 73.222 85.943 55.649 1.00 49.27 C ATOM 1475 O ASP B 50 74.302 86.253 56.125 1.00 53.03 O ATOM 1476 CB ASP B 50 72.766 84.421 57.582 1.00 49.70 C ATOM 1477 CG ASP B 50 71.877 84.195 58.807 1.00 60.53 C ATOM 1478 OD1 ASP B 50 70.652 84.442 58.740 1.00 63.27 O ATOM 1479 OD2 ASP B 50 72.404 83.737 59.841 1.00 76.27 O ATOM 0 H ASP B 50 70.312 85.120 55.842 1.00 45.56 H new ATOM 0 HA ASP B 50 71.713 86.115 57.004 1.00 49.55 H new ATOM 0 HB2 ASP B 50 72.951 83.567 57.160 1.00 49.70 H new ATOM 0 HB3 ASP B 50 73.618 84.786 57.869 1.00 49.70 H new ATOM 1480 N THR B 51 72.946 86.067 54.352 1.00 48.45 N ATOM 1481 CA THR B 51 73.833 86.801 53.448 1.00 54.63 C ATOM 1482 C THR B 51 73.108 88.046 52.955 1.00 54.93 C ATOM 1483 O THR B 51 71.953 88.274 53.319 1.00 58.56 O ATOM 1484 CB THR B 51 74.309 85.948 52.226 1.00 50.53 C ATOM 1485 OG1 THR B 51 73.249 85.783 51.265 1.00 48.50 O ATOM 1486 CG2 THR B 51 74.823 84.593 52.681 1.00 47.07 C ATOM 0 H THR B 51 72.249 85.733 53.974 1.00 48.45 H new ATOM 0 HA THR B 51 74.631 87.036 53.948 1.00 54.63 H new ATOM 0 HB THR B 51 75.036 86.426 51.798 1.00 50.53 H new ATOM 0 HG1 THR B 51 72.602 85.388 51.626 1.00 48.50 H new ATOM 0 HG21 THR B 51 75.113 84.081 51.910 1.00 47.07 H new ATOM 0 HG22 THR B 51 75.571 84.717 53.286 1.00 47.07 H new ATOM 0 HG23 THR B 51 74.114 84.115 53.138 1.00 47.07 H new ATOM 1487 N ASP B 52 73.779 88.845 52.132 1.00 52.26 N ATOM 1488 CA ASP B 52 73.202 90.095 51.648 1.00 53.17 C ATOM 1489 C ASP B 52 72.003 89.852 50.739 1.00 51.18 C ATOM 1490 O ASP B 52 71.961 88.872 49.981 1.00 47.31 O ATOM 1491 CB ASP B 52 74.237 90.927 50.887 1.00 50.32 C ATOM 1492 CG ASP B 52 75.436 91.303 51.738 1.00 56.85 C ATOM 1493 OD1 ASP B 52 75.269 91.533 52.958 1.00 54.79 O ATOM 1494 OD2 ASP B 52 76.550 91.364 51.169 1.00 56.21 O ATOM 0 H ASP B 52 74.572 88.681 51.841 1.00 52.26 H new ATOM 0 HA ASP B 52 72.908 90.582 52.434 1.00 53.17 H new ATOM 0 HB2 ASP B 52 74.540 90.428 50.113 1.00 50.32 H new ATOM 0 HB3 ASP B 52 73.815 91.735 50.556 1.00 50.32 H new ATOM 1495 N ASN B 53 71.048 90.773 50.817 1.00 47.10 N ATOM 1496 CA ASN B 53 69.908 90.811 49.905 1.00 54.27 C ATOM 1497 C ASN B 53 69.952 92.001 48.948 1.00 53.27 C ATOM 1498 O ASN B 53 70.349 93.105 49.336 1.00 51.26 O ATOM 1499 CB ASN B 53 68.605 90.842 50.703 1.00 52.21 C ATOM 1500 CG ASN B 53 68.320 89.529 51.372 1.00 52.01 C ATOM 1501 OD1 ASN B 53 68.477 88.475 50.757 1.00 52.21 O ATOM 1502 ND2 ASN B 53 67.922 89.573 52.644 1.00 51.80 N ATOM 0 H ASN B 53 71.043 91.400 51.406 1.00 47.10 H new ATOM 0 HA ASN B 53 69.953 90.007 49.364 1.00 54.27 H new ATOM 0 HB2 ASN B 53 68.655 91.541 51.374 1.00 52.21 H new ATOM 0 HB3 ASN B 53 67.870 91.068 50.111 1.00 52.21 H new ATOM 0 HD21 ASN B 53 67.763 88.843 53.070 1.00 51.80 H new ATOM 0 HD22 ASN B 53 67.824 90.331 53.038 1.00 51.80 H new ATOM 1503 N CYS B 54 69.535 91.761 47.705 1.00 50.61 N ATOM 1504 CA CYS B 54 69.449 92.804 46.678 1.00 54.27 C ATOM 1505 C CYS B 54 68.827 94.111 47.143 1.00 55.77 C ATOM 1506 O CYS B 54 69.284 95.172 46.741 1.00 58.56 O ATOM 1507 CB CYS B 54 68.658 92.295 45.488 1.00 53.04 C ATOM 1508 SG CYS B 54 69.461 90.940 44.708 1.00 56.82 S ATOM 0 H CYS B 54 69.292 90.983 47.431 1.00 50.61 H new ATOM 0 HA CYS B 54 70.369 93.002 46.444 1.00 54.27 H new ATOM 0 HB2 CYS B 54 67.773 92.024 45.779 1.00 53.04 H new ATOM 0 HB3 CYS B 54 68.538 93.013 44.847 1.00 53.04 H new ATOM 1509 N ASP B 55 67.792 94.023 47.981 1.00 59.40 N ATOM 1510 CA ASP B 55 67.115 95.200 48.533 1.00 61.31 C ATOM 1511 C ASP B 55 68.088 96.141 49.231 1.00 60.77 C ATOM 1512 O ASP B 55 67.860 97.351 49.287 1.00 63.37 O ATOM 1513 CB ASP B 55 66.024 94.802 49.549 1.00 56.12 C ATOM 1514 CG ASP B 55 64.777 94.200 48.903 1.00 58.74 C ATOM 1515 OD1 ASP B 55 64.627 94.252 47.654 1.00 54.11 O ATOM 1516 OD2 ASP B 55 63.927 93.689 49.674 1.00 56.08 O ATOM 0 H ASP B 55 67.461 93.275 48.247 1.00 59.40 H new ATOM 0 HA ASP B 55 66.712 95.653 47.776 1.00 61.31 H new ATOM 0 HB2 ASP B 55 66.395 94.162 50.176 1.00 56.12 H new ATOM 0 HB3 ASP B 55 65.768 95.585 50.061 1.00 56.12 H new ATOM 1517 N ASP B 56 69.153 95.576 49.793 1.00 58.63 N ATOM 1518 CA ASP B 56 70.035 96.347 50.664 1.00 61.77 C ATOM 1519 C ASP B 56 71.352 96.739 49.999 1.00 59.24 C ATOM 1520 O ASP B 56 71.841 97.848 50.209 1.00 62.24 O ATOM 1521 CB ASP B 56 70.306 95.567 51.955 1.00 58.77 C ATOM 1522 CG ASP B 56 69.058 95.423 52.817 1.00 64.03 C ATOM 1523 OD1 ASP B 56 68.187 96.322 52.753 1.00 64.42 O ATOM 1524 OD2 ASP B 56 68.944 94.418 53.555 1.00 61.16 O ATOM 0 H ASP B 56 69.381 94.754 49.684 1.00 58.63 H new ATOM 0 HA ASP B 56 69.573 97.176 50.866 1.00 61.77 H new ATOM 0 HB2 ASP B 56 70.646 94.686 51.733 1.00 58.77 H new ATOM 0 HB3 ASP B 56 70.998 96.018 52.464 1.00 58.77 H new ATOM 1525 N VAL B 57 71.913 95.844 49.192 1.00 53.96 N ATOM 1526 CA VAL B 57 73.247 96.061 48.645 1.00 57.06 C ATOM 1527 C VAL B 57 73.263 96.091 47.118 1.00 57.87 C ATOM 1528 O VAL B 57 74.314 96.279 46.509 1.00 58.62 O ATOM 1529 CB VAL B 57 74.234 94.967 49.126 1.00 56.97 C ATOM 1530 CG1 VAL B 57 74.105 94.761 50.630 1.00 54.21 C ATOM 1531 CG2 VAL B 57 73.989 93.671 48.383 1.00 51.85 C ATOM 0 H VAL B 57 71.540 95.108 48.950 1.00 53.96 H new ATOM 0 HA VAL B 57 73.526 96.931 48.972 1.00 57.06 H new ATOM 0 HB VAL B 57 75.139 95.260 48.935 1.00 56.97 H new ATOM 0 HG11 VAL B 57 74.727 94.075 50.917 1.00 54.21 H new ATOM 0 HG12 VAL B 57 74.306 95.592 51.089 1.00 54.21 H new ATOM 0 HG13 VAL B 57 73.200 94.485 50.843 1.00 54.21 H new ATOM 0 HG21 VAL B 57 74.613 92.997 48.694 1.00 51.85 H new ATOM 0 HG22 VAL B 57 73.081 93.371 48.546 1.00 51.85 H new ATOM 0 HG23 VAL B 57 74.116 93.814 47.432 1.00 51.85 H new ATOM 1532 N GLY B 58 72.103 95.899 46.497 1.00 57.74 N ATOM 1533 CA GLY B 58 72.024 95.884 45.047 1.00 51.78 C ATOM 1534 C GLY B 58 72.101 94.488 44.452 1.00 57.36 C ATOM 1535 O GLY B 58 72.454 93.518 45.135 1.00 56.67 O ATOM 0 H GLY B 58 71.353 95.776 46.899 1.00 57.74 H new ATOM 0 HA2 GLY B 58 71.193 96.300 44.771 1.00 51.78 H new ATOM 0 HA3 GLY B 58 72.745 96.423 44.685 1.00 51.78 H new ATOM 1536 N HIS B 59 71.769 94.383 43.171 1.00 51.45 N ATOM 1537 CA HIS B 59 71.772 93.097 42.494 1.00 54.69 C ATOM 1538 C HIS B 59 73.194 92.581 42.287 1.00 58.39 C ATOM 1539 O HIS B 59 74.164 93.338 42.365 1.00 56.72 O ATOM 1540 CB HIS B 59 71.040 93.199 41.152 1.00 53.37 C ATOM 1541 CG HIS B 59 69.682 93.826 41.259 1.00 62.56 C ATOM 1542 ND1 HIS B 59 68.556 93.114 41.619 1.00 61.29 N ATOM 1543 CD2 HIS B 59 69.275 95.108 41.084 1.00 63.32 C ATOM 1544 CE1 HIS B 59 67.512 93.926 41.650 1.00 63.47 C ATOM 1545 NE2 HIS B 59 67.921 95.142 41.327 1.00 66.83 N ATOM 0 H HIS B 59 71.538 95.047 42.676 1.00 51.45 H new ATOM 0 HA HIS B 59 71.305 92.462 43.059 1.00 54.69 H new ATOM 0 HB2 HIS B 59 71.580 93.717 40.535 1.00 53.37 H new ATOM 0 HB3 HIS B 59 70.950 92.311 40.772 1.00 53.37 H new ATOM 0 HD2 HIS B 59 69.811 95.829 40.845 1.00 63.32 H new ATOM 0 HE1 HIS B 59 66.640 93.683 41.863 1.00 63.47 H new ATOM 0 HE2 HIS B 59 67.422 95.840 41.277 1.00 66.83 H new ATOM 1546 N GLU B 60 73.299 91.274 42.067 1.00 58.30 N ATOM 1547 CA GLU B 60 74.545 90.636 41.681 1.00 56.82 C ATOM 1548 C GLU B 60 74.416 90.313 40.202 1.00 60.23 C ATOM 1549 O GLU B 60 73.895 89.260 39.827 1.00 56.67 O ATOM 1550 CB GLU B 60 74.807 89.371 42.508 1.00 59.31 C ATOM 1551 CG GLU B 60 76.098 88.623 42.154 1.00 57.01 C ATOM 1552 CD GLU B 60 77.335 89.206 42.835 1.00 55.66 C ATOM 1553 OE1 GLU B 60 77.176 89.967 43.818 1.00 57.56 O ATOM 1554 OE2 GLU B 60 78.464 88.894 42.389 1.00 53.96 O ATOM 0 H GLU B 60 72.638 90.729 42.140 1.00 58.30 H new ATOM 0 HA GLU B 60 75.301 91.221 41.846 1.00 56.82 H new ATOM 0 HB2 GLU B 60 74.837 89.615 43.446 1.00 59.31 H new ATOM 0 HB3 GLU B 60 74.057 88.766 42.396 1.00 59.31 H new ATOM 0 HG2 GLU B 60 76.005 87.691 42.407 1.00 57.01 H new ATOM 0 HG3 GLU B 60 76.224 88.645 41.193 1.00 57.01 H new ATOM 1555 N MET B 61 74.862 91.237 39.358 1.00 60.12 N ATOM 1556 CA MET B 61 74.638 91.105 37.926 1.00 61.54 C ATOM 1557 C MET B 61 75.697 90.255 37.246 1.00 63.47 C ATOM 1558 O MET B 61 76.890 90.381 37.520 1.00 64.75 O ATOM 1559 CB MET B 61 74.584 92.484 37.268 1.00 65.24 C ATOM 1560 CG MET B 61 73.536 93.423 37.850 1.00 60.26 C ATOM 1561 SD MET B 61 71.845 92.814 37.654 1.00 65.90 S ATOM 1562 CE MET B 61 71.848 92.249 35.955 1.00 65.21 C ATOM 0 H MET B 61 75.294 91.943 39.593 1.00 60.12 H new ATOM 0 HA MET B 61 73.787 90.653 37.816 1.00 61.54 H new ATOM 0 HB2 MET B 61 75.456 92.902 37.348 1.00 65.24 H new ATOM 0 HB3 MET B 61 74.409 92.371 36.321 1.00 65.24 H new ATOM 0 HG2 MET B 61 73.718 93.556 38.793 1.00 60.26 H new ATOM 0 HG3 MET B 61 73.613 94.290 37.421 1.00 60.26 H new ATOM 0 HE1 MET B 61 70.943 92.026 35.686 1.00 65.21 H new ATOM 0 HE2 MET B 61 72.192 92.951 35.381 1.00 65.21 H new ATOM 0 HE3 MET B 61 72.411 91.463 35.876 1.00 65.21 H new ATOM 1563 N GLU B 62 75.241 89.386 36.355 1.00 65.89 N ATOM 1564 CA GLU B 62 76.122 88.606 35.501 1.00 71.57 C ATOM 1565 C GLU B 62 75.332 88.139 34.291 1.00 79.34 C ATOM 1566 O GLU B 62 74.313 87.457 34.446 1.00 79.78 O ATOM 1567 CB GLU B 62 76.706 87.420 36.257 1.00 69.64 C ATOM 1568 CG GLU B 62 77.141 86.268 35.372 1.00 79.33 C ATOM 1569 CD GLU B 62 77.886 85.194 36.154 1.00 83.49 C ATOM 1570 OE1 GLU B 62 78.792 85.558 36.937 1.00 82.43 O ATOM 1571 OE2 GLU B 62 77.565 83.994 35.990 1.00 84.92 O ATOM 0 H GLU B 62 74.405 89.231 36.228 1.00 65.89 H new ATOM 0 HA GLU B 62 76.867 89.157 35.213 1.00 71.57 H new ATOM 0 HB2 GLU B 62 77.469 87.723 36.773 1.00 69.64 H new ATOM 0 HB3 GLU B 62 76.046 87.096 36.890 1.00 69.64 H new ATOM 0 HG2 GLU B 62 76.362 85.876 34.948 1.00 79.33 H new ATOM 0 HG3 GLU B 62 77.711 86.604 34.663 1.00 79.33 H new ATOM 1572 N ASP B 63 75.791 88.532 33.098 1.00 84.37 N ATOM 1573 CA ASP B 63 75.119 88.191 31.841 1.00 84.42 C ATOM 1574 C ASP B 63 73.752 88.889 31.781 1.00 83.06 C ATOM 1575 O ASP B 63 72.758 88.303 31.345 1.00 85.32 O ATOM 1576 CB ASP B 63 74.984 86.660 31.710 1.00 86.84 C ATOM 1577 CG ASP B 63 74.513 86.205 30.334 1.00 98.13 C ATOM 1578 OD1 ASP B 63 74.254 87.058 29.455 1.00103.13 O ATOM 1579 OD2 ASP B 63 74.380 84.976 30.140 1.00 98.10 O ATOM 0 H ASP B 63 76.502 89.005 32.996 1.00 84.37 H new ATOM 0 HA ASP B 63 75.649 88.503 31.091 1.00 84.42 H new ATOM 0 HB2 ASP B 63 75.842 86.250 31.902 1.00 86.84 H new ATOM 0 HB3 ASP B 63 74.360 86.339 32.380 1.00 86.84 H new ATOM 1580 N GLY B 64 73.700 90.138 32.243 1.00 80.21 N ATOM 1581 CA GLY B 64 72.454 90.895 32.270 1.00 82.06 C ATOM 1582 C GLY B 64 71.379 90.370 33.219 1.00 82.07 C ATOM 1583 O GLY B 64 70.287 90.938 33.306 1.00 74.60 O ATOM 0 H GLY B 64 74.381 90.566 32.547 1.00 80.21 H new ATOM 0 HA2 GLY B 64 72.657 91.812 32.514 1.00 82.06 H new ATOM 0 HA3 GLY B 64 72.088 90.915 31.372 1.00 82.06 H new ATOM 1584 N HIS B 65 71.694 89.291 33.936 1.00 79.23 N ATOM 1585 CA HIS B 65 70.785 88.691 34.909 1.00 75.97 C ATOM 1586 C HIS B 65 71.261 88.909 36.338 1.00 69.14 C ATOM 1587 O HIS B 65 72.459 88.976 36.597 1.00 65.03 O ATOM 1588 CB HIS B 65 70.642 87.187 34.663 1.00 75.47 C ATOM 1589 CG HIS B 65 70.099 86.842 33.314 1.00 84.23 C ATOM 1590 ND1 HIS B 65 68.797 87.108 32.946 1.00 89.03 N ATOM 1591 CD2 HIS B 65 70.676 86.238 32.248 1.00 87.84 C ATOM 1592 CE1 HIS B 65 68.598 86.691 31.707 1.00 89.27 C ATOM 1593 NE2 HIS B 65 69.721 86.159 31.261 1.00 90.33 N ATOM 0 H HIS B 65 72.449 88.884 33.870 1.00 79.23 H new ATOM 0 HA HIS B 65 69.927 89.128 34.795 1.00 75.97 H new ATOM 0 HB2 HIS B 65 71.510 86.767 34.769 1.00 75.47 H new ATOM 0 HB3 HIS B 65 70.060 86.811 35.342 1.00 75.47 H new ATOM 0 HD2 HIS B 65 71.553 85.934 32.193 1.00 87.84 H new ATOM 0 HE1 HIS B 65 67.802 86.761 31.231 1.00 89.27 H new ATOM 0 HE2 HIS B 65 69.837 85.818 30.480 1.00 90.33 H new ATOM 1594 N CYS B 66 70.323 89.006 37.271 1.00 69.26 N ATOM 1595 CA CYS B 66 70.690 88.922 38.675 1.00 59.21 C ATOM 1596 C CYS B 66 70.824 87.461 39.092 1.00 57.80 C ATOM 1597 O CYS B 66 69.943 86.654 38.805 1.00 60.89 O ATOM 1598 CB CYS B 66 69.670 89.616 39.554 1.00 60.01 C ATOM 1599 SG CYS B 66 70.196 89.575 41.272 1.00 53.24 S ATOM 0 H CYS B 66 69.485 89.118 37.116 1.00 69.26 H new ATOM 0 HA CYS B 66 71.542 89.371 38.789 1.00 59.21 H new ATOM 0 HB2 CYS B 66 69.557 90.535 39.266 1.00 60.01 H new ATOM 0 HB3 CYS B 66 68.807 89.182 39.463 1.00 60.01 H new ATOM 1600 N ILE B 67 71.927 87.120 39.756 1.00 57.95 N ATOM 1601 CA ILE B 67 72.172 85.742 40.194 1.00 51.72 C ATOM 1602 C ILE B 67 72.332 85.615 41.706 1.00 48.84 C ATOM 1603 O ILE B 67 72.841 84.613 42.203 1.00 53.56 O ATOM 1604 CB ILE B 67 73.444 85.141 39.540 1.00 58.39 C ATOM 1605 CG1 ILE B 67 74.682 85.993 39.865 1.00 53.28 C ATOM 1606 CG2 ILE B 