USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) HEADER ACTIN-BINDING PROTEIN 16-JAN-97 2VIK TITLE REFINED STRUCTURE OF THE ACTIN-SEVERING DOMAIN VILLIN 14T, TITLE 2 DETERMINED BY SOLUTION NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: VILLIN 14T; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1 - 126; COMPND 5 SYNONYM: VILLIN DOMAIN 1, VILLIN SEGMENT 1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELL_LINE: BL21; SOURCE 6 ORGAN: INTESTINE; SOURCE 7 CELL: EPITHELIAL CELLS; SOURCE 8 GENE: T7; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 0 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 1 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 2 EXPRESSION_SYSTEM_VECTOR_TYPE: BACTERIAL; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PAED4, BASED ON T7 PROMOTER; SOURCE 4 EXPRESSION_SYSTEM_GENE: T7 KEYWDS ACTIN-BINDING PROTEIN, CAPPING PROTEIN, CALCIUM-BINDING KEYWDS 2 PROTEIN, CYTOSKELETAL PROTEIN EXPDTA SOLUTION NMR AUTHOR M.A.MARKUS,P.MATSUDAIRA,G.WAGNER REVDAT 2 24-FEB-09 2VIK 1 VERSN REVDAT 1 01-APR-97 2VIK 0 JRNL AUTH M.A.MARKUS,P.MATSUDAIRA,G.WAGNER JRNL TITL REFINED STRUCTURE OF VILLIN 14T AND A DETAILED JRNL TITL 2 COMPARISON WITH OTHER ACTIN-SEVERING DOMAINS. JRNL REF PROTEIN SCI. V. 6 1197 1997 JRNL REFN ISSN 0961-8368 JRNL PMID 9194180 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.A.MARKUS,K.T.DAYIE,P.MATSUDAIRA,G.WAGNER REMARK 1 TITL LOCAL MOBILITY WITHIN VILLIN 14T PROBED VIA REMARK 1 TITL 2 HETERONUCLEAR RELAXATION MEASUREMENTS AND A REMARK 1 TITL 3 REDUCED SPECTRAL DENSITY MAPPING REMARK 1 REF BIOCHEMISTRY V. 35 1722 1996 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.A.MARKUS,T.NAKAYAMA,P.MATSUDAIRA,G.WAGNER REMARK 1 TITL SOLUTION STRUCTURE OF VILLIN 14T, A DOMAIN REMARK 1 TITL 2 CONSERVED AMONG ACTIN-SEVERING PROTEINS REMARK 1 REF PROTEIN SCI. V. 3 70 1994 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.A.MARKUS,T.NAKAYAMA,P.MATSUDAIRA,G.WAGNER REMARK 1 TITL 1H, 15N, 13C AND 13CO RESONANCE ASSIGNMENTS AND REMARK 1 TITL 2 SECONDARY STRUCTURE OF VILLIN 14T, A DOMAIN REMARK 1 TITL 3 CONSERVED AMONG ACTIN-SEVERING PROTEINS REMARK 1 REF J.BIOMOL.NMR V. 4 553 1994 REMARK 1 REFN ISSN 0925-2738 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2VIK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.15 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII, IN INSIGHT II II REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NOE VIOLATIONS < 0.5 A REMARK 210 DIHEDRAL VIOL < 5 DEGREES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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 GLU A 2 75.89 40.20 REMARK 500 SER A 4 151.07 -43.34 REMARK 500 LYS A 5 -72.80 80.07 REMARK 500 VAL A 7 -72.07 -151.51 REMARK 500 THR A 15 105.78 -170.02 REMARK 500 ASN A 25 27.04 42.32 REMARK 500 PRO A 32 -159.57 -77.60 REMARK 500 TYR A 40 147.85 -39.21 REMARK 500 ASP A 43 -145.26 -163.10 REMARK 500 LYS A 67 92.58 -38.74 REMARK 500 ASN A 68 -46.11 -162.76 REMARK 500 SER A 69 -158.47 -60.87 REMARK 500 SER A 90 -0.69 76.06 REMARK 500 SER A 103 -106.67 -47.63 REMARK 500 GLN A 112 -77.64 -173.90 REMARK 500 LYS A 117 -169.31 -79.97 REMARK 500 SER A 123 -73.58 -67.31 REMARK 500 MET A 125 -69.03 -156.07 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 22 0.27 SIDE_CHAIN REMARK 500 ARG A 51 0.11 SIDE_CHAIN REMARK 500 ARG A 96 0.32 SIDE_CHAIN REMARK 500 ARG A 107 0.20 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: ACT REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: CENTER OF ACTIN MONOMER BINDING SITE, BASED REMARK 800 ON COMPARISON WITH THE GELSOLIN SEGMENT 1-ACTIN COCRYSTAL REMARK 800 (CENTERED ON ILE 79). REMARK 800 SITE_IDENTIFIER: CA1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: SIDE CHAINS THAT PROVIDE LIGANDS TO CALCIUM REMARK 800 IN THE STRONGER BINDING SITE, BASED ON COMPARISON TO GELSOLIN REMARK 800 SEGMENT 1 AND CALCIUM TITRATIONS MONITORED BY NMR. NOTE THIS REMARK 800 CORRESPONDS TO THE INTRAMOLECULAR SITE IN THE GELSOLIN SEGMENT REMARK 800 1-ACTIN CO-CRYSTAL (ASP 43, GLU 73). REMARK 800 SITE_IDENTIFIER: CA2 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: SIDE CHAIN THAT PROVIDES LIGANDS TO CALCIUM REMARK 800 IN THE WEAKER BINDING SITE, BASED ON COMPARISON TO GELSOLIN REMARK 800 SEGMENT 1 AND CALCIUM TITRATIONS MONITORED BY NMR. NOTE THIS REMARK 800 CORRESPONDS TO THE INTERMOLECULAR SITE IN THE GELSOLIN SEGMENT REMARK 800 1-ACTIN CO-CRYSTAL (ASP 85). REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2VIL RELATED DB: PDB DBREF 2VIK A 1 126 UNP P02640 VILI_CHICK 2 127 SEQRES 1 A 126 VAL GLU LEU SER LYS LYS VAL THR GLY LYS LEU ASP LYS SEQRES 2 A 126 THR THR PRO GLY ILE GLN ILE TRP ARG ILE GLU ASN MET SEQRES 3 A 126 GLU MET VAL PRO VAL PRO THR LYS SER TYR GLY ASN PHE SEQRES 4 A 126 TYR GLU GLY ASP CYS TYR VAL LEU LEU SER THR ARG LYS SEQRES 5 A 126 THR GLY SER GLY PHE SER TYR ASN ILE HIS TYR TRP LEU SEQRES 6 A 126 GLY LYS ASN SER SER GLN ASP GLU GLN GLY ALA ALA ALA SEQRES 7 A 126 ILE TYR THR THR GLN MET ASP GLU TYR LEU GLY SER VAL SEQRES 8 A 126 ALA VAL GLN HIS ARG GLU VAL GLN GLY HIS GLU SER GLU SEQRES 9 A 126 THR PHE ARG ALA TYR PHE LYS GLN GLY LEU ILE TYR LYS SEQRES 10 A 126 GLN GLY GLY VAL ALA SER GLY MET LYS HELIX 1 A1 LEU A 3 LYS A 10 1 8 HELIX 2 A2 GLN A 71 LEU A 88 1 18 HELIX 3 A3 SER A 103 TYR A 109 1 7 SHEET 1 CEN 5 VAL A 29 VAL A 31 0 SHEET 2 CEN 5 GLY A 17 ILE A 23 -1 N ARG A 22 O VAL A 29 SHEET 3 CEN 5 CYS A 44 LYS A 52 -1 N LEU A 48 O GLN A 19 SHEET 4 CEN 5 PHE A 57 LEU A 65 -1 N HIS A 62 O LEU A 47 SHEET 5 CEN 5 GLN A 94 VAL A 98 1 O HIS A 95 N TYR A 63 SHEET 1 PAR 2 ASN A 38 TYR A 40 0 SHEET 2 PAR 2 ILE A 115 LYS A 117 1 O ILE A 115 N PHE A 39 HYDBND N ILE A 20 H ILA 2 VAL A 31 1555 1555 HYDBND N TRP A 21 H TRA 2 VAL A 46 1555 1555 HYDBND N ARG A 22 H ARA 2 VAL A 29 1555 1555 HYDBND N VAL A 29 H VAA 2 ARG A 22 1555 1555 HYDBND N VAL A 31 H VAA 3 ILE A 20 1555 1555 HYDBND N ASP A 43 H ASA 4 GLY A 66 1555 1555 HYDBND N TYR A 45 H TYA 4 TRP A 64 1555 1555 HYDBND N VAL A 46 H VAA 4 TRP A 21 1555 1555 HYDBND N LEU A 47 H LEA 4 HIS A 62 1555 1555 HYDBND N LEU A 48 H LEA 4 GLN A 19 1555 1555 HYDBND N SER A 49 H SEA 4 ASN A 60 1555 1555 HYDBND N THR A 50 H THA 5 GLY A 17 1555 1555 HYDBND N ARG A 51 H ARA 5 SER A 58 1555 1555 HYDBND N SER A 58 H SEA 5 ARG A 51 1555 1555 HYDBND N ASN A 60 H ASA 6 SER A 49 1555 1555 HYDBND N ILE A 61 H ILA 6 VAL A 93 1555 1555 HYDBND N HIS A 62 H HIA 6 LEU A 47 1555 1555 HYDBND N TYR A 63 H TYA 6 HIS A 95 1555 1555 HYDBND N TRP A 64 H TRA 6 TYR A 45 1555 1555 HYDBND N LEU A 65 H LEA 6 GLU A 97 1555 1555 HYDBND N GLY A 66 H GLA 6 ASP A 43 1555 1555 HYDBND N GLU A 97 H GLA 9 TYR A 63 1555 1555 HYDBND N PHE A 39 H PHA 3 ILE A 115 1555 1555 HYDBND N GLU A 41 H GLA 4 LYS A 117 1555 1555 HYDBND N ILE A 115 H ILA 1 GLY A 37 1555 1555 HYDBND N GLN A 74 H GLA 7 SER A 70 1555 1555 HYDBND N GLY A 75 H GLA 7 GLN A 71 1555 1555 HYDBND N ALA A 76 H ALA 7 ASP A 72 1555 1555 HYDBND N ALA A 77 H ALA 7 GLU A 73 1555 1555 HYDBND N ALA A 78 H ALA 7 GLN A 74 1555 1555 HYDBND N ILE A 79 H ILA 7 GLY A 75 1555 1555 HYDBND N TYR A 80 H TYA 8 ALA A 76 1555 1555 HYDBND N THR A 81 H THA 8 ALA A 77 1555 1555 HYDBND N THR A 82 H THA 8 ALA A 78 1555 1555 HYDBND N GLN A 83 H GLA 8 ILE A 79 1555 1555 HYDBND N MET A 84 H MEA 8 TYR A 80 1555 1555 HYDBND N TYR A 87 H TYA 8 GLN A 83 1555 1555 HYDBND N LEU A 88 H LEA 8 MET A 84 1555 1555 HYDBND N PHE A 106 H PHA 1 GLU A 102 1555 1555 HYDBND N ARG A 107 H ARA 1 SER A 103 1555 1555 HYDBND N ALA A 108 H ALA 1 GLU A 104 1555 1555 HYDBND N TYR A 109 H TYA 1 THR A 105 1555 1555 HYDBND N PHE A 110 H PHA 1 PHE A 106 1555 1555 SITE *** ACT 1 ILE A 79 SITE *** CA1 2 ASP A 43 GLU A 73 SITE *** CA2 1 ASP A 85 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 Set 1.1: A 44 CYS SG : rot 19:sc= -4.87! USER MOD Set 1.2: A 69 SER OG : rot -152:sc= -1.99! USER MOD Set 2.1: A 60 ASN : amide:sc= -6.84! C(o=-35!,f=-43!) USER MOD Set 2.2: A 62 HIS : no HE2:sc= -13.7! C(o=-35!,f=-32!) USER MOD Set 2.3: A 95 HIS : no HE2:sc= -14.6! C(o=-35!,f=-33!) USER MOD Set 2.4: A 109 TYR OH : rot 120:sc= -0.155 USER MOD Set 3.1: A 28 MET CE :methyl -139:sc= -12.8! (180deg=-16.4!) USER MOD Set 3.2: A 84 MET CE :methyl 141:sc= -3 (180deg=-5.47!) USER MOD Set 4.1: A 26 MET CE :methyl -148:sc= -10.8! (180deg=-13.6!) USER MOD Set 4.2: A 70 SER OG : rot 104:sc= 0.846 USER MOD Single : A 1 VAL N :NH3+ -147:sc= -0.0813 (180deg=-0.927) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 145:sc= -1.65! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 31:sc= -0.226 USER MOD Single : A 15 THR OG1 : rot 4:sc= 0.864 USER MOD Single : A 19 GLN : amide:sc= -10.9! C(o=-11!,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -14.4! C(o=-14!,f=-22!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.61! C(o=-2.6!,f=-7!) USER MOD Single : A 40 TYR OH : rot 139:sc= -4.31! USER MOD Single : A 45 TYR OH : rot -33:sc= -0.541 USER MOD Single : A 49 SER OG : rot 150:sc= -1.42 USER MOD Single : A 50 THR OG1 : rot -89:sc= 0.621 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -30:sc= -6.5! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -7.21! C(o=-7.2!,f=-8.6!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 74 GLN : amide:sc= -0.615 K(o=-0.61,f=-0.0064) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -163:sc= -3.44! USER MOD Single : A 82 THR OG1 : rot 82:sc= 0.142 USER MOD Single : A 83 GLN : amide:sc= -0.784 K(o=-0.78,f=-6.8!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 99 GLN : amide:sc= -1.98! C(o=-2!,f=-4.8!) USER MOD Single : A 101 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.12) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0479 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0862 K(o=-0.086,f=-2.5!