67 73.256 84.961 38.052 1.00 51.58 C ATOM 1607 CD1 ILE B 67 75.972 85.204 39.865 1.00 49.51 C ATOM 0 H ILE B 67 72.551 87.674 39.965 1.00 57.95 H new ATOM 0 HA ILE B 67 71.383 85.254 39.912 1.00 51.72 H new ATOM 0 HB ILE B 67 73.593 84.260 39.917 1.00 58.39 H new ATOM 0 HG12 ILE B 67 74.751 86.712 39.217 1.00 53.28 H new ATOM 0 HG13 ILE B 67 74.563 86.405 40.735 1.00 53.28 H new ATOM 0 HG21 ILE B 67 74.063 84.585 37.667 1.00 51.58 H new ATOM 0 HG22 ILE B 67 72.511 84.361 37.890 1.00 51.58 H new ATOM 0 HG23 ILE B 67 73.073 85.821 37.642 1.00 51.58 H new ATOM 0 HD11 ILE B 67 76.712 85.794 40.076 1.00 49.51 H new ATOM 0 HD12 ILE B 67 75.921 84.500 40.530 1.00 49.51 H new ATOM 0 HD13 ILE B 67 76.111 84.811 38.989 1.00 49.51 H new ATOM 1608 N ARG B 68 71.910 86.624 42.452 1.00 49.03 N ATOM 1609 CA ARG B 68 72.080 86.549 43.892 1.00 47.71 C ATOM 1610 C ARG B 68 71.129 85.541 44.564 1.00 51.86 C ATOM 1611 O ARG B 68 71.528 84.826 45.501 1.00 45.87 O ATOM 1612 CB ARG B 68 71.880 87.913 44.522 1.00 48.23 C ATOM 1613 CG ARG B 68 72.206 87.907 46.000 1.00 46.56 C ATOM 1614 CD ARG B 68 71.912 89.244 46.643 1.00 51.20 C ATOM 1615 NE ARG B 68 72.632 90.335 46.002 1.00 50.93 N ATOM 1616 CZ ARG B 68 73.904 90.640 46.239 1.00 58.12 C ATOM 1617 NH1 ARG B 68 74.623 89.918 47.099 1.00 51.96 N ATOM 1618 NH2 ARG B 68 74.459 91.669 45.604 1.00 58.17 N ATOM 0 H ARG B 68 71.535 87.339 42.157 1.00 49.03 H new ATOM 0 HA ARG B 68 72.987 86.238 44.038 1.00 47.71 H new ATOM 0 HB2 ARG B 68 72.441 88.563 44.070 1.00 48.23 H new ATOM 0 HB3 ARG B 68 70.961 88.195 44.395 1.00 48.23 H new ATOM 0 HG2 ARG B 68 71.691 87.215 46.442 1.00 46.56 H new ATOM 0 HG3 ARG B 68 73.142 87.687 46.124 1.00 46.56 H new ATOM 0 HD2 ARG B 68 70.959 89.419 46.600 1.00 51.20 H new ATOM 0 HD3 ARG B 68 72.152 89.209 47.582 1.00 51.20 H new ATOM 0 HE ARG B 68 72.205 90.815 45.431 1.00 50.93 H new ATOM 0 HH11 ARG B 68 74.264 89.250 47.505 1.00 51.96 H new ATOM 0 HH12 ARG B 68 75.445 90.120 47.248 1.00 51.96 H new ATOM 0 HH21 ARG B 68 73.995 92.130 45.046 1.00 58.17 H new ATOM 0 HH22 ARG B 68 75.281 91.873 45.752 1.00 58.17 H new ATOM 1619 N THR B 69 69.883 85.480 44.090 1.00 43.38 N ATOM 1620 CA THR B 69 68.857 84.725 44.805 1.00 47.73 C ATOM 1621 C THR B 69 68.801 83.246 44.487 1.00 43.95 C ATOM 1622 O THR B 69 69.204 82.796 43.403 1.00 41.88 O ATOM 1623 CB THR B 69 67.437 85.261 44.537 1.00 44.10 C ATOM 1624 OG1 THR B 69 67.063 84.973 43.181 1.00 40.66 O ATOM 1625 CG2 THR B 69 67.337 86.740 44.852 1.00 43.22 C ATOM 0 H THR B 69 69.616 85.863 43.368 1.00 43.38 H new ATOM 0 HA THR B 69 69.128 84.844 45.729 1.00 47.73 H new ATOM 0 HB THR B 69 66.812 84.812 45.128 1.00 44.10 H new ATOM 0 HG1 THR B 69 66.302 84.618 43.169 1.00 40.66 H new ATOM 0 HG21 THR B 69 66.435 87.049 44.674 1.00 43.22 H new ATOM 0 HG22 THR B 69 67.550 86.887 45.787 1.00 43.22 H new ATOM 0 HG23 THR B 69 67.962 87.232 44.297 1.00 43.22 H new ATOM 1626 N VAL B 70 68.294 82.505 45.465 1.00 43.91 N ATOM 1627 CA VAL B 70 67.746 81.172 45.230 1.00 45.46 C ATOM 1628 C VAL B 70 66.286 81.368 44.820 1.00 43.84 C ATOM 1629 O VAL B 70 65.563 82.138 45.460 1.00 43.89 O ATOM 1630 CB VAL B 70 67.847 80.282 46.484 1.00 44.06 C ATOM 1631 CG1 VAL B 70 67.110 78.957 46.280 1.00 38.63 C ATOM 1632 CG2 VAL B 70 69.306 80.048 46.850 1.00 46.86 C ATOM 0 H VAL B 70 68.257 82.760 46.285 1.00 43.91 H new ATOM 0 HA VAL B 70 68.250 80.717 44.537 1.00 45.46 H new ATOM 0 HB VAL B 70 67.418 80.744 47.221 1.00 44.06 H new ATOM 0 HG11 VAL B 70 67.188 78.416 47.081 1.00 38.63 H new ATOM 0 HG12 VAL B 70 66.173 79.132 46.099 1.00 38.63 H new ATOM 0 HG13 VAL B 70 67.500 78.481 45.530 1.00 38.63 H new ATOM 0 HG21 VAL B 70 69.356 79.487 47.640 1.00 46.86 H new ATOM 0 HG22 VAL B 70 69.758 79.609 46.113 1.00 46.86 H new ATOM 0 HG23 VAL B 70 69.735 80.899 47.031 1.00 46.86 H new ATOM 1633 N HIS B 71 65.854 80.708 43.750 1.00 42.56 N ATOM 1634 CA HIS B 71 64.459 80.816 43.330 1.00 44.72 C ATOM 1635 C HIS B 71 63.481 80.308 44.393 1.00 41.67 C ATOM 1636 O HIS B 71 63.853 79.509 45.256 1.00 43.58 O ATOM 1637 CB HIS B 71 64.258 80.077 42.012 1.00 44.27 C ATOM 1638 CG HIS B 71 64.939 80.749 40.864 1.00 50.15 C ATOM 1639 ND1 HIS B 71 64.892 80.269 39.570 1.00 50.15 N ATOM 1640 CD2 HIS B 71 65.692 81.874 40.815 1.00 51.74 C ATOM 1641 CE1 HIS B 71 65.577 81.069 38.777 1.00 45.67 C ATOM 1642 NE2 HIS B 71 66.079 82.051 39.509 1.00 55.73 N ATOM 0 H HIS B 71 66.344 80.199 43.259 1.00 42.56 H new ATOM 0 HA HIS B 71 64.264 81.758 43.206 1.00 44.72 H new ATOM 0 HB2 HIS B 71 64.596 79.172 42.098 1.00 44.27 H new ATOM 0 HB3 HIS B 71 63.309 80.009 41.825 1.00 44.27 H new ATOM 0 HD2 HIS B 71 65.907 82.425 41.533 1.00 51.74 H new ATOM 0 HE1 HIS B 71 65.688 80.962 37.860 1.00 45.67 H new ATOM 0 HE2 HIS B 71 66.568 82.695 39.215 1.00 55.73 H new ATOM 1643 N ALA B 72 62.241 80.791 44.332 1.00 46.17 N ATOM 1644 CA ALA B 72 61.212 80.430 45.311 1.00 42.95 C ATOM 1645 C ALA B 72 60.985 78.929 45.348 1.00 43.13 C ATOM 1646 O ALA B 72 60.920 78.332 46.428 1.00 43.35 O ATOM 1647 CB ALA B 72 59.910 81.141 45.009 1.00 42.98 C ATOM 0 H ALA B 72 61.972 81.336 43.724 1.00 46.17 H new ATOM 0 HA ALA B 72 61.530 80.712 46.183 1.00 42.95 H new ATOM 0 HB1 ALA B 72 59.243 80.889 45.667 1.00 42.98 H new ATOM 0 HB2 ALA B 72 60.050 82.100 45.042 1.00 42.98 H new ATOM 0 HB3 ALA B 72 59.602 80.890 44.124 1.00 42.98 H new ATOM 1648 N GLU B 73 60.877 78.316 44.173 1.00 38.71 N ATOM 1649 CA GLU B 73 60.604 76.885 44.103 1.00 40.64 C ATOM 1650 C GLU B 73 61.762 76.091 44.698 1.00 43.87 C ATOM 1651 O GLU B 73 61.553 75.143 45.467 1.00 42.19 O ATOM 1652 CB GLU B 73 60.350 76.445 42.663 1.00 37.74 C ATOM 1653 CG GLU B 73 59.415 77.350 41.881 1.00 49.03 C ATOM 1654 CD GLU B 73 60.119 78.539 41.228 1.00 52.06 C ATOM 1655 OE1 GLU B 73 60.863 79.271 41.919 1.00 51.68 O ATOM 1656 OE2 GLU B 73 59.915 78.741 40.015 1.00 57.09 O ATOM 0 H GLU B 73 60.958 78.707 43.411 1.00 38.71 H new ATOM 0 HA GLU B 73 59.803 76.708 44.621 1.00 40.64 H new ATOM 0 HB2 GLU B 73 61.200 76.397 42.197 1.00 37.74 H new ATOM 0 HB3 GLU B 73 59.981 75.548 42.672 1.00 37.74 H new ATOM 0 HG2 GLU B 73 58.972 76.828 41.193 1.00 49.03 H new ATOM 0 HG3 GLU B 73 58.724 77.680 42.476 1.00 49.03 H new ATOM 1657 N MET B 74 62.986 76.474 44.339 1.00 41.16 N ATOM 1658 CA MET B 74 64.177 75.798 44.863 1.00 41.35 C ATOM 1659 C MET B 74 64.292 76.036 46.369 1.00 40.34 C ATOM 1660 O MET B 74 64.658 75.131 47.118 1.00 42.26 O ATOM 1661 CB MET B 74 65.434 76.274 44.121 1.00 41.04 C ATOM 1662 CG MET B 74 66.741 75.650 44.583 1.00 43.65 C ATOM 1663 SD MET B 74 66.895 73.893 44.218 1.00 48.68 S ATOM 1664 CE MET B 74 66.611 73.909 42.451 1.00 42.35 C ATOM 0 H MET B 74 63.150 77.120 43.796 1.00 41.16 H new ATOM 0 HA MET B 74 64.093 74.843 44.714 1.00 41.35 H new ATOM 0 HB2 MET B 74 65.322 76.090 43.175 1.00 41.04 H new ATOM 0 HB3 MET B 74 65.502 77.237 44.216 1.00 41.04 H new ATOM 0 HG2 MET B 74 67.478 76.122 44.165 1.00 43.65 H new ATOM 0 HG3 MET B 74 66.828 75.779 45.540 1.00 43.65 H new ATOM 0 HE1 MET B 74 67.061 73.152 42.044 1.00 42.35 H new ATOM 0 HE2 MET B 74 65.659 73.851 42.276 1.00 42.35 H new ATOM 0 HE3 MET B 74 66.959 74.732 42.075 1.00 42.35 H new ATOM 1665 N ASN B 75 63.928 77.230 46.828 1.00 36.65 N ATOM 1666 CA ASN B 75 63.958 77.503 48.259 1.00 38.24 C ATOM 1667 C ASN B 75 63.006 76.597 49.046 1.00 40.95 C ATOM 1668 O ASN B 75 63.321 76.172 50.158 1.00 41.30 O ATOM 1669 CB ASN B 75 63.628 78.969 48.534 1.00 38.74 C ATOM 1670 CG ASN B 75 64.866 79.795 48.838 1.00 45.64 C ATOM 1671 OD1 ASN B 75 65.808 79.305 49.466 1.00 42.35 O ATOM 1672 ND2 ASN B 75 64.883 81.048 48.374 1.00 40.82 N ATOM 0 H ASN B 75 63.665 77.885 46.336 1.00 36.65 H new ATOM 0 HA ASN B 75 64.860 77.313 48.562 1.00 38.24 H new ATOM 0 HB2 ASN B 75 63.172 79.345 47.765 1.00 38.74 H new ATOM 0 HB3 ASN B 75 63.014 79.025 49.283 1.00 38.74 H new ATOM 0 HD21 ASN B 75 65.570 81.547 48.509 1.00 40.82 H new ATOM 0 HD22 ASN B 75 64.207 81.355 47.940 1.00 40.82 H new ATOM 1673 N ALA B 76 61.846 76.295 48.466 1.00 38.88 N ATOM 1674 CA ALA B 76 60.900 75.407 49.120 1.00 39.45 C ATOM 1675 C ALA B 76 61.505 74.005 49.249 1.00 39.81 C ATOM 1676 O ALA B 76 61.388 73.371 50.301 1.00 42.36 O ATOM 1677 CB ALA B 76 59.594 75.368 48.365 1.00 36.39 C ATOM 0 H ALA B 76 61.593 76.593 47.700 1.00 38.88 H new ATOM 0 HA ALA B 76 60.715 75.746 50.010 1.00 39.45 H new ATOM 0 HB1 ALA B 76 58.977 74.771 48.816 1.00 36.39 H new ATOM 0 HB2 ALA B 76 59.214 76.260 48.330 1.00 36.39 H new ATOM 0 HB3 ALA B 76 59.751 75.048 47.463 1.00 36.39 H new ATOM 1678 N LEU B 77 62.173 73.530 48.197 1.00 39.62 N ATOM 1679 CA LEU B 77 62.822 72.213 48.234 1.00 36.53 C ATOM 1680 C LEU B 77 63.971 72.203 49.240 1.00 40.10 C ATOM 1681 O LEU B 77 64.192 71.220 49.943 1.00 40.68 O ATOM 1682 CB LEU B 77 63.347 71.822 46.850 1.00 37.81 C ATOM 1683 CG LEU B 77 62.314 71.484 45.772 1.00 43.30 C ATOM 1684 CD1 LEU B 77 62.990 71.071 44.463 1.00 40.09 C ATOM 1685 CD2 LEU B 77 61.371 70.391 46.253 1.00 40.65 C ATOM 0 H LEU B 77 62.263 73.952 47.453 1.00 39.62 H new ATOM 0 HA LEU B 77 62.155 71.565 48.510 1.00 36.53 H new ATOM 0 HB2 LEU B 77 63.895 72.551 46.521 1.00 37.81 H new ATOM 0 HB3 LEU B 77 63.930 71.054 46.957 1.00 37.81 H new ATOM 0 HG LEU B 77 61.795 72.285 45.600 1.00 43.30 H new ATOM 0 HD11 LEU B 77 62.313 70.863 43.800 1.00 40.09 H new ATOM 0 HD12 LEU B 77 63.544 71.799 44.141 1.00 40.09 H new ATOM 0 HD13 LEU B 77 63.542 70.288 44.617 1.00 40.09 H new ATOM 0 HD21 LEU B 77 60.725 70.191 45.557 1.00 40.65 H new ATOM 0 HD22 LEU B 77 61.880 69.592 46.460 1.00 40.65 H new ATOM 0 HD23 LEU B 77 60.905 70.692 47.049 1.00 40.65 H new ATOM 1686 N ILE B 78 64.700 73.311 49.305 1.00 39.40 N ATOM 1687 CA ILE B 78 65.870 73.381 50.166 1.00 40.95 C ATOM 1688 C ILE B 78 65.438 73.480 51.623 1.00 41.52 C ATOM 1689 O ILE B 78 66.151 73.017 52.506 1.00 39.13 O ATOM 1690 CB ILE B 78 66.793 74.573 49.802 1.00 39.22 C ATOM 1691 CG1 ILE B 78 67.341 74.416 48.384 1.00 42.58 C ATOM 1692 CG2 ILE B 78 67.967 74.668 50.755 1.00 40.73 C ATOM 1693 CD1 ILE B 78 67.908 73.038 48.132 1.00 47.37 C ATOM 0 H ILE B 78 64.535 74.029 48.861 1.00 39.40 H new ATOM 0 HA ILE B 78 66.381 72.567 50.031 1.00 40.95 H new ATOM 0 HB ILE B 78 66.257 75.379 49.866 1.00 39.22 H new ATOM 0 HG12 ILE B 78 66.633 74.593 47.745 1.00 42.58 H new ATOM 0 HG13 ILE B 78 68.032 75.080 48.232 1.00 42.58 H new ATOM 0 HG21 ILE B 78 68.527 75.420 50.505 1.00 40.73 H new ATOM 0 HG22 ILE B 78 67.640 74.795 51.659 1.00 40.73 H new ATOM 0 HG23 ILE B 78 68.487 73.850 50.711 1.00 40.73 H new ATOM 0 HD11 ILE B 78 68.242 72.987 47.223 1.00 47.37 H new ATOM 0 HD12 ILE B 78 68.634 72.868 48.753 1.00 47.37 H new ATOM 0 HD13 ILE B 78 67.213 72.374 48.258 1.00 47.37 H new ATOM 1694 N GLN B 79 64.273 74.074 51.889 1.00 40.20 N ATOM 1695 CA GLN B 79 63.743 74.009 53.254 1.00 43.21 C ATOM 1696 C GLN B 79 63.520 72.543 53.664 1.00 42.08 C ATOM 1697 O GLN B 79 63.869 72.135 54.785 1.00 40.84 O ATOM 1698 CB GLN B 79 62.435 74.791 53.393 1.00 42.68 C ATOM 1699 CG GLN B 79 62.588 76.286 53.252 1.00 48.53 C ATOM 1700 CD GLN B 79 63.344 76.902 54.412 1.00 53.72 C ATOM 1701 OE1 GLN B 79 64.342 77.608 54.225 1.00 49.64 O ATOM 1702 NE2 GLN B 79 62.866 76.646 55.621 1.00 53.31 N ATOM 0 H GLN B 79 63.791 74.503 51.321 1.00 40.20 H new ATOM 0 HA GLN B 79 64.397 74.417 53.843 1.00 43.21 H new ATOM 0 HB2 GLN B 79 61.809 74.476 52.722 1.00 42.68 H new ATOM 0 HB3 GLN B 79 62.045 74.597 54.259 1.00 42.68 H new ATOM 0 HG2 GLN B 79 63.053 76.484 52.424 1.00 48.53 H new ATOM 0 HG3 GLN B 79 61.710 76.694 53.188 1.00 48.53 H new ATOM 0 HE21 GLN B 79 62.169 76.150 55.712 1.00 53.31 H new ATOM 0 HE22 GLN B 79 63.253 76.976 56.315 1.00 53.31 H new ATOM 1703 N CYS B 80 62.947 71.755 52.755 1.00 32.08 N ATOM 1704 CA CYS B 80 62.736 70.352 53.054 1.00 40.28 C ATOM 1705 C CYS B 80 64.057 69.647 53.294 1.00 39.47 C ATOM 1706 O CYS B 80 64.160 68.838 54.211 1.00 36.99 O ATOM 1707 CB CYS B 80 61.968 69.654 51.935 1.00 39.37 C ATOM 1708 SG CYS B 80 60.326 70.311 51.683 1.00 38.02 S ATOM 0 H CYS B 80 62.681 72.011 51.978 1.00 32.08 H new ATOM 0 HA CYS B 80 62.204 70.305 53.864 1.00 40.28 H new ATOM 0 HB2 CYS B 80 62.471 69.733 51.109 1.00 39.37 H new ATOM 0 HB3 CYS B 80 61.903 68.708 52.138 1.00 39.37 H new ATOM 0 HG CYS B 80 60.403 71.414 51.216 1.00 38.02 H new ATOM 1709 N ALA B 81 65.061 69.957 52.475 1.00 39.71 N ATOM 1710 CA ALA B 81 66.377 69.332 52.623 1.00 40.10 C ATOM 1711 C ALA B 81 67.005 69.729 53.947 1.00 41.62 C ATOM 1712 O ALA B 81 67.548 68.888 54.676 1.00 41.03 O ATOM 1713 CB ALA B 81 67.305 69.726 51.467 1.00 37.21 C ATOM 0 H ALA B 81 65.003 70.523 51.830 1.00 39.71 H new