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc=-0.00819 X(o=-0.0082,f=-0.36) USER MOD Single : A 123 SER OG : rot -92:sc= 0.702 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.206 -32.901 -1.161 1.00 1.07 N ATOM 2 CA VAL A 1 -9.094 -33.877 -0.985 1.00 0.83 C ATOM 3 C VAL A 1 -8.168 -33.820 -2.201 1.00 0.90 C ATOM 4 O VAL A 1 -8.616 -33.773 -3.330 1.00 1.63 O ATOM 5 CB VAL A 1 -9.670 -35.288 -0.850 1.00 0.94 C ATOM 6 CG1 VAL A 1 -8.551 -36.263 -0.480 1.00 1.65 C ATOM 7 CG2 VAL A 1 -10.737 -35.298 0.247 1.00 1.45 C ATOM 0 H1 VAL A 1 -10.483 -32.520 -0.234 1.00 1.07 H new ATOM 0 H2 VAL A 1 -9.891 -32.123 -1.775 1.00 1.07 H new ATOM 0 H3 VAL A 1 -11.021 -33.378 -1.597 1.00 1.07 H new ATOM 0 HA VAL A 1 -8.530 -33.627 -0.086 1.00 0.83 H new ATOM 0 HB VAL A 1 -10.117 -35.591 -1.797 1.00 0.94 H new ATOM 0 HG11 VAL A 1 -8.961 -37.268 -0.384 1.00 1.65 H new ATOM 0 HG12 VAL A 1 -7.789 -36.255 -1.259 1.00 1.65 H new ATOM 0 HG13 VAL A 1 -8.104 -35.961 0.467 1.00 1.65 H new ATOM 0 HG21 VAL A 1 -11.149 -36.302 0.345 1.00 1.45 H new ATOM 0 HG22 VAL A 1 -10.289 -34.996 1.193 1.00 1.45 H new ATOM 0 HG23 VAL A 1 -11.535 -34.603 -0.015 1.00 1.45 H new ATOM 19 N GLU A 2 -6.879 -33.824 -1.977 1.00 0.79 N ATOM 20 CA GLU A 2 -5.913 -33.770 -3.114 1.00 0.88 C ATOM 21 C GLU A 2 -6.420 -32.796 -4.179 1.00 0.67 C ATOM 22 O GLU A 2 -6.916 -33.195 -5.214 1.00 0.79 O ATOM 23 CB GLU A 2 -5.756 -35.166 -3.726 1.00 1.20 C ATOM 24 CG GLU A 2 -7.133 -35.755 -4.040 1.00 1.69 C ATOM 25 CD GLU A 2 -6.963 -37.095 -4.758 1.00 2.24 C ATOM 26 OE1 GLU A 2 -6.032 -37.809 -4.424 1.00 2.60 O ATOM 27 OE2 GLU A 2 -7.766 -37.384 -5.630 1.00 2.81 O ATOM 0 H GLU A 2 -6.453 -33.863 -1.051 1.00 0.79 H new ATOM 0 HA GLU A 2 -4.946 -33.427 -2.745 1.00 0.88 H new ATOM 0 HB2 GLU A 2 -5.159 -35.108 -4.636 1.00 1.20 H new ATOM 0 HB3 GLU A 2 -5.221 -35.817 -3.035 1.00 1.20 H new ATOM 0 HG2 GLU A 2 -7.700 -35.893 -3.119 1.00 1.69 H new ATOM 0 HG3 GLU A 2 -7.702 -35.065 -4.664 1.00 1.69 H new ATOM 34 N LEU A 3 -6.299 -31.519 -3.935 1.00 0.65 N ATOM 35 CA LEU A 3 -6.775 -30.522 -4.934 1.00 0.63 C ATOM 36 C LEU A 3 -6.270 -30.910 -6.326 1.00 0.64 C ATOM 37 O LEU A 3 -6.955 -30.742 -7.315 1.00 1.16 O ATOM 38 CB LEU A 3 -6.260 -29.125 -4.553 1.00 0.89 C ATOM 39 CG LEU A 3 -4.791 -28.959 -4.966 1.00 1.08 C ATOM 40 CD1 LEU A 3 -4.412 -27.478 -4.899 1.00 1.45 C ATOM 41 CD2 LEU A 3 -3.892 -29.751 -4.012 1.00 1.75 C ATOM 0 H LEU A 3 -5.891 -31.124 -3.087 1.00 0.65 H new ATOM 0 HA LEU A 3 -7.865 -30.507 -4.944 1.00 0.63 H new ATOM 0 HB2 LEU A 3 -6.868 -28.362 -5.039 1.00 0.89 H new ATOM 0 HB3 LEU A 3 -6.360 -28.975 -3.478 1.00 0.89 H new ATOM 0 HG LEU A 3 -4.658 -29.331 -5.982 1.00 1.08 H new ATOM 0 HD11 LEU A 3 -3.369 -27.356 -5.192 1.00 1.45 H new ATOM 0 HD12 LEU A 3 -5.048 -26.909 -5.577 1.00 1.45 H new ATOM 0 HD13 LEU A 3 -4.548 -27.113 -3.881 1.00 1.45 H new ATOM 0 HD21 LEU A 3 -2.850 -29.630 -4.309 1.00 1.75 H new ATOM 0 HD22 LEU A 3 -4.025 -29.381 -2.995 1.00 1.75 H new ATOM 0 HD23 LEU A 3 -4.160 -30.807 -4.051 1.00 1.75 H new ATOM 53 N SER A 4 -5.075 -31.428 -6.410 1.00 0.75 N ATOM 54 CA SER A 4 -4.523 -31.825 -7.736 1.00 0.90 C ATOM 55 C SER A 4 -5.601 -32.548 -8.547 1.00 0.72 C ATOM 56 O SER A 4 -6.480 -33.182 -7.998 1.00 1.48 O ATOM 57 CB SER A 4 -3.329 -32.758 -7.532 1.00 1.59 C ATOM 58 OG SER A 4 -3.777 -34.106 -7.555 1.00 1.89 O ATOM 0 H SER A 4 -4.456 -31.594 -5.616 1.00 0.75 H new ATOM 0 HA SER A 4 -4.202 -30.934 -8.275 1.00 0.90 H new ATOM 0 HB2 SER A 4 -2.588 -32.596 -8.315 1.00 1.59 H new ATOM 0 HB3 SER A 4 -2.841 -32.541 -6.582 1.00 1.59 H new ATOM 0 HG SER A 4 -3.013 -34.707 -7.426 1.00 1.89 H new ATOM 64 N LYS A 5 -5.534 -32.456 -9.849 1.00 0.93 N ATOM 65 CA LYS A 5 -6.547 -33.136 -10.709 1.00 1.22 C ATOM 66 C LYS A 5 -7.827 -32.296 -10.764 1.00 1.26 C ATOM 67 O LYS A 5 -8.133 -31.681 -11.766 1.00 1.49 O ATOM 68 CB LYS A 5 -6.865 -34.521 -10.138 1.00 1.65 C ATOM 69 CG LYS A 5 -7.385 -35.426 -11.256 1.00 1.67 C ATOM 70 CD LYS A 5 -7.105 -36.888 -10.901 1.00 1.83 C ATOM 71 CE LYS A 5 -6.270 -37.531 -12.010 1.00 2.22 C ATOM 72 NZ LYS A 5 -6.766 -38.913 -12.267 1.00 2.54 N ATOM 0 H LYS A 5 -4.818 -31.936 -10.356 1.00 0.93 H new ATOM 0 HA LYS A 5 -6.145 -33.246 -11.716 1.00 1.22 H new ATOM 0 HB2 LYS A 5 -5.971 -34.955 -9.690 1.00 1.65 H new ATOM 0 HB3 LYS A 5 -7.610 -34.438 -9.347 1.00 1.65 H new ATOM 0 HG2 LYS A 5 -8.455 -35.273 -11.394 1.00 1.67 H new ATOM 0 HG3 LYS A 5 -6.902 -35.171 -12.199 1.00 1.67 H new ATOM 0 HD2 LYS A 5 -6.574 -36.947 -9.951 1.00 1.83 H new ATOM 0 HD3 LYS A 5 -8.043 -37.429 -10.777 1.00 1.83 H new ATOM 0 HE2 LYS A 5 -6.334 -36.935 -12.920 1.00 2.22 H new ATOM 0 HE3 LYS A 5 -5.220 -37.558 -11.720 1.00 2.22 H new ATOM 0 HZ1 LYS A 5 -6.199 -39.351 -13.021 1.00 2.54 H new ATOM 0 HZ2 LYS A 5 -6.683 -39.479 -11.398 1.00 2.54 H new ATOM 0 HZ3 LYS A 5 -7.763 -38.875 -12.561 1.00 2.54 H new ATOM 86 N LYS A 6 -8.581 -32.266 -9.698 1.00 1.28 N ATOM 87 CA LYS A 6 -9.840 -31.468 -9.699 1.00 1.50 C ATOM 88 C LYS A 6 -9.534 -30.024 -9.295 1.00 1.23 C ATOM 89 O LYS A 6 -10.417 -29.272 -8.932 1.00 1.55 O ATOM 90 CB LYS A 6 -10.828 -32.076 -8.702 1.00 1.85 C ATOM 91 CG LYS A 6 -10.963 -33.577 -8.967 1.00 2.29 C ATOM 92 CD LYS A 6 -12.275 -33.850 -9.703 1.00 2.83 C ATOM 93 CE LYS A 6 -12.423 -35.353 -9.943 1.00 3.32 C ATOM 94 NZ LYS A 6 -13.382 -35.586 -11.060 1.00 4.04 N ATOM 0 H LYS A 6 -8.380 -32.759 -8.828 1.00 1.28 H new ATOM 0 HA LYS A 6 -10.275 -31.480 -10.698 1.00 1.50 H new ATOM 0 HB2 LYS A 6 -10.483 -31.906 -7.682 1.00 1.85 H new ATOM 0 HB3 LYS A 6 -11.800 -31.591 -8.795 1.00 1.85 H new ATOM 0 HG2 LYS A 6 -10.120 -33.929 -9.562 1.00 2.29 H new ATOM 0 HG3 LYS A 6 -10.941 -34.127 -8.026 1.00 2.29 H new ATOM 0 HD2 LYS A 6 -13.117 -33.480 -9.117 1.00 2.83 H new ATOM 0 HD3 LYS A 6 -12.289 -33.316 -10.653 1.00 2.83 H new ATOM 0 HE2 LYS A 6 -11.454 -35.791 -10.184 1.00 3.32 H new ATOM 0 HE3 LYS A 6 -12.778 -35.844 -9.037 1.00 3.32 H new ATOM 0 HZ1 LYS A 6 -13.483 -36.608 -11.223 1.00 4.04 H new ATOM 0 HZ2 LYS A 6 -14.308 -35.182 -10.813 1.00 4.04 H new ATOM 0 HZ3 LYS A 6 -13.025 -35.131 -11.924 1.00 4.04 H new ATOM 108 N VAL A 7 -8.292 -29.629 -9.356 1.00 0.80 N ATOM 109 CA VAL A 7 -7.937 -28.232 -8.975 1.00 0.74 C ATOM 110 C VAL A 7 -6.693 -27.792 -9.750 1.00 0.68 C ATOM 111 O VAL A 7 -6.767 -26.982 -10.653 1.00 0.91 O ATOM 112 CB VAL A 7 -7.653 -28.171 -7.473 1.00 0.85 C ATOM 113 CG1 VAL A 7 -7.576 -26.710 -7.027 1.00 1.00 C ATOM 114 CG2 VAL A 7 -8.779 -28.876 -6.713 1.00 1.05 C ATOM 0 H VAL A 7 -7.509 -30.211 -9.652 1.00 0.80 H new ATOM 0 HA VAL A 7 -8.767 -27.567 -9.215 1.00 0.74 H new ATOM 0 HB VAL A 7 -6.705 -28.666 -7.262 1.00 0.85 H new ATOM 0 HG11 VAL A 7 -7.374 -26.666 -5.957 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -6.775 -26.206 -7.568 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -8.524 -26.215 -7.237 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -8.578 -28.833 -5.643 1.00 1.05 H new ATOM 0 HG22 VAL A 7 -9.726 -28.380 -6.924 1.00 1.05 H new ATOM 0 HG23 VAL A 7 -8.836 -29.917 -7.030 1.00 1.05 H new ATOM 124 N THR A 8 -5.550 -28.320 -9.406 1.00 0.74 N ATOM 125 CA THR A 8 -4.304 -27.931 -10.124 1.00 1.05 C ATOM 126 C THR A 8 -4.537 -28.019 -11.634 1.00 1.24 C ATOM 127 O THR A 8 -3.858 -27.381 -12.415 1.00 1.68 O ATOM 128 CB THR A 8 -3.169 -28.878 -9.727 1.00 1.33 C ATOM 129 OG1 THR A 8 -3.505 -30.203 -10.113 1.00 1.93 O ATOM 130 CG2 THR A 8 -2.962 -28.822 -8.213 1.00 1.03 C ATOM 0 H THR A 8 -5.426 -29.004 -8.659 1.00 0.74 H new ATOM 0 HA THR A 8 -4.035 -26.909 -9.857 1.00 1.05 H new ATOM 0 HB THR A 8 -2.249 -28.575 -10.228 1.00 1.33 H new ATOM 0 HG1 THR A 8 -2.695 -30.678 -10.393 1.00 1.93 H new ATOM 0 HG21 THR A 8 -2.154 -29.497 -7.931 1.00 1.03 H new ATOM 0 HG22 THR A 8 -2.705 -27.805 -7.918 1.00 1.03 H new ATOM 0 HG23 THR A 8 -3.880 -29.125 -7.709 1.00 1.03 H new ATOM 138 N GLY A 9 -5.491 -28.805 -12.052 1.00 1.25 N ATOM 139 CA GLY A 9 -5.766 -28.933 -13.511 1.00 1.55 C ATOM 140 C GLY A 9 -6.073 -27.554 -14.097 1.00 1.72 C ATOM 141 O GLY A 9 -5.455 -27.122 -15.049 1.00 2.51 O ATOM 0 H GLY A 9 -6.092 -29.364 -11.446 1.00 1.25 H new ATOM 0 HA2 GLY A 9 -4.905 -29.371 -14.017 1.00 1.55 H new ATOM 0 HA3 GLY A 9 -6.608 -29.605 -13.675 1.00 1.55 H new ATOM 145 N LYS A 10 -7.025 -26.859 -13.536 1.00 1.23 N ATOM 146 CA LYS A 10 -7.372 -25.509 -14.063 1.00 1.42 C ATOM 147 C LYS A 10 -7.788 -24.601 -12.904 1.00 1.27 C ATOM 148 O LYS A 10 -8.908 -24.135 -12.839 1.00 2.03 O ATOM 149 CB LYS A 10 -8.529 -25.631 -15.057 1.00 1.76 C ATOM 150 CG LYS A 10 -8.210 -26.722 -16.081 1.00 1.94 C ATOM 151 CD LYS A 10 -8.927 -26.413 -17.397 1.00 1.99 C ATOM 152 CE LYS A 10 -10.407 -26.141 -17.121 1.00 2.63 C ATOM 153 NZ LYS A 10 -11.241 -27.116 -17.879 1.00 3.24 N ATOM 0 H LYS A 10 -7.577 -27.168 -12.736 1.00 1.23 H new ATOM 0 HA LYS A 10 -6.505 -25.081 -14.566 1.00 1.42 H new ATOM 0 HB2 LYS A 10 -9.452 -25.872 -14.529 1.00 1.76 H new ATOM 0 HB3 LYS A 10 -8.690 -24.679 -15.563 1.00 1.76 H new ATOM 0 HG2 LYS A 10 -7.134 -26.778 -16.245 1.00 1.94 H new ATOM 0 HG3 LYS A 10 -8.525 -27.694 -15.702 1.00 1.94 H new ATOM 0 HD2 LYS A 10 -8.471 -25.547 -17.877 1.00 1.99 H new ATOM 0 HD3 LYS A 10 -8.823 -27.251 -18.086 1.00 1.99 H new ATOM 0 HE2 LYS A 10 -10.610 -26.225 -16.053 1.00 2.63 H new ATOM 0 HE3 LYS A 10 -10.662 -25.123 -17.415 1.00 2.63 H new ATOM 0 HZ1 LYS A 10 -12.247 -26.932 -17.692 1.00 3.24 H new ATOM 0 HZ2 LYS A 10 -11.054 -27.015 -18.897 1.00 3.24 H new ATOM 0 HZ3 LYS A 10 -11.004 -28.083 -17.578 1.00 3.24 H new ATOM 167 N LEU A 11 -6.894 -24.345 -11.989 1.00 0.75 N ATOM 168 CA LEU A 11 -7.238 -23.467 -10.835 1.00 0.71 C ATOM 169 C LEU A 11 -7.952 -22.212 -11.343 1.00 0.97 C ATOM 170 O LEU A 11 -9.090 -21.954 -11.003 1.00 1.65 O ATOM 171 CB LEU A 11 -5.957 -23.062 -10.102 1.00 0.88 C ATOM 172 CG LEU A 11 -5.345 -24.291 -9.428 1.00 0.64 C ATOM 173 CD1 LEU A 11 -3.827 -24.123 -9.341 1.00 1.11 C ATOM 174 CD2 LEU A 11 -5.921 -24.438 -8.018 1.00 1.44 C ATOM 0 H LEU A 11 -5.940 -24.706 -11.991 1.00 0.75 H new ATOM 0 HA LEU A 11 -7.893 -24.007 -10.151 1.00 0.71 H new ATOM 0 HB2 LEU A 11 -5.246 -22.627 -10.804 1.00 0.88 H new ATOM 0 HB3 LEU A 11 -6.178 -22.298 -9.357 1.00 0.88 H new ATOM 0 HG LEU A 11 -5.580 -25.180 -10.013 1.00 0.64 H new ATOM 0 HD11 LEU A 11 -3.391 -24.999 -8.861 1.00 1.11 H new ATOM 0 HD12 LEU A 11 -3.415 -24.016 -10.344 1.00 1.11 H new ATOM 0 HD13 LEU A 11 -3.592 -23.234 -8.756 1.00 1.11 H new ATOM 0 HD21 LEU A 11 -5.486 -25.314 -7.537 1.00 1.44 H new ATOM 0 HD22 LEU A 11 -5.685 -23.548 -7.434 1.00 1.44 H new ATOM 0 HD23 LEU A 11 -7.003 -24.557 -8.077 1.00 1.44 H new ATOM 186 N ASP A 12 -7.294 -21.430 -12.154 1.00 1.29 N ATOM 187 CA ASP A 12 -7.936 -20.193 -12.681 1.00 1.51 C ATOM 188 C ASP A 12 -7.223 -19.754 -13.962 1.00 1.32 C ATOM 189 O ASP A 12 -6.020 -19.581 -13.986 1.00 2.04 O ATOM 190 CB ASP A 12 -7.837 -19.081 -11.635 1.00 2.12 C ATOM 191 CG ASP A 12 -9.220 -18.819 -11.035 1.00 2.92 C ATOM 192 OD1 ASP A 12 -10.180 -18.818 -11.788 1.00 3.45 O ATOM 193 OD2 ASP A 12 -9.296 -18.623 -9.833 1.00 3.51 O ATOM 0 H ASP A 12 -6.340 -21.594 -12.474 1.00 1.29 H new ATOM 0 HA ASP A 12 -8.985 -20.393 -12.900 1.00 1.51 H new ATOM 0 HB2 ASP A 12 -7.137 -19.367 -10.850 1.00 2.12 H new ATOM 0 HB3 ASP A 12 -7.449 -18.171 -12.092 1.00 2.12 H new ATOM 198 N LYS A 13 -7.955 -19.571 -15.027 1.00 1.10 N ATOM 199 CA LYS A 13 -7.319 -19.144 -16.305 1.00 1.12 C ATOM 200 C LYS A 13 -8.219 -18.128 -17.009 1.00 1.43 C ATOM 201 O LYS A 13 -9.409 -18.328 -17.145 1.00 2.16 O ATOM 202 CB LYS A 13 -7.121 -20.363 -17.209 1.00 1.35 C ATOM 203 CG LYS A 13 -6.328 -21.434 -16.458 1.00 1.49 C ATOM 204 CD LYS A 13 -5.099 -21.830 -17.279 1.00 1.61 C ATOM 205 CE LYS A 13 -4.225 -22.783 -16.462 1.00 1.52 C ATOM 206 NZ LYS A 13 -2.819 -22.708 -16.949 1.00 1.66 N ATOM 0 H LYS A 13 -8.966 -19.699 -15.067 1.00 1.10 H new ATOM 0 HA LYS A 13 -6.352 -18.687 -16.094 1.00 1.12 H new ATOM 0 HB2 LYS A 13 -8.088 -20.761 -17.517 1.00 1.35 H new ATOM 0 HB3 LYS A 13 -6.592 -20.073 -18.117 1.00 1.35 H new ATOM 0 HG2 LYS A 13 -6.021 -21.057 -15.483 1.00 1.49 H new ATOM 0 HG3 LYS A 13 -6.955 -22.307 -16.279 1.00 1.49 H new ATOM 0 HD2 LYS A 13 -5.408 -22.309 -18.208 1.00 1.61 H new ATOM 0 HD3 LYS A 13 -4.530 -20.942 -17.553 1.00 1.61 H new ATOM 0 HE2 LYS A 13 -4.270 -22.519 -15.405 1.00 1.52 H new ATOM 0 HE3 LYS A 13 -4.598 -23.803 -16.552 1.00 1.52 H new ATOM 0 HZ1 LYS A 13 -2.224 -23.356 -16.394 1.00 1.66 H new ATOM 0 HZ2 LYS A 13 -2.784 -22.980 -17.952 1.00 1.66 H new ATOM 0 HZ3 LYS A 13 -2.466 -21.736 -16.841 1.00 1.66 H new ATOM 220 N THR A 14 -7.657 -17.038 -17.455 1.00 1.58 N ATOM 221 CA THR A 14 -8.474 -16.006 -18.151 1.00 1.99 C ATOM 222 C THR A 14 -9.720 -15.697 -17.324 1.00 1.47 C ATOM 223 O THR A 14 -10.836 -15.832 -17.785 1.00 1.81 O ATOM 224 CB THR A 14 -8.879 -16.520 -19.532 1.00 2.73 C ATOM 225 OG1 THR A 14 -9.503 -17.790 -19.404 1.00 3.07 O ATOM 226 CG2 THR A 14 -7.629 -16.646 -20.403 1.00 3.15 C ATOM 0 H THR A 14 -6.665 -16.818 -17.367 1.00 1.58 H new ATOM 0 HA THR A 14 -7.888 -15.095 -18.267 1.00 1.99 H new ATOM 0 HB THR A 14 -9.579 -15.824 -19.993 