ATOM 0 HA ALA B 81 66.255 68.370 52.605 1.00 40.10 H new ATOM 0 HB1 ALA B 81 68.169 69.301 51.586 1.00 37.21 H new ATOM 0 HB2 ALA B 81 66.916 69.437 50.627 1.00 37.21 H new ATOM 0 HB3 ALA B 81 67.418 70.689 51.456 1.00 37.21 H new ATOM 1714 N LYS B 82 66.926 71.021 54.252 1.00 37.40 N ATOM 1715 CA LYS B 82 67.539 71.562 55.458 1.00 40.92 C ATOM 1716 C LYS B 82 66.922 70.980 56.722 1.00 43.81 C ATOM 1717 O LYS B 82 67.640 70.590 57.647 1.00 42.47 O ATOM 1718 CB LYS B 82 67.411 73.090 55.487 1.00 39.59 C ATOM 1719 CG LYS B 82 68.121 73.741 56.661 1.00 40.24 C ATOM 1720 CD LYS B 82 67.976 75.250 56.590 1.00 46.65 C ATOM 1721 CE LYS B 82 68.531 75.930 57.839 1.00 53.50 C ATOM 1722 NZ LYS B 82 68.211 77.402 57.882 1.00 64.56 N ATOM 0 H LYS B 82 66.518 71.604 53.769 1.00 37.40 H new ATOM 0 HA LYS B 82 68.476 71.312 55.436 1.00 40.92 H new ATOM 0 HB2 LYS B 82 67.769 73.452 54.662 1.00 39.59 H new ATOM 0 HB3 LYS B 82 66.471 73.327 55.516 1.00 39.59 H new ATOM 0 HG2 LYS B 82 67.750 73.413 57.495 1.00 40.24 H new ATOM 0 HG3 LYS B 82 69.060 73.499 56.654 1.00 40.24 H new ATOM 0 HD2 LYS B 82 68.440 75.583 55.806 1.00 46.65 H new ATOM 0 HD3 LYS B 82 67.040 75.481 56.485 1.00 46.65 H new ATOM 0 HE2 LYS B 82 68.166 75.499 58.628 1.00 53.50 H new ATOM 0 HE3 LYS B 82 69.493 75.810 57.869 1.00 53.50 H new ATOM 0 HZ1 LYS B 82 68.551 77.758 58.623 1.00 64.56 H new ATOM 0 HZ2 LYS B 82 68.564 77.804 57.171 1.00 64.56 H new ATOM 0 HZ3 LYS B 82 67.328 77.514 57.878 1.00 64.56 H new ATOM 1723 N GLU B 83 65.589 70.934 56.753 1.00 41.46 N ATOM 1724 CA GLU B 83 64.860 70.549 57.961 1.00 44.69 C ATOM 1725 C GLU B 83 64.586 69.052 58.010 1.00 44.67 C ATOM 1726 O GLU B 83 64.146 68.537 59.028 1.00 44.50 O ATOM 1727 CB GLU B 83 63.537 71.317 58.057 1.00 40.83 C ATOM 1728 CG GLU B 83 63.688 72.832 57.942 1.00 45.18 C ATOM 1729 CD GLU B 83 64.516 73.431 59.080 1.00 51.02 C ATOM 1730 OE1 GLU B 83 64.616 72.774 60.139 1.00 51.07 O ATOM 1731 OE2 GLU B 83 65.059 74.557 58.921 1.00 49.24 O ATOM 0 H GLU B 83 65.087 71.123 56.081 1.00 41.46 H new ATOM 0 HA GLU B 83 65.423 70.775 58.717 1.00 44.69 H new ATOM 0 HB2 GLU B 83 62.942 71.007 57.357 1.00 40.83 H new ATOM 0 HB3 GLU B 83 63.113 71.107 58.904 1.00 40.83 H new ATOM 0 HG2 GLU B 83 64.107 73.048 57.094 1.00 45.18 H new ATOM 0 HG3 GLU B 83 62.809 73.241 57.937 1.00 45.18 H new ATOM 1732 N GLY B 84 64.846 68.354 56.910 1.00 42.79 N ATOM 1733 CA GLY B 84 64.575 66.928 56.865 1.00 40.67 C ATOM 1734 C GLY B 84 63.079 66.652 56.854 1.00 44.42 C ATOM 1735 O GLY B 84 62.579 65.794 57.594 1.00 44.92 O ATOM 0 H GLY B 84 65.176 68.685 56.188 1.00 42.79 H new ATOM 0 HA2 GLY B 84 64.983 66.544 56.073 1.00 40.67 H new ATOM 0 HA3 GLY B 84 64.981 66.495 57.632 1.00 40.67 H new ATOM 1736 N ILE B 85 62.368 67.394 56.010 1.00 37.18 N ATOM 1737 CA ILE B 85 60.964 67.171 55.747 1.00 37.25 C ATOM 1738 C ILE B 85 60.797 66.548 54.356 1.00 42.32 C ATOM 1739 O ILE B 85 61.378 67.035 53.396 1.00 43.56 O ATOM 1740 CB ILE B 85 60.197 68.496 55.834 1.00 42.28 C ATOM 1741 CG1 ILE B 85 60.322 69.095 57.244 1.00 39.92 C ATOM 1742 CG2 ILE B 85 58.751 68.313 55.408 1.00 39.50 C ATOM 1743 CD1 ILE B 85 59.863 70.544 57.330 1.00 39.16 C ATOM 0 H ILE B 85 62.701 68.053 55.569 1.00 37.18 H new ATOM 0 HA ILE B 85 60.604 66.563 56.411 1.00 37.25 H new ATOM 0 HB ILE B 85 60.592 69.130 55.216 1.00 42.28 H new ATOM 0 HG12 ILE B 85 59.800 68.560 57.862 1.00 39.92 H new ATOM 0 HG13 ILE B 85 61.247 69.038 57.531 1.00 39.92 H new ATOM 0 HG21 ILE B 85 58.285 69.162 55.471 1.00 39.50 H new ATOM 0 HG22 ILE B 85 58.721 67.995 54.492 1.00 39.50 H new ATOM 0 HG23 ILE B 85 58.322 67.666 55.989 1.00 39.50 H new ATOM 0 HD11 ILE B 85 59.966 70.863 58.240 1.00 39.16 H new ATOM 0 HD12 ILE B 85 60.400 71.090 56.734 1.00 39.16 H new ATOM 0 HD13 ILE B 85 58.930 70.604 57.071 1.00 39.16 H new ATOM 1744 N SER B 86 60.024 65.475 54.225 1.00 37.03 N ATOM 1745 CA SER B 86 59.936 64.820 52.926 1.00 35.83 C ATOM 1746 C SER B 86 59.111 65.582 51.886 1.00 42.07 C ATOM 1747 O SER B 86 57.951 65.915 52.126 1.00 37.19 O ATOM 1748 CB SER B 86 59.357 63.424 53.063 1.00 40.46 C ATOM 1749 OG SER B 86 59.050 62.926 51.763 1.00 46.14 O ATOM 0 H SER B 86 59.557 65.120 54.853 1.00 37.03 H new ATOM 0 HA SER B 86 60.851 64.791 52.605 1.00 35.83 H new ATOM 0 HB2 SER B 86 59.991 62.839 53.506 1.00 40.46 H new ATOM 0 HB3 SER B 86 58.558 63.444 53.613 1.00 40.46 H new ATOM 0 HG SER B 86 59.763 62.781 51.343 1.00 46.14 H new ATOM 1750 N ALA B 87 59.715 65.829 50.722 1.00 38.80 N ATOM 1751 CA ALA B 87 59.032 66.466 49.602 1.00 35.84 C ATOM 1752 C ALA B 87 58.425 65.437 48.667 1.00 40.58 C ATOM 1753 O ALA B 87 57.788 65.796 47.690 1.00 40.08 O ATOM 1754 CB ALA B 87 59.988 67.346 48.821 1.00 33.45 C ATOM 0 H ALA B 87 60.536 65.630 50.562 1.00 38.80 H new ATOM 0 HA ALA B 87 58.320 67.011 49.972 1.00 35.84 H new ATOM 0 HB1 ALA B 87 59.516 67.760 48.082 1.00 33.45 H new ATOM 0 HB2 ALA B 87 60.343 68.035 49.404 1.00 33.45 H new ATOM 0 HB3 ALA B 87 60.717 66.807 48.477 1.00 33.45 H new ATOM 1755 N ASN B 88 58.661 64.158 48.932 1.00 39.97 N ATOM 1756 CA ASN B 88 58.129 63.133 48.051 1.00 42.24 C ATOM 1757 C ASN B 88 56.610 63.103 48.104 1.00 42.80 C ATOM 1758 O ASN B 88 56.026 63.196 49.181 1.00 43.21 O ATOM 1759 CB ASN B 88 58.678 61.752 48.401 1.00 38.35 C ATOM 1760 CG ASN B 88 58.671 60.820 47.203 1.00 45.35 C ATOM 1761 OD1 ASN B 88 58.417 61.252 46.076 1.00 47.12 O ATOM 1762 ND2 ASN B 88 58.943 59.547 47.433 1.00 41.82 N ATOM 0 H ASN B 88 59.117 63.869 49.602 1.00 39.97 H new ATOM 0 HA ASN B 88 58.412 63.359 47.151 1.00 42.24 H new ATOM 0 HB2 ASN B 88 59.584 61.840 48.737 1.00 38.35 H new ATOM 0 HB3 ASN B 88 58.147 61.365 49.115 1.00 38.35 H new ATOM 0 HD21 ASN B 88 58.947 58.984 46.783 1.00 41.82 H new ATOM 0 HD22 ASN B 88 59.116 59.282 48.233 1.00 41.82 H new ATOM 1763 N ASN B 89 55.998 62.983 46.927 1.00 38.92 N ATOM 1764 CA ASN B 89 54.550 62.875 46.762 1.00 44.48 C ATOM 1765 C ASN B 89 53.815 64.134 47.185 1.00 45.56 C ATOM 1766 O ASN B 89 52.647 64.091 47.540 1.00 47.74 O ATOM 1767 CB ASN B 89 54.016 61.659 47.529 1.00 43.02 C ATOM 1768 CG ASN B 89 54.704 60.375 47.110 1.00 49.64 C ATOM 1769 OD1 ASN B 89 54.529 59.914 45.984 1.00 49.64 O ATOM 1770 ND2 ASN B 89 55.508 59.801 48.008 1.00 51.10 N ATOM 0 H ASN B 89 56.426 62.962 46.182 1.00 38.92 H new ATOM 0 HA ASN B 89 54.382 62.758 45.814 1.00 44.48 H new ATOM 0 HB2 ASN B 89 54.143 61.797 48.481 1.00 43.02 H new ATOM 0 HB3 ASN B 89 53.061 61.577 47.379 1.00 43.02 H new ATOM 0 HD21 ASN B 89 55.929 59.078 47.808 1.00 51.10 H new ATOM 0 HD22 ASN B 89 55.605 60.154 48.786 1.00 51.10 H new ATOM 1771 N THR B 90 54.511 65.261 47.145 1.00 45.78 N ATOM 1772 CA THR B 90 53.877 66.546 47.369 1.00 41.59 C ATOM 1773 C THR B 90 53.379 67.121 46.052 1.00 41.65 C ATOM 1774 O THR B 90 53.585 66.544 44.983 1.00 41.24 O ATOM 1775 CB THR B 90 54.846 67.563 48.015 1.00 43.88 C ATOM 1776 OG1 THR B 90 56.023 67.693 47.195 1.00 40.33 O ATOM 1777 CG2 THR B 90 55.234 67.127 49.422 1.00 41.68 C ATOM 0 H THR B 90 55.356 65.301 46.989 1.00 45.78 H new ATOM 0 HA THR B 90 53.135 66.395 47.976 1.00 41.59 H new ATOM 0 HB THR B 90 54.398 68.421 48.079 1.00 43.88 H new ATOM 0 HG1 THR B 90 56.638 67.216 47.510 1.00 40.33 H new ATOM 0 HG21 THR B 90 55.841 67.778 49.807 1.00 41.68 H new ATOM 0 HG22 THR B 90 54.438 67.063 49.972 1.00 41.68 H new ATOM 0 HG23 THR B 90 55.671 66.262 49.384 1.00 41.68 H new ATOM 1778 N GLU B 91 52.731 68.275 46.147 1.00 40.10 N ATOM 1779 CA GLU B 91 52.357 69.066 44.989 1.00 41.00 C ATOM 1780 C GLU B 91 52.777 70.498 45.291 1.00 37.39 C ATOM 1781 O GLU B 91 52.924 70.878 46.458 1.00 35.97 O ATOM 1782 CB GLU B 91 50.848 68.975 44.704 1.00 42.52 C ATOM 1783 CG GLU B 91 49.968 69.557 45.806 1.00 47.55 C ATOM 1784 CD GLU B 91 48.479 69.515 45.479 1.00 54.32 C ATOM 1785 OE1 GLU B 91 48.116 69.642 44.291 1.00 58.63 O ATOM 1786 OE2 GLU B 91 47.671 69.334 46.419 1.00 59.70 O ATOM 0 H GLU B 91 52.494 68.623 46.897 1.00 40.10 H new ATOM 0 HA GLU B 91 52.797 68.735 44.191 1.00 41.00 H new ATOM 0 HB2 GLU B 91 50.657 69.438 43.873 1.00 42.52 H new ATOM 0 HB3 GLU B 91 50.610 68.044 44.571 1.00 42.52 H new ATOM 0 HG2 GLU B 91 50.125 69.068 46.629 1.00 47.55 H new ATOM 0 HG3 GLU B 91 50.231 70.477 45.968 1.00 47.55 H new ATOM 1787 N ILE B 92 53.002 71.300 44.261 1.00 36.82 N ATOM 1788 CA ILE B 92 53.438 72.670 44.531 1.00 40.20 C ATOM 1789 C ILE B 92 52.490 73.699 43.923 1.00 39.44 C ATOM 1790 O ILE B 92 51.897 73.469 42.877 1.00 39.27 O ATOM 1791 CB ILE B 92 54.889 72.915 44.013 1.00 39.31 C ATOM 1792 CG1 ILE B 92 55.469 74.214 44.580 1.00 40.16 C ATOM 1793 CG2 ILE B 92 54.943 72.895 42.488 1.00 38.50 C ATOM 1794 CD1 ILE B 92 56.948 74.394 44.254 1.00 42.22 C ATOM 0 H ILE B 92 52.915 71.088 43.432 1.00 36.82 H new ATOM 0 HA ILE B 92 53.427 72.781 45.495 1.00 40.20 H new ATOM 0 HB ILE B 92 55.444 72.186 44.332 1.00 39.31 H new ATOM 0 HG12 ILE B 92 54.970 74.967 44.226 1.00 40.16 H new ATOM 0 HG13 ILE B 92 55.351 74.223 45.543 1.00 40.16 H new ATOM 0 HG21 ILE B 92 55.854 73.050 42.194 1.00 38.50 H new ATOM 0 HG22 ILE B 92 54.641 72.032 42.165 1.00 38.50 H new ATOM 0 HG23 ILE B 92 54.367 73.591 42.134 1.00 38.50 H new ATOM 0 HD11 ILE B 92 57.264 75.228 44.634 1.00 42.22 H new ATOM 0 HD12 ILE B 92 57.454 73.656 44.628 1.00 42.22 H new ATOM 0 HD13 ILE B 92 57.068 74.412 43.292 1.00 42.22 H new ATOM 1795 N TYR B 93 52.353 74.827 44.612 1.00 42.91 N ATOM 1796 CA TYR B 93 51.622 75.992 44.124 1.00 41.73 C ATOM 1797 C TYR B 93 52.600 77.145 43.942 1.00 42.43 C ATOM 1798 O TYR B 93 53.266 77.547 44.893 1.00 39.29 O ATOM 1799 CB TYR B 93 50.496 76.380 45.103 1.00 41.32 C ATOM 1800 CG TYR B 93 49.367 75.379 45.127 1.00 41.50 C ATOM 1801 CD1 TYR B 93 49.448 74.228 45.896 1.00 42.38 C ATOM 1802 CD2 TYR B 93 48.227 75.572 44.359 1.00 44.50 C ATOM 1803 CE1 TYR B 93 48.415 73.293 45.896 1.00 47.37 C ATOM 1804 CE2 TYR B 93 47.195 74.652 44.357 1.00 45.38 C ATOM 1805 CZ TYR B 93 47.293 73.517 45.122 1.00 46.70 C ATOM 1806 OH TYR B 93 46.269 72.606 45.119 1.00 51.47 O ATOM 0 H TYR B 93 52.691 74.939 45.395 1.00 42.91 H new ATOM 0 HA TYR B 93 51.208 75.781 43.272 1.00 41.73 H new ATOM 0 HB2 TYR B 93 50.865 76.465 45.996 1.00 41.32 H new ATOM 0 HB3 TYR B 93 50.145 77.250 44.857 1.00 41.32 H new ATOM 0 HD1 TYR B 93 50.202 74.078 46.419 1.00 42.38 H new ATOM 0 HD2 TYR B 93 48.156 76.337 43.834 1.00 44.50 H new ATOM 0 HE1 TYR B 93 48.480 72.523 46.414 1.00 47.37 H new ATOM 0 HE2 TYR B 93 46.437 74.802 43.839 1.00 45.38 H new ATOM 0 HH TYR B 93 45.658 72.873 44.608 1.00 51.47 H new ATOM 1807 N VAL B 94 52.688 77.685 42.731 1.00 43.18 N ATOM 1808 CA VAL B 94 53.670 78.728 42.452 1.00 45.89 C ATOM 1809 C VAL B 94 53.041 79.907 41.733 1.00 48.64 C ATOM 1810 O VAL B 94 52.126 79.734 40.924 1.00 49.75 O ATOM 1811 CB VAL B 94 54.855 78.193 41.590 1.00 44.51 C ATOM 1812 CG1 VAL B 94 55.622 77.160 42.352 1.00 46.64 C ATOM 1813 CG2 VAL B 94 54.352 77.594 40.289 1.00 46.11 C ATOM 0 H VAL B 94 52.194 77.465 42.063 1.00 43.18 H new ATOM 0 HA VAL B 94 54.008 79.018 43.314 1.00 45.89 H new ATOM 0 HB VAL B 94 55.437 78.941 41.383 1.00 44.51 H new ATOM 0 HG11 VAL B 94 56.356 76.834 41.807 1.00 46.64 H new ATOM 0 HG12 VAL B 94 55.974 77.553 43.166 1.00 46.64 H new ATOM 0 HG13 VAL B 94 55.035 76.422 42.577 1.00 46.64 H new ATOM 0 HG21 VAL B 94 55.104 77.269 39.770 1.00 46.11 H new ATOM 0 HG22 VAL B 94 53.751 76.858 40.483 1.00 46.11 H new ATOM 0 HG23 VAL B 94 53.879 78.272 39.782 1.00 46.11 H new ATOM 1814 N THR B 95 53.543 81.105 42.007 1.00 44.51 N ATOM 1815 CA THR B 95 53.024 82.287 41.336 1.00 47.90 C ATOM 1816 C THR B 95 53.384 82.280 39.844 1.00 51.35 C ATOM 1817 O THR B 95 52.577 82.655 39.000 1.00 54.14 O ATOM 1818 CB THR B 95 53.535 83.585 41.996 1.00 43.79 C ATOM 1819 OG1 THR B 95 54.963 83.569 42.057 1.00 48.36 O ATOM 1820 CG2 THR B 95 52.976 83.721 43.409 1.00 47.38 C ATOM 0 H THR B 95 54.176 81.254 42.570 1.00 44.51 H new ATOM 0 HA THR B 95 52.058 82.262 41.423 1.00 47.90 H new ATOM 0 HB THR B 95 53.237 84.338 41.462 1.00 43.79 H new ATOM 0 HG1 THR B 95 55.276 84.031 41.429 1.00 48.36 H new ATOM 0 HG21 THR B 95 53.306 84.540 43.810 1.00 47.38 H new ATOM 0 HG22 THR B 95 52.007 83.746 43.373 1.00 47.38 H new ATOM 0 HG23 THR B 95 53.259 82.963 43.944 1.00 47.38 H new ATOM 1821 N HIS B 96 54.592 81.837 39.520 1.00 53.00 N ATOM 1822 CA HIS B 96 55.032 81.783 38.130 1.00 50.79 C ATOM 1823 C HIS B 96 55.519 80.366 37.810 1.00 53.16 C ATOM 1824 O HIS B 96 56.149 79.723 38.659 1.00 52.28 O ATOM 1825 CB HIS B 96 56.128 82.831 37.881 1.00 50.62 C ATOM 1826 CG HIS B 96 56.498 82.993 36.437 1.00 62.86 C ATOM 1827 ND1 HIS B 96 55.741 83.729 35.548 1.00 