1.00 2.73 H new ATOM 0 HG1 THR A 14 -9.972 -17.839 -18.545 1.00 3.07 H new ATOM 0 HG21 THR A 14 -7.909 -17.012 -21.391 1.00 3.15 H new ATOM 0 HG22 THR A 14 -7.153 -15.670 -20.500 1.00 3.15 H new ATOM 0 HG23 THR A 14 -6.932 -17.345 -19.941 1.00 3.15 H new ATOM 234 N THR A 15 -9.534 -15.280 -16.103 1.00 1.00 N ATOM 235 CA THR A 15 -10.701 -14.956 -15.239 1.00 0.95 C ATOM 236 C THR A 15 -10.210 -14.261 -13.962 1.00 0.72 C ATOM 237 O THR A 15 -9.656 -14.900 -13.090 1.00 0.61 O ATOM 238 CB THR A 15 -11.430 -16.249 -14.865 1.00 1.63 C ATOM 239 OG1 THR A 15 -12.113 -16.752 -16.005 1.00 2.28 O ATOM 240 CG2 THR A 15 -12.437 -15.966 -13.749 1.00 1.79 C ATOM 0 H THR A 15 -8.622 -15.150 -15.666 1.00 1.00 H new ATOM 0 HA THR A 15 -11.382 -14.295 -15.776 1.00 0.95 H new ATOM 0 HB THR A 15 -10.706 -16.987 -14.519 1.00 1.63 H new ATOM 0 HG1 THR A 15 -11.906 -16.194 -16.783 1.00 2.28 H new ATOM 0 HG21 THR A 15 -12.955 -16.888 -13.484 1.00 1.79 H new ATOM 0 HG22 THR A 15 -11.912 -15.580 -12.875 1.00 1.79 H new ATOM 0 HG23 THR A 15 -13.162 -15.228 -14.092 1.00 1.79 H new ATOM 248 N PRO A 16 -10.426 -12.970 -13.889 1.00 0.75 N ATOM 249 CA PRO A 16 -10.011 -12.165 -12.726 1.00 0.67 C ATOM 250 C PRO A 16 -10.974 -12.379 -11.555 1.00 0.68 C ATOM 251 O PRO A 16 -12.148 -12.078 -11.639 1.00 0.97 O ATOM 252 CB PRO A 16 -10.082 -10.725 -13.242 1.00 0.90 C ATOM 253 CG PRO A 16 -11.051 -10.741 -14.447 1.00 1.08 C ATOM 254 CD PRO A 16 -11.102 -12.196 -14.950 1.00 0.99 C ATOM 0 HA PRO A 16 -9.021 -12.428 -12.352 1.00 0.67 H new ATOM 0 HB2 PRO A 16 -10.441 -10.051 -12.464 1.00 0.90 H new ATOM 0 HB3 PRO A 16 -9.096 -10.370 -13.541 1.00 0.90 H new ATOM 0 HG2 PRO A 16 -12.043 -10.398 -14.152 1.00 1.08 H new ATOM 0 HG3 PRO A 16 -10.703 -10.071 -15.233 1.00 1.08 H new ATOM 0 HD2 PRO A 16 -12.129 -12.532 -15.095 1.00 0.99 H new ATOM 0 HD3 PRO A 16 -10.593 -12.304 -15.908 1.00 0.99 H new ATOM 262 N GLY A 17 -10.484 -12.901 -10.464 1.00 0.49 N ATOM 263 CA GLY A 17 -11.365 -13.138 -9.286 1.00 0.51 C ATOM 264 C GLY A 17 -10.608 -13.973 -8.254 1.00 0.45 C ATOM 265 O GLY A 17 -9.418 -13.811 -8.068 1.00 0.72 O ATOM 0 H GLY A 17 -9.509 -13.174 -10.338 1.00 0.49 H new ATOM 0 HA2 GLY A 17 -11.672 -12.188 -8.849 1.00 0.51 H new ATOM 0 HA3 GLY A 17 -12.274 -13.655 -9.594 1.00 0.51 H new ATOM 269 N ILE A 18 -11.280 -14.868 -7.584 1.00 0.45 N ATOM 270 CA ILE A 18 -10.580 -15.707 -6.572 1.00 0.37 C ATOM 271 C ILE A 18 -11.357 -17.001 -6.334 1.00 0.44 C ATOM 272 O ILE A 18 -12.571 -17.015 -6.287 1.00 0.69 O ATOM 273 CB ILE A 18 -10.468 -14.943 -5.249 1.00 0.52 C ATOM 274 CG1 ILE A 18 -11.837 -14.902 -4.567 1.00 0.98 C ATOM 275 CG2 ILE A 18 -9.988 -13.516 -5.510 1.00 0.55 C ATOM 276 CD1 ILE A 18 -11.714 -14.189 -3.222 1.00 0.62 C ATOM 0 H ILE A 18 -12.277 -15.054 -7.692 1.00 0.45 H new ATOM 0 HA ILE A 18 -9.584 -15.944 -6.946 1.00 0.37 H new ATOM 0 HB ILE A 18 -9.751 -15.450 -4.603 1.00 0.52 H new ATOM 0 HG12 ILE A 18 -12.556 -14.383 -5.201 1.00 0.98 H new ATOM 0 HG13 ILE A 18 -12.213 -15.915 -4.421 1.00 0.98 H new ATOM 0 HG21 ILE A 18 -9.911 -12.979 -4.564 1.00 0.55 H new ATOM 0 HG22 ILE A 18 -9.011 -13.543 -5.992 1.00 0.55 H new ATOM 0 HG23 ILE A 18 -10.699 -13.006 -6.160 1.00 0.55 H new ATOM 0 HD11 ILE A 18 -12.689 -14.159 -2.735 1.00 0.62 H new ATOM 0 HD12 ILE A 18 -11.008 -14.726 -2.588 1.00 0.62 H new ATOM 0 HD13 ILE A 18 -11.357 -13.172 -3.381 1.00 0.62 H new ATOM 288 N GLN A 19 -10.658 -18.083 -6.157 1.00 0.44 N ATOM 289 CA GLN A 19 -11.331 -19.383 -5.890 1.00 0.54 C ATOM 290 C GLN A 19 -10.822 -19.907 -4.549 1.00 0.52 C ATOM 291 O GLN A 19 -9.672 -20.269 -4.416 1.00 0.92 O ATOM 292 CB GLN A 19 -10.988 -20.380 -6.999 1.00 0.61 C ATOM 293 CG GLN A 19 -11.769 -21.677 -6.781 1.00 1.35 C ATOM 294 CD GLN A 19 -10.884 -22.874 -7.134 1.00 1.80 C ATOM 295 OE1 GLN A 19 -11.104 -23.968 -6.654 1.00 2.70 O ATOM 296 NE2 GLN A 19 -9.885 -22.713 -7.959 1.00 1.39 N ATOM 0 H GLN A 19 -9.639 -18.124 -6.186 1.00 0.44 H new ATOM 0 HA GLN A 19 -12.413 -19.253 -5.862 1.00 0.54 H new ATOM 0 HB2 GLN A 19 -11.233 -19.955 -7.973 1.00 0.61 H new ATOM 0 HB3 GLN A 19 -9.917 -20.584 -7.000 1.00 0.61 H new ATOM 0 HG2 GLN A 19 -12.096 -21.747 -5.743 1.00 1.35 H new ATOM 0 HG3 GLN A 19 -12.667 -21.681 -7.399 1.00 1.35 H new ATOM 0 HE21 GLN A 19 -9.700 -21.795 -8.362 1.00 1.39 H new ATOM 0 HE22 GLN A 19 -9.290 -23.506 -8.200 1.00 1.39 H new ATOM 305 N ILE A 20 -11.655 -19.938 -3.546 1.00 0.19 N ATOM 306 CA ILE A 20 -11.181 -20.421 -2.219 1.00 0.18 C ATOM 307 C ILE A 20 -11.363 -21.925 -2.117 1.00 0.20 C ATOM 308 O ILE A 20 -11.900 -22.554 -2.997 1.00 0.31 O ATOM 309 CB ILE A 20 -11.990 -19.770 -1.092 1.00 0.20 C ATOM 310 CG1 ILE A 20 -12.338 -18.328 -1.453 1.00 0.37 C ATOM 311 CG2 ILE A 20 -11.174 -19.778 0.201 1.00 0.29 C ATOM 312 CD1 ILE A 20 -13.342 -17.800 -0.432 1.00 0.61 C ATOM 0 H ILE A 20 -12.634 -19.653 -3.586 1.00 0.19 H new ATOM 0 HA ILE A 20 -10.128 -20.158 -2.123 1.00 0.18 H new ATOM 0 HB ILE A 20 -12.910 -20.338 -0.953 1.00 0.20 H new ATOM 0 HG12 ILE A 20 -11.440 -17.711 -1.454 1.00 0.37 H new ATOM 0 HG13 ILE A 20 -12.759 -18.280 -2.457 1.00 0.37 H new ATOM 0 HG21 ILE A 20 -11.753 -19.314 1.000 1.00 0.29 H new ATOM 0 HG22 ILE A 20 -10.936 -20.806 0.475 1.00 0.29 H new ATOM 0 HG23 ILE A 20 -10.250 -19.220 0.052 1.00 0.29 H new ATOM 0 HD11 ILE A 20 -13.601 -16.770 -0.676 1.00 0.61 H new ATOM 0 HD12 ILE A 20 -14.241 -18.416 -0.454 1.00 0.61 H new ATOM 0 HD13 ILE A 20 -12.901 -17.837 0.564 1.00 0.61 H new ATOM 324 N TRP A 21 -10.940 -22.491 -1.024 1.00 0.22 N ATOM 325 CA TRP A 21 -11.111 -23.948 -0.804 1.00 0.23 C ATOM 326 C TRP A 21 -11.546 -24.136 0.646 1.00 0.23 C ATOM 327 O TRP A 21 -10.836 -23.770 1.562 1.00 0.27 O ATOM 328 CB TRP A 21 -9.796 -24.685 -1.047 1.00 0.26 C ATOM 329 CG TRP A 21 -9.644 -24.950 -2.506 1.00 0.26 C ATOM 330 CD1 TRP A 21 -10.044 -26.075 -3.144 1.00 0.31 C ATOM 331 CD2 TRP A 21 -9.062 -24.086 -3.519 1.00 0.27 C ATOM 332 NE1 TRP A 21 -9.737 -25.954 -4.490 1.00 0.33 N ATOM 333 CE2 TRP A 21 -9.129 -24.743 -4.768 1.00 0.29 C ATOM 334 CE3 TRP A 21 -8.486 -22.807 -3.469 1.00 0.32 C ATOM 335 CZ2 TRP A 21 -8.639 -24.147 -5.932 1.00 0.31 C ATOM 336 CZ3 TRP A 21 -7.991 -22.204 -4.636 1.00 0.36 C ATOM 337 CH2 TRP A 21 -8.068 -22.873 -5.865 1.00 0.34 C ATOM 0 H TRP A 21 -10.476 -21.996 -0.263 1.00 0.22 H new ATOM 0 HA TRP A 21 -11.852 -24.352 -1.494 1.00 0.23 H new ATOM 0 HB2 TRP A 21 -8.959 -24.088 -0.685 1.00 0.26 H new ATOM 0 HB3 TRP A 21 -9.783 -25.623 -0.492 1.00 0.26 H new ATOM 0 HD1 TRP A 21 -10.523 -26.925 -2.681 1.00 0.31 H new ATOM 0 HE1 TRP A 21 -9.935 -26.670 -5.189 1.00 0.33 H new ATOM 0 HE3 TRP A 21 -8.423 -22.283 -2.527 1.00 0.32 H new ATOM 0 HZ2 TRP A 21 -8.701 -24.667 -6.877 1.00 0.31 H new ATOM 0 HZ3 TRP A 21 -7.549 -21.220 -4.586 1.00 0.36 H new ATOM 0 HH2 TRP A 21 -7.686 -22.404 -6.760 1.00 0.34 H new ATOM 348 N ARG A 22 -12.711 -24.673 0.870 1.00 0.24 N ATOM 349 CA ARG A 22 -13.180 -24.838 2.272 1.00 0.26 C ATOM 350 C ARG A 22 -12.508 -26.049 2.913 1.00 0.29 C ATOM 351 O ARG A 22 -12.412 -27.112 2.331 1.00 0.39 O ATOM 352 CB ARG A 22 -14.702 -25.015 2.299 1.00 0.31 C ATOM 353 CG ARG A 22 -15.117 -26.146 1.356 1.00 1.29 C ATOM 354 CD ARG A 22 -16.367 -25.724 0.580 1.00 1.56 C ATOM 355 NE ARG A 22 -17.529 -26.544 1.025 1.00 1.56 N ATOM 356 CZ ARG A 22 -18.705 -25.992 1.154 1.00 1.68 C ATOM 357 NH1 ARG A 22 -18.867 -24.985 1.968 1.00 2.33 N ATOM 358 NH2 ARG A 22 -19.718 -26.447 0.469 1.00 1.96 N ATOM 0 H ARG A 22 -13.354 -25.002 0.150 1.00 0.24 H new ATOM 0 HA ARG A 22 -12.914 -23.945 2.837 1.00 0.26 H new ATOM 0 HB2 ARG A 22 -15.032 -25.238 3.314 1.00 0.31 H new ATOM 0 HB3 ARG A 22 -15.189 -24.086 2.002 1.00 0.31 H new ATOM 0 HG2 ARG A 22 -14.306 -26.375 0.665 1.00 1.29 H new ATOM 0 HG3 ARG A 22 -15.317 -27.054 1.925 1.00 1.29 H new ATOM 0 HD2 ARG A 22 -16.571 -24.666 0.745 1.00 1.56 H new ATOM 0 HD3 ARG A 22 -16.205 -25.854 -0.490 1.00 1.56 H new ATOM 0 HE ARG A 22 -17.406 -27.536 1.229 1.00 1.56 H new ATOM 0 HH11 ARG A 22 -18.075 -24.629 2.503 1.00 2.33 H new ATOM 0 HH12 ARG A 22 -19.786 -24.554 2.069 1.00 2.33 H new ATOM 0 HH21 ARG A 22 -19.591 -27.234 -0.167 1.00 1.96 H new ATOM 0 HH22 ARG A 22 -20.637 -26.016 0.570 1.00 1.96 H new ATOM 372 N ILE A 23 -12.044 -25.880 4.119 1.00 0.32 N ATOM 373 CA ILE A 23 -11.372 -26.993 4.841 1.00 0.39 C ATOM 374 C ILE A 23 -12.332 -27.529 5.904 1.00 0.54 C ATOM 375 O ILE A 23 -11.927 -27.986 6.955 1.00 0.80 O ATOM 376 CB ILE A 23 -10.103 -26.453 5.508 1.00 0.46 C ATOM 377 CG1 ILE A 23 -9.171 -25.866 4.438 1.00 0.89 C ATOM 378 CG2 ILE A 23 -9.388 -27.579 6.255 1.00 0.42 C ATOM 379 CD1 ILE A 23 -8.433 -26.992 3.705 1.00 0.48 C ATOM 0 H ILE A 23 -12.103 -25.006 4.641 1.00 0.32 H new ATOM 0 HA ILE A 23 -11.104 -27.794 4.152 1.00 0.39 H new ATOM 0 HB ILE A 23 -10.375 -25.673 6.219 1.00 0.46 H new ATOM 0 HG12 ILE A 23 -9.748 -25.276 3.726 1.00 0.89 H new ATOM 0 HG13 ILE A 23 -8.452 -25.191 4.902 1.00 0.89 H new ATOM 0 HG21 ILE A 23 -8.487 -27.188 6.727 1.00 0.42 H new ATOM 0 HG22 ILE A 23 -10.050 -27.986 7.019 1.00 0.42 H new ATOM 0 HG23 ILE A 23 -9.117 -28.367 5.552 1.00 0.42 H new ATOM 0 HD11 ILE A 23 -7.775 -26.564 2.949 1.00 0.48 H new ATOM 0 HD12 ILE A 23 -7.841 -27.564 4.419 1.00 0.48 H new ATOM 0 HD13 ILE A 23 -9.158 -27.650 3.225 1.00 0.48 H new ATOM 391 N GLU A 24 -13.609 -27.462 5.635 1.00 0.63 N ATOM 392 CA GLU A 24 -14.618 -27.950 6.618 1.00 0.84 C ATOM 393 C GLU A 24 -14.354 -29.418 6.948 1.00 0.90 C ATOM 394 O GLU A 24 -13.604 -30.093 6.272 1.00 1.59 O ATOM 395 CB GLU A 24 -16.022 -27.805 6.026 1.00 1.27 C ATOM 396 CG GLU A 24 -16.059 -28.426 4.629 1.00 1.54 C ATOM 397 CD GLU A 24 -16.975 -27.597 3.727 1.00 1.92 C ATOM 398 OE1 GLU A 24 -16.751 -26.402 3.625 1.00 2.21 O ATOM 399 OE2 GLU A 24 -17.887 -28.171 3.155 1.00 2.63 O ATOM 0 H GLU A 24 -13.998 -27.087 4.770 1.00 0.63 H new ATOM 0 HA GLU A 24 -14.544 -27.358 7.530 1.00 0.84 H new ATOM 0 HB2 GLU A 24 -16.752 -28.294 6.671 1.00 1.27 H new ATOM 0 HB3 GLU A 24 -16.298 -26.752 5.974 1.00 1.27 H new ATOM 0 HG2 GLU A 24 -15.054 -28.463 4.209 1.00 1.54 H new ATOM 0 HG3 GLU A 24 -16.419 -29.453 4.685 1.00 1.54 H new ATOM 406 N ASN A 25 -14.965 -29.914 7.991 1.00 1.19 N ATOM 407 CA ASN A 25 -14.753 -31.336 8.381 1.00 1.57 C ATOM 408 C ASN A 25 -13.269 -31.682 8.254 1.00 1.31 C ATOM 409 O ASN A 25 -12.902 -32.822 8.046 1.00 1.83 O ATOM 410 CB ASN A 25 -15.576 -32.251 7.472 1.00 2.03 C ATOM 411 CG ASN A 25 -14.975 -32.257 6.067 1.00 1.97 C ATOM 412 OD1 ASN A 25 -13.920 -32.817 5.850 1.00 2.28 O ATOM 413 ND2 ASN A 25 -15.608 -31.657 5.097 1.00 2.29 N ATOM 0 H ASN A 25 -15.604 -29.392 8.591 1.00 1.19 H new ATOM 0 HA ASN A 25 -15.072 -31.479 9.413 1.00 1.57 H new ATOM 0 HB2 ASN A 25 -15.591 -33.263 7.876 1.00 2.03 H new ATOM 0 HB3 ASN A 25 -16.610 -31.908 7.434 1.00 2.03 H new ATOM 0 HD21 ASN A 25 -15.217 -31.658 4.155 1.00 2.29 H new ATOM 0 HD22 ASN A 25 -16.494 -31.187 5.280 1.00 2.29 H new ATOM 420 N MET A 26 -12.412 -30.707 8.387 1.00 0.81 N ATOM 421 CA MET A 26 -10.953 -30.978 8.283 1.00 0.66 C ATOM 422 C MET A 26 -10.636 -31.605 6.922 1.00 0.70 C ATOM 423 O MET A 26 -10.027 -32.653 6.838 1.00 0.98 O ATOM 424 CB MET A 26 -10.542 -31.938 9.402 1.00 0.80 C ATOM 425 CG MET A 26 -11.324 -31.600 10.675 1.00 0.83 C ATOM 426 SD MET A 26 -10.677 -30.070 11.393 1.00 1.75 S ATOM 427 CE MET A 26 -8.970 -30.629 11.612 1.00 1.85 C ATOM 0 H MET A 26 -12.661 -29.734 8.563 1.00 0.81 H new ATOM 0 HA MET A 26 -10.400 -30.043 8.379 1.00 0.66 