63.33 N ATOM 1828 CD2 HIS B 96 57.554 82.523 35.726 1.00 66.12 C ATOM 1829 CE1 HIS B 96 56.303 83.695 34.353 1.00 65.56 C ATOM 1830 NE2 HIS B 96 57.405 82.969 34.434 1.00 74.81 N ATOM 0 H HIS B 96 55.174 81.562 40.090 1.00 53.00 H new ATOM 0 HA HIS B 96 54.291 81.992 37.539 1.00 50.79 H new ATOM 0 HB2 HIS B 96 55.829 83.687 38.227 1.00 50.62 H new ATOM 0 HB3 HIS B 96 56.920 82.583 38.383 1.00 50.62 H new ATOM 0 HD2 HIS B 96 58.249 81.997 36.052 1.00 66.12 H new ATOM 0 HE1 HIS B 96 55.979 84.110 33.586 1.00 65.56 H new ATOM 0 HE2 HIS B 96 57.942 82.803 33.783 1.00 74.81 H new ATOM 1831 N PHE B 97 55.217 79.855 36.615 1.00 52.47 N ATOM 1832 CA PHE B 97 55.701 78.518 36.268 1.00 51.60 C ATOM 1833 C PHE B 97 57.238 78.526 36.326 1.00 53.79 C ATOM 1834 O PHE B 97 57.863 79.511 35.939 1.00 52.15 O ATOM 1835 CB PHE B 97 55.206 78.052 34.898 1.00 49.50 C ATOM 1836 CG PHE B 97 55.534 76.607 34.610 1.00 55.57 C ATOM 1837 CD1 PHE B 97 56.725 76.256 33.982 1.00 54.41 C ATOM 1838 CD2 PHE B 97 54.688 75.592 35.032 1.00 55.82 C ATOM 1839 CE1 PHE B 97 57.042 74.929 33.750 1.00 50.85 C ATOM 1840 CE2 PHE B 97 55.004 74.259 34.805 1.00 55.41 C ATOM 1841 CZ PHE B 97 56.182 73.929 34.159 1.00 54.75 C ATOM 0 H PHE B 97 54.750 80.250 36.010 1.00 52.47 H new ATOM 0 HA PHE B 97 55.345 77.884 36.910 1.00 51.60 H new ATOM 0 HB2 PHE B 97 54.245 78.176 34.848 1.00 49.50 H new ATOM 0 HB3 PHE B 97 55.601 78.611 34.210 1.00 49.50 H new ATOM 0 HD1 PHE B 97 57.316 76.922 33.714 1.00 54.41 H new ATOM 0 HD2 PHE B 97 53.898 75.807 35.473 1.00 55.82 H new ATOM 0 HE1 PHE B 97 57.836 74.710 33.318 1.00 50.85 H new ATOM 0 HE2 PHE B 97 54.424 73.589 35.087 1.00 55.41 H new ATOM 0 HZ PHE B 97 56.394 73.037 34.001 1.00 54.75 H new ATOM 1842 N PRO B 98 57.842 77.447 36.866 1.00 51.17 N ATOM 1843 CA PRO B 98 59.281 77.402 37.163 1.00 50.77 C ATOM 1844 C PRO B 98 60.189 77.344 35.934 1.00 48.21 C ATOM 1845 O PRO B 98 59.800 76.769 34.918 1.00 45.25 O ATOM 1846 CB PRO B 98 59.441 76.100 37.966 1.00 47.37 C ATOM 1847 CG PRO B 98 58.091 75.684 38.348 1.00 54.11 C ATOM 1848 CD PRO B 98 57.146 76.243 37.351 1.00 51.06 C ATOM 0 HA PRO B 98 59.548 78.213 37.623 1.00 50.77 H new ATOM 0 HB2 PRO B 98 59.876 75.416 37.433 1.00 47.37 H new ATOM 0 HB3 PRO B 98 59.994 76.243 38.750 1.00 47.37 H new ATOM 0 HG2 PRO B 98 58.027 74.716 38.372 1.00 54.11 H new ATOM 0 HG3 PRO B 98 57.875 76.004 39.238 1.00 54.11 H new ATOM 0 HD2 PRO B 98 56.971 75.616 36.632 1.00 51.06 H new ATOM 0 HD3 PRO B 98 56.290 76.461 37.752 1.00 51.06 H new ATOM 1849 N CYS B 99 61.398 77.891 36.058 1.00 47.17 N ATOM 1850 CA CYS B 99 62.457 77.703 35.054 1.00 43.77 C ATOM 1851 C CYS B 99 62.829 76.226 34.936 1.00 43.59 C ATOM 1852 O CYS B 99 62.424 75.403 35.765 1.00 43.97 O ATOM 1853 CB CYS B 99 63.694 78.522 35.412 1.00 36.28 C ATOM 1854 SG CYS B 99 64.698 77.796 36.774 1.00 44.58 S ATOM 0 H CYS B 99 61.631 78.382 36.725 1.00 47.17 H new ATOM 0 HA CYS B 99 62.117 78.011 34.199 1.00 43.77 H new ATOM 0 HB2 CYS B 99 64.251 78.612 34.623 1.00 36.28 H new ATOM 0 HB3 CYS B 99 63.417 79.416 35.667 1.00 36.28 H new ATOM 1855 N ILE B 100 63.609 75.879 33.920 1.00 40.98 N ATOM 1856 CA ILE B 100 63.852 74.470 33.651 1.00 42.85 C ATOM 1857 C ILE B 100 64.674 73.820 34.779 1.00 41.03 C ATOM 1858 O ILE B 100 64.418 72.674 35.150 1.00 41.60 O ATOM 1859 CB ILE B 100 64.546 74.269 32.280 1.00 45.90 C ATOM 1860 CG1 ILE B 100 64.893 72.793 32.061 1.00 45.76 C ATOM 1861 CG2 ILE B 100 65.768 75.171 32.143 1.00 47.13 C ATOM 1862 CD1 ILE B 100 63.665 71.876 32.008 1.00 45.28 C ATOM 0 H ILE B 100 63.999 76.429 33.386 1.00 40.98 H new ATOM 0 HA ILE B 100 62.989 74.029 33.616 1.00 42.85 H new ATOM 0 HB ILE B 100 63.925 74.529 31.582 1.00 45.90 H new ATOM 0 HG12 ILE B 100 65.389 72.705 31.232 1.00 45.76 H new ATOM 0 HG13 ILE B 100 65.478 72.497 32.775 1.00 45.76 H new ATOM 0 HG21 ILE B 100 66.182 75.026 31.278 1.00 47.13 H new ATOM 0 HG22 ILE B 100 65.496 76.099 32.219 1.00 47.13 H new ATOM 0 HG23 ILE B 100 66.404 74.963 32.845 1.00 47.13 H new ATOM 0 HD11 ILE B 100 63.951 70.960 31.868 1.00 45.28 H new ATOM 0 HD12 ILE B 100 63.178 71.938 32.845 1.00 45.28 H new ATOM 0 HD13 ILE B 100 63.088 72.149 31.278 1.00 45.28 H new ATOM 1863 N ASN B 101 65.640 74.550 35.330 1.00 40.94 N ATOM 1864 CA ASN B 101 66.440 74.039 36.451 1.00 48.14 C ATOM 1865 C ASN B 101 65.565 73.646 37.649 1.00 45.26 C ATOM 1866 O ASN B 101 65.691 72.546 38.196 1.00 43.35 O ATOM 1867 CB ASN B 101 67.487 75.076 36.893 1.00 47.01 C ATOM 1868 CG ASN B 101 68.547 74.481 37.828 1.00 59.40 C ATOM 1869 OD1 ASN B 101 68.576 74.765 39.039 1.00 55.26 O ATOM 1870 ND2 ASN B 101 69.421 73.638 37.265 1.00 62.28 N ATOM 0 H ASN B 101 65.851 75.343 35.073 1.00 40.94 H new ATOM 0 HA ASN B 101 66.892 73.242 36.134 1.00 48.14 H new ATOM 0 HB2 ASN B 101 67.923 75.445 36.109 1.00 47.01 H new ATOM 0 HB3 ASN B 101 67.040 75.811 37.342 1.00 47.01 H new ATOM 0 HD21 ASN B 101 70.033 73.269 37.744 1.00 62.28 H new ATOM 0 HD22 ASN B 101 69.371 73.465 36.424 1.00 62.28 H new ATOM 1871 N CYS B 102 64.675 74.558 38.036 1.00 45.25 N ATOM 1872 CA CYS B 102 63.721 74.327 39.113 1.00 42.41 C ATOM 1873 C CYS B 102 62.788 73.173 38.816 1.00 41.81 C ATOM 1874 O CYS B 102 62.522 72.344 39.690 1.00 42.63 O ATOM 1875 CB CYS B 102 62.905 75.581 39.371 1.00 42.43 C ATOM 1876 SG CYS B 102 63.719 76.704 40.464 1.00 48.09 S ATOM 0 H CYS B 102 64.609 75.336 37.675 1.00 45.25 H new ATOM 0 HA CYS B 102 64.236 74.098 39.902 1.00 42.41 H new ATOM 0 HB2 CYS B 102 62.727 76.027 38.528 1.00 42.43 H new ATOM 0 HB3 CYS B 102 62.046 75.333 39.748 1.00 42.43 H new ATOM 1877 N THR B 103 62.299 73.113 37.584 1.00 38.38 N ATOM 1878 CA THR B 103 61.409 72.030 37.202 1.00 40.70 C ATOM 1879 C THR B 103 62.091 70.683 37.396 1.00 43.25 C ATOM 1880 O THR B 103 61.506 69.763 37.992 1.00 43.22 O ATOM 1881 CB THR B 103 60.944 72.154 35.744 1.00 42.32 C ATOM 1882 OG1 THR B 103 60.204 73.366 35.583 1.00 44.32 O ATOM 1883 CG2 THR B 103 60.063 70.976 35.364 1.00 44.51 C ATOM 0 H THR B 103 62.468 73.682 36.962 1.00 38.38 H new ATOM 0 HA THR B 103 60.630 72.090 37.777 1.00 40.70 H new ATOM 0 HB THR B 103 61.724 72.162 35.168 1.00 42.32 H new ATOM 0 HG1 THR B 103 60.728 74.021 35.618 1.00 44.32 H new ATOM 0 HG21 THR B 103 59.778 71.069 34.442 1.00 44.51 H new ATOM 0 HG22 THR B 103 60.563 70.151 35.466 1.00 44.51 H new ATOM 0 HG23 THR B 103 59.284 70.954 35.942 1.00 44.51 H new ATOM 1884 N LYS B 104 63.325 70.570 36.900 1.00 40.24 N ATOM 1885 CA LYS B 104 64.087 69.327 37.037 1.00 41.40 C ATOM 1886 C LYS B 104 64.225 68.940 38.512 1.00 40.04 C ATOM 1887 O LYS B 104 64.043 67.773 38.869 1.00 38.58 O ATOM 1888 CB LYS B 104 65.479 69.449 36.394 1.00 41.20 C ATOM 1889 CG LYS B 104 65.476 69.722 34.892 1.00 43.72 C ATOM 1890 CD LYS B 104 66.873 69.610 34.286 1.00 39.95 C ATOM 1891 CE LYS B 104 67.829 70.639 34.831 1.00 46.18 C ATOM 1892 NZ LYS B 104 69.178 70.451 34.230 1.00 47.57 N ATOM 0 H LYS B 104 63.737 71.199 36.482 1.00 40.24 H new ATOM 0 HA LYS B 104 63.598 68.631 36.571 1.00 41.40 H new ATOM 0 HB2 LYS B 104 65.964 70.163 36.838 1.00 41.20 H new ATOM 0 HB3 LYS B 104 65.969 68.628 36.559 1.00 41.20 H new ATOM 0 HG2 LYS B 104 64.882 69.094 34.451 1.00 43.72 H new ATOM 0 HG3 LYS B 104 65.123 70.610 34.726 1.00 43.72 H new ATOM 0 HD2 LYS B 104 67.226 68.723 34.459 1.00 39.95 H new ATOM 0 HD3 LYS B 104 66.812 69.709 33.323 1.00 39.95 H new ATOM 0 HE2 LYS B 104 67.501 71.531 34.636 1.00 46.18 H new ATOM 0 HE3 LYS B 104 67.883 70.562 35.796 1.00 46.18 H new ATOM 0 HZ1 LYS B 104 69.644 71.206 34.303 1.00 47.57 H new ATOM 0 HZ2 LYS B 104 69.605 69.797 34.657 1.00 47.57 H new ATOM 0 HZ3 LYS B 104 69.093 70.238 33.370 1.00 47.57 H new ATOM 1893 N ALA B 105 64.533 69.924 39.357 1.00 35.14 N ATOM 1894 CA ALA B 105 64.671 69.688 40.784 1.00 36.05 C ATOM 1895 C ALA B 105 63.341 69.267 41.421 1.00 38.33 C ATOM 1896 O ALA B 105 63.291 68.310 42.200 1.00 38.99 O ATOM 1897 CB ALA B 105 65.207 70.916 41.455 1.00 32.94 C ATOM 0 H ALA B 105 64.666 70.739 39.117 1.00 35.14 H new ATOM 0 HA ALA B 105 65.296 68.957 40.907 1.00 36.05 H new ATOM 0 HB1 ALA B 105 65.297 70.752 42.407 1.00 32.94 H new ATOM 0 HB2 ALA B 105 66.075 71.136 41.082 1.00 32.94 H new ATOM 0 HB3 ALA B 105 64.597 71.656 41.311 1.00 32.94 H new ATOM 1898 N LEU B 106 62.265 69.975 41.088 1.00 36.99 N ATOM 1899 CA LEU B 106 60.940 69.605 41.596 1.00 38.97 C ATOM 1900 C LEU B 106 60.587 68.164 41.213 1.00 37.78 C ATOM 1901 O LEU B 106 60.188 67.376 42.065 1.00 39.67 O ATOM 1902 CB LEU B 106 59.873 70.577 41.084 1.00 35.67 C ATOM 1903 CG LEU B 106 60.009 72.010 41.597 1.00 33.01 C ATOM 1904 CD1 LEU B 106 59.194 73.006 40.749 1.00 35.05 C ATOM 1905 CD2 LEU B 106 59.617 72.077 43.065 1.00 38.79 C ATOM 0 H LEU B 106 62.276 70.666 40.576 1.00 36.99 H new ATOM 0 HA LEU B 106 60.965 69.661 42.564 1.00 38.97 H new ATOM 0 HB2 LEU B 106 59.904 70.590 40.115 1.00 35.67 H new ATOM 0 HB3 LEU B 106 58.999 70.239 41.335 1.00 35.67 H new ATOM 0 HG LEU B 106 60.939 72.273 41.513 1.00 33.01 H new ATOM 0 HD11 LEU B 106 59.306 73.901 41.105 1.00 35.05 H new ATOM 0 HD12 LEU B 106 59.507 72.982 39.831 1.00 35.05 H new ATOM 0 HD13 LEU B 106 58.255 72.762 40.776 1.00 35.05 H new ATOM 0 HD21 LEU B 106 59.706 72.989 43.383 1.00 38.79 H new ATOM 0 HD22 LEU B 106 58.697 71.788 43.168 1.00 38.79 H new ATOM 0 HD23 LEU B 106 60.198 71.497 43.582 1.00 38.79 H new ATOM 1906 N LEU B 107 60.757 67.804 39.945 1.00 38.86 N ATOM 1907 CA LEU B 107 60.407 66.451 39.516 1.00 39.25 C ATOM 1908 C LEU B 107 61.305 65.416 40.204 1.00 40.15 C ATOM 1909 O LEU B 107 60.844 64.342 40.589 1.00 42.50 O ATOM 1910 CB LEU B 107 60.497 66.319 37.986 1.00 40.41 C ATOM 1911 CG LEU B 107 59.552 67.242 37.204 1.00 44.94 C ATOM 1912 CD1 LEU B 107 59.754 67.128 35.701 1.00 43.02 C ATOM 1913 CD2 LEU B 107 58.101 66.967 37.551 1.00 39.08 C ATOM 0 H LEU B 107 61.067 68.315 39.327 1.00 38.86 H new ATOM 0 HA LEU B 107 59.489 66.280 39.778 1.00 39.25 H new ATOM 0 HB2 LEU B 107 61.409 66.503 37.711 1.00 40.41 H new ATOM 0 HB3 LEU B 107 60.307 65.400 37.741 1.00 40.41 H new ATOM 0 HG LEU B 107 59.772 68.149 37.469 1.00 44.94 H new ATOM 0 HD11 LEU B 107 59.140 67.725 35.246 1.00 43.02 H new ATOM 0 HD12 LEU B 107 60.666 67.371 35.478 1.00 43.02 H new ATOM 0 HD13 LEU B 107 59.585 66.215 35.420 1.00 43.02 H new ATOM 0 HD21 LEU B 107 57.528 67.563 37.044 1.00 39.08 H new ATOM 0 HD22 LEU B 107 57.884 66.047 37.332 1.00 39.08 H new ATOM 0 HD23 LEU B 107 57.961 67.115 38.499 1.00 39.08 H new ATOM 1914 N GLN B 108 62.583 65.748 40.369 1.00 39.18 N ATOM 1915 CA GLN B 108 63.531 64.846 41.020 1.00 39.90 C ATOM 1916 C GLN B 108 63.192 64.628 42.504 1.00 38.50 C ATOM 1917 O GLN B 108 63.447 63.557 43.039 1.00 37.21 O ATOM 1918 CB GLN B 108 64.962 65.388 40.879 1.00 36.57 C ATOM 1919 CG GLN B 108 66.075 64.413 41.289 1.00 36.58 C ATOM 1920 CD GLN B 108 66.311 63.288 40.276 1.00 44.86 C ATOM 1921 OE1 GLN B 108 65.403 62.518 39.954 1.00 42.45 O ATOM 1922 NE2 GLN B 108 67.546 63.184 39.783 1.00 42.44 N ATOM 0 H GLN B 108 62.923 66.494 40.110 1.00 39.18 H new ATOM 0 HA GLN B 108 63.466 63.986 40.576 1.00 39.90 H new ATOM 0 HB2 GLN B 108 65.104 65.648 39.955 1.00 36.57 H new ATOM 0 HB3 GLN B 108 65.042 66.192 41.416 1.00 36.57 H new ATOM 0 HG2 GLN B 108 66.900 64.908 41.409 1.00 36.58 H new ATOM 0 HG3 GLN B 108 65.852 64.022 42.148 1.00 36.58 H new ATOM 0 HE21 GLN B 108 68.155 63.738 40.029 1.00 42.44 H new ATOM 0 HE22 GLN B 108 67.733 62.563 39.219 1.00 42.44 H new ATOM 1923 N ALA B 109 62.614 65.637 43.153 1.00 36.13 N ATOM 1924 CA ALA B 109 62.261 65.548 44.573 1.00 38.52 C ATOM 1925 C ALA B 109 60.945 64.816 44.806 1.00 40.13 C ATOM 1926 O ALA B 109 60.551 64.603 45.952 1.00 37.58 O ATOM 1927 CB ALA B 109 62.189 66.926 45.190 1.00 33.42 C ATOM 0 H ALA B 109 62.416 66.389 42.787 1.00 36.13 H new ATOM 0 HA ALA B 109 62.963 65.033 45.000 1.00 38.52 H new ATOM 0 HB1 ALA B 109 61.955 66.849 46.128 1.00 33.42 H new ATOM 0 HB2 ALA B 109 63.051 67.363 45.107 1.00 33.42 H new ATOM 0 HB3 ALA B 109 61.515 67.451 44.731 1.00 33.42 H new ATOM 1928 N GLY B 110 60.269 64.440 43.723 1.00 38.28 N ATOM 1929 CA GLY B 110 59.031 63.691 43.824 1.00 38.80 C ATOM 1930 C GLY B 110 57.771 64.552 43.846 1.00 42.53 C ATOM 1931 O GLY B 110 56.712 64.086 44.254 1.00 42.95 O ATOM 0 H GLY B 110 60.516 64.612 42.918 1.00 38.28 H new ATOM 0 HA2 GLY B 110 58.976 63.076 43.076 1.00 38.80 H new ATOM 0 HA3 GLY B 110 59.056 63.154 44.631 1.00 38.80 H new ATOM 1932 N VAL B 111 57.874 65.804 43.411 1.00 37.35 N ATOM 1933 CA VAL B 111 56.690 66.644 43.267 1.00 38.30 C ATOM 1934 C VAL B 111 55.814 66.138 42.117 1.00 42.49 C ATOM 1935 O VAL B 111 56.305 65.882 41.011 1.00 39.64 O ATOM 1936 CB VAL B 111 57.077 68.100 43.039 1.00 38.86 C ATOM 1937 CG1 VAL B 111 55.841 68.958 42.879 1.00 40.97 C ATOM 1938 CG2 VAL B 111 57.910 68.589 44.205 1.00 37.10 C ATOM 0 H VAL B 111 58.615 66.184 43.195 1.00 37.35 H new ATOM 0 HA VAL B 111 56.182 66.593 44.092 1.00 38.30 H new ATOM 0 HB VAL B 111 57.599 68.166 42.224 1.00 38.86 H new ATOM 0 HG11 VAL B 111 56.104 69.881 42.735 1.00 40.97 H new ATOM 0 HG12 VAL B 111 55.327 68.646 42.118 1.00 40.97 H new ATOM 0 HG13 VAL B 111 55.299 68.898 43.681 1.00 40.97 H new ATOM 0 HG21 VAL B 111 58.157 69.516 44.060 1.00 37.10 H new ATOM 0 HG22 VAL B 111 57.395 68.516 45.024 1.00 37.10 H new ATOM 0 HG23 VAL B 111 58.712 68.049 44.279 1.00 37.10 H new ATOM 1939 N LYS B 112 54.515 66.001 42.385 1.00 44.22 N ATOM 1940 CA LYS B 112 53.614 65.250 41.505 1.00 41.39 C ATOM 1941 C LYS B 112 52.680 66.111 40.676 1.00 42.14 C ATOM 1942 O LYS B 112 52.010 65.612 39.780 1.00 46.02 O ATOM 1943 CB LYS B 112 52.772 64.271 42.326 1.00 43.53 C ATOM 1944 CG LYS B 112 53.579 63.148 42.968 1.00 48.77 C ATOM 1945 CD LYS B 112 54.070 62.148 41.929 1.00 50.57 C ATOM 1946 CE LYS B 112 55.507 61.675 42.220 1.00 55.92 C ATOM 1947 NZ LYS B 112 55.594 60.885 43.461 1.00 51.32 N ATOM 0 H LYS B 112 54.132 66.338 43.077 1.00 44.22 H new ATOM 0 HA LYS B 112 54.196 64.786 40.883 1.00 41.39 H new ATOM 0 HB2 LYS B 112 52.308 64.762 43.022 1.00 43.53 H new ATOM 0 HB3 LYS B 112 52.093 63.882 41.752 1.00 43.53 H new ATOM 0 HG2 LYS B 112 54.338 63.523 43.441 1.00 48.77 H new ATOM 0 HG3 LYS B 112 53.032 62.691 43.626 1.00 48.77 H new ATOM 0 HD2 LYS B 112 53.475 61.382 41.912 1.00 50.57 H new ATOM 0 HD3 LYS B 112 54.036 62.554 41.049 1.00 50.57 H new ATOM 0 HE2 LYS B 112 55.827 61.141 41.476 1.00 55.92 H new ATOM 0 HE3 LYS B 112 56.092 62.446 42.288 1.00 55.92 H new ATOM 0 HZ1 LYS B 112 56.261 61.194 43.964 1.00 51.32 H new ATOM 0 HZ2 LYS B 112 54.829 60.952 43.910 1.00 51.32 H new ATOM 0 HZ3 LYS B 112 55.746 60.031 43.260 1.00 51.32 H new ATOM 1948 N LYS B 113 52.640 67.401 40.969 1.00 42.13 N ATOM 1949 CA LYS B 113 51.717 68.289 40.302 1.00 43.36 C ATOM 1950 C LYS B 113 52.156 69.719 40.519 1.00 44.61 C ATOM 1951 O LYS B 113 52.605 70.077 41.616 1.00 44.54 O ATOM 1952 CB LYS B 113 50.294 68.074 40.825 1.00 44.90 C ATOM 1953 CG LYS B 113 49.261 69.046 40.279 1.00 49.08 C ATOM 1954 CD LYS B 113 47.879 68.743 40.881 1.00 56.37 C ATOM 1955 CE LYS B 113 46.772 69.597 40.262 1.00 55.45 C ATOM 1956 NZ LYS B 113 45.424 69.224 40.798 1.00 50.67 N ATOM 0 H LYS B 113 53.143 67.780 41.555 1.00 42.13 H new ATOM 0 HA LYS B 113 51.717 68.097 39.351 1.00 43.36 H new ATOM 0 HB2 LYS B 113 50.016 67.170 40.608 1.00 44.90 H new ATOM 0 HB3 LYS B 113 50.305 68.143 41.793 1.00 44.90 H new ATOM 0 HG2 LYS B 113 49.521 69.957 40.489 1.00 49.08 H new ATOM 0 HG3 LYS B 113 49.222 68.978 39.312 1.00 49.08 H new ATOM 0 HD2 LYS B 113 47.671 67.805 40.750 1.00 56.37 H new ATOM 0 HD3 LYS B 113 47.905 68.897 41.838 1.00 56.37 H new ATOM 0 HE2 LYS B 113 46.945 70.534 40.443 1.00 55.45 H new ATOM 0 HE3 LYS B 113 46.779 69.489 39.298 1.00 55.45 H new ATOM 0 HZ1 LYS B 113 44.802 69.736 40.420 1.00 50.67 H new ATOM 0 HZ2 LYS B 113 45.257 68.370 40.613 1.00 50.67 H new ATOM 0 HZ3 LYS B 113 45.411 69.344 41.680 1.00 50.67 H new ATOM 1957 N ILE B 114 52.034 70.533 39.475 1.00 43.52 N ATOM 1958 CA ILE B 114 52.401 71.934 39.561 1.00 45.36 C ATOM 1959 C ILE B 114 51.219 72.819 39.185 1.00 48.07 C ATOM 1960 O ILE B 114 50.677 72.716 38.087 1.00 45.92 O ATOM 1961 CB ILE B 114 53.584 72.279 38.641 1.00 46.76 C ATOM 1962 CG1 ILE B 114 54.776 71.351 38.897 1.00 44.55 C ATOM 1963 CG2 ILE B 114 53.973 73.741 38.816 1.00 41.52 C ATOM 1964 CD1 ILE B 114 55.958 71.635 38.000 1.00 42.61 C ATOM 0 H ILE B 114 51.739 70.288 38.705 1.00 43.52 H new ATOM 0 HA ILE B 114 52.665 72.097 40.480 1.00 45.36 H new ATOM 0 HB ILE B 114 53.308 72.143 37.721 1.00 46.76 H new ATOM 0 HG12 ILE B 114 55.052 71.438 39.823 1.00 44.55 H new ATOM 0 HG13 ILE B 114 54.495 70.431 38.770 1.00 44.55 H new ATOM 0 HG21 ILE B 114 54.719 73.950 38.232 1.00 41.52 H new ATOM 0 HG22 ILE B 114 53.218 74.306 38.589 1.00 41.52 H new ATOM 0 HG23 ILE B 114 54.230 73.900 39.738 1.00 41.52 H new ATOM 0 HD11 ILE B 114 56.678 71.019 38.208 1.00 42.61 H new ATOM 0 HD12 ILE B 114 55.695 71.523 37.073 1.00 42.61 H new ATOM 0 HD13 ILE B 114 56.261 72.545 38.142 1.00 42.61 H new ATOM 1965 N THR B 115 50.826 73.690 40.104 1.00 44.00 N ATOM 1966 CA THR B 115 49.769 74.643 39.837 1.00 46.53 C ATOM 1967 C THR B 115 50.346 76.044 39.888 1.00 45.81 C ATOM 1968 O THR B 115 50.957 76.444 40.876 1.00 49.26 O ATOM 1969 CB THR B 115 48.612 74.505 40.843 1.00 46.87 C ATOM 1970 OG1 THR B 115 48.128 73.157 40.818 1.00 46.70 O ATOM 1971 CG2 THR B 115 47.496 75.447 40.478 1.00 46.71 C ATOM 0 H THR B 115 51.163 73.743 40.893 1.00 44.00 H new ATOM 0 HA THR B 115 49.406 74.465 38.955 1.00 46.53 H new ATOM 0 HB THR B 115 48.931 74.725 41.732 1.00 46.87 H new ATOM 0 HG1 THR B 115 47.497 73.075 41.367 1.00 46.70 H new ATOM 0 HG21 THR B 115 46.772 75.354 41.116 1.00 46.71 H new ATOM 0 HG22 THR B 115 47.824 76.360 40.493 1.00 46.71 H new ATOM 0 HG23 THR B 115 47.172 75.236 39.589 1.00 46.71 H new ATOM 1972 N TYR B 116 50.155 76.790 38.814 1.00 51.43 N ATOM 1973 CA TYR B 116 50.804 78.081 38.676 1.00 53.67 C ATOM 1974 C TYR B 116 49.798 79.178 38.355 1.00 52.92 C ATOM 1975 O TYR B 116 48.744 78.917 37.780 1.00 53.09 O ATOM 1976 CB TYR B 116 51.871 78.010 37.582 1.00 50.94 C ATOM 1977 CG TYR B 116 51.299 77.638 36.241 1.00 53.39 C ATOM 1978 CD1 TYR B 116 51.065 76.308 35.908 1.00 55.67 C ATOM 1979 CD2 TYR B 116 50.973 78.617 35.310 1.00 57.09 C ATOM 1980 CE1 TYR B 116 50.531 75.957 34.673 1.00 53.96 C ATOM 1981 CE2 TYR B 116 50.441 78.280 34.075 1.00 59.08 C ATOM 1982 CZ TYR B 116 50.220 76.950 33.761 1.00 59.34 C ATOM 1983 OH TYR B 116 49.692 76.614 32.532 1.00 61.18 O ATOM 0 H TYR B 116 49.653 76.567 38.152 1.00 51.43 H new ATOM 0 HA TYR B 116 51.222 78.301 39.523 1.00 53.67 H new ATOM 0 HB2 TYR B 116 52.317 78.869 37.513 1.00 50.94 H new ATOM 0 HB3 TYR B 116 52.545 77.360 37.834 1.00 50.94 H new ATOM 0 HD1 TYR B 116 51.270 75.641 36.523 1.00 55.67 H new ATOM 0 HD2 TYR B 116 51.114 79.512 35.519 1.00 57.09 H new ATOM 0 HE1 TYR B 116 50.384 75.063 34.462 1.00 53.96 H new ATOM 0 HE2 TYR B 116 50.233 78.945 33.459 1.00 59.08 H new ATOM 0 HH TYR B 116 49.553 77.312 32.086 1.00 61.18 H new ATOM 1984 N ASN B 117 50.124 80.406 38.728 1.00 52.19 N ATOM 1985 CA ASN B 117 49.303 81.530 38.330 1.00 54.88 C ATOM 1986 C ASN B 117 49.700 81.981 36.928 1.00 56.69 C ATOM 1987 O ASN B 117 49.081 81.588 35.947 1.00 60.28 O ATOM 1988 CB ASN B 117 49.413 82.681 39.333 1.00 51.90 C ATOM 1989 CG ASN B 117 48.552 83.882 38.934 1.00 57.59 C ATOM 1990 OD1 ASN B 117 49.017 85.015 38.923 1.00 55.61 O ATOM 1991 ND2 ASN B 117 47.303 83.622 38.575 1.00 59.96 N ATOM 0 H ASN B 117 50.810 80.606 39.207 1.00 52.19 H new ATOM 0 HA ASN B 117 48.374 81.250 38.319 1.00 54.88 H new ATOM 0 HB2 ASN B 117 49.143 82.369 40.211 1.00 51.90 H new ATOM 0 HB3 ASN B 117 50.340 82.959 39.403 1.00 51.90 H new ATOM 0 HD21 ASN B 117 46.786 84.261 38.322 1.00 59.96 H new ATOM 0 HD22 ASN B 117 47.009 82.814 38.595 1.00 59.96 H new ATOM 1992 N THR B 118 50.745 82.789 36.824 1.00 57.02 N ATOM 1993 CA THR B 118 51.203 83.221 35.515 1.00 57.71 C ATOM 1994 C THR B 118 52.258 82.278 34.952 1.00 61.49 C ATOM 1995 O THR B 118 52.879 81.480 35.670 1.00 58.53 O ATOM 1996 CB THR B 118 51.783 84.642 35.557 1.00 57.58 C ATOM 1997 OG1 THR B 118 53.087 84.614 36.153 1.00 59.24 O ATOM 1998 CG2 THR B 118 50.875 85.554 36.369 1.00 53.22 C ATOM 0 H THR B 118 51.197 83.095 37.489 1.00 57.02 H new ATOM 0 HA THR B 118 50.423 83.212 34.938 1.00 57.71 H new ATOM 0 HB THR B 118 51.847 84.982 34.651 1.00 57.58 H new ATOM 0 HG1 THR B 118 53.652 84.376 35.579 1.00 59.24 H new ATOM 0 HG21 THR B 118 51.249 86.449 36.390 1.00 53.22 H new ATOM 0 HG22 THR B 118 49.995 85.582 35.961 1.00 53.22 H new ATOM 0 HG23 THR B 118 50.801 85.214 37.274 1.00 53.22 H new ATOM 1999 N ALA B 119 52.440 82.374 33.646 1.00 61.94 N ATOM 2000 CA ALA B 119 53.487 81.655 32.958 1.00 62.03 C ATOM 2001 C ALA B 119 53.771 82.405 31.682 1.00 74.01 C ATOM 2002 O ALA B 119 52.855 82.916 31.022 1.00 75.13 O ATOM 2003 CB ALA B 119 53.087 80.242 32.672 1.00 59.43 C ATOM 0 H ALA B 119 51.954 82.863 33.132 1.00 61.94 H new ATOM 0 HA ALA B 119 54.281 81.605 33.513 1.00 62.03 H new ATOM 0 HB1 ALA B 119 53.810 79.788 32.211 1.00 59.43 H new ATOM 0 HB2 ALA B 119 52.898 79.784 33.506 1.00 59.43 H new ATOM 0 HB3 ALA B 119 52.294 80.237 32.114 1.00 59.43 H new ATOM 2004 N TYR B 120 55.047 82.492 31.339 1.00 78.39 N ATOM 2005 CA TYR B 120 55.430 83.254 30.170 1.00 84.07 C ATOM 2006 C TYR B 120 55.853 82.269 29.077 1.00 86.59 C ATOM 2007 O TYR B 120 55.022 81.850 28.272 1.00 92.30 O ATOM 2008 CB TYR B 120 56.512 84.263 30.536 1.00 90.63 C ATOM 2009 CG TYR B 120 57.232 84.899 29.373 1.00101.14 C ATOM 2010 CD1 TYR B 120 56.533 85.480 28.304 1.00 97.38 C ATOM 2011 CD2 TYR B 120 58.606 85.038 29.405 1.00104.39 C ATOM 2012 CE1 TYR B 120 57.206 86.107 27.263 1.00100.19 C ATOM 2013 CE2 TYR B 120 59.281 85.654 28.380 1.00107.80 C ATOM 2014 CZ TYR B 120 58.580 86.186 27.310 1.00108.84 C ATOM 2015 OH TYR B 120 59.255 86.791 26.277 1.00109.18 O ATOM 0 H TYR B 120 55.696 82.122 31.764 1.00 78.39 H new ATOM 0 HA TYR B 120 54.688 83.776 29.827 1.00 84.07 H new ATOM 0 HB2 TYR B 120 56.109 84.966 31.069 1.00 90.63 H new ATOM 0 HB3 TYR B 120 57.167 83.821 31.098 1.00 90.63 H new ATOM 0 HD1 TYR B 120 55.604 85.445 28.292 1.00 97.38 H new ATOM 0 HD2 TYR B 120 59.082 84.709 30.133 1.00104.39 H new ATOM 0 HE1 TYR B 120 56.736 86.468 26.546 1.00100.19 H new ATOM 0 HE2 TYR B 120 60.209 85.714 28.404 1.00107.80 H new ATOM 0 HH TYR B 120 60.080 86.772 26.432 1.00109.18 H new ATOM 2016 N ARG B 121 57.100 81.831 29.058 1.00 84.40 N ATOM 2017 CA ARG B 121 57.414 80.731 28.154 1.00 84.76 C ATOM 2018 C ARG B 121 57.842 79.487 28.921 1.00 81.83 C ATOM 2019 O ARG B 121 58.886 79.462 29.586 1.00 78.63 O ATOM 2020 CB ARG B 121 58.489 81.118 27.138 1.00 83.98 C ATOM 2021 CG ARG B 121 59.346 82.289 27.510 1.00 94.62 C ATOM 2022 CD ARG B 121 60.040 82.793 26.253 1.00105.36 C ATOM 2023 NE ARG B 121 61.093 83.768 26.542 1.00111.47 N ATOM 2024 CZ ARG B 121 61.852 84.355 25.618 1.00112.33 C ATOM 2025 NH1 ARG B 121 61.664 84.086 24.330 1.00108.67 N ATOM 2026 NH2 ARG B 121 62.786 85.231 25.982 1.00110.33 N ATOM 0 H ARG B 121 57.751 82.134 29.531 1.00 84.40 H new ATOM 0 HA ARG B 121 56.599 80.529 27.668 1.00 84.76 H new ATOM 0 HB2 ARG B 121 59.064 80.351 26.993 1.00 83.98 H new ATOM 0 HB3 ARG B 121 58.056 81.312 26.292 1.00 83.98 H new ATOM 0 HG2 ARG B 121 58.805 82.992 27.902 1.00 94.62 H new ATOM 0 HG3 ARG B 121 60.001 82.030 28.177 1.00 94.62 H new ATOM 0 HD2 ARG B 121 60.423 82.040 25.776 1.00105.36 H new ATOM 0 HD3 ARG B 121 59.383 83.197 25.665 1.00105.36 H new ATOM 0 HE ARG B 121 61.231 83.976 27.365 1.00111.47 H new ATOM 0 HH11 ARG B 121 61.051 83.532 24.091 1.00108.67 H new ATOM 0 HH12 ARG B 121 62.155 84.466 23.735 1.00108.67 H new ATOM 0 HH21 ARG B 121 62.899 85.418 26.814 1.00110.33 H new ATOM 0 HH22 ARG B 121 63.276 85.610 25.385 1.00110.33 H new ATOM 2027 N ILE B 122 57.014 78.452 28.807 1.00 78.19 N ATOM 2028 CA ILE B 122 57.337 77.148 29.346 1.00 69.05 C ATOM 2029 C ILE B 122 58.345 76.473 28.432 1.00 71.80 C ATOM 2030 O ILE B 122 58.102 76.327 27.230 1.00 68.48 O ATOM 2031 CB ILE B 122 56.109 76.223 29.461 1.00 70.79 C ATOM 2032 CG1 ILE B 122 54.896 76.930 30.082 1.00 69.01 C ATOM 2033 CG2 ILE B 122 56.474 74.953 30.221 1.00 67.12 C ATOM 2034 CD1 ILE B 122 55.171 77.676 31.329 1.00 64.88 C ATOM 0 H ILE B 122 56.250 78.492 28.414 1.00 78.19 H new ATOM 0 HA ILE B 122 57.690 77.290 30.238 1.00 69.05 H new ATOM 0 HB ILE B 122 55.842 75.976 28.562 1.00 70.79 H new ATOM 0 HG12 ILE B 122 54.529 77.546 29.428 1.00 69.01 H new ATOM 0 HG13 ILE B 122 54.211 76.267 30.263 1.00 69.01 H new ATOM 0 HG21 ILE B 122 55.694 74.380 30.287 1.00 67.12 H new ATOM 0 HG22 ILE B 122 57.180 74.485 29.749 1.00 67.12 H new ATOM 0 HG23 ILE B 122 56.780 75.185 31.112 1.00 67.12 H new ATOM 0 HD11 ILE B 122 54.352 78.087 31.647 1.00 64.88 H new ATOM 0 HD12 ILE B 122 55.509 77.066 32.003 1.00 64.88 H new ATOM 0 HD13 ILE B 122 55.832 78.364 31.155 1.00 64.88 H new ATOM 2035 N HIS B 123 59.469 76.064 29.007 1.00 71.98 N ATOM 2036 CA HIS B 123 60.481 75.298 28.288 1.00 70.49 C ATOM 2037 C HIS B 123 59.893 73.999 27.735 1.00 67.53 C ATOM 2038 O HIS B 123 59.242 73.247 28.469 1.00 65.13 O ATOM 2039 CB HIS B 123 61.656 74.995 29.216 1.00 67.64 C ATOM 2040 CG HIS B 123 62.965 