H new ATOM 0 HB2 MET A 26 -10.739 -32.968 9.104 1.00 0.80 H new ATOM 0 HB3 MET A 26 -9.471 -31.860 9.588 1.00 0.80 H new ATOM 0 HG2 MET A 26 -12.383 -31.486 10.444 1.00 0.83 H new ATOM 0 HG3 MET A 26 -11.240 -32.415 11.393 1.00 0.83 H new ATOM 0 HE1 MET A 26 -8.539 -30.147 12.490 1.00 1.85 H new ATOM 0 HE2 MET A 26 -8.956 -31.710 11.748 1.00 1.85 H new ATOM 0 HE3 MET A 26 -8.385 -30.367 10.730 1.00 1.85 H new ATOM 437 N GLU A 27 -11.039 -30.968 5.854 1.00 0.62 N ATOM 438 CA GLU A 27 -10.753 -31.526 4.500 1.00 0.66 C ATOM 439 C GLU A 27 -10.849 -30.409 3.460 1.00 0.66 C ATOM 440 O GLU A 27 -11.788 -29.638 3.449 1.00 1.40 O ATOM 441 CB GLU A 27 -11.769 -32.619 4.165 1.00 0.75 C ATOM 442 CG GLU A 27 -11.624 -33.775 5.157 1.00 1.23 C ATOM 443 CD GLU A 27 -12.493 -34.949 4.703 1.00 1.60 C ATOM 444 OE1 GLU A 27 -13.691 -34.759 4.574 1.00 2.19 O ATOM 445 OE2 GLU A 27 -11.946 -36.019 4.492 1.00 2.23 O ATOM 0 H GLU A 27 -11.553 -30.087 5.861 1.00 0.62 H new ATOM 0 HA GLU A 27 -9.750 -31.952 4.491 1.00 0.66 H new ATOM 0 HB2 GLU A 27 -12.780 -32.215 4.207 1.00 0.75 H new ATOM 0 HB3 GLU A 27 -11.611 -32.977 3.148 1.00 0.75 H new ATOM 0 HG2 GLU A 27 -10.581 -34.084 5.221 1.00 1.23 H new ATOM 0 HG3 GLU A 27 -11.923 -33.452 6.154 1.00 1.23 H new ATOM 452 N MET A 28 -9.885 -30.314 2.587 1.00 0.64 N ATOM 453 CA MET A 28 -9.923 -29.243 1.552 1.00 0.53 C ATOM 454 C MET A 28 -11.092 -29.486 0.599 1.00 0.46 C ATOM 455 O MET A 28 -11.478 -30.608 0.337 1.00 0.67 O ATOM 456 CB MET A 28 -8.611 -29.245 0.764 1.00 0.73 C ATOM 457 CG MET A 28 -8.194 -27.805 0.464 1.00 1.01 C ATOM 458 SD MET A 28 -7.509 -27.710 -1.209 1.00 1.23 S ATOM 459 CE MET A 28 -7.127 -25.941 -1.198 1.00 1.21 C ATOM 0 H MET A 28 -9.074 -30.931 2.545 1.00 0.64 H new ATOM 0 HA MET A 28 -10.052 -28.277 2.040 1.00 0.53 H new ATOM 0 HB2 MET A 28 -7.832 -29.749 1.336 1.00 0.73 H new ATOM 0 HB3 MET A 28 -8.734 -29.801 -0.166 1.00 0.73 H new ATOM 0 HG2 MET A 28 -9.053 -27.140 0.555 1.00 1.01 H new ATOM 0 HG3 MET A 28 -7.454 -27.471 1.191 1.00 1.01 H new ATOM 0 HE1 MET A 28 -7.389 -25.506 -2.162 1.00 1.21 H new ATOM 0 HE2 MET A 28 -7.699 -25.450 -0.411 1.00 1.21 H new ATOM 0 HE3 MET A 28 -6.062 -25.800 -1.014 1.00 1.21 H new ATOM 469 N VAL A 29 -11.659 -28.432 0.088 1.00 0.29 N ATOM 470 CA VAL A 29 -12.810 -28.569 -0.843 1.00 0.29 C ATOM 471 C VAL A 29 -12.837 -27.335 -1.748 1.00 0.26 C ATOM 472 O VAL A 29 -12.463 -26.263 -1.326 1.00 0.23 O ATOM 473 CB VAL A 29 -14.092 -28.685 -0.005 1.00 0.38 C ATOM 474 CG1 VAL A 29 -15.307 -28.106 -0.743 1.00 0.47 C ATOM 475 CG2 VAL A 29 -14.344 -30.160 0.293 1.00 0.48 C ATOM 0 H VAL A 29 -11.371 -27.472 0.277 1.00 0.29 H new ATOM 0 HA VAL A 29 -12.726 -29.457 -1.469 1.00 0.29 H new ATOM 0 HB VAL A 29 -13.957 -28.116 0.915 1.00 0.38 H new ATOM 0 HG11 VAL A 29 -16.194 -28.207 -0.118 1.00 0.47 H new ATOM 0 HG12 VAL A 29 -15.133 -27.052 -0.959 1.00 0.47 H new ATOM 0 HG13 VAL A 29 -15.458 -28.648 -1.677 1.00 0.47 H new ATOM 0 HG21 VAL A 29 -15.252 -30.261 0.888 1.00 0.48 H new ATOM 0 HG22 VAL A 29 -14.461 -30.705 -0.643 1.00 0.48 H new ATOM 0 HG23 VAL A 29 -13.499 -30.569 0.848 1.00 0.48 H new ATOM 485 N PRO A 30 -13.259 -27.524 -2.970 1.00 0.36 N ATOM 486 CA PRO A 30 -13.317 -26.435 -3.962 1.00 0.42 C ATOM 487 C PRO A 30 -14.447 -25.442 -3.661 1.00 0.47 C ATOM 488 O PRO A 30 -15.616 -25.746 -3.784 1.00 0.87 O ATOM 489 CB PRO A 30 -13.548 -27.165 -5.289 1.00 0.58 C ATOM 490 CG PRO A 30 -14.148 -28.542 -4.928 1.00 0.61 C ATOM 491 CD PRO A 30 -13.722 -28.834 -3.478 1.00 0.47 C ATOM 0 HA PRO A 30 -12.411 -25.828 -3.965 1.00 0.42 H new ATOM 0 HB2 PRO A 30 -14.226 -26.601 -5.930 1.00 0.58 H new ATOM 0 HB3 PRO A 30 -12.613 -27.280 -5.837 1.00 0.58 H new ATOM 0 HG2 PRO A 30 -15.234 -28.528 -5.019 1.00 0.61 H new ATOM 0 HG3 PRO A 30 -13.781 -29.315 -5.604 1.00 0.61 H new ATOM 0 HD2 PRO A 30 -14.553 -29.220 -2.888 1.00 0.47 H new ATOM 0 HD3 PRO A 30 -12.929 -29.581 -3.438 1.00 0.47 H new ATOM 499 N VAL A 31 -14.079 -24.246 -3.285 1.00 0.33 N ATOM 500 CA VAL A 31 -15.084 -23.182 -2.984 1.00 0.34 C ATOM 501 C VAL A 31 -15.079 -22.158 -4.128 1.00 0.41 C ATOM 502 O VAL A 31 -14.228 -21.286 -4.170 1.00 0.46 O ATOM 503 CB VAL A 31 -14.702 -22.465 -1.683 1.00 0.29 C ATOM 504 CG1 VAL A 31 -15.509 -21.171 -1.552 1.00 0.44 C ATOM 505 CG2 VAL A 31 -15.001 -23.364 -0.485 1.00 0.48 C ATOM 0 H VAL A 31 -13.108 -23.956 -3.172 1.00 0.33 H new ATOM 0 HA VAL A 31 -16.071 -23.633 -2.879 1.00 0.34 H new ATOM 0 HB VAL A 31 -13.637 -22.234 -1.707 1.00 0.29 H new ATOM 0 HG11 VAL A 31 -15.236 -20.664 -0.627 1.00 0.44 H new ATOM 0 HG12 VAL A 31 -15.294 -20.521 -2.400 1.00 0.44 H new ATOM 0 HG13 VAL A 31 -16.573 -21.406 -1.536 1.00 0.44 H new ATOM 0 HG21 VAL A 31 -14.727 -22.847 0.435 1.00 0.48 H new ATOM 0 HG22 VAL A 31 -16.065 -23.601 -0.465 1.00 0.48 H new ATOM 0 HG23 VAL A 31 -14.425 -24.286 -0.569 1.00 0.48 H new ATOM 515 N PRO A 32 -16.028 -22.288 -5.020 1.00 0.45 N ATOM 516 CA PRO A 32 -16.157 -21.384 -6.176 1.00 0.53 C ATOM 517 C PRO A 32 -16.781 -20.052 -5.747 1.00 0.56 C ATOM 518 O PRO A 32 -16.766 -19.695 -4.585 1.00 0.53 O ATOM 519 CB PRO A 32 -17.088 -22.143 -7.125 1.00 0.61 C ATOM 520 CG PRO A 32 -17.878 -23.145 -6.250 1.00 0.60 C ATOM 521 CD PRO A 32 -17.058 -23.345 -4.962 1.00 0.48 C ATOM 0 HA PRO A 32 -15.200 -21.136 -6.635 1.00 0.53 H new ATOM 0 HB2 PRO A 32 -17.763 -21.458 -7.637 1.00 0.61 H new ATOM 0 HB3 PRO A 32 -16.518 -22.664 -7.894 1.00 0.61 H new ATOM 0 HG2 PRO A 32 -18.872 -22.760 -6.021 1.00 0.60 H new ATOM 0 HG3 PRO A 32 -18.016 -24.092 -6.773 1.00 0.60 H new ATOM 0 HD2 PRO A 32 -17.681 -23.245 -4.074 1.00 0.48 H new ATOM 0 HD3 PRO A 32 -16.609 -24.337 -4.926 1.00 0.48 H new ATOM 529 N THR A 33 -17.331 -19.318 -6.674 1.00 0.66 N ATOM 530 CA THR A 33 -17.958 -18.012 -6.317 1.00 0.73 C ATOM 531 C THR A 33 -19.394 -18.256 -5.857 1.00 0.75 C ATOM 532 O THR A 33 -20.062 -17.364 -5.374 1.00 0.85 O ATOM 533 CB THR A 33 -17.976 -17.077 -7.537 1.00 0.90 C ATOM 534 OG1 THR A 33 -19.269 -17.091 -8.126 1.00 1.21 O ATOM 535 CG2 THR A 33 -16.949 -17.541 -8.569 1.00 1.05 C ATOM 0 H THR A 33 -17.374 -19.565 -7.663 1.00 0.66 H new ATOM 0 HA THR A 33 -17.379 -17.547 -5.519 1.00 0.73 H new ATOM 0 HB THR A 33 -17.728 -16.066 -7.212 1.00 0.90 H new ATOM 0 HG1 THR A 33 -19.281 -16.494 -8.903 1.00 1.21 H new ATOM 0 HG21 THR A 33 -16.970 -16.872 -9.429 1.00 1.05 H new ATOM 0 HG22 THR A 33 -15.954 -17.528 -8.123 1.00 1.05 H new ATOM 0 HG23 THR A 33 -17.189 -18.554 -8.891 1.00 1.05 H new ATOM 543 N LYS A 34 -19.878 -19.456 -6.012 1.00 0.77 N ATOM 544 CA LYS A 34 -21.273 -19.746 -5.592 1.00 0.87 C ATOM 545 C LYS A 34 -21.345 -19.820 -4.065 1.00 0.76 C ATOM 546 O LYS A 34 -22.404 -19.706 -3.480 1.00 1.00 O ATOM 547 CB LYS A 34 -21.718 -21.083 -6.189 1.00 1.10 C ATOM 548 CG LYS A 34 -22.407 -20.838 -7.533 1.00 1.84 C ATOM 549 CD LYS A 34 -22.960 -22.159 -8.072 1.00 2.33 C ATOM 550 CE LYS A 34 -24.351 -22.408 -7.486 1.00 2.68 C ATOM 551 NZ LYS A 34 -25.378 -22.220 -8.549 1.00 3.05 N ATOM 0 H LYS A 34 -19.369 -20.245 -6.410 1.00 0.77 H new ATOM 0 HA LYS A 34 -21.930 -18.952 -5.947 1.00 0.87 H new ATOM 0 HB2 LYS A 34 -20.857 -21.738 -6.324 1.00 1.10 H new ATOM 0 HB3 LYS A 34 -22.400 -21.589 -5.506 1.00 1.10 H new ATOM 0 HG2 LYS A 34 -23.214 -20.115 -7.413 1.00 1.84 H new ATOM 0 HG3 LYS A 34 -21.700 -20.411 -8.244 1.00 1.84 H new ATOM 0 HD2 LYS A 34 -23.013 -22.126 -9.160 1.00 2.33 H new ATOM 0 HD3 LYS A 34 -22.291 -22.979 -7.810 1.00 2.33 H new ATOM 0 HE2 LYS A 34 -24.411 -23.418 -7.081 1.00 2.68 H new ATOM 0 HE3 LYS A 34 -24.537 -21.722 -6.660 1.00 2.68 H new ATOM 0 HZ1 LYS A 34 -26.324 -22.389 -8.151 1.00 3.05 H new ATOM 0 HZ2 LYS A 34 -25.325 -21.248 -8.915 1.00 3.05 H new ATOM 0 HZ3 LYS A 34 -25.203 -22.892 -9.324 1.00 3.05 H new ATOM 565 N SER A 35 -20.230 -20.016 -3.413 1.00 0.60 N ATOM 566 CA SER A 35 -20.247 -20.103 -1.925 1.00 0.69 C ATOM 567 C SER A 35 -19.166 -19.195 -1.330 1.00 0.52 C ATOM 568 O SER A 35 -19.072 -19.040 -0.128 1.00 0.71 O ATOM 569 CB SER A 35 -19.985 -21.548 -1.500 1.00 0.95 C ATOM 570 OG SER A 35 -21.219 -22.253 -1.448 1.00 1.40 O ATOM 0 H SER A 35 -19.312 -20.119 -3.845 1.00 0.60 H new ATOM 0 HA SER A 35 -21.222 -19.780 -1.561 1.00 0.69 H new ATOM 0 HB2 SER A 35 -19.307 -22.029 -2.205 1.00 0.95 H new ATOM 0 HB3 SER A 35 -19.499 -21.570 -0.525 1.00 0.95 H new ATOM 0 HG SER A 35 -21.055 -23.180 -1.177 1.00 1.40 H new ATOM 576 N TYR A 36 -18.347 -18.594 -2.151 1.00 0.55 N ATOM 577 CA TYR A 36 -17.280 -17.704 -1.610 1.00 0.50 C ATOM 578 C TYR A 36 -17.915 -16.627 -0.725 1.00 0.70 C ATOM 579 O TYR A 36 -18.905 -16.020 -1.082 1.00 1.66 O ATOM 580 CB TYR A 36 -16.515 -17.049 -2.768 1.00 0.50 C ATOM 581 CG TYR A 36 -17.318 -15.905 -3.344 1.00 0.55 C ATOM 582 CD1 TYR A 36 -18.675 -16.078 -3.641 1.00 0.77 C ATOM 583 CD2 TYR A 36 -16.703 -14.670 -3.582 1.00 1.15 C ATOM 584 CE1 TYR A 36 -19.417 -15.017 -4.174 1.00 0.82 C ATOM 585 CE2 TYR A 36 -17.444 -13.609 -4.116 1.00 1.24 C ATOM 586 CZ TYR A 36 -18.801 -13.783 -4.412 1.00 0.78 C ATOM 587 OH TYR A 36 -19.532 -12.737 -4.938 1.00 0.93 O ATOM 0 H TYR A 36 -18.370 -18.680 -3.167 1.00 0.55 H new ATOM 0 HA TYR A 36 -16.582 -18.293 -1.014 1.00 0.50 H new ATOM 0 HB2 TYR A 36 -15.550 -16.684 -2.416 1.00 0.50 H new ATOM 0 HB3 TYR A 36 -16.313 -17.788 -3.544 1.00 0.50 H new ATOM 0 HD1 TYR A 36 -19.150 -17.031 -3.459 1.00 0.77 H new ATOM 0 HD2 TYR A 36 -15.656 -14.536 -3.353 1.00 1.15 H new ATOM 0 HE1 TYR A 36 -20.464 -15.151 -4.401 1.00 0.82 H new ATOM 0 HE2 TYR A 36 -16.969 -12.657 -4.299 1.00 1.24 H new ATOM 0 HH TYR A 36 -18.954 -11.952 -5.040 1.00 0.93 H new ATOM 597 N GLY A 37 -17.356 -16.389 0.429 1.00 0.62 N ATOM 598 CA GLY A 37 -17.930 -15.355 1.336 1.00 0.69 C ATOM 599 C GLY A 37 -18.360 -16.012 2.648 1.00 0.68 C ATOM 600 O GLY A 37 -17.760 -15.804 3.684 1.00 1.04 O ATOM 0 H GLY A 37 -16.527 -16.865 0.783 1.00 0.62 H new ATOM 0 HA2 GLY A 37 -17.192 -14.577 1.531 1.00 0.69 H new ATOM 0 HA3 GLY A 37 -18.784 -14.873 0.861 1.00 0.69 H new ATOM 604 N ASN A 38 -19.394 -16.808 2.613 1.00 0.59 N ATOM 605 CA ASN A 38 -19.857 -17.480 3.860 1.00 0.60 C ATOM 606 C ASN A 38 -19.024 -18.741 4.093 1.00 0.57 C ATOM 607 O ASN A 38 -19.418 -19.833 3.734 1.00 0.63 O ATOM 608 CB ASN A 38 -21.332 -17.863 3.720 1.00 0.69 C ATOM 609 CG ASN A 38 -22.066 -16.787 2.917 1.00 0.79 C ATOM 610 OD1 ASN A 38 -21.559 -15.699 2.731 1.00 1.31 O ATOM 611 ND2 ASN A 38 -23.249 -17.047 2.430 1.00 1.32 N ATOM 0 H ASN A 38 -19.937 -17.022 1.776 1.00 0.59 H new ATOM 0 HA ASN A 38 -19.739 -16.801 4.704 1.00 0.60 H new ATOM 0 HB2 ASN A 38 -21.422 -18.828 3.222 1.00 0.69 H new ATOM 0 HB3 ASN A 38 -21.786 -17.969 4.705 1.00 0.69 H new ATOM 0 HD21 ASN A 38 -23.747 -16.337 1.894 1.00 1.32 H new ATOM 0 HD22 ASN A 38 -23.675 -17.960 2.586 1.00 1.32 H new ATOM 618 N PHE A 39 -17.874 -18.599 4.690 1.00 0.58 N ATOM 619 CA PHE A 39 -17.013 -19.790 4.945 1.00 0.58 C ATOM 620 C PHE A 39 -16.895 -20.022 6.453 1.00 0.48 C ATOM 621 O PHE A 39 -16.658 -19.107 7.214 1.00 0.48 O ATOM 622 CB PHE A 39 -15.616 -19.572 4.345 1.00 0.65 C ATOM 623 CG PHE A 39 -15.365 -18.098 4.118 1.00 0.59 C ATOM 624 CD1 PHE A 39 -15.003 -17.274 5.190 1.00 1.21 C ATOM 625 CD2 PHE A 39 -15.492 -17.558 2.832 1.00 1.46 C ATOM 626 CE1 PHE A 39 -14.770 -15.910 4.977 1.00 1.23 C ATOM 627 CE2 PHE A 39 -15.258 -16.195 2.619 1.00 1.45 C ATOM 628 CZ PHE A 39 -14.897 -15.370 3.691 1.00 0.63 C ATOM 0 H PHE A 39 -17.492 -17.710 5.013 1.00 0.58 H new ATOM 0 HA PHE A 39 -17.466 -20.663 4.476 1.00 0.58 H new ATOM 0 HB2 PHE A 39 -14.858 -19.978 5.015 1.00 0.65 H new ATOM 0 HB3 PHE A 39 -15.530 -20.112 3.402 1.00 0.65 H new ATOM 0 HD1 PHE A 39 -14.903 -17.690 6.182 1.00 1.21 H new ATOM 0 HD2 PHE A 39 -15.771 -18.194 2.005 1.00 1.46 H new ATOM 0 HE1 PHE A 39 -14.492 -15.274 5.805 1.00 1.23 H new ATOM 0 HE2 PHE A 39 -15.356 -15.779 1.627 1.00 1.45 H new ATOM 0 HZ PHE A 39 -14.717 -14.318 3.526 1.00 0.63 H new ATOM 638 N TYR A 40 -17.065 -21.243 6.884 1.00 0.45 N ATOM 639 CA TYR A 40 -16.974 -21.556 8.341 1.00 0.43 C ATOM 640 C TYR A 40 -15.844 -20.751 8.983 1.00 0.40 C ATOM 641 O TYR A 40 -14.844 -20.458 8.359 1.00 0.53 O ATOM 642 CB TYR A 40 -16.697 -23.050 8.515 1.00 0.47 C ATOM 643 CG TYR A 40 -17.778 -23.839 7.818 1.00 0.58 C ATOM 644 CD1 TYR A 40 -19.124 -23.564 8.082 1.00 1.45 C ATOM 645 CD2 TYR A 40 -17.436 -24.843 6.906 1.00 1.28 C ATOM 646 CE1 TYR A 40 -20.129 -24.290 7.435 1.00 1.55 C ATOM 647 CE2 TYR A 40 -18.441 -25.571 6.258 1.00 1.31 C ATOM 648 CZ TYR A 40 -19.788 -25.295 6.522 1.00 0.85 C ATOM 649 OH TYR A 40 -20.778 -26.013 5.883 1.00 1.00 O ATOM 0 H TYR A 40 -17.265 -22.044 6.285 1.00 0.45 H new ATOM 0 HA TYR A 40 -17.915 -21.293 8.825 1.00 0.43 H new ATOM 0 HB2 TYR A 40 -15.721 -23.302 8.100 1.00 0.47 H new ATOM 0 HB3 TYR A 40 -16.669 -23.306 9.574 1.00 0.47 H new ATOM 0 HD1 TYR A 40 -19.388 -22.789 8.787 1.00 1.45 H new ATOM 0 HD2 TYR A 40 -16.397 -25.056 6.702 1.00 1.28 H new ATOM 0 HE1 TYR A 40 -21.168 -24.075 7.640 1.00 1.55 H new ATOM 0 HE2 TYR A 40 -18.177 -26.346 5.554 1.00 1.31 H new ATOM 0 HH TYR A 40 -20.532 -26.144 4.943 1.00 1.00 H new ATOM 659 N GLU A 41 -16.000 -20.387 10.228 1.00 0.40 N ATOM 660 CA GLU A 41 -14.941 -19.596 10.912 1.00 0.45 C ATOM 661 C GLU A 41 -13.948 -20.534 11.592 1.00 0.53 C ATOM 662 O GLU A 41 -12.752 -20.321 11.557 1.00 1.21 O ATOM 663 CB GLU A 41 -15.581 -18.682 11.963 1.00 0.56 C ATOM 664 CG GLU A 41 -16.010 -19.511 13.177 1.00 0.87 C ATOM 665 CD GLU A 41 -16.778 -18.623 14.157 1.00 1.16 C ATOM 666 OE1 GLU A 41 -17.407 -17.681 13.703 1.00 1.85 O ATOM 667 OE2 GLU A 41 -16.725 -18.899 15.344 1.00 1.48 O ATOM 0 H GLU A 41 -16.816 -20.604 10.800 1.00 0.40 H new ATOM 0 HA GLU A 41 -14.415 -18.991 10.173 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -14.873 -17.912 12.269 1.00 0.56 H new ATOM 0 HB3 GLU A 41 -16.444 -18.170 11.537 1.00 0.56 H new ATOM 0 HG2 GLU A 41 -16.636 -20.345 12.858 1.00 0.87 H new ATOM 0 HG3 GLU A 41 -15.135 -19.938 13.666 1.00 0.87 H new ATOM 674 N GLY A 42 -14.432 -21.563 12.221 1.00 0.60 N ATOM 675 CA GLY A 42 -13.515 -22.504 12.913 1.00 0.58 C ATOM 676 C GLY A 42 -12.972 -23.534 11.918 1.00 0.50 C ATOM 677 O GLY A 42 -13.242 -24.713 12.033 1.00 0.56 O ATOM 0 H GLY A 42 -15.423 -21.794 12.286 1.00 0.60 H new ATOM 0 HA2 GLY A 42 -12.690 -21.954 13.366 1.00 0.58 H new ATOM 0 HA3 GLY A 42 -14.042 -23.010 13.721 1.00 0.58 H new ATOM 681 N ASP A 43 -12.199 -23.109 10.949 1.00 0.42 N ATOM 682 CA ASP A 43 -11.642 -24.090 9.963 1.00 0.38 C ATOM 683 C ASP A 43 -10.462 -23.468 9.197 1.00 0.35 C ATOM 684 O ASP A 43 -9.697 -22.689 9.730 1.00 0.45 O ATOM 685 CB ASP A 43 -12.728 -24.502 8.954 1.00 0.42 C ATOM 686 CG ASP A 43 -14.095 -24.596 9.633 1.00 0.61 C ATOM 687 OD1 ASP A 43 -14.641 -23.557 9.966 1.00 1.23 O ATOM 688 OD2 ASP A 43 -14.573 -25.705 9.807 1.00 1.35 O ATOM 0 H ASP A 43 -11.931 -22.137 10.798 1.00 0.42 H new ATOM 0 HA ASP A 43 -11.298 -24.967 10.512 1.00 0.38 H new ATOM 0 HB2 ASP A 43 -12.770 -23.776 8.142 1.00 0.42 H new ATOM 0 HB3 ASP A 43 -12.471 -25.463 8.509 1.00 0.42 H new ATOM 693 N CYS A 44 -10.322 -23.818 7.939 1.00 0.29 N ATOM 694 CA CYS A 44 -9.215 -23.276 7.097 1.00 0.28 C ATOM 695 C CYS A 44 -9.760 -23.033 5.687 1.00 0.26 C ATOM 696 O CYS A 44 -10.621 -23.749 5.220 1.00 0.32 O ATOM 697 CB CYS A 44 -8.085 -24.309 7.038 1.00 0.30 C ATOM 698 SG CYS A 44 -7.013 -24.122 8.483 1.00 0.37 S ATOM 0 H CYS A 44 -10.941 -24.468 7.455 1.00 0.29 H new ATOM 0 HA CYS A 44 -8.833 -22.345 7.516 1.00 0.28 H new ATOM 0 HB2 CYS A 44 -8.501 -25.316 7.009 1.00 0.30 H new ATOM 0 HB3 CYS A 44 -7.506 -24.177 6.124 1.00 0.30 H new ATOM 0 HG CYS A 44 -7.644 -23.463 9.409 1.00 0.37 H new ATOM 704 N TYR A 45 -9.284 -22.026 5.008 1.00 0.29 N ATOM 705 CA TYR A 45 -9.806 -21.752 3.638 1.00 0.30 C ATOM 706 C TYR A 45 -8.684 -21.232 2.737 1.00 0.36 C ATOM 707 O TYR A 45 -8.221 -20.120 2.887 1.00 0.73 O ATOM 708 CB TYR A 45 -10.908 -20.696 3.722 1.00 0.32 C ATOM 709 CG TYR A 45 -12.195 -21.344 4.168 1.00 0.30 C ATOM 710 CD1 TYR A 45 -12.347 -21.759 5.497 1.00 1.26 C ATOM 711 CD2 TYR A 45 -13.237 -21.530 3.254 1.00 1.22 C ATOM 712 CE1 TYR A 45 -13.540 -22.360 5.910 1.00 1.28 C ATOM 713 CE2 TYR A 45 -14.431 -22.130 3.667 1.00 1.22 C ATOM 714 CZ TYR A 45 -14.583 -22.546 4.995 1.00 0.34 C ATOM 715 OH TYR A 45 -15.759 -23.141 5.401 1.00 0.40 O ATOM 0 H TYR A 45 -8.562 -21.385 5.338 1.00 0.29 H new ATOM 0 HA TYR A 45 -10.202 -22.677 3.218 1.00 0.30 H new ATOM 0 HB2 TYR A 45 -10.622 -19.912 4.423 1.00 0.32 H new ATOM 0 HB3 TYR A 45 -11.046 -20.221 2.751 1.00 0.32 H new ATOM 0 HD1 TYR A 45 -11.543 -21.615 6.203 1.00 1.26 H new ATOM 0 HD2 TYR A 45 -13.120 -21.210 2.229 1.00 1.22 H new ATOM 0 HE1 TYR A 45 -13.657 -22.681 6.935 1.00 1.28 H new ATOM 0 HE2 TYR A 45 -15.236 -22.272 2.961 1.00 1.22 H new ATOM 0 HH TYR A 45 -15.566 -23.808 6.093 1.00 0.40 H new ATOM 725 N VAL A 46 -8.257 -22.019 1.786 1.00 0.25 N ATOM 726 CA VAL A 46 -7.180 -21.553 0.865 1.00 0.25 C ATOM 727 C VAL A 46 -7.806 -20.648 -0.197 1.00 0.23 C ATOM 728 O VAL A 46 -8.725 -21.039 -0.882 1.00 0.37 O ATOM 729 CB VAL A 46 -6.523 -22.759 0.191 1.00 0.31 C ATOM 730 CG1 VAL A 46 -5.489 -22.275 -0.827 1.00 0.32 C ATOM 731 CG2 VAL A 46 -5.830 -23.619 1.250 1.00 0.38 C ATOM 0 H VAL A 46 -8.606 -22.961 1.607 1.00 0.25 H new ATOM 0 HA VAL A 46 -6.422 -21.004 1.424 1.00 0.25 H new ATOM 0 HB VAL A 46 -7.285 -23.350 -0.318 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -5.021 -23.134 -1.307 1.00 0.32 H new ATOM 0 HG12 VAL A 46 -5.981 -21.661 -1.582 1.00 0.32 H new ATOM 0 HG13 VAL A 46 -4.727 -21.684 -0.319 1.00 0.32 H new ATOM 0 HG21 VAL A 46 -5.361 -24.479 0.771 1.00 0.38 H new ATOM 0 HG22 VAL A 46 -5.069 -23.027 1.758 1.00 0.38 H new ATOM 0 HG23 VAL A 46 -6.566 -23.965 1.976 1.00 0.38 H new ATOM 741 N LEU A 47 -7.332 -19.438 -0.329 1.00 0.30 N ATOM 742 CA LEU A 47 -7.929 -18.513 -1.339 1.00 0.27 C ATOM 743 C LEU A 47 -6.927 -18.235 -2.465 1.00 0.33 C ATOM 744 O LEU A 47 -5.867 -17.693 -2.244 1.00 0.75 O ATOM 745 CB LEU A 47 -8.304 -17.201 -0.648 1.00 0.33 C ATOM 746 CG LEU A 47 -8.808 -16.202 -1.687 1.00 0.28 C ATOM 747 CD1 LEU A 47 -9.912 -15.342 -1.073 1.00 0.35 C ATOM 748 CD2 LEU A 47 -7.648 -15.308 -2.129 1.00 0.41 C ATOM 0 H LEU A 47 -6.561 -19.050 0.215 1.00 0.30 H new ATOM 0 HA LEU A 47 -8.817 -18.975 -1.771 1.00 0.27 H new ATOM 0 HB2 LEU A 47 -9.074 -17.380 0.102 1.00 0.33 H new ATOM 0 HB3 LEU A 47 -7.439 -16.793 -0.126 1.00 0.33 H new ATOM 0 HG LEU A 47 -9.206 -16.738 -2.549 1.00 0.28 H new ATOM 0 HD11 LEU A 47 -10.272 -14.629 -1.814 1.00 0.35 H new ATOM 0 HD12 LEU A 47 -10.736 -15.981 -0.754 1.00 0.35 H new ATOM 0 HD13 LEU A 47 -9.517 -14.802 -0.212 1.00 0.35 H new ATOM 0 HD21 LEU A 47 -8.002 -14.593 -2.871 1.00 0.41 H new ATOM 0 HD22 LEU A 47 -7.254 -14.771 -1.266 1.00 0.41 H new ATOM 0 HD23 LEU A 47 -6.860 -15.923 -2.565 1.00 0.41 H new ATOM 760 N LEU A 48 -7.261 -18.597 -3.675 1.00 0.26 N ATOM 761 CA LEU A 48 -6.328 -18.352 -4.815 1.00 0.22 C ATOM 762 C LEU A 48 -6.808 -17.143 -5.621 1.00 0.21 C ATOM 763 O LEU A 48 -7.780 -17.212 -6.344 1.00 0.31 O ATOM 764 CB LEU A 48 -6.290 -19.589 -5.720 1.00 0.27 C ATOM 765 CG LEU A 48 -5.630 -19.234 -7.056 1.00 0.30 C ATOM 766 CD1 LEU A 48 -4.157 -18.890 -6.829 1.00 0.30 C ATOM 767 CD2 LEU A 48 -5.732 -20.429 -8.006 1.00 0.45 C ATOM 0 H LEU A 48 -8.139 -19.052 -3.924 1.00 0.26 H new ATOM 0 HA LEU A 48 -5.328 -18.154 -4.428 1.00 0.22 H new ATOM 0 HB2 LEU A 48 -5.736 -20.391 -5.232 1.00 0.27 H new ATOM 0 HB3 LEU A 48 -7.302 -19.958 -5.890 1.00 0.27 H new ATOM 0 HG LEU A 48 -6.138 -18.374 -7.492 1.00 0.30 H new ATOM 0 HD11 LEU A 48 -3.691 -18.638 -7.782 1.00 0.30 H new ATOM 0 HD12 LEU A 48 -4.082 -18.039 -6.152 1.00 0.30 H new ATOM 0 HD13 LEU A 48 -3.646 -19.748 -6.391 1.00 0.30 H new ATOM 0 HD21 LEU A 48 -5.263 -20.178 -8.957 1.00 0.45 H new ATOM 0 HD22 LEU A 48 -5.225 -21.288 -7.566 1.00 0.45 H new ATOM 0 HD23 LEU A 48 -6.781 -20.673 -8.172 1.00 0.45 H new ATOM 779 N SER A 49 -6.131 -16.035 -5.505 1.00 0.23 N ATOM 780 CA SER A 49 -6.548 -14.824 -6.265 1.00 0.23 C ATOM 781 C SER A 49 -5.769 -14.745 -7.571 1.00 0.22 C ATOM 782 O SER A 49 -4.584 -15.002 -7.623 1.00 0.28 O ATOM 783 CB SER A 49 -6.268 -13.576 -5.427 1.00 0.29 C ATOM 784 OG SER A 49 -7.112 -12.518 -5.862 1.00 0.39 O ATOM 0 H SER A 49 -5.307 -15.916 -4.916 1.00 0.23 H new ATOM 0 HA SER A 49 -7.614 -14.884 -6.484 1.00 0.23 H new ATOM 0 HB2 SER A 49 -6.443 -13.786 -4.372 1.00 0.29 H new ATOM 0 HB3 SER A 49 -5.222 -13.286 -5.525 1.00 0.29 H new ATOM 0 HG SER A 49 -7.303 -11.921 -5.109 1.00 0.39 H new ATOM 790 N THR A 50 -6.439 -14.401 -8.631 1.00 0.26 N ATOM 791 CA THR A 50 -5.758 -14.314 -9.947 1.00 0.29 C ATOM 792 C THR A 50 -6.113 -12.979 -10.613 1.00 0.34 C ATOM 793 O THR A 50 -7.263 -12.592 -10.677 1.00 0.52 O ATOM 794 CB THR A 50 -6.233 -15.490 -10.805 1.00 0.34 C ATOM 795 OG1 THR A 50 -5.437 -16.631 -10.513 1.00 0.41 O ATOM 796 CG2 THR A 50 -6.112 -15.155 -12.297 1.00 0.40 C ATOM 0 H THR A 50 -7.434 -14.175 -8.642 1.00 0.26 H new ATOM 0 HA THR A 50 -4.675 -14.362 -9.830 1.00 0.29 H new ATOM 0 HB THR A 50 -7.279 -15.693 -10.577 1.00 0.34 H new ATOM 0 HG1 THR A 50 -4.650 -16.639 -11.097 1.00 0.41 H new ATOM 0 HG21 THR A 50 -6.454 -16.003 -12.889 1.00 0.40 H new ATOM 0 HG22 THR A 50 -6.724 -14.283 -12.525 1.00 0.40 H new ATOM 0 HG23 THR A 50 -5.071 -14.941 -12.538 1.00 0.40 H new ATOM 804 N ARG A 51 -5.133 -12.276 -11.110 1.00 0.38 N ATOM 805 CA ARG A 51 -5.411 -10.970 -11.772 1.00 0.42 C ATOM 806 C ARG A 51 -4.818 -10.977 -13.182 1.00 0.44 C ATOM 807 O ARG A 51 -3.942 -11.759 -13.493 1.00 0.63 O ATOM 808 CB ARG A 51 -4.776 -9.841 -10.956 1.00 0.55 C ATOM 809 CG ARG A 51 -4.985 -8.507 -11.677 1.00 1.29 C ATOM 810 CD ARG A 51 -4.305 -7.388 -10.886 1.00 1.49 C ATOM 811 NE ARG A 51 -4.769 -7.426 -9.471 1.00 1.74 N ATOM 812 CZ ARG A 51 -4.179 -6.687 -8.571 1.00 2.00 C ATOM 813 NH1 ARG A 51 -3.483 -5.646 -8.936 1.00 2.30 N ATOM 814 NH2 ARG A 51 -4.286 -6.990 -7.306 1.00 2.73 N ATOM 0 H ARG A 51 -4.151 -12.550 -11.086 1.00 0.38 H new ATOM 0 HA ARG A 51 -6.488 -10.814 -11.832 1.00 0.42 H new ATOM 0 HB2 ARG A 51 -5.221 -9.802 -9.962 1.00 0.55 H new ATOM 0 HB3 ARG A 51 -3.711 -10.030 -10.821 1.00 0.55 H new ATOM 0 HG2 ARG A 51 -4.572 -8.557 -12.685 1.00 1.29 H new ATOM 0 HG3 ARG A 51 -6.050 -8.299 -11.779 1.00 1.29 H new ATOM 0 HD2 ARG A 51 -3.222 -7.505 -10.928 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -4.538 -6.420 -11.330 1.00 1.49 H new ATOM 0 HE ARG A 51 -5.547 -8.029 -9.205 1.00 1.74 H new ATOM 0 HH11 ARG A 51 -3.400 -5.409 -9.925 1.00 2.30 H new ATOM 0 HH12 ARG A 51 -3.022 -5.069 -8.233 1.00 2.30 H new ATOM 0 HH21 ARG A 51 -4.830 -7.804 -7.021 1.00 2.73 H new ATOM 0 HH22 ARG A 51 -3.825 -6.413 -6.603 1.00 2.73 H new ATOM 828 N LYS A 52 -5.287 -10.112 -14.039 1.00 0.55 N ATOM 829 CA LYS A 52 -4.747 -10.071 -15.427 1.00 0.60 C ATOM 830 C LYS A 52 -3.491 -9.197 -15.461 1.00 0.65 C ATOM 831 O LYS A 52 -3.322 -8.307 -14.652 1.00 0.76 