74.843 28.507 1.00 73.01 C ATOM 2041 ND1 HIS B 123 63.233 73.794 27.657 1.00 85.28 N ATOM 2042 CD2 HIS B 123 64.087 75.599 28.541 1.00 78.38 C ATOM 2043 CE1 HIS B 123 64.462 73.915 27.189 1.00 83.90 C ATOM 2044 NE2 HIS B 123 65.002 75.000 27.712 1.00 85.22 N ATOM 0 H HIS B 123 59.668 76.223 29.828 1.00 71.98 H new ATOM 0 HA HIS B 123 60.795 75.828 27.539 1.00 70.49 H new ATOM 0 HB2 HIS B 123 61.733 75.708 29.869 1.00 67.64 H new ATOM 0 HB3 HIS B 123 61.467 74.180 29.707 1.00 67.64 H new ATOM 0 HD2 HIS B 123 64.214 76.378 29.033 1.00 78.38 H new ATOM 0 HE1 HIS B 123 64.877 73.334 26.592 1.00 83.90 H new ATOM 0 HE2 HIS B 123 65.799 75.285 27.558 1.00 85.22 H new ATOM 2045 N PRO B 124 60.112 73.734 26.435 1.00 65.33 N ATOM 2046 CA PRO B 124 59.599 72.491 25.843 1.00 60.29 C ATOM 2047 C PRO B 124 60.191 71.273 26.536 1.00 58.81 C ATOM 2048 O PRO B 124 59.534 70.237 26.633 1.00 59.28 O ATOM 2049 CB PRO B 124 60.068 72.560 24.384 1.00 61.46 C ATOM 2050 CG PRO B 124 60.433 73.996 24.148 1.00 63.28 C ATOM 2051 CD PRO B 124 60.888 74.535 25.473 1.00 65.26 C ATOM 0 HA PRO B 124 58.636 72.408 25.928 1.00 60.29 H new ATOM 0 HB2 PRO B 124 60.829 71.977 24.234 1.00 61.46 H new ATOM 0 HB3 PRO B 124 59.367 72.274 23.778 1.00 61.46 H new ATOM 0 HG2 PRO B 124 61.136 74.070 23.484 1.00 63.28 H new ATOM 0 HG3 PRO B 124 59.672 74.496 23.813 1.00 63.28 H new ATOM 0 HD2 PRO B 124 61.843 74.422 25.599 1.00 65.26 H new ATOM 0 HD3 PRO B 124 60.700 75.483 25.560 1.00 65.26 H new ATOM 2052 N PHE B 125 61.430 71.404 27.006 1.00 56.46 N ATOM 2053 CA PHE B 125 62.089 70.309 27.705 1.00 57.10 C ATOM 2054 C PHE B 125 61.416 70.065 29.055 1.00 52.92 C ATOM 2055 O PHE B 125 61.264 68.920 29.479 1.00 54.07 O ATOM 2056 CB PHE B 125 63.579 70.594 27.883 1.00 55.32 C ATOM 2057 CG PHE B 125 64.336 69.458 28.493 1.00 55.42 C ATOM 2058 CD1 PHE B 125 64.141 68.162 28.045 1.00 54.18 C ATOM 2059 CD2 PHE B 125 65.245 69.680 29.516 1.00 53.66 C ATOM 2060 CE1 PHE B 125 64.829 67.105 28.611 1.00 53.84 C ATOM 2061 CE2 PHE B 125 65.941 68.633 30.081 1.00 51.68 C ATOM 2062 CZ PHE B 125 65.730 67.337 29.633 1.00 53.16 C ATOM 0 H PHE B 125 61.903 72.118 26.930 1.00 56.46 H new ATOM 0 HA PHE B 125 62.004 69.506 27.168 1.00 57.10 H new ATOM 0 HB2 PHE B 125 63.966 70.804 27.019 1.00 55.32 H new ATOM 0 HB3 PHE B 125 63.686 71.381 28.440 1.00 55.32 H new ATOM 0 HD1 PHE B 125 63.539 68.001 27.354 1.00 54.18 H new ATOM 0 HD2 PHE B 125 65.387 70.546 29.825 1.00 53.66 H new ATOM 0 HE1 PHE B 125 64.686 66.239 28.304 1.00 53.84 H new ATOM 0 HE2 PHE B 125 66.552 68.795 30.763 1.00 51.68 H new ATOM 0 HZ PHE B 125 66.192 66.628 30.018 1.00 53.16 H new ATOM 2063 N ALA B 126 60.996 71.144 29.713 1.00 52.70 N ATOM 2064 CA ALA B 126 60.164 71.047 30.915 1.00 51.87 C ATOM 2065 C ALA B 126 58.856 70.291 30.621 1.00 53.85 C ATOM 2066 O ALA B 126 58.399 69.466 31.426 1.00 49.79 O ATOM 2067 CB ALA B 126 59.873 72.439 31.474 1.00 45.52 C ATOM 0 H ALA B 126 61.183 71.950 29.478 1.00 52.70 H new ATOM 0 HA ALA B 126 60.654 70.543 31.584 1.00 51.87 H new ATOM 0 HB1 ALA B 126 59.322 72.360 32.268 1.00 45.52 H new ATOM 0 HB2 ALA B 126 60.708 72.877 31.702 1.00 45.52 H new ATOM 0 HB3 ALA B 126 59.404 72.964 30.807 1.00 45.52 H new ATOM 2068 N ILE B 127 58.267 70.545 29.456 1.00 55.13 N ATOM 2069 CA ILE B 127 57.047 69.839 29.082 1.00 52.64 C ATOM 2070 C ILE B 127 57.335 68.374 28.779 1.00 51.88 C ATOM 2071 O ILE B 127 56.558 67.491 29.147 1.00 54.31 O ATOM 2072 CB ILE B 127 56.362 70.516 27.885 1.00 59.20 C ATOM 2073 CG1 ILE B 127 55.920 71.932 28.286 1.00 61.59 C ATOM 2074 CG2 ILE B 127 55.172 69.698 27.418 1.00 52.66 C ATOM 2075 CD1 ILE B 127 55.690 72.863 27.126 1.00 60.47 C ATOM 0 H ILE B 127 58.552 71.113 28.877 1.00 55.13 H new ATOM 0 HA ILE B 127 56.440 69.878 29.838 1.00 52.64 H new ATOM 0 HB ILE B 127 56.991 70.574 27.149 1.00 59.20 H new ATOM 0 HG12 ILE B 127 55.102 71.869 28.803 1.00 61.59 H new ATOM 0 HG13 ILE B 127 56.594 72.317 28.867 1.00 61.59 H new ATOM 0 HG21 ILE B 127 54.752 70.139 26.663 1.00 52.66 H new ATOM 0 HG22 ILE B 127 55.471 68.815 27.150 1.00 52.66 H new ATOM 0 HG23 ILE B 127 54.531 69.616 28.142 1.00 52.66 H new ATOM 0 HD11 ILE B 127 55.415 73.732 27.458 1.00 60.47 H new ATOM 0 HD12 ILE B 127 56.511 72.956 26.618 1.00 60.47 H new ATOM 0 HD13 ILE B 127 54.995 72.502 26.553 1.00 60.47 H new ATOM 2076 N GLU B 128 58.466 68.103 28.139 1.00 54.56 N ATOM 2077 CA GLU B 128 58.852 66.719 27.876 1.00 54.82 C ATOM 2078 C GLU B 128 59.064 65.961 29.192 1.00 52.27 C ATOM 2079 O GLU B 128 58.627 64.819 29.340 1.00 55.81 O ATOM 2080 CB GLU B 128 60.121 66.660 27.014 1.00 55.78 C ATOM 2081 CG GLU B 128 60.692 65.248 26.825 1.00 64.81 C ATOM 2082 CD GLU B 128 62.074 65.247 26.168 1.00 73.23 C ATOM 2083 OE1 GLU B 128 62.278 66.050 25.225 1.00 70.57 O ATOM 2084 OE2 GLU B 128 62.956 64.455 26.601 1.00 76.16 O ATOM 0 H GLU B 128 59.019 68.696 27.851 1.00 54.56 H new ATOM 0 HA GLU B 128 58.132 66.293 27.386 1.00 54.82 H new ATOM 0 HB2 GLU B 128 59.925 67.037 26.142 1.00 55.78 H new ATOM 0 HB3 GLU B 128 60.801 67.221 27.419 1.00 55.78 H new ATOM 0 HG2 GLU B 128 60.749 64.809 27.688 1.00 64.81 H new ATOM 0 HG3 GLU B 128 60.080 64.727 26.282 1.00 64.81 H new ATOM 2085 N LEU B 129 59.740 66.605 30.141 1.00 49.28 N ATOM 2086 CA LEU B 129 60.035 65.974 31.425 1.00 50.62 C ATOM 2087 C LEU B 129 58.736 65.706 32.184 1.00 48.06 C ATOM 2088 O LEU B 129 58.565 64.630 32.756 1.00 45.88 O ATOM 2089 CB LEU B 129 60.980 66.844 32.265 1.00 42.46 C ATOM 2090 CG LEU B 129 62.449 66.963 31.828 1.00 48.54 C ATOM 2091 CD1 LEU B 129 63.168 68.019 32.659 1.00 45.03 C ATOM 2092 CD2 LEU B 129 63.182 65.615 31.902 1.00 45.95 C ATOM 0 H LEU B 129 60.037 67.408 30.061 1.00 49.28 H new ATOM 0 HA LEU B 129 60.482 65.130 31.256 1.00 50.62 H new ATOM 0 HB2 LEU B 129 60.608 67.739 32.296 1.00 42.46 H new ATOM 0 HB3 LEU B 129 60.969 66.501 33.172 1.00 42.46 H new ATOM 0 HG LEU B 129 62.456 67.240 30.899 1.00 48.54 H new ATOM 0 HD11 LEU B 129 64.092 68.083 32.372 1.00 45.03 H new ATOM 0 HD12 LEU B 129 62.733 68.877 32.539 1.00 45.03 H new ATOM 0 HD13 LEU B 129 63.137 67.770 33.596 1.00 45.03 H new ATOM 0 HD21 LEU B 129 64.103 65.731 31.619 1.00 45.95 H new ATOM 0 HD22 LEU B 129 63.163 65.286 32.814 1.00 45.95 H new ATOM 0 HD23 LEU B 129 62.744 64.976 31.319 1.00 45.95 H new ATOM 2093 N MET B 130 57.823 66.678 32.174 1.00 47.32 N ATOM 2094 CA MET B 130 56.557 66.540 32.891 1.00 48.15 C ATOM 2095 C MET B 130 55.717 65.431 32.285 1.00 51.48 C ATOM 2096 O MET B 130 55.041 64.690 33.006 1.00 51.68 O ATOM 2097 CB MET B 130 55.796 67.865 32.916 1.00 46.07 C ATOM 2098 CG MET B 130 56.406 68.850 33.921 1.00 49.10 C ATOM 2099 SD MET B 130 55.519 70.403 34.115 1.00 53.74 S ATOM 2100 CE MET B 130 55.466 70.932 32.396 1.00 57.77 C ATOM 0 H MET B 130 57.918 67.425 31.758 1.00 47.32 H new ATOM 0 HA MET B 130 56.752 66.297 33.810 1.00 48.15 H new ATOM 0 HB2 MET B 130 55.804 68.260 32.030 1.00 46.07 H new ATOM 0 HB3 MET B 130 54.868 67.701 33.145 1.00 46.07 H new ATOM 0 HG2 MET B 130 56.458 68.415 34.786 1.00 49.10 H new ATOM 0 HG3 MET B 130 57.315 69.047 33.647 1.00 49.10 H new ATOM 0 HE1 MET B 130 55.104 71.830 32.345 1.00 57.77 H new ATOM 0 HE2 MET B 130 56.363 70.924 32.027 1.00 57.77 H new ATOM 0 HE3 MET B 130 54.902 70.327 31.888 1.00 57.77 H new ATOM 2101 N THR B 131 55.809 65.269 30.971 1.00 50.03 N ATOM 2102 CA THR B 131 55.063 64.207 30.312 1.00 52.04 C ATOM 2103 C THR B 131 55.600 62.847 30.735 1.00 55.06 C ATOM 2104 O THR B 131 54.837 61.975 31.141 1.00 56.39 O ATOM 2105 CB THR B 131 55.131 64.329 28.784 1.00 55.34 C ATOM 2106 OG1 THR B 131 54.481 65.541 28.369 1.00 50.78 O ATOM 2107 CG2 THR B 131 54.467 63.119 28.133 1.00 46.20 C ATOM 0 H THR B 131 56.290 65.755 30.450 1.00 50.03 H new ATOM 0 HA THR B 131 54.135 64.293 30.582 1.00 52.04 H new ATOM 0 HB THR B 131 56.059 64.358 28.505 1.00 55.34 H new ATOM 0 HG1 THR B 131 54.983 66.196 28.526 1.00 50.78 H new ATOM 0 HG21 THR B 131 54.514 63.204 27.168 1.00 46.20 H new ATOM 0 HG22 THR B 131 54.926 62.310 28.409 1.00 46.20 H new ATOM 0 HG23 THR B 131 53.538 63.073 28.408 1.00 46.20 H new ATOM 2108 N GLN B 132 56.918 62.678 30.653 1.00 52.25 N ATOM 2109 CA GLN B 132 57.561 61.433 31.065 1.00 52.89 C ATOM 2110 C GLN B 132 57.329 61.065 32.542 1.00 55.70 C ATOM 2111 O GLN B 132 57.230 59.882 32.880 1.00 54.01 O ATOM 2112 CB GLN B 132 59.069 61.504 30.805 1.00 57.39 C ATOM 2113 CG GLN B 132 59.489 61.642 29.345 1.00 62.16 C ATOM 2114 CD GLN B 132 60.965 61.284 29.136 1.00 68.15 C ATOM 2115 OE1 GLN B 132 61.807 62.155 28.885 1.00 69.65 O ATOM 2116 NE2 GLN B 132 61.281 59.995 29.255 1.00 66.29 N ATOM 0 H GLN B 132 57.461 63.277 30.359 1.00 52.25 H new ATOM 0 HA GLN B 132 57.146 60.738 30.530 1.00 52.89 H new ATOM 0 HB2 GLN B 132 59.430 62.257 31.299 1.00 57.39 H new ATOM 0 HB3 GLN B 132 59.480 60.703 31.167 1.00 57.39 H new ATOM 0 HG2 GLN B 132 58.936 61.066 28.794 1.00 62.16 H new ATOM 0 HG3 GLN B 132 59.333 62.552 29.049 1.00 62.16 H new ATOM 0 HE21 GLN B 132 60.669 59.417 29.430 1.00 66.29 H new ATOM 0 HE22 GLN B 132 62.097 59.741 29.157 1.00 66.29 H new ATOM 2117 N LYS B 133 57.270 62.061 33.428 1.00 53.45 N ATOM 2118 CA LYS B 133 57.071 61.781 34.853 1.00 54.93 C ATOM 2119 C LYS B 133 55.572 61.715 35.205 1.00 56.40 C ATOM 2120 O LYS B 133 55.214 61.498 36.369 1.00 51.01 O ATOM 2121 CB LYS B 133 57.774 62.837 35.737 1.00 46.46 C ATOM 2122 CG LYS B 133 59.303 62.787 35.752 1.00 44.67 C ATOM 2123 CD LYS B 133 59.834 61.522 36.436 1.00 46.22 C ATOM 2124 CE LYS B 133 59.812 61.647 37.951 1.00 43.12 C ATOM 2125 NZ LYS B 133 60.371 60.445 38.599 1.00 45.12 N ATOM 0 H LYS B 133 57.342 62.895 33.229 1.00 53.45 H new ATOM 0 HA LYS B 133 57.469 60.915 35.032 1.00 54.93 H new ATOM 0 HB2 LYS B 133 57.500 63.718 35.438 1.00 46.46 H new ATOM 0 HB3 LYS B 133 57.456 62.735 36.648 1.00 46.46 H new ATOM 0 HG2 LYS B 133 59.635 62.824 34.841 1.00 44.67 H new ATOM 0 HG3 LYS B 133 59.646 63.569 36.211 1.00 44.67 H new ATOM 0 HD2 LYS B 133 59.298 60.760 36.167 1.00 46.22 H new ATOM 0 HD3 LYS B 133 60.741 61.350 36.139 1.00 46.22 H new ATOM 0 HE2 LYS B 133 60.321 62.428 38.220 1.00 43.12 H new ATOM 0 HE3 LYS B 133 58.900 61.785 38.253 1.00 43.12 H new ATOM 0 HZ1 LYS B 133 60.602 60.639 39.436 1.00 45.12 H new ATOM 0 HZ2 LYS B 133 59.760 59.798 38.603 1.00 45.12 H new ATOM 0 HZ3 LYS B 133 61.089 60.172 38.149 1.00 45.12 H new ATOM 2126 N GLU B 134 54.711 61.900 34.200 1.00 54.31 N ATOM 2127 CA GLU B 134 53.255 61.880 34.392 1.00 57.26 C ATOM 2128 C GLU B 134 52.823 62.928 35.431 1.00 56.92 C ATOM 2129 O GLU B 134 51.993 62.672 36.311 1.00 55.26 O ATOM 2130 CB GLU B 134 52.776 60.480 34.801 1.00 54.68 C ATOM 2131 CG GLU B 134 53.098 59.395 33.777 1.00 61.21 C ATOM 2132 CD GLU B 134 52.504 58.039 34.143 1.00 75.61 C ATOM 2133 OE1 GLU B 134 51.451 58.005 34.815 1.00 80.78 O ATOM 2134 OE2 GLU B 134 53.086 57.001 33.758 1.00 84.79 O ATOM 0 H GLU B 134 54.954 62.041 33.387 1.00 54.31 H new ATOM 0 HA GLU B 134 52.839 62.106 33.545 1.00 57.26 H new ATOM 0 HB2 GLU B 134 53.183 60.243 35.649 1.00 54.68 H new ATOM 0 HB3 GLU B 134 51.817 60.504 34.943 1.00 54.68 H new ATOM 0 HG2 GLU B 134 52.762 59.666 32.908 1.00 61.21 H new ATOM 0 HG3 GLU B 134 54.061 59.310 33.695 1.00 61.21 H new ATOM 2135 N VAL B 135 53.405 64.112 35.301 1.00 55.75 N ATOM 2136 CA VAL B 135 53.158 65.218 36.207 1.00 52.88 C ATOM 2137 C VAL B 135 52.357 66.268 35.475 1.00 53.51 C ATOM 2138 O VAL B 135 52.779 66.747 34.425 1.00 56.87 O ATOM 2139 CB VAL B 135 54.492 65.822 36.744 1.00 50.48 C ATOM 2140 CG1 VAL B 135 54.304 67.259 37.242 1.00 43.12 C ATOM 2141 CG2 VAL B 135 55.068 64.926 37.844 1.00 46.59 C ATOM 0 H VAL B 135 53.963 64.296 34.673 1.00 55.75 H new ATOM 0 HA VAL B 135 52.661 64.896 36.975 1.00 52.88 H new ATOM 0 HB VAL B 135 55.124 65.858 36.009 1.00 50.48 H new ATOM 0 HG11 VAL B 135 55.151 67.602 37.568 1.00 43.12 H new ATOM 0 HG12 VAL B 135 53.989 67.816 36.513 1.00 43.12 H new ATOM 0 HG13 VAL B 135 53.653 67.270 37.961 1.00 43.12 H new ATOM 0 HG21 VAL B 135 55.897 65.308 38.172 1.00 46.59 H new ATOM 0 HG22 VAL B 135 54.432 64.859 38.573 1.00 46.59 H new ATOM 0 HG23 VAL B 135 55.241 64.042 37.484 1.00 46.59 H new ATOM 2142 N GLU B 136 51.196 66.615 36.018 1.00 51.16 N ATOM 2143 CA GLU B 136 50.348 67.602 35.376 1.00 58.75 C ATOM 2144 C GLU B 136 50.696 69.000 35.847 1.00 56.26 C ATOM 2145 O GLU B 136 51.108 69.205 36.996 1.00 53.60 O ATOM 2146 CB GLU B 136 48.867 67.308 35.639 1.00 62.59 C ATOM 2147 CG GLU B 136 48.482 67.305 37.108 1.00 72.79 C ATOM 2148 CD GLU B 136 47.011 66.936 37.332 1.00 82.81 C ATOM 2149 OE1 GLU B 136 46.223 67.030 36.360 1.00 75.60 O ATOM 2150 OE2 GLU B 136 