O ATOM 832 CB LYS A 52 -5.801 -9.485 -16.368 1.00 0.62 C ATOM 833 CG LYS A 52 -6.176 -8.077 -15.901 1.00 0.67 C ATOM 834 CD LYS A 52 -6.992 -7.378 -16.990 1.00 1.30 C ATOM 835 CE LYS A 52 -6.804 -5.864 -16.877 1.00 1.56 C ATOM 836 NZ LYS A 52 -7.837 -5.303 -15.961 1.00 2.20 N ATOM 0 H LYS A 52 -6.020 -9.432 -13.838 1.00 0.55 H new ATOM 0 HA LYS A 52 -4.495 -11.082 -15.748 1.00 0.60 H new ATOM 0 HB2 LYS A 52 -5.415 -9.451 -17.387 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -6.685 -10.122 -16.383 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -6.753 -8.130 -14.978 1.00 0.67 H new ATOM 0 HG3 LYS A 52 -5.276 -7.503 -15.682 1.00 0.67 H new ATOM 0 HD2 LYS A 52 -6.674 -7.722 -17.974 1.00 1.30 H new ATOM 0 HD3 LYS A 52 -8.047 -7.633 -16.888 1.00 1.30 H new ATOM 0 HE2 LYS A 52 -5.807 -5.638 -16.500 1.00 1.56 H new ATOM 0 HE3 LYS A 52 -6.885 -5.402 -17.861 1.00 1.56 H new ATOM 0 HZ1 LYS A 52 -7.710 -4.274 -15.883 1.00 2.20 H new ATOM 0 HZ2 LYS A 52 -8.784 -5.508 -16.339 1.00 2.20 H new ATOM 0 HZ3 LYS A 52 -7.739 -5.736 -15.020 1.00 2.20 H new ATOM 850 N THR A 53 -2.609 -9.445 -16.390 1.00 0.66 N ATOM 851 CA THR A 53 -1.366 -8.627 -16.474 1.00 0.75 C ATOM 852 C THR A 53 -0.932 -8.506 -17.936 1.00 0.86 C ATOM 853 O THR A 53 -1.550 -9.057 -18.825 1.00 0.95 O ATOM 854 CB THR A 53 -0.255 -9.304 -15.667 1.00 0.79 C ATOM 855 OG1 THR A 53 -0.328 -10.711 -15.851 1.00 0.90 O ATOM 856 CG2 THR A 53 -0.425 -8.972 -14.184 1.00 0.74 C ATOM 0 H THR A 53 -2.695 -10.178 -17.094 1.00 0.66 H new ATOM 0 HA THR A 53 -1.557 -7.633 -16.069 1.00 0.75 H new ATOM 0 HB THR A 53 0.715 -8.943 -16.009 1.00 0.79 H new ATOM 0 HG1 THR A 53 0.384 -11.146 -15.336 1.00 0.90 H new ATOM 0 HG21 THR A 53 0.366 -9.454 -13.610 1.00 0.74 H new ATOM 0 HG22 THR A 53 -0.368 -7.893 -14.044 1.00 0.74 H new ATOM 0 HG23 THR A 53 -1.394 -9.332 -13.839 1.00 0.74 H new ATOM 864 N GLY A 54 0.128 -7.789 -18.193 1.00 0.91 N ATOM 865 CA GLY A 54 0.600 -7.633 -19.598 1.00 1.03 C ATOM 866 C GLY A 54 1.389 -8.876 -20.013 1.00 1.00 C ATOM 867 O GLY A 54 1.602 -9.125 -21.183 1.00 1.06 O ATOM 0 H GLY A 54 0.687 -7.305 -17.491 1.00 0.91 H new ATOM 0 HA2 GLY A 54 -0.250 -7.490 -20.265 1.00 1.03 H new ATOM 0 HA3 GLY A 54 1.227 -6.746 -19.686 1.00 1.03 H new ATOM 871 N SER A 55 1.825 -9.658 -19.064 1.00 1.02 N ATOM 872 CA SER A 55 2.599 -10.884 -19.406 1.00 1.03 C ATOM 873 C SER A 55 1.671 -12.100 -19.372 1.00 0.94 C ATOM 874 O SER A 55 1.848 -13.048 -20.110 1.00 1.09 O ATOM 875 CB SER A 55 3.726 -11.074 -18.390 1.00 1.09 C ATOM 876 OG SER A 55 3.307 -11.992 -17.389 1.00 1.39 O ATOM 0 H SER A 55 1.679 -9.501 -18.067 1.00 1.02 H new ATOM 0 HA SER A 55 3.023 -10.779 -20.405 1.00 1.03 H new ATOM 0 HB2 SER A 55 4.621 -11.445 -18.888 1.00 1.09 H new ATOM 0 HB3 SER A 55 3.987 -10.118 -17.936 1.00 1.09 H new ATOM 0 HG SER A 55 4.028 -12.117 -16.737 1.00 1.39 H new ATOM 882 N GLY A 56 0.682 -12.079 -18.521 1.00 0.80 N ATOM 883 CA GLY A 56 -0.257 -13.234 -18.442 1.00 0.82 C ATOM 884 C GLY A 56 -1.182 -13.060 -17.237 1.00 0.75 C ATOM 885 O GLY A 56 -2.111 -12.277 -17.263 1.00 0.94 O ATOM 0 H GLY A 56 0.484 -11.313 -17.878 1.00 0.80 H new ATOM 0 HA2 GLY A 56 -0.844 -13.302 -19.358 1.00 0.82 H new ATOM 0 HA3 GLY A 56 0.302 -14.165 -18.353 1.00 0.82 H new ATOM 889 N PHE A 57 -0.937 -13.784 -16.179 1.00 0.65 N ATOM 890 CA PHE A 57 -1.804 -13.660 -14.973 1.00 0.59 C ATOM 891 C PHE A 57 -0.942 -13.746 -13.713 1.00 0.54 C ATOM 892 O PHE A 57 0.113 -14.349 -13.708 1.00 0.76 O ATOM 893 CB PHE A 57 -2.830 -14.794 -14.962 1.00 0.64 C ATOM 894 CG PHE A 57 -3.996 -14.429 -15.849 1.00 0.72 C ATOM 895 CD1 PHE A 57 -3.965 -14.748 -17.212 1.00 1.39 C ATOM 896 CD2 PHE A 57 -5.108 -13.773 -15.309 1.00 1.47 C ATOM 897 CE1 PHE A 57 -5.047 -14.411 -18.034 1.00 1.56 C ATOM 898 CE2 PHE A 57 -6.190 -13.437 -16.131 1.00 1.56 C ATOM 899 CZ PHE A 57 -6.160 -13.756 -17.493 1.00 1.14 C ATOM 0 H PHE A 57 -0.174 -14.456 -16.098 1.00 0.65 H new ATOM 0 HA PHE A 57 -2.321 -12.701 -14.997 1.00 0.59 H new ATOM 0 HB2 PHE A 57 -2.370 -15.718 -15.311 1.00 0.64 H new ATOM 0 HB3 PHE A 57 -3.176 -14.975 -13.944 1.00 0.64 H new ATOM 0 HD1 PHE A 57 -3.107 -15.254 -17.629 1.00 1.39 H new ATOM 0 HD2 PHE A 57 -5.131 -13.526 -14.258 1.00 1.47 H new ATOM 0 HE1 PHE A 57 -5.023 -14.656 -19.086 1.00 1.56 H new ATOM 0 HE2 PHE A 57 -7.048 -12.931 -15.714 1.00 1.56 H new ATOM 0 HZ PHE A 57 -6.995 -13.497 -18.127 1.00 1.14 H new ATOM 909 N SER A 58 -1.390 -13.153 -12.642 1.00 0.42 N ATOM 910 CA SER A 58 -0.608 -13.202 -11.376 1.00 0.36 C ATOM 911 C SER A 58 -1.431 -13.930 -10.313 1.00 0.30 C ATOM 912 O SER A 58 -2.430 -13.428 -9.838 1.00 0.37 O ATOM 913 CB SER A 58 -0.306 -11.779 -10.904 1.00 0.40 C ATOM 914 OG SER A 58 0.941 -11.361 -11.442 1.00 1.06 O ATOM 0 H SER A 58 -2.267 -12.635 -12.589 1.00 0.42 H new ATOM 0 HA SER A 58 0.331 -13.730 -11.543 1.00 0.36 H new ATOM 0 HB2 SER A 58 -1.098 -11.102 -11.223 1.00 0.40 H new ATOM 0 HB3 SER A 58 -0.276 -11.743 -9.815 1.00 0.40 H new ATOM 0 HG SER A 58 1.137 -10.449 -11.143 1.00 1.06 H new ATOM 920 N TYR A 59 -1.029 -15.115 -9.944 1.00 0.23 N ATOM 921 CA TYR A 59 -1.802 -15.874 -8.923 1.00 0.20 C ATOM 922 C TYR A 59 -1.325 -15.499 -7.519 1.00 0.19 C ATOM 923 O TYR A 59 -0.223 -15.023 -7.326 1.00 0.25 O ATOM 924 CB TYR A 59 -1.611 -17.375 -9.145 1.00 0.23 C ATOM 925 CG TYR A 59 -1.892 -17.710 -10.590 1.00 0.30 C ATOM 926 CD1 TYR A 59 -0.898 -17.520 -11.558 1.00 1.13 C ATOM 927 CD2 TYR A 59 -3.145 -18.212 -10.962 1.00 1.19 C ATOM 928 CE1 TYR A 59 -1.159 -17.832 -12.898 1.00 1.13 C ATOM 929 CE2 TYR A 59 -3.405 -18.523 -12.302 1.00 1.27 C ATOM 930 CZ TYR A 59 -2.412 -18.333 -13.270 1.00 0.53 C ATOM 931 OH TYR A 59 -2.668 -18.640 -14.591 1.00 0.66 O ATOM 0 H TYR A 59 -0.201 -15.589 -10.305 1.00 0.23 H new ATOM 0 HA TYR A 59 -2.859 -15.624 -9.019 1.00 0.20 H new ATOM 0 HB2 TYR A 59 -0.593 -17.665 -8.885 1.00 0.23 H new ATOM 0 HB3 TYR A 59 -2.280 -17.938 -8.493 1.00 0.23 H new ATOM 0 HD1 TYR A 59 0.069 -17.133 -11.271 1.00 1.13 H new ATOM 0 HD2 TYR A 59 -3.911 -18.359 -10.215 1.00 1.19 H new ATOM 0 HE1 TYR A 59 -0.393 -17.686 -13.645 1.00 1.13 H new ATOM 0 HE2 TYR A 59 -4.372 -18.910 -12.589 1.00 1.27 H new ATOM 0 HH TYR A 59 -3.584 -18.977 -14.677 1.00 0.66 H new ATOM 941 N ASN A 60 -2.157 -15.715 -6.541 1.00 0.19 N ATOM 942 CA ASN A 60 -1.787 -15.385 -5.138 1.00 0.22 C ATOM 943 C ASN A 60 -2.480 -16.378 -4.212 1.00 0.19 C ATOM 944 O ASN A 60 -3.598 -16.171 -3.799 1.00 0.28 O ATOM 945 CB ASN A 60 -2.257 -13.966 -4.810 1.00 0.30 C ATOM 946 CG ASN A 60 -1.078 -12.997 -4.918 1.00 0.39 C ATOM 947 OD1 ASN A 60 0.060 -13.414 -4.999 1.00 0.92 O ATOM 948 ND2 ASN A 60 -1.304 -11.712 -4.923 1.00 0.94 N ATOM 0 H ASN A 60 -3.090 -16.111 -6.656 1.00 0.19 H new ATOM 0 HA ASN A 60 -0.706 -15.443 -5.008 1.00 0.22 H new ATOM 0 HB2 ASN A 60 -3.050 -13.667 -5.495 1.00 0.30 H new ATOM 0 HB3 ASN A 60 -2.676 -13.934 -3.804 1.00 0.30 H new ATOM 0 HD21 ASN A 60 -0.525 -11.057 -4.995 1.00 0.94 H new ATOM 0 HD22 ASN A 60 -2.260 -11.362 -4.855 1.00 0.94 H new ATOM 955 N ILE A 61 -1.835 -17.466 -3.900 1.00 0.15 N ATOM 956 CA ILE A 61 -2.479 -18.476 -3.017 1.00 0.13 C ATOM 957 C ILE A 61 -2.410 -18.025 -1.561 1.00 0.14 C ATOM 958 O ILE A 61 -1.391 -17.572 -1.079 1.00 0.24 O ATOM 959 CB ILE A 61 -1.772 -19.822 -3.168 1.00 0.15 C ATOM 960 CG1 ILE A 61 -1.642 -20.166 -4.654 1.00 0.18 C ATOM 961 CG2 ILE A 61 -2.591 -20.903 -2.465 1.00 0.18 C ATOM 962 CD1 ILE A 61 -0.483 -21.145 -4.852 1.00 0.32 C ATOM 0 H ILE A 61 -0.894 -17.699 -4.217 1.00 0.15 H new ATOM 0 HA ILE A 61 -3.524 -18.580 -3.308 1.00 0.13 H new ATOM 0 HB ILE A 61 -0.779 -19.766 -2.721 1.00 0.15 H new ATOM 0 HG12 ILE A 61 -2.570 -20.606 -5.019 1.00 0.18 H new ATOM 0 HG13 ILE A 61 -1.469 -19.260 -5.234 1.00 0.18 H new ATOM 0 HG21 ILE A 61 -2.090 -21.865 -2.570 1.00 0.18 H new ATOM 0 HG22 ILE A 61 -2.686 -20.657 -1.407 1.00 0.18 H new ATOM 0 HG23 ILE A 61 -3.582 -20.959 -2.915 1.00 0.18 H new ATOM 0 HD11 ILE A 61 -0.390 -21.390 -5.910 1.00 0.32 H new ATOM 0 HD12 ILE A 61 0.443 -20.688 -4.503 1.00 0.32 H new ATOM 0 HD13 ILE A 61 -0.675 -22.055 -4.284 1.00 0.32 H new ATOM 974 N HIS A 62 -3.500 -18.161 -0.862 1.00 0.16 N ATOM 975 CA HIS A 62 -3.546 -17.757 0.567 1.00 0.15 C ATOM 976 C HIS A 62 -3.915 -18.959 1.412 1.00 0.15 C ATOM 977 O HIS A 62 -4.524 -19.896 0.936 1.00 0.16 O ATOM 978 CB HIS A 62 -4.652 -16.727 0.774 1.00 0.18 C ATOM 979 CG HIS A 62 -4.367 -15.488 -0.022 1.00 0.21 C ATOM 980 ND1 HIS A 62 -3.962 -14.300 0.564 1.00 0.24 N ATOM 981 CD2 HIS A 62 -4.441 -15.238 -1.368 1.00 0.26 C ATOM 982 CE1 HIS A 62 -3.809 -13.395 -0.420 1.00 0.25 C ATOM 983 NE2 HIS A 62 -4.089 -13.915 -1.619 1.00 0.27 N ATOM 0 H HIS A 62 -4.374 -18.541 -1.227 1.00 0.16 H new ATOM 0 HA HIS A 62 -2.573 -17.352 0.845 1.00 0.15 H new ATOM 0 HB2 HIS A 62 -5.611 -17.148 0.473 1.00 0.18 H new ATOM 0 HB3 HIS A 62 -4.732 -16.477 1.832 1.00 0.18 H new ATOM 0 HD1 HIS A 62 -3.808 -14.140 1.560 1.00 0.24 H new ATOM 0 HD2 HIS A 62 -4.729 -15.958 -2.119 1.00 0.26 H new ATOM 0 HE1 HIS A 62 -3.498 -12.373 -0.260 1.00 0.25 H new ATOM 991 N TYR A 63 -3.615 -18.925 2.673 1.00 0.16 N ATOM 992 CA TYR A 63 -4.034 -20.059 3.519 1.00 0.17 C ATOM 993 C TYR A 63 -4.693 -19.528 4.790 1.00 0.18 C ATOM 994 O TYR A 63 -4.048 -19.149 5.749 1.00 0.23 O ATOM 995 CB TYR A 63 -2.861 -21.004 3.831 1.00 0.17 C ATOM 996 CG TYR A 63 -1.813 -20.337 4.691 1.00 0.22 C ATOM 997 CD1 TYR A 63 -0.757 -19.641 4.094 1.00 0.98 C ATOM 998 CD2 TYR A 63 -1.879 -20.445 6.086 1.00 1.22 C ATOM 999 CE1 TYR A 63 0.233 -19.051 4.890 1.00 0.95 C ATOM 1000 CE2 TYR A 63 -0.894 -19.851 6.882 1.00 1.31 C ATOM 1001 CZ TYR A 63 0.163 -19.156 6.285 1.00 0.43 C ATOM 1002 OH TYR A 63 1.140 -18.580 7.071 1.00 0.55 O ATOM 0 H TYR A 63 -3.108 -18.176 3.145 1.00 0.16 H new ATOM 0 HA TYR A 63 -4.764 -20.655 2.971 1.00 0.17 H new ATOM 0 HB2 TYR A 63 -3.236 -21.892 4.339 1.00 0.17 H new ATOM 0 HB3 TYR A 63 -2.406 -21.338 2.898 1.00 0.17 H new ATOM 0 HD1 TYR A 63 -0.705 -19.558 3.018 1.00 0.98 H new ATOM 0 HD2 TYR A 63 -2.691 -20.987 6.547 1.00 1.22 H new ATOM 0 HE1 TYR A 63 1.050 -18.516 4.429 1.00 0.95 H new ATOM 0 HE2 TYR A 63 -0.950 -19.929 7.958 1.00 1.31 H new ATOM 0 HH TYR A 63 1.990 -18.573 6.584 1.00 0.55 H new ATOM 1012 N TRP A 64 -5.998 -19.491 4.775 1.00 0.21 N ATOM 1013 CA TRP A 64 -6.773 -18.987 5.940 1.00 0.24 C ATOM 1014 C TRP A 64 -6.796 -20.062 7.019 1.00 0.23 C ATOM 1015 O TRP A 64 -7.027 -21.222 6.747 1.00 0.26 O ATOM 1016 CB TRP A 64 -8.196 -18.680 5.472 1.00 0.28 C ATOM 1017 CG TRP A 64 -8.883 -17.775 6.438 1.00 0.32 C ATOM 1018 CD1 TRP A 64 -8.454 -16.549 6.820 1.00 0.33 C ATOM 1019 CD2 TRP A 64 -10.135 -18.005 7.132 1.00 0.36 C ATOM 1020 NE1 TRP A 64 -9.369 -16.021 7.713 1.00 0.37 N ATOM 1021 CE2 TRP A 64 -10.423 -16.881 7.935 1.00 0.39 C ATOM 1022 CE3 TRP A 64 -11.036 -19.078 7.141 1.00 0.38 C ATOM 1023 CZ2 TRP A 64 -11.573 -16.820 8.719 1.00 0.45 C ATOM 1024 CZ3 TRP A 64 -12.195 -19.024 7.927 1.00 0.44 C ATOM 1025 CH2 TRP A 64 -12.463 -17.895 8.714 1.00 0.47 C ATOM 0 H TRP A 64 -6.569 -19.796 3.987 1.00 0.21 H new ATOM 0 HA TRP A 64 -6.319 -18.084 6.348 1.00 0.24 H new ATOM 0 HB2 TRP A 64 -8.168 -18.215 4.487 1.00 0.28 H new ATOM 0 HB3 TRP A 64 -8.759 -19.608 5.371 1.00 0.28 H new ATOM 0 HD1 TRP A 64 -7.549 -16.065 6.484 1.00 0.33 H new ATOM 0 HE1 TRP A 64 -9.275 -15.106 8.154 1.00 0.37 H new ATOM 0 HE3 TRP A 64 -10.836 -19.952 6.539 1.00 0.38 H new ATOM 0 HZ2 TRP A 64 -11.774 -15.949 9.325 1.00 0.45 H new ATOM 0 HZ3 TRP A 64 -12.884 -19.855 7.927 1.00 0.44 H new ATOM 0 HH2 TRP A 64 -13.358 -17.857 9.317 1.00 0.47 H new ATOM 1036 N LEU A 65 -6.524 -19.693 8.237 1.00 0.28 N ATOM 1037 CA LEU A 65 -6.492 -20.706 9.324 1.00 0.30 C ATOM 1038 C LEU A 65 -7.512 -20.372 10.414 1.00 0.30 C ATOM 1039 O LEU A 65 -7.142 -20.104 11.535 1.00 0.34 O ATOM 1040 CB LEU A 65 -5.092 -20.716 9.954 1.00 0.37 C ATOM 1041 CG LEU A 65 -4.077 -21.531 9.126 1.00 0.43 C ATOM 1042 CD1 LEU A 65 -3.844 -22.882 9.801 1.00 0.70 C ATOM 1043 CD2 LEU A 65 -4.564 -21.770 7.691 1.00 0.32 C ATOM 0 H LEU A 65 -6.323 -18.736 8.526 1.00 0.28 H new ATOM 0 HA LEU A 65 -6.736 -21.679 8.898 1.00 0.30 H new ATOM 0 HB2 LEU A 65 -4.735 -19.691 10.054 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -5.153 -21.132 10.960 1.00 0.37 H new ATOM 0 HG LEU A 65 -3.152 -20.956 9.078 1.00 0.43 H new ATOM 0 HD11 LEU A 65 -3.127 -23.461 9.219 1.00 0.70 H new ATOM 0 HD12 LEU A 65 -3.452 -22.724 10.806 1.00 0.70 H new ATOM 0 HD13 LEU A 65 -4.787 -23.426 9.861 1.00 0.70 H new ATOM 0 HD21 LEU A 65 -3.818 -22.347 7.145 1.00 0.32 H new ATOM 0 HD22 LEU A 65 -5.504 -22.321 7.713 1.00 0.32 H new ATOM 0 HD23 LEU A 65 -4.716 -20.812 7.194 1.00 0.32 H new ATOM 1055 N GLY A 66 -8.784 -20.410 10.111 1.00 0.29 N ATOM 1056 CA GLY A 66 -9.809 -20.122 11.164 1.00 0.33 C ATOM 1057 C GLY A 66 -9.494 -20.987 12.388 1.00 0.28 C ATOM 1058 O GLY A 66 -9.940 -22.117 12.488 1.00 0.24 O ATOM 0 H GLY A 66 -9.158 -20.626 9.187 1.00 0.29 H new ATOM 0 HA2 GLY A 66 -9.793 -19.065 11.431 1.00 0.33 H new ATOM 0 HA3 GLY A 66 -10.809 -20.341 10.791 1.00 0.33 H new ATOM 1062 N LYS A 67 -8.695 -20.455 13.287 1.00 0.35 N ATOM 1063 CA LYS A 67 -8.251 -21.192 14.510 1.00 0.38 C ATOM 1064 C LYS A 67 -9.359 -22.043 15.106 1.00 0.34 C ATOM 1065 O LYS A 67 -10.135 -21.606 15.933 1.00 0.48 O ATOM 1066 CB LYS A 67 -7.770 -20.186 15.557 1.00 0.61 C ATOM 1067 CG LYS A 67 -6.819 -20.881 16.534 1.00 0.90 C ATOM 1068 CD LYS A 67 -5.451 -20.199 16.488 1.00 1.34 C ATOM 1069 CE LYS A 67 -4.547 -20.934 15.496 1.00 1.57 C ATOM 1070 NZ LYS A 67 -3.177 -21.060 16.071 1.00 2.25 N ATOM 0 H LYS A 67 -8.322 -19.508 13.217 1.00 0.35 H new ATOM 0 HA LYS A 67 -7.443 -21.862 14.216 1.00 0.38 H new ATOM 0 HB2 LYS A 67 -7.263 -19.353 15.070 1.00 0.61 H new ATOM 0 HB3 LYS A 67 -8.622 -19.770 16.096 1.00 0.61 H new ATOM 0 HG2 LYS A 67 -7.224 -20.838 17.545 1.00 0.90 H new ATOM 0 HG3 LYS A 67 -6.720 -21.935 16.274 1.00 0.90 H new ATOM 0 HD2 LYS A 67 -5.563 -19.156 16.191 1.00 1.34 H new ATOM 0 HD3 LYS A 67 -4.998 -20.201 17.480 1.00 1.34 H new ATOM 0 HE2 LYS A 67 -4.954 -21.922 15.279 1.00 1.57 H new ATOM 0 HE3 LYS A 67 -4.508 -20.391 14.552 1.00 1.57 H new ATOM 0 HZ1 LYS A 67 -2.562 -21.560 15.397 1.00 2.25 H new ATOM 0 HZ2 LYS A 67 -2.790 -20.113 16.256 1.00 2.25 H new ATOM 0 HZ3 LYS A 67 -3.222 -21.596 16.961 1.00 2.25 H new ATOM 1084 N ASN A 68 -9.404 -23.272 14.703 1.00 0.26 N ATOM 1085 CA ASN A 68 -10.419 -24.210 15.241 1.00 0.37 C ATOM 1086 C ASN A 68 -9.979 -25.637 14.934 1.00 0.42 C ATOM 1087 O ASN A 68 -10.012 -26.509 15.779 1.00 0.51 O ATOM 1088 CB ASN A 68 -11.751 -23.925 14.578 1.00 0.50 C ATOM 1089 CG ASN A 68 -12.622 -23.091 15.519 1.00 0.72 C ATOM 1090 OD1 ASN A 68 -12.523 -21.880 15.544 1.00 1.52 O ATOM 1091 ND2 ASN A 68 -13.478 -23.691 16.300 1.00 1.18 N ATOM 0 H ASN A 68 -8.771 -23.676 14.012 1.00 0.26 H new ATOM 0 HA ASN A 68 -10.520 -24.086 16.319 1.00 0.37 H new ATOM 0 HB2 ASN A 68 -11.596 -23.391 13.641 1.00 0.50 H new ATOM 0 HB3 ASN A 68 -12.254 -24.860 14.333 1.00 0.50 H new ATOM 0 HD21 ASN A 68 -14.063 -23.144 16.931 1.00 1.18 H new ATOM 0 HD22 ASN A 68 -13.562 -24.707 16.280 1.00 1.18 H new ATOM 1098 N SER A 69 -9.560 -25.877 13.721 1.00 0.43 N ATOM 1099 CA SER A 69 -9.109 -27.245 13.346 1.00 0.59 C ATOM 1100 C SER A 69 -7.916 -27.643 14.219 1.00 0.56 C ATOM 1101 O SER A 69 -7.713 -27.104 15.289 1.00 0.58 O ATOM 1102 CB SER A 69 -8.694 -27.254 11.875 1.00 0.71 C ATOM 1103 OG SER A 69 -7.626 -26.336 11.683 1.00 0.66 O ATOM 0 H SER A 69 -9.511 -25.184 12.974 1.00 0.43 H new ATOM 0 HA SER A 69 -9.922 -27.955 13.498 1.00 0.59 H new ATOM 0 HB2 SER A 69 -8.385 -28.256 11.578 1.00 0.71 H new ATOM 0 HB3 SER A 69 -9.541 -26.982 11.245 1.00 0.71 H new ATOM 0 HG SER A 69 -7.645 -26.000 10.763 1.00 0.66 H new ATOM 1109 N SER A 70 -7.127 -28.584 13.776 1.00 0.63 N ATOM 1110 CA SER A 70 -5.952 -29.011 14.587 1.00 0.68 C ATOM 1111 C SER A 70 -4.661 -28.597 13.878 1.00 0.62 C ATOM 1112 O SER A 70 -4.665 -28.231 12.718 1.00 0.58 O ATOM 1113 CB SER A 70 -5.976 -30.531 14.755 1.00 0.81 C ATOM 1114 OG SER A 70 -6.739 -31.108 13.704 1.00 0.95 O ATOM 0 H SER A 70 -7.245 -29.074 12.889 1.00 0.63 H new ATOM 0 HA SER A 70 -5.995 -28.535 15.566 1.00 0.68 H new ATOM 0 HB2 SER A 70 -4.960 -30.926 14.741 1.00 0.81 H new ATOM 0 HB3 SER A 70 -6.408 -30.795 15.720 1.00 0.81 H new ATOM 0 HG SER A 70 -6.136 -31.516 13.048 1.00 0.95 H new ATOM 1120 N GLN A 71 -3.553 -28.653 14.567 1.00 0.68 N ATOM 1121 CA GLN A 71 -2.262 -28.265 13.934 1.00 0.68 C ATOM 1122 C GLN A 71 -2.137 -28.952 12.573 1.00 0.58 C ATOM 1123 O GLN A 71 -1.778 -28.338 11.588 1.00 0.61 O ATOM 1124 CB GLN A 71 -1.103 -28.699 14.834 1.00 0.77 C ATOM 1125 CG GLN A 71 -0.176 -27.508 15.085 1.00 1.57 C ATOM 1126 CD GLN A 71 1.020 -27.959 15.925 1.00 1.97 C ATOM 1127 OE1 GLN A 71 0.996 -29.020 16.516 1.00 2.57 O ATOM 1128 NE2 GLN A 71 2.073 -27.193 16.003 1.00 2.41 N ATOM 0 H GLN A 71 -3.487 -28.951 15.540 1.00 0.68 H new ATOM 0 HA GLN A 71 -2.232 -27.184 13.800 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -1.487 -29.080 15.780 1.00 0.77 H new ATOM 0 HB3 GLN A 71 -0.549 -29.512 14.364 1.00 0.77 H new ATOM 0 HG2 GLN A 71 0.168 -27.095 14.137 1.00 1.57 H new ATOM 0 HG3 GLN A 71 -0.717 -26.715 15.601 1.00 1.57 H new ATOM 0 HE21 GLN A 71 2.093 -26.302 15.507 1.00 2.41 H new ATOM 0 HE22 GLN A 71 2.876 -27.485 16.560 1.00 2.41 H new ATOM 1137 N ASP A 72 -2.432 -30.222 12.510 1.00 0.58 N ATOM 1138 CA ASP A 72 -2.329 -30.943 11.211 1.00 0.57 C ATOM 1139 C ASP A 72 -3.190 -30.232 10.170 1.00 0.52 C ATOM 1140 O ASP A 72 -2.793 -30.072 9.034 1.00 0.51 O ATOM 1141 CB ASP A 72 -2.814 -32.384 11.382 1.00 0.67 C ATOM 1142 CG ASP A 72 -4.321 -32.389 11.644 1.00 0.77 C ATOM 1143 OD1 ASP A 72 -4.704 -32.235 12.792 1.00 1.41 O ATOM 1144 OD2 ASP A 72 -5.067 -32.546 10.692 1.00 1.30 O ATOM 0 H ASP A 72 -2.739 -30.790 13.300 1.00 0.58 H new ATOM 0 HA ASP A 72 -1.290 -30.952 10.881 1.00 0.57 H new ATOM 0 HB2 ASP A 72 -2.588 -32.963 10.487 1.00 0.67 H new ATOM 0 HB3 ASP A 72 -2.289 -32.860 12.210 1.00 0.67 H new ATOM 1149 N GLU A 73 -4.360 -29.794 10.544 1.00 0.53 N ATOM 1150 CA GLU A 73 -5.220 -29.084 9.561 1.00 0.52 C ATOM 1151 C GLU A 73 -4.426 -27.916 8.987 1.00 0.46 C ATOM 1152 O GLU A 73 -4.462 -27.650 7.803 1.00 0.42 O ATOM 1153 CB GLU A 73 -6.481 -28.563 10.251 1.00 0.64 C ATOM 1154 CG GLU A 73 -7.618 -28.472 9.231 1.00 0.87 C ATOM 1155 CD GLU A 73 -7.823 -29.836 8.571 1.00 1.75 C ATOM 1156 OE1 GLU A 73 -7.324 -30.813 9.105 1.00 2.37 O ATOM 1157 OE2 GLU A 73 -8.476 -29.882 7.541 1.00 2.34 O ATOM 0 H GLU A 73 -4.754 -29.896 11.479 1.00 0.53 H new ATOM 0 HA GLU A 73 -5.517 -29.765 8.764 1.00 0.52 H new ATOM 0 HB2 GLU A 73 -6.763 -29.227 11.068 1.00 0.64 H new ATOM 0 HB3 GLU A 73 -6.291 -27.583 10.689 1.00 0.64 H new ATOM 0 HG2 GLU A 73 -8.537 -28.152 9.723 1.00 0.87 H new ATOM 0 HG3 GLU A 73 -7.384 -27.722 8.475 1.00 0.87 H new ATOM 1164 N GLN A 74 -3.690 -27.227 9.815 1.00 0.48 N ATOM 1165 CA GLN A 74 -2.876 -26.094 9.302 1.00 0.48 C ATOM 1166 C GLN A 74 -1.909 -26.644 8.256 1.00 0.41 C ATOM 1167 O GLN A 74 -1.629 -26.011 7.257 1.00 0.40 O ATOM 1168 CB GLN A 74 -2.091 -25.456 10.451 1.00 0.60 C ATOM 1169 CG GLN A 74 -0.998 -24.548 9.883 1.00 1.34 C ATOM 1170 CD GLN A 74 -0.606 -23.504 10.931 1.00 1.63 C ATOM 1171 OE1 GLN A 74 -0.103 -22.450 10.596 1.00 2.35 O ATOM 1172 NE2 GLN A 74 -0.815 -23.755 12.194 1.00 1.82 N ATOM 0 H GLN A 74 -3.618 -27.399 10.818 1.00 0.48 H new ATOM 0 HA GLN A 74 -3.520 -25.334 8.860 1.00 0.48 H new ATOM 0 HB2 GLN A 74 -2.762 -24.880 11.088 1.00 0.60 H new ATOM 0 HB3 GLN A 74 -1.646 -26.231 11.075 1.00 0.60 H new ATOM 0 HG2 GLN A 74 -0.128 -25.141 9.602 1.00 1.34 H new ATOM 0 HG3 GLN A 74 -1.354 -24.055 8.978 1.00 1.34 H new ATOM 0 HE21 GLN A 74 -1.237 -24.640 12.475 1.00 1.82 H new ATOM 0 HE22 GLN A 74 -0.556 -23.066 12.900 1.00 1.82 H new ATOM 1181 N GLY A 75 -1.406 -27.832 8.473 1.00 0.42 N ATOM 1182 CA GLY A 75 -0.471 -28.433 7.485 1.00 0.42 C ATOM 1183 C GLY A 75 -1.253 -28.814 6.227 1.00 0.39 C ATOM 1184 O GLY A 75 -0.710 -28.881 5.144 1.00 0.47 O ATOM 0 H GLY A 75 -1.604 -28.408 9.291 1.00 0.42 H new ATOM 0 HA2 GLY A 75 0.320 -27.725 7.237 1.00 0.42 H new ATOM 0 HA3 GLY A 75 0.011 -29.314 7.910 1.00 0.42 H new ATOM 1188 N ALA A 76 -2.531 -29.059 6.363 1.00 0.35 N ATOM 1189 CA ALA A 76 -3.349 -29.429 5.175 1.00 0.39 C ATOM 1190 C ALA A 76 -3.604 -28.182 4.328 1.00 0.36 C ATOM 1191 O ALA A 76 -3.136 -28.074 3.215 1.00 0.45 O ATOM 1192 CB ALA A 76 -4.685 -30.015 5.637 1.00 0.47 C ATOM 0 H ALA A 76 -3.041 -29.018 7.246 1.00 0.35 H new ATOM 0 HA ALA A 76 -2.815 -30.171 4.581 1.00 0.39 H new ATOM 0 HB1 ALA A 76 -5.284 -30.286 4.767 1.00 0.47 H new ATOM 0 HB2 ALA A 76 -4.503 -30.903 6.243 1.00 0.47 H new ATOM 0 HB3 ALA A 76 -5.221 -29.275 6.230 1.00 0.47 H new ATOM 1198 N ALA A 77 -4.340 -27.238 4.844 1.00 0.27 N ATOM 1199 CA ALA A 77 -4.618 -26.000 4.062 1.00 0.27 C ATOM 1200 C ALA A 77 -3.317 -25.492 3.437 1.00 0.22 C ATOM 1201 O ALA A 77 -3.302 -24.997 2.327 1.00 0.24 O ATOM 1202 CB ALA A 77 -5.191 -24.927 4.988 1.00 0.36 C ATOM 0 H ALA A 77 -4.761 -27.269 5.773 1.00 0.27 H new ATOM 0 HA ALA A 77 -5.339 -26.221 3.275 1.00 0.27 H new ATOM 0 HB1 ALA A 77 -5.394 -24.022 4.415 1.00 0.36 H new ATOM 0 HB2 ALA A 77 -6.117 -25.289 5.435 1.00 0.36 H new ATOM 0 HB3 ALA A 77 -4.471 -24.704 5.776 1.00 0.36 H new ATOM 1208 N ALA A 78 -2.224 -25.607 4.141 1.00 0.28 N ATOM 1209 CA ALA A 78 -0.926 -25.128 3.587 1.00 0.31 C ATOM 1210 C ALA A 78 -0.456 -26.080 2.485 1.00 0.30 C ATOM 1211 O ALA A 78 0.090 -25.663 1.483 1.00 0.33 O ATOM 1212 CB ALA A 78 0.120 -25.085 4.703 1.00 0.40 C ATOM 0 H ALA A 78 -2.174 -26.012 5.076 1.00 0.28 H new ATOM 0 HA ALA A 78 -1.057 -24.129 3.171 1.00 0.31 H new ATOM 0 HB1 ALA A 78 1.070 -24.735 4.298 1.00 0.40 H new ATOM 0 HB2 ALA A 78 -0.213 -24.406 5.488 1.00 0.40 H new ATOM 0 HB3 ALA A 78 0.249 -26.084 5.119 1.00 0.40 H new ATOM 1218 N ILE A 79 -0.660 -27.358 2.661 1.00 0.32 N ATOM 1219 CA ILE A 79 -0.221 -28.331 1.622 1.00 0.36 C ATOM 1220 C ILE A 79 -0.951 -28.041 0.307 1.00 0.36 C ATOM 1221 O ILE A 79 -0.340 -27.929 -0.737 1.00 0.38 O ATOM 1222 CB ILE A 79 -0.535 -29.756 2.086 1.00 0.43 C ATOM 1223 CG1 ILE A 79 0.468 -30.169 3.166 1.00 0.50 C ATOM 1224 CG2 ILE A 79 -0.422 -30.718 0.901 1.00 0.50 C ATOM 1225 CD1 ILE A 79 -0.186 -31.177 4.114 1.00 1.40 C ATOM 0 H ILE A 79 -1.111 -27.769 3.478 1.00 0.32 H new ATOM 0 HA ILE A 79 0.853 -28.234 1.466 1.00 0.36 H new ATOM 0 HB ILE A 79 -1.547 -29.791 2.489 1.00 0.43 H new ATOM 0 HG12 ILE A 79 1.353 -30.608 2.706 1.00 0.50 H new ATOM 0 HG13 ILE A 79 0.800 -29.293 3.723 1.00 0.50 H new ATOM 0 HG21 ILE A 79 -0.646 -31.732 1.233 1.00 0.50 H new ATOM 0 HG22 ILE A 79 -1.130 -30.425 0.126 1.00 0.50 H new ATOM 0 HG23 ILE A 79 0.591 -30.683 0.499 1.00 0.50 H new ATOM 0 HD11 ILE A 79 0.529 -31.470 4.883 1.00 1.40 H new ATOM 0 HD12 ILE A 79 -1.058 -30.722 4.584 1.00 1.40 H new ATOM 0 HD13 