46.650 66.553 38.475 1.00 84.86 O ATOM 0 H GLU B 136 50.885 66.292 36.752 1.00 51.16 H new ATOM 0 HA GLU B 136 50.505 67.550 34.420 1.00 58.75 H new ATOM 0 HB2 GLU B 136 48.330 67.970 35.176 1.00 62.59 H new ATOM 0 HB3 GLU B 136 48.646 66.445 35.256 1.00 62.59 H new ATOM 0 HG2 GLU B 136 49.046 66.676 37.585 1.00 72.79 H new ATOM 0 HG3 GLU B 136 48.653 68.182 37.485 1.00 72.79 H new ATOM 2151 N TYR B 137 50.550 69.954 34.938 1.00 54.64 N ATOM 2152 CA TYR B 137 50.696 71.364 35.268 1.00 55.53 C ATOM 2153 C TYR B 137 49.421 72.088 34.869 1.00 54.02 C ATOM 2154 O TYR B 137 48.914 71.905 33.768 1.00 54.90 O ATOM 2155 CB TYR B 137 51.920 71.989 34.584 1.00 55.71 C ATOM 2156 CG TYR B 137 51.959 71.904 33.062 1.00 59.06 C ATOM 2157 CD1 TYR B 137 52.031 70.671 32.417 1.00 55.91 C ATOM 2158 CD2 TYR B 137 51.968 73.063 32.274 1.00 55.97 C ATOM 2159 CE1 TYR B 137 52.089 70.581 31.041 1.00 61.46 C ATOM 2160 CE2 TYR B 137 52.032 72.985 30.882 1.00 59.31 C ATOM 2161 CZ TYR B 137 52.093 71.735 30.275 1.00 65.36 C ATOM 2162 OH TYR B 137 52.151 71.618 28.903 1.00 67.77 O ATOM 0 H TYR B 137 50.363 69.802 34.112 1.00 54.64 H new ATOM 0 HA TYR B 137 50.841 71.451 36.223 1.00 55.53 H new ATOM 0 HB2 TYR B 137 51.967 72.924 34.838 1.00 55.71 H new ATOM 0 HB3 TYR B 137 52.717 71.560 34.934 1.00 55.71 H new ATOM 0 HD1 TYR B 137 52.040 69.892 32.925 1.00 55.91 H new ATOM 0 HD2 TYR B 137 51.931 73.897 32.685 1.00 55.97 H new ATOM 0 HE1 TYR B 137 52.125 69.748 30.629 1.00 61.46 H new ATOM 0 HE2 TYR B 137 52.034 73.759 30.367 1.00 59.31 H new ATOM 0 HH TYR B 137 52.146 72.383 28.556 1.00 67.77 H new ATOM 2163 N VAL B 138 48.906 72.906 35.774 1.00 53.48 N ATOM 2164 CA VAL B 138 47.604 73.500 35.584 1.00 54.00 C ATOM 2165 C VAL B 138 47.599 74.920 36.111 1.00 51.55 C ATOM 2166 O VAL B 138 48.062 75.181 37.216 1.00 51.31 O ATOM 2167 CB VAL B 138 46.502 72.654 36.272 1.00 54.65 C ATOM 2168 CG1 VAL B 138 46.875 72.349 37.700 1.00 56.95 C ATOM 2169 CG2 VAL B 138 45.173 73.365 36.215 1.00 60.62 C ATOM 0 H VAL B 138 49.299 73.128 36.506 1.00 53.48 H new ATOM 0 HA VAL B 138 47.411 73.520 34.634 1.00 54.00 H new ATOM 0 HB VAL B 138 46.422 71.815 35.792 1.00 54.65 H new ATOM 0 HG11 VAL B 138 46.174 71.820 38.112 1.00 56.95 H new ATOM 0 HG12 VAL B 138 47.708 71.852 37.718 1.00 56.95 H new ATOM 0 HG13 VAL B 138 46.984 73.179 38.191 1.00 56.95 H new ATOM 0 HG21 VAL B 138 44.497 72.822 36.649 1.00 60.62 H new ATOM 0 HG22 VAL B 138 45.243 74.219 36.670 1.00 60.62 H new ATOM 0 HG23 VAL B 138 44.924 73.512 35.289 1.00 60.62 H new ATOM 2170 N GLN B 139 47.102 75.840 35.287 1.00 55.41 N ATOM 2171 CA GLN B 139 46.948 77.234 35.674 1.00 52.92 C ATOM 2172 C GLN B 139 45.778 77.379 36.642 1.00 57.18 C ATOM 2173 O GLN B 139 44.790 76.659 36.547 1.00 61.77 O ATOM 2174 CB GLN B 139 46.743 78.111 34.433 1.00 54.78 C ATOM 2175 CG GLN B 139 46.902 79.629 34.648 1.00 56.26 C ATOM 2176 CD GLN B 139 45.658 80.295 35.233 1.00 57.44 C ATOM 2177 OE1 GLN B 139 44.543 79.830 35.029 1.00 60.13 O ATOM 2178 NE2 GLN B 139 45.850 81.389 35.957 1.00 58.07 N ATOM 0 H GLN B 139 46.844 75.669 34.485 1.00 55.41 H new ATOM 0 HA GLN B 139 47.756 77.530 36.122 1.00 52.92 H new ATOM 0 HB2 GLN B 139 47.374 77.830 33.752 1.00 54.78 H new ATOM 0 HB3 GLN B 139 45.854 77.943 34.083 1.00 54.78 H new ATOM 0 HG2 GLN B 139 47.654 79.788 35.240 1.00 56.26 H new ATOM 0 HG3 GLN B 139 47.116 80.048 33.800 1.00 56.26 H new ATOM 0 HE21 GLN B 139 46.647 81.689 36.081 1.00 58.07 H new ATOM 0 HE22 GLN B 139 45.178 81.799 36.303 1.00 58.07 H new ATOM 2179 N HIS B 140 45.913 78.294 37.594 1.00 56.83 N ATOM 2180 CA HIS B 140 44.823 78.660 38.482 1.00 56.13 C ATOM 2181 C HIS B 140 45.107 80.079 38.950 1.00 62.12 C ATOM 2182 O HIS B 140 46.258 80.414 39.230 1.00 63.10 O ATOM 2183 CB HIS B 140 44.709 77.685 39.656 1.00 60.37 C ATOM 2184 CG HIS B 140 43.550 77.951 40.574 1.00 61.55 C ATOM 2185 ND1 HIS B 140 42.361 77.256 40.493 1.00 64.46 N ATOM 2186 CD2 HIS B 140 43.414 78.803 41.619 1.00 63.20 C ATOM 2187 CE1 HIS B 140 41.536 77.686 41.432 1.00 61.22 C ATOM 2188 NE2 HIS B 140 42.150 78.623 42.130 1.00 59.29 N ATOM 0 H HIS B 140 46.644 78.721 37.742 1.00 56.83 H new ATOM 0 HA HIS B 140 43.969 78.617 38.023 1.00 56.13 H new ATOM 0 HB2 HIS B 140 44.631 76.783 39.307 1.00 60.37 H new ATOM 0 HB3 HIS B 140 45.530 77.719 40.171 1.00 60.37 H new ATOM 0 HD2 HIS B 140 44.056 79.399 41.932 1.00 63.20 H new ATOM 0 HE1 HIS B 140 40.670 77.380 41.576 1.00 61.22 H new ATOM 0 HE2 HIS B 140 41.814 79.051 42.796 1.00 59.29 H new ATOM 2189 N ASP B 141 44.079 80.920 39.000 1.00 59.86 N ATOM 2190 CA ASP B 141 44.266 82.318 39.377 1.00 61.49 C ATOM 2191 C ASP B 141 44.413 82.459 40.877 1.00 60.55 C ATOM 2192 O ASP B 141 43.967 81.604 41.643 1.00 59.64 O ATOM 2193 CB ASP B 141 43.093 83.192 38.917 1.00 61.28 C ATOM 2194 CG ASP B 141 42.940 83.226 37.419 1.00 66.11 C ATOM 2195 OD1 ASP B 141 43.967 83.341 36.713 1.00 64.89 O ATOM 2196 OD2 ASP B 141 41.781 83.147 36.955 1.00 70.15 O ATOM 0 H ASP B 141 43.267 80.702 38.820 1.00 59.86 H new ATOM 0 HA ASP B 141 45.076 82.618 38.936 1.00 61.49 H new ATOM 0 HB2 ASP B 141 42.273 82.860 39.314 1.00 61.28 H new ATOM 0 HB3 ASP B 141 43.221 84.096 39.245 1.00 61.28 H new ATOM 2197 N VAL B 142 45.029 83.557 41.292 1.00 56.86 N ATOM 2198 CA VAL B 142 45.032 83.921 42.691 1.00 56.27 C ATOM 2199 C VAL B 142 43.636 84.440 43.028 1.00 57.32 C ATOM 2200 O VAL B 142 43.114 85.300 42.331 1.00 62.29 O ATOM 2201 CB VAL B 142 46.115 84.988 43.003 1.00 55.99 C ATOM 2202 CG1 VAL B 142 46.027 85.459 44.448 1.00 56.04 C ATOM 2203 CG2 VAL B 142 47.498 84.439 42.708 1.00 58.72 C ATOM 0 H VAL B 142 45.450 84.102 40.777 1.00 56.86 H new ATOM 0 HA VAL B 142 45.250 83.148 43.235 1.00 56.27 H new ATOM 0 HB VAL B 142 45.953 85.754 42.430 1.00 55.99 H new ATOM 0 HG11 VAL B 142 46.714 86.124 44.614 1.00 56.04 H new ATOM 0 HG12 VAL B 142 45.154 85.850 44.609 1.00 56.04 H new ATOM 0 HG13 VAL B 142 46.157 84.704 45.043 1.00 56.04 H new ATOM 0 HG21 VAL B 142 48.164 85.115 42.907 1.00 58.72 H new ATOM 0 HG22 VAL B 142 47.659 83.656 43.257 1.00 58.72 H new ATOM 0 HG23 VAL B 142 47.556 84.195 41.771 1.00 58.72 H new ATOM 2204 N PRO B 143 43.022 83.905 44.091 1.00 59.18 N ATOM 2205 CA PRO B 143 41.703 84.370 44.519 1.00 59.13 C ATOM 2206 C PRO B 143 41.750 85.829 44.931 1.00 63.72 C ATOM 2207 O PRO B 143 42.787 86.289 45.410 1.00 62.85 O ATOM 2208 CB PRO B 143 41.400 83.488 45.733 1.00 58.85 C ATOM 2209 CG PRO B 143 42.777 83.198 46.303 1.00 56.16 C ATOM 2210 CD PRO B 143 43.613 82.974 45.070 1.00 57.16 C ATOM 0 HA PRO B 143 41.036 84.308 43.818 1.00 59.13 H new ATOM 0 HB2 PRO B 143 40.835 83.945 46.376 1.00 58.85 H new ATOM 0 HB3 PRO B 143 40.939 82.674 45.478 1.00 58.85 H new ATOM 0 HG2 PRO B 143 43.110 83.939 46.833 1.00 56.16 H new ATOM 0 HG3 PRO B 143 42.770 82.418 46.879 1.00 56.16 H new ATOM 0 HD2 PRO B 143 44.549 83.170 45.231 1.00 57.16 H new ATOM 0 HD3 PRO B 143 43.564 82.054 44.765 1.00 57.16 H new ATOM 2211 N ARG B 144 40.644 86.542 44.748 1.00 66.41 N ATOM 2212 CA ARG B 144 40.525 87.914 45.226 1.00 66.00 C ATOM 2213 C ARG B 144 40.154 87.842 46.695 1.00 65.28 C ATOM 2214 O ARG B 144 39.052 87.421 47.036 1.00 69.25 O ATOM 2215 CB ARG B 144 39.471 88.689 44.425 1.00 68.18 C ATOM 2216 CG ARG B 144 39.788 88.806 42.929 1.00 80.56 C ATOM 2217 CD ARG B 144 40.882 89.840 42.594 1.00 90.99 C ATOM 2218 NE ARG B 144 41.269 89.752 41.184 1.00101.78 N ATOM 2219 CZ ARG B 144 42.247 90.460 40.621 1.00102.18 C ATOM 2220 NH1 ARG B 144 42.902 91.363 41.332 1.00 97.57 N ATOM 2221 NH2 ARG B 144 42.552 90.292 39.336 1.00101.16 N ATOM 0 H ARG B 144 39.944 86.246 44.345 1.00 66.41 H new ATOM 0 HA ARG B 144 41.362 88.390 45.109 1.00 66.00 H new ATOM 0 HB2 ARG B 144 38.611 88.252 44.531 1.00 68.18 H new ATOM 0 HB3 ARG B 144 39.384 89.580 44.799 1.00 68.18 H new ATOM 0 HG2 ARG B 144 40.066 87.937 42.599 1.00 80.56 H new ATOM 0 HG3 ARG B 144 38.976 89.044 42.454 1.00 80.56 H new ATOM 0 HD2 ARG B 144 40.559 90.733 42.790 1.00 90.99 H new ATOM 0 HD3 ARG B 144 41.658 89.690 43.156 1.00 90.99 H new ATOM 0 HE ARG B 144 40.834 89.204 40.684 1.00101.78 H new ATOM 0 HH11 ARG B 144 42.696 91.493 42.157 1.00 97.57 H new ATOM 0 HH12 ARG B 144 43.533 91.820 40.969 1.00 97.57 H new ATOM 0 HH21 ARG B 144 42.116 89.722 38.862 1.00101.16 H new ATOM 0 HH22 ARG B 144 43.185 90.753 38.980 1.00101.16 H new ATOM 2222 N VAL B 145 41.083 88.203 47.574 1.00 60.42 N ATOM 2223 CA VAL B 145 40.817 88.126 49.005 1.00 58.24 C ATOM 2224 C VAL B 145 41.289 89.415 49.666 1.00 57.58 C ATOM 2225 O VAL B 145 42.256 90.033 49.223 1.00 60.87 O ATOM 2226 CB VAL B 145 41.499 86.864 49.656 1.00 59.47 C ATOM 2227 CG1 VAL B 145 42.055 85.931 48.582 1.00 60.95 C ATOM 2228 CG2 VAL B 145 42.594 87.239 50.626 1.00 58.57 C ATOM 0 H VAL B 145 41.866 88.492 47.365 1.00 60.42 H new ATOM 0 HA VAL B 145 39.862 88.025 49.144 1.00 58.24 H new ATOM 0 HB VAL B 145 40.808 86.402 50.155 1.00 59.47 H new ATOM 0 HG11 VAL B 145 42.470 85.162 49.004 1.00 60.95 H new ATOM 0 HG12 VAL B 145 41.333 85.633 48.006 1.00 60.95 H new ATOM 0 HG13 VAL B 145 42.716 86.404 48.053 1.00 60.95 H new ATOM 0 HG21 VAL B 145 42.984 86.434 51.001 1.00 58.57 H new ATOM 0 HG22 VAL B 145 43.280 87.744 50.161 1.00 58.57 H new ATOM 0 HG23 VAL B 145 42.223 87.781 51.340 1.00 58.57 H new ATOM 2229 N LYS B 146 40.584 89.843 50.705 1.00 61.28 N ATOM 2230 CA LYS B 146 40.965 91.050 51.422 1.00 61.20 C ATOM 2231 C LYS B 146 40.999 90.743 52.903 1.00 62.26 C ATOM 2232 O LYS B 146 40.048 90.176 53.441 1.00 64.24 O ATOM 2233 CB LYS B 146 39.993 92.205 51.134 1.00 66.15 C ATOM 2234 CG LYS B 146 40.686 93.572 50.970 1.00 73.02 C ATOM 2235 CD LYS B 146 39.866 94.756 51.519 1.00 81.60 C ATOM 2236 CE LYS B 146 40.145 95.016 53.014 1.00 81.41 C ATOM 2237 NZ LYS B 146 41.554 95.449 53.318 1.00 71.43 N ATOM 0 H LYS B 146 39.883 89.449 51.010 1.00 61.28 H new ATOM 0 HA LYS B 146 41.843 91.333 51.121 1.00 61.20 H new ATOM 0 HB2 LYS B 146 39.496 92.005 50.326 1.00 66.15 H new ATOM 0 HB3 LYS B 146 39.349 92.263 51.857 1.00 66.15 H new ATOM 0 HG2 LYS B 146 41.544 93.546 51.422 1.00 73.02 H new ATOM 0 HG3 LYS B 146 40.866 93.723 50.029 1.00 73.02 H new ATOM 0 HD2 LYS B 146 40.074 95.555 51.009 1.00 81.60 H new ATOM 0 HD3 LYS B 146 38.921 94.578 51.394 1.00 81.60 H new ATOM 0 HE2 LYS B 146 39.533 95.698 53.332 1.00 81.41 H new ATOM 0 HE3 LYS B 146 39.952 94.207 53.513 1.00 81.41 H new ATOM 0 HZ1 LYS B 146 41.961 94.820 53.799 1.00 71.43 H new ATOM 0 HZ2 LYS B 146 41.998 95.573 52.556 1.00 71.43 H new ATOM 0 HZ3 LYS B 146 41.538 96.210 53.779 1.00 71.43 H new ATOM 2238 N LEU B 147 42.098 91.110 53.557 1.00 59.64 N ATOM 2239 CA LEU B 147 42.252 90.886 54.992 1.00 59.45 C ATOM 2240 C LEU B 147 42.521 92.198 55.708 1.00 61.46 C ATOM 2241 O LEU B 147 43.094 93.117 55.118 1.00 64.37 O ATOM 2242 CB LEU B 147 43.395 89.904 55.258 1.00 59.92 C ATOM 2243 CG LEU B 147 43.474 88.697 54.320 1.00 58.83 C ATOM 2244 CD1 LEU B 147 44.825 88.017 54.447 1.00 55.55 C ATOM 2245 CD2 LEU B 147 42.351 87.710 54.601 1.00 58.18 C ATOM 0 H LEU B 147 42.771 91.494 53.184 1.00 59.64 H new ATOM 0 HA LEU B 147 41.426 90.507 55.332 1.00 59.45 H new ATOM 0 HB2 LEU B 147 44.233 90.389 55.204 1.00 59.92 H new ATOM 0 HB3 LEU B 147 43.313 89.579 56.168 1.00 59.92 H new ATOM 0 HG LEU B 147 43.370 89.015 53.410 1.00 58.83 H new ATOM 0 HD11 LEU B 147 44.861 87.255 53.848 1.00 55.55 H new ATOM 0 HD12 LEU B 147 45.527 88.645 54.214 1.00 55.55 H new ATOM 0 HD13 LEU B 147 44.951 87.716 55.360 1.00 55.55 H new ATOM 0 HD21 LEU B 147 42.423 86.956 53.995 1.00 58.18 H new ATOM 0 HD22 LEU B 147 42.417 87.396 55.516 1.00 58.18 H new ATOM 0 HD23 LEU B 147 41.495 88.148 54.471 1.00 58.18 H new ATOM 2246 N GLY B 148 42.116 92.285 56.974 1.00 58.45 N ATOM 2247 CA GLY B 148 42.401 93.456 57.788 1.00 60.58 C ATOM 2248 C GLY B 148 41.319 94.513 57.720 1.00 68.32 C ATOM 2249 O GLY B 148 40.250 94.272 57.158 1.00 72.66 O ATOM 0 H GLY B 148 41.672 91.670 57.379 1.00 58.45 H new ATOM 0 HA2 GLY B 148 42.517 93.180 58.711 1.00 60.58 H new ATOM 0 HA3 GLY B 148 43.242 93.845 57.501 1.00 60.58 H new TER 2250 GLY B 148 HETATM 2251 ZN ZN A 701 74.267 65.136 28.437 1.00 55.68 ZN HETATM 2252 ZN ZN A 702 76.264 72.660 39.832 1.00 68.73 ZN HETATM 2253 MG MG A 703 66.964 55.663 35.636 1.00 50.62 MG HETATM 2254 PA TTP A 704 67.027 56.462 38.880 1.00 48.83 P HETATM 2255 O1A TTP A 704 66.632 56.695 37.438 1.00 48.31 O HETATM 2256 O2A TTP A 704 65.812 56.083 39.704 1.00 51.89 O HETATM 2257 O3A TTP A 704 68.209 55.357 39.085 1.00 52.83 O HETATM 2258 PB TTP A 704 68.606 54.158 38.062 1.00 54.13 P HETATM 2259 O1B TTP A 704 67.591 54.027 36.930 1.00 50.36 O HETATM 2260 O2B TTP A 704 68.779 52.835 38.782 1.00 52.56 O HETATM 2261 O3B TTP A 704 70.081 54.590 37.541 1.00 59.13 O HETATM 2262 PG TTP A 704 70.384 55.441 36.190 1.00 48.36 P HETATM 2263 O1G TTP A 704 71.047 54.519 35.185 1.00 51.18 O HETATM 2264 O2G TTP A 704 71.325 56.573 36.545 1.00 47.08 O HETATM 2265 O3G TTP A 704 69.121 56.081 35.643 1.00 42.09 O HETATM 2266 O5' TTP A 704 67.754 57.791 39.460 1.00 47.48 O HETATM 2267 C5' TTP A 704 68.633 58.528 38.612 1.00 43.88 C HETATM 2268 C4' TTP A 704 68.845 59.947 39.123 1.00 45.25 C HETATM 2269 O4' TTP A 704 68.765 60.001 40.550 1.00 44.50 O HETATM 2270 C3' TTP A 704 70.235 60.418 38.761 1.00 44.00 C HETATM 2271 O3' TTP A 704 70.107 61.782 38.383 1.00 39.30 O HETATM 2272 C2' TTP A 704 71.039 60.372 40.050 1.00 44.75 C HETATM 2273 C1' TTP A 704 69.981 60.470 41.137 1.00 45.06 C HETATM 2274 N1 TTP A 704 70.322 59.704 42.357 1.00 47.27 N HETATM 2275 C2 TTP A 704 71.254 60.267 43.275 1.00 43.76 C HETATM 2276 O2 TTP A 704 71.767 61.386 43.022 1.00 41.55 O HETATM 2277 N3 TTP A 704 71.593 59.631 44.422 1.00 45.91 N HETATM 2278 C4 TTP A 704 71.059 58.433 44.718 1.00 49.22 C HETATM 2279 O4 TTP A 704 71.377 57.851 45.781 1.00 49.41 O HETATM 2280 C5 TTP A 704 70.085 57.808 43.767 1.00 48.86 C HETATM 2281 C5M TTP A 704 69.463 56.460 44.077 1.00 42.22 C HETATM 2282 C6 TTP A 704 69.756 58.504 42.602 1.00 44.28 C HETATM 0 HO3' TTP A 704 69.558 61.847 37.750 1.00 39.30 H new HETATM 0 HM53 TTP A 704 70.162 55.793 44.161 1.00 42.22 H new HETATM 0 HM52 TTP A 704 68.968 56.516 44.909 1.00 42.22 H new HETATM 0 HM51 TTP A 704 68.861 56.208 43.359 1.00 42.22 H new HETATM 0 H5'2 TTP A 704 69.487 58.072 38.556 1.00 43.88 H new HETATM 0 H5'1 TTP A 704 68.268 58.558 37.714 1.00 43.88 H new HETATM 0 H2'2 TTP A 704 71.550 59.550 40.123 1.00 44.75 H new HETATM 0 H2'1 TTP A 704 71.672 61.105 40.102 1.00 44.75 H new HETATM 0 HN3 TTP A 704 72.153 59.995 44.964 1.00 45.91 H new HETATM 0 H6 TTP A 704 69.123 58.126 41.971 1.00 44.28 H new HETATM 0 H4' TTP A 704 68.157 60.500 38.721 1.00 45.25 H new HETATM 0 H3' TTP A 704 70.646 59.890 38.059 1.00 44.00 H new HETATM 0 H1' TTP A 704 69.905 61.388 41.441 1.00 45.06 H new HETATM 2283 ZN ZN B 701 68.707 90.905 42.470 1.00 63.32 ZN HETATM 2284 ZN ZN B 702 63.826 78.575 38.861 1.00 67.53 ZN HETATM 2285 MG MG B 703 68.183 87.598 56.060 1.00 48.92 MG HETATM 2286 PA TTP B 704 66.650 84.343 56.402 1.00 48.39 P HETATM 2287 O1A TTP B 704 67.703 85.339 55.954 1.00 49.10 O HETATM 2288 O2A TTP B 704 67.101 83.526 57.594 1.00 48.95 O HETATM 2289 O3A TTP B 704 65.223 85.060 56.711 1.00 51.96 O HETATM 2290 PB TTP B 704 65.041 86.599 57.187 1.00 50.72 P HETATM 2291 O1B TTP B 704 66.378 87.260 57.444 1.00 54.43 O HETATM 2292 O2B TTP B 704 64.171 86.680 58.428 1.00 51.67 O HETATM 2293 O3B TTP B 704 64.274 87.294 55.942 1.00 56.03 O HETATM 2294 PG TTP B 704 65.021 88.116 54.761 1.00 50.86 P HETATM 2295 O1G TTP B 704 64.414 87.675 53.452 1.00 41.44 O HETATM 2296 O2G TTP B 704 64.850 89.602 55.004 1.00 54.20 O HETATM 2297 O3G TTP B 704 66.510 87.821 54.717 1.00 53.43 O HETATM 2298 O5' TTP B 704 66.249 83.434 55.126 1.00 49.77 O HETATM 2299 C5' TTP B 704 66.070 84.077 53.854 1.00 47.27 C HETATM 2300 C4' TTP B 704 66.116 83.045 52.739 1.00 47.91 C HETATM 2301 O4' TTP B 704 65.505 81.837 53.201 1.00 45.59 O HETATM 2302 C3' TTP B 704 65.354 83.493 51.499 1.00 43.90 C HETATM 2303 O3' TTP B 704 66.112 83.109 50.347 1.00 43.92 O HETATM 2304 C2' TTP B 704 64.079 82.670 51.479 1.00 43.31 C HETATM 2305 C1' TTP B 704 64.444 81.457 52.314 1.00 45.47 C HETATM 2306 N1 TTP B 704 63.316 80.942 53.099 1.00 49.61 N HETATM 2307 C2 TTP B 704 62.310 80.239 52.407 1.00 47.58 C HETATM 2308 O2 TTP B 704 62.400 80.117 51.159 1.00 41.60 O HETATM 2309 N3 TTP B 704 61.267 79.715 53.074 1.00 50.62 N HETATM 2310 C4 TTP B 704 61.152 79.846 54.401 1.00 46.57 C HETATM 2311 O4 TTP B 704 60.166 79.356 54.987 1.00 47.56 O HETATM 2312 C5 TTP B 704 62.190 80.589 55.161 1.00 48.50 C HETATM 2313 C5M TTP B 704 62.084 80.760 56.663 1.00 43.58 C HETATM 2314 C6 TTP B 704 63.260 81.113 54.437 1.00 48.00 C HETATM 0 HO3' TTP B 704 66.894 83.410 50.413 1.00 43.92 H new HETATM 0 HM53 TTP B 704 61.265 81.233 56.878 1.00 43.58 H new HETATM 0 HM52 TTP B 704 62.074 79.888 57.088 1.00 43.58 H new HETATM 0 HM51 TTP B 704 62.845 81.268 56.986 1.00 43.58 H new HETATM 0 H5'2 TTP B 704 65.221 84.545 53.837 1.00 47.27 H new HETATM 0 H5'1 TTP B 704 66.763 84.742 53.719 1.00 47.27 H new HETATM 0 H2'2 TTP B 704 63.331 83.157 51.860 1.00 43.31 H new HETATM 0 H2'1 TTP B 704 63.826 82.422 50.576 1.00 43.31 H new HETATM 0 HN3 TTP B 704 60.661 79.287 52.639 1.00 50.62 H new HETATM 0 H6 TTP B 704 63.963 81.600 54.894 1.00 48.00 H new HETATM 0 H4' TTP B 704 67.049 82.920 52.503 1.00 47.91 H new HETATM 0 H3' TTP B 704 65.190 84.449 51.502 1.00 43.90 H new HETATM 0 H1' TTP B 704 64.713 80.745 51.712 1.00 45.47 H new HETATM 2315 O HOH A 801 93.143 61.928 55.165 1.00 52.01 O HETATM 2316 O HOH A 802 80.539 56.150 58.160 1.00 44.49 O HETATM 2317 O HOH A 803 73.430 54.934 31.298 1.00 51.83 O HETATM 2318 O HOH A 804 73.014 55.874 46.120 1.00 47.19 O HETATM 2319 O HOH A 805 68.974 78.316 55.211 1.00 45.76 O HETATM 2320 O HOH A 806 71.055 58.992 35.618 1.00 43.92 O HETATM 2321 O HOH A 807 83.882 59.528 63.947 1.00 52.99 O HETATM 2322 O HOH A 808 87.665 67.422 54.421 1.00 54.23 O HETATM 2323 O HOH A 809 76.697 88.064 49.474 1.00 49.92 O HETATM 2324 O HOH A 810 83.722 68.665 53.466 1.00 43.47 O HETATM 2325 O HOH A 811 74.214 56.251 59.423 1.00 49.65 O HETATM 2326 O HOH A 812 78.529 71.904 40.099 1.00 43.97 O HETATM 2327 O HOH A 813 81.459 64.401 59.750 1.00 50.88 O HETATM 2328 O HOH A 814 75.506 76.740 55.199 1.00 36.76 O HETATM 2329 O HOH A 815 65.745 63.524 30.409 1.00 49.24 O HETATM 2330 O HOH A 816 77.915 58.534 30.948 1.00 49.64 O HETATM 2331 O HOH A 817 70.413 67.799 21.637 1.00 53.34 O HETATM 2332 O HOH A 818 71.609 59.482 48.306 1.00 43.04 O HETATM 2333 O HOH A 819 61.575 63.080 57.605 1.00 51.35 O HETATM 2334 O HOH A 820 73.882 55.180 36.308 1.00 44.89 O HETATM 2335 O HOH A 821 65.985 55.903 31.595 1.00 54.69 O HETATM 2336 O HOH A 822 76.239 66.927 32.109 1.00 43.94 O HETATM 2337 O HOH A 823 76.239 60.395 27.633 1.00 44.78 O HETATM 2338 O HOH A 824 71.690 61.794 31.638 1.00 43.81 O HETATM 2339 O HOH A 825 73.372 68.108 31.584 1.00 49.89 O HETATM 2340 O HOH A 826 68.513 63.270 43.651 1.00 40.90 O HETATM 2341 O HOH A 827 64.916 54.793 35.887 1.00 49.66 O HETATM 2342 O HOH A 828 66.456 64.732 32.907 1.00 45.25 O HETATM 2343 O HOH A 829 71.692 69.266 62.856 1.00 52.39 O HETATM 2344 O HOH A 830 71.704 78.318 55.825 1.00 39.70 O HETATM 2345 O HOH A 831 66.747 57.748 34.760 1.00 50.28 O HETATM 2346 O HOH A 832 79.101 66.626 60.630 1.00 52.58 O HETATM 2347 O HOH A 833 90.309 62.273 57.801 1.00 50.54 O HETATM 2348 O HOH A 834 71.514 51.938 36.463 1.00 52.07 O HETATM 2349 O HOH A 835 69.251 80.595 40.711 1.00 52.84 O HETATM 2350 O HOH A 836 72.881 70.065 33.285 1.00 52.13 O HETATM 2351 O HOH A 837 84.452 64.713 34.153 1.00 47.10 O HETATM 2352 O HOH A 838 78.278 69.226 38.724 1.00 48.63 O HETATM 2353 O HOH A 839 73.954 63.781 21.574 1.00 52.00 O HETATM 2354 O HOH A 840 79.819 57.252 25.549 1.00 44.62 O HETATM 2355 O HOH A 841 77.485 67.307 38.041 1.00 40.66 O HETATM 2356 O HOH A 842 77.950 70.506 28.855 1.00 30.35 O HETATM 2357 O HOH A 843 75.153 80.785 58.804 1.00 54.64 O HETATM 2358 O HOH A 844 95.017 65.404 49.870 1.00 57.10 O HETATM 2359 O HOH A 845 79.947 78.711 38.303 1.00 45.41 O HETATM 2360 O HOH A 846 82.698 78.409 41.284 1.00 55.11 O HETATM 2361 O HOH A 847 66.972 63.455 59.395 1.00 34.85 O HETATM 2362 O HOH A 848 67.243 54.405 33.703 1.00 54.06 O HETATM 2363 O HOH A 849 71.217 71.061 38.876 1.00 31.47 O HETATM 2364 O HOH A 850 75.758 60.135 24.892 1.00 49.67 O HETATM 2365 O HOH A 851 74.613 78.808 60.669 1.00 57.87 O HETATM 2366 O HOH B 801 50.751 69.899 59.307 1.00 46.32 O HETATM 2367 O HOH B 802 61.778 79.685 38.753 1.00 43.04 O HETATM 2368 O HOH B 803 64.672 76.934 57.262 1.00 53.16 O HETATM 2369 O HOH B 804 61.925 89.229 52.950 1.00 45.54 O HETATM 2370 O HOH B 805 43.829 84.209 34.310 1.00 58.45 O HETATM 2371 O HOH B 806 56.943 73.002 57.611 1.00 48.46 O HETATM 2372 O HOH B 807 63.934 61.083 42.367 1.00 41.54 O HETATM 2373 O HOH B 808 46.885 68.159 48.973 1.00 50.77 O HETATM 2374 O HOH B 809 69.206 73.553 34.658 1.00 41.52 O HETATM 2375 O HOH B 810 58.008 63.990 40.307 1.00 44.00 O HETATM 2376 O HOH B 811 65.894 87.074 51.332 1.00 46.02 O HETATM 2377 O HOH B 812 68.121 86.082 52.232 1.00 45.69 O HETATM 2378 O HOH B 813 65.724 94.219 45.181 1.00 53.67 O HETATM 2379 O HOH B 814 70.859 92.385 52.953 1.00 55.40 O HETATM 2380 O HOH B 815 62.197 93.183 47.026 1.00 52.46 O HETATM 2381 O HOH B 816 65.391 77.561 51.475 1.00 44.09 O HETATM 2382 O HOH B 817 70.888 90.206 54.869 1.00 53.80 O HETATM 2383 O HOH B 818 45.582 72.227 41.709 1.00 55.64 O HETATM 2384 O HOH B 819 64.106 64.223 59.344 1.00 46.70 O HETATM 2385 O HOH B 820 55.605 85.297 39.938 1.00 50.69 O HETATM 2386 O HOH B 821 76.751 92.989 40.483 1.00 53.65 O HETATM 2387 O HOH B 822 69.408 86.902 54.354 1.00 51.76 O HETATM 2388 O HOH B 823 73.900 87.310 48.669 1.00 46.23 O HETATM 2389 O HOH B 824 58.265 58.645 37.999 1.00 53.62 O HETATM 2390 O HOH B 825 72.780 84.932 48.042 1.00 40.09 O HETATM 2391 O HOH B 826 68.184 89.669 56.079 1.00 49.15 O HETATM 2392 O HOH B 827 66.268 80.803 57.450 1.00 49.17 O HETATM 2393 O HOH B 828 49.733 71.462 42.508 1.00 46.15 O HETATM 2394 O HOH B 829 54.552 78.962 27.348 1.00 66.52 O HETATM 2395 O HOH B 830 60.227 81.041 35.170 1.00 52.50 O HETATM 2396 O HOH B 831 66.999 76.950 40.177 1.00 50.47 O HETATM 2397 O HOH B 832 69.051 83.762 40.642 1.00 53.97 O HETATM 2398 O HOH B 833 62.987 89.973 57.248 1.00 52.31 O HETATM 2399 O HOH B 834 68.070 89.029 47.499 1.00 45.63 O HETATM 2400 O HOH B 835 66.428 79.735 55.101 1.00 45.98 O HETATM 2401 O HOH B 836 59.206 76.536 54.831 1.00 42.30 O HETATM 2402 O HOH B 837 57.483 89.477 39.504 1.00 50.90 O HETATM 2403 O HOH B 838 77.184 93.067 54.823 1.00 58.85 O HETATM 2404 O HOH B 839 67.257 88.934 36.416 1.00 52.14 O HETATM 2405 O HOH B 840 41.740 66.957 53.502 1.00 56.03 O HETATM 2406 O HOH B 841 58.831 63.997 56.703 1.00 34.40 O HETATM 2407 O HOH B 842 69.615 87.235 57.797 1.00 50.60 O HETATM 2408 O HOH B 843 38.306 72.607 48.121 1.00 56.16 O HETATM 2409 O HOH B 844 71.757 96.975 41.348 1.00 45.86 O HETATM 2410 O HOH B 845 54.508 60.191 51.010 1.00 62.05 O HETATM 2411 O HOH B 846 67.866 78.564 42.411 1.00 33.19 O HETATM 2412 O HOH B 847 61.896 82.461 41.500 1.00 47.63 O HETATM 2413 O HOH B 848 49.320 68.709 32.083 1.00 60.35 O HETATM 2414 O HOH B 849 60.089 81.568 32.122 1.00 70.05 O HETATM 2415 O HOH B 850 62.227 81.728 37.034 1.00 43.54 O CONECT 164 2251 CONECT 383 2251 CONECT 474 2251 CONECT 514 2252 CONECT 729 2252 CONECT 751 2252 CONECT 1289 2283 CONECT 1508 2283 CONECT 1542 2283 CONECT 1599 2283 CONECT 1639 2284 CONECT 1854 2284 CONECT 1876 2284 CONECT 2251 164 383 474 CONECT 2252 514 729 751 2326 CONECT 2253 2255 2259 2265 2341 CONECT 2253 2345 2362 CONECT 2254 2255 2256 2257 2266 CONECT 2255 2253 2254 CONECT 2256 2254 CONECT 2257 2254 2258 CONECT 2258 2257 2259 2260 2261 CONECT 2259 2253 2258 CONECT 2260 2258 CONECT 2261 2258 2262 CONECT 2262 2261 2263 2264 2265 CONECT 2263 2262 CONECT 2264 2262 CONECT 2265 2253 2262 CONECT 2266 2254 2267 CONECT 2267 2266 2268 CONECT 2268 2267 2269 2270 CONECT 2269 2268 2273 CONECT 2270 2268 2271 2272 CONECT 2271 2270 CONECT 2272 2270 2273 CONECT 2273 2269 2272 2274 CONECT 2274 2273 2275 2282 CONECT 2275 2274 2276 2277 CONECT 2276 2275 CONECT 2277 2275 2278 CONECT 2278 2277 2279 2280 CONECT 2279 2278 CONECT 2280 2278 2281 2282 CONECT 2281 2280 CONECT 2282 2274 2280 CONECT 2283 1289 1508 1542 1599 CONECT 2284 1639 1854 1876 2367 CONECT 2285 2287 2291 2297 2387 CONECT 2285 2391 2407 CONECT 2286 2287 2288 2289 2298 CONECT 2287 2285 2286 CONECT 2288 2286 CONECT 2289 2286 2290 CONECT 2290 2289 2291 2292 2293 CONECT 2291 2285 2290 CONECT 2292 2290 CONECT 2293 2290 2294 CONECT 2294 2293 2295 2296 2297 CONECT 2295 2294 CONECT 2296 2294 CONECT 2297 2285 2294 CONECT 2298 2286 2299 CONECT 2299 2298 2300 CONECT 2300 2299 2301 2302 CONECT 2301 2300 2305 CONECT 2302 2300 2303 2304 CONECT 2303 2302 CONECT 2304 2302 2305 CONECT 2305 2301 2304 2306 CONECT 2306 2305 2307 2314 CONECT 2307 2306 2308 2309 CONECT 2308 2307 CONECT 2309 2307 2310 CONECT 2310 2309 2311 2312 CONECT 2311 2310 CONECT 2312 2310 2313 2314 CONECT 2313 2312 CONECT 2314 2306 2312 CONECT 2326 2252 CONECT 2341 2253 CONECT 2345 2253 CONECT 2362 2253 CONECT 2367 2284 CONECT 2387 2285 CONECT 2391 2285 CONECT 2407 2285 END