ILE A 79 -0.496 -32.058 3.551 1.00 1.40 H new ATOM 1237 N TYR A 80 -2.251 -27.917 0.344 1.00 0.37 N ATOM 1238 CA TYR A 80 -3.001 -27.630 -0.911 1.00 0.41 C ATOM 1239 C TYR A 80 -2.461 -26.338 -1.527 1.00 0.37 C ATOM 1240 O TYR A 80 -2.226 -26.255 -2.716 1.00 0.41 O ATOM 1241 CB TYR A 80 -4.489 -27.471 -0.594 1.00 0.47 C ATOM 1242 CG TYR A 80 -5.004 -28.741 0.040 1.00 0.54 C ATOM 1243 CD1 TYR A 80 -5.344 -29.836 -0.764 1.00 1.24 C ATOM 1244 CD2 TYR A 80 -5.140 -28.825 1.430 1.00 1.38 C ATOM 1245 CE1 TYR A 80 -5.818 -31.015 -0.177 1.00 1.28 C ATOM 1246 CE2 TYR A 80 -5.615 -30.004 2.017 1.00 1.48 C ATOM 1247 CZ TYR A 80 -5.954 -31.099 1.214 1.00 0.83 C ATOM 1248 OH TYR A 80 -6.421 -32.261 1.793 1.00 1.00 O ATOM 0 H TYR A 80 -2.823 -28.002 1.185 1.00 0.37 H new ATOM 0 HA TYR A 80 -2.874 -28.453 -1.615 1.00 0.41 H new ATOM 0 HB2 TYR A 80 -4.641 -26.628 0.080 1.00 0.47 H new ATOM 0 HB3 TYR A 80 -5.046 -27.255 -1.506 1.00 0.47 H new ATOM 0 HD1 TYR A 80 -5.240 -29.771 -1.837 1.00 1.24 H new ATOM 0 HD2 TYR A 80 -4.879 -27.980 2.050 1.00 1.38 H new ATOM 0 HE1 TYR A 80 -6.079 -31.860 -0.797 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -5.720 -30.069 3.090 1.00 1.48 H new ATOM 0 HH TYR A 80 -6.454 -32.151 2.766 1.00 1.00 H new ATOM 1258 N THR A 81 -2.248 -25.332 -0.722 1.00 0.34 N ATOM 1259 CA THR A 81 -1.708 -24.050 -1.256 1.00 0.32 C ATOM 1260 C THR A 81 -0.299 -24.300 -1.799 1.00 0.30 C ATOM 1261 O THR A 81 0.184 -23.592 -2.660 1.00 0.36 O ATOM 1262 CB THR A 81 -1.652 -23.014 -0.127 1.00 0.33 C ATOM 1263 OG1 THR A 81 -2.961 -22.523 0.125 1.00 0.40 O ATOM 1264 CG2 THR A 81 -0.738 -21.853 -0.527 1.00 0.34 C ATOM 0 H THR A 81 -2.425 -25.343 0.282 1.00 0.34 H new ATOM 0 HA THR A 81 -2.349 -23.675 -2.054 1.00 0.32 H new ATOM 0 HB THR A 81 -1.256 -23.484 0.773 1.00 0.33 H new ATOM 0 HG1 THR A 81 -2.905 -21.689 0.637 1.00 0.40 H new ATOM 0 HG21 THR A 81 -0.704 -21.122 0.281 1.00 0.34 H new ATOM 0 HG22 THR A 81 0.267 -22.230 -0.718 1.00 0.34 H new ATOM 0 HG23 THR A 81 -1.125 -21.379 -1.429 1.00 0.34 H new ATOM 1272 N THR A 82 0.358 -25.308 -1.297 1.00 0.27 N ATOM 1273 CA THR A 82 1.735 -25.622 -1.771 1.00 0.28 C ATOM 1274 C THR A 82 1.650 -26.472 -3.042 1.00 0.24 C ATOM 1275 O THR A 82 2.587 -26.551 -3.811 1.00 0.36 O ATOM 1276 CB THR A 82 2.477 -26.396 -0.672 1.00 0.35 C ATOM 1277 OG1 THR A 82 2.923 -25.487 0.323 1.00 0.47 O ATOM 1278 CG2 THR A 82 3.681 -27.131 -1.267 1.00 0.34 C ATOM 0 H THR A 82 -0.002 -25.932 -0.574 1.00 0.27 H new ATOM 0 HA THR A 82 2.274 -24.701 -1.992 1.00 0.28 H new ATOM 0 HB THR A 82 1.799 -27.126 -0.229 1.00 0.35 H new ATOM 0 HG1 THR A 82 2.188 -25.293 0.942 1.00 0.47 H new ATOM 0 HG21 THR A 82 4.200 -27.677 -0.479 1.00 0.34 H new ATOM 0 HG22 THR A 82 3.339 -27.832 -2.029 1.00 0.34 H new ATOM 0 HG23 THR A 82 4.362 -26.409 -1.717 1.00 0.34 H new ATOM 1286 N GLN A 83 0.534 -27.110 -3.267 1.00 0.32 N ATOM 1287 CA GLN A 83 0.391 -27.954 -4.485 1.00 0.35 C ATOM 1288 C GLN A 83 -0.041 -27.081 -5.664 1.00 0.34 C ATOM 1289 O GLN A 83 0.313 -27.333 -6.799 1.00 0.44 O ATOM 1290 CB GLN A 83 -0.664 -29.034 -4.236 1.00 0.43 C ATOM 1291 CG GLN A 83 -0.087 -30.107 -3.311 1.00 0.71 C ATOM 1292 CD GLN A 83 -0.577 -31.485 -3.760 1.00 0.89 C ATOM 1293 OE1 GLN A 83 -1.633 -31.605 -4.349 1.00 1.75 O ATOM 1294 NE2 GLN A 83 0.151 -32.538 -3.506 1.00 1.39 N ATOM 0 H GLN A 83 -0.285 -27.083 -2.659 1.00 0.32 H new ATOM 0 HA GLN A 83 1.347 -28.425 -4.714 1.00 0.35 H new ATOM 0 HB2 GLN A 83 -1.554 -28.592 -3.787 1.00 0.43 H new ATOM 0 HB3 GLN A 83 -0.972 -29.481 -5.181 1.00 0.43 H new ATOM 0 HG2 GLN A 83 1.002 -30.072 -3.331 1.00 0.71 H new ATOM 0 HG3 GLN A 83 -0.393 -29.918 -2.282 1.00 0.71 H new ATOM 0 HE21 GLN A 83 1.038 -32.438 -3.012 1.00 1.39 H new ATOM 0 HE22 GLN A 83 -0.167 -33.461 -3.802 1.00 1.39 H new ATOM 1303 N MET A 84 -0.803 -26.053 -5.406 1.00 0.29 N ATOM 1304 CA MET A 84 -1.255 -25.166 -6.515 1.00 0.33 C ATOM 1305 C MET A 84 -0.200 -24.086 -6.764 1.00 0.30 C ATOM 1306 O MET A 84 -0.169 -23.465 -7.807 1.00 0.40 O ATOM 1307 CB MET A 84 -2.582 -24.507 -6.134 1.00 0.48 C ATOM 1308 CG MET A 84 -2.448 -23.836 -4.767 1.00 1.12 C ATOM 1309 SD MET A 84 -3.864 -22.744 -4.491 1.00 1.23 S ATOM 1310 CE MET A 84 -5.143 -24.025 -4.493 1.00 0.90 C ATOM 0 H MET A 84 -1.131 -25.790 -4.477 1.00 0.29 H new ATOM 0 HA MET A 84 -1.392 -25.757 -7.421 1.00 0.33 H new ATOM 0 HB2 MET A 84 -2.863 -23.770 -6.886 1.00 0.48 H new ATOM 0 HB3 MET A 84 -3.376 -25.253 -6.108 1.00 0.48 H new ATOM 0 HG2 MET A 84 -2.399 -24.591 -3.982 1.00 1.12 H new ATOM 0 HG3 MET A 84 -1.520 -23.266 -4.719 1.00 1.12 H new ATOM 0 HE1 MET A 84 -5.889 -23.796 -3.732 1.00 0.90 H new ATOM 0 HE2 MET A 84 -5.622 -24.059 -5.471 1.00 0.90 H new ATOM 0 HE3 MET A 84 -4.689 -24.992 -4.277 1.00 0.90 H new ATOM 1320 N ASP A 85 0.665 -23.859 -5.814 1.00 0.29 N ATOM 1321 CA ASP A 85 1.718 -22.820 -5.998 1.00 0.35 C ATOM 1322 C ASP A 85 2.698 -23.277 -7.079 1.00 0.41 C ATOM 1323 O ASP A 85 3.143 -22.497 -7.898 1.00 0.57 O ATOM 1324 CB ASP A 85 2.469 -22.617 -4.680 1.00 0.43 C ATOM 1325 CG ASP A 85 3.220 -21.284 -4.721 1.00 0.61 C ATOM 1326 OD1 ASP A 85 2.741 -20.378 -5.383 1.00 1.32 O ATOM 1327 OD2 ASP A 85 4.260 -21.193 -4.090 1.00 1.20 O ATOM 0 H ASP A 85 0.688 -24.347 -4.919 1.00 0.29 H new ATOM 0 HA ASP A 85 1.255 -21.881 -6.300 1.00 0.35 H new ATOM 0 HB2 ASP A 85 1.769 -22.627 -3.845 1.00 0.43 H new ATOM 0 HB3 ASP A 85 3.169 -23.436 -4.518 1.00 0.43 H new ATOM 1332 N GLU A 86 3.039 -24.537 -7.090 1.00 0.45 N ATOM 1333 CA GLU A 86 3.990 -25.043 -8.119 1.00 0.59 C ATOM 1334 C GLU A 86 3.208 -25.506 -9.351 1.00 0.54 C ATOM 1335 O GLU A 86 3.638 -25.328 -10.473 1.00 0.73 O ATOM 1336 CB GLU A 86 4.782 -26.220 -7.547 1.00 0.77 C ATOM 1337 CG GLU A 86 6.107 -25.713 -6.974 1.00 1.33 C ATOM 1338 CD GLU A 86 6.922 -26.896 -6.446 1.00 1.63 C ATOM 1339 OE1 GLU A 86 6.665 -27.315 -5.330 1.00 1.97 O ATOM 1340 OE2 GLU A 86 7.788 -27.362 -7.168 1.00 2.21 O ATOM 0 H GLU A 86 2.700 -25.237 -6.431 1.00 0.45 H new ATOM 0 HA GLU A 86 4.677 -24.246 -8.402 1.00 0.59 H new ATOM 0 HB2 GLU A 86 4.203 -26.717 -6.769 1.00 0.77 H new ATOM 0 HB3 GLU A 86 4.969 -26.959 -8.326 1.00 0.77 H new ATOM 0 HG2 GLU A 86 6.670 -25.185 -7.744 1.00 1.33 H new ATOM 0 HG3 GLU A 86 5.919 -25.000 -6.171 1.00 1.33 H new ATOM 1347 N TYR A 87 2.062 -26.097 -9.150 1.00 0.53 N ATOM 1348 CA TYR A 87 1.255 -26.570 -10.309 1.00 0.50 C ATOM 1349 C TYR A 87 0.755 -25.364 -11.108 1.00 0.41 C ATOM 1350 O TYR A 87 0.348 -25.487 -12.246 1.00 0.52 O ATOM 1351 CB TYR A 87 0.058 -27.377 -9.801 1.00 0.52 C ATOM 1352 CG TYR A 87 0.429 -28.839 -9.734 1.00 0.70 C ATOM 1353 CD1 TYR A 87 1.401 -29.274 -8.825 1.00 1.29 C ATOM 1354 CD2 TYR A 87 -0.200 -29.760 -10.581 1.00 1.44 C ATOM 1355 CE1 TYR A 87 1.745 -30.630 -8.763 1.00 1.53 C ATOM 1356 CE2 TYR A 87 0.144 -31.116 -10.518 1.00 1.64 C ATOM 1357 CZ TYR A 87 1.116 -31.551 -9.610 1.00 1.32 C ATOM 1358 OH TYR A 87 1.455 -32.887 -9.548 1.00 1.67 O ATOM 0 H TYR A 87 1.650 -26.272 -8.233 1.00 0.53 H new ATOM 0 HA TYR A 87 1.873 -27.200 -10.950 1.00 0.50 H new ATOM 0 HB2 TYR A 87 -0.242 -27.021 -8.815 1.00 0.52 H new ATOM 0 HB3 TYR A 87 -0.796 -27.237 -10.464 1.00 0.52 H new ATOM 0 HD1 TYR A 87 1.886 -28.564 -8.172 1.00 1.29 H new ATOM 0 HD2 TYR A 87 -0.950 -29.425 -11.282 1.00 1.44 H new ATOM 0 HE1 TYR A 87 2.495 -30.965 -8.062 1.00 1.53 H new ATOM 0 HE2 TYR A 87 -0.341 -31.827 -11.171 1.00 1.64 H new ATOM 0 HH TYR A 87 0.925 -33.390 -10.201 1.00 1.67 H new ATOM 1368 N LEU A 88 0.782 -24.199 -10.521 1.00 0.34 N ATOM 1369 CA LEU A 88 0.308 -22.988 -11.247 1.00 0.34 C ATOM 1370 C LEU A 88 1.420 -22.475 -12.165 1.00 0.45 C ATOM 1371 O LEU A 88 1.167 -21.806 -13.148 1.00 0.83 O ATOM 1372 CB LEU A 88 -0.063 -21.900 -10.237 1.00 0.39 C ATOM 1373 CG LEU A 88 -1.507 -22.104 -9.775 1.00 0.38 C ATOM 1374 CD1 LEU A 88 -1.768 -21.265 -8.523 1.00 0.44 C ATOM 1375 CD2 LEU A 88 -2.463 -21.669 -10.887 1.00 0.44 C ATOM 0 H LEU A 88 1.112 -24.034 -9.570 1.00 0.34 H new ATOM 0 HA LEU A 88 -0.567 -23.242 -11.845 1.00 0.34 H new ATOM 0 HB2 LEU A 88 0.612 -21.937 -9.382 1.00 0.39 H new ATOM 0 HB3 LEU A 88 0.050 -20.915 -10.690 1.00 0.39 H new ATOM 0 HG LEU A 88 -1.669 -23.157 -9.546 1.00 0.38 H new ATOM 0 HD11 LEU A 88 -2.797 -21.411 -8.195 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -1.087 -21.573 -7.730 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -1.606 -20.211 -8.751 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -3.492 -21.814 -10.559 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -2.300 -20.616 -11.116 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -2.279 -22.267 -11.780 1.00 0.44 H new ATOM 1387 N GLY A 89 2.649 -22.784 -11.855 1.00 0.49 N ATOM 1388 CA GLY A 89 3.774 -22.314 -12.713 1.00 0.58 C ATOM 1389 C GLY A 89 4.772 -21.522 -11.865 1.00 0.40 C ATOM 1390 O GLY A 89 5.698 -20.925 -12.376 1.00 0.66 O ATOM 0 H GLY A 89 2.923 -23.341 -11.046 1.00 0.49 H new ATOM 0 HA2 GLY A 89 4.271 -23.166 -13.177 1.00 0.58 H new ATOM 0 HA3 GLY A 89 3.392 -21.690 -13.521 1.00 0.58 H new ATOM 1394 N SER A 90 4.591 -21.512 -10.572 1.00 0.59 N ATOM 1395 CA SER A 90 5.530 -20.758 -9.694 1.00 1.06 C ATOM 1396 C SER A 90 5.234 -19.259 -9.791 1.00 0.68 C ATOM 1397 O SER A 90 5.871 -18.449 -9.147 1.00 0.57 O ATOM 1398 CB SER A 90 6.969 -21.022 -10.141 1.00 1.70 C ATOM 1399 OG SER A 90 7.749 -21.397 -9.014 1.00 2.25 O ATOM 0 H SER A 90 3.834 -21.993 -10.086 1.00 0.59 H new ATOM 0 HA SER A 90 5.402 -21.086 -8.663 1.00 1.06 H new ATOM 0 HB2 SER A 90 6.990 -21.812 -10.891 1.00 1.70 H new ATOM 0 HB3 SER A 90 7.387 -20.129 -10.606 1.00 1.70 H new ATOM 0 HG SER A 90 8.671 -21.569 -9.297 1.00 2.25 H new ATOM 1405 N VAL A 91 4.272 -18.882 -10.590 1.00 0.72 N ATOM 1406 CA VAL A 91 3.939 -17.436 -10.723 1.00 0.61 C ATOM 1407 C VAL A 91 3.000 -17.026 -9.587 1.00 0.49 C ATOM 1408 O VAL A 91 2.772 -15.856 -9.347 1.00 0.60 O ATOM 1409 CB VAL A 91 3.251 -17.192 -12.067 1.00 1.00 C ATOM 1410 CG1 VAL A 91 4.224 -17.509 -13.204 1.00 1.12 C ATOM 1411 CG2 VAL A 91 2.023 -18.098 -12.181 1.00 1.28 C ATOM 0 H VAL A 91 3.704 -19.513 -11.155 1.00 0.72 H new ATOM 0 HA VAL A 91 4.853 -16.845 -10.672 1.00 0.61 H new ATOM 0 HB VAL A 91 2.943 -16.149 -12.133 1.00 1.00 H new ATOM 0 HG11 VAL A 91 3.734 -17.335 -14.162 1.00 1.12 H new ATOM 0 HG12 VAL A 91 5.100 -16.866 -13.123 1.00 1.12 H new ATOM 0 HG13 VAL A 91 4.533 -18.552 -13.139 1.00 1.12 H new ATOM 0 HG21 VAL A 91 1.531 -17.926 -13.138 1.00 1.28 H new ATOM 0 HG22 VAL A 91 2.333 -19.141 -12.115 1.00 1.28 H new ATOM 0 HG23 VAL A 91 1.329 -17.874 -11.371 1.00 1.28 H new ATOM 1421 N ALA A 92 2.454 -17.981 -8.886 1.00 0.40 N ATOM 1422 CA ALA A 92 1.529 -17.650 -7.765 1.00 0.28 C ATOM 1423 C ALA A 92 2.342 -17.216 -6.544 1.00 0.25 C ATOM 1424 O ALA A 92 3.554 -17.291 -6.534 1.00 0.34 O ATOM 1425 CB ALA A 92 0.700 -18.885 -7.409 1.00 0.32 C ATOM 0 H ALA A 92 2.608 -18.977 -9.041 1.00 0.40 H new ATOM 0 HA ALA A 92 0.866 -16.840 -8.068 1.00 0.28 H new ATOM 0 HB1 ALA A 92 0.023 -18.645 -6.589 1.00 0.32 H new ATOM 0 HB2 ALA A 92 0.121 -19.198 -8.278 1.00 0.32 H new ATOM 0 HB3 ALA A 92 1.364 -19.694 -7.106 1.00 0.32 H new ATOM 1431 N VAL A 93 1.681 -16.767 -5.514 1.00 0.21 N ATOM 1432 CA VAL A 93 2.409 -16.331 -4.291 1.00 0.24 C ATOM 1433 C VAL A 93 1.806 -17.030 -3.073 1.00 0.20 C ATOM 1434 O VAL A 93 0.836 -17.751 -3.178 1.00 0.15 O ATOM 1435 CB VAL A 93 2.268 -14.817 -4.126 1.00 0.28 C ATOM 1436 CG1 VAL A 93 3.315 -14.311 -3.133 1.00 0.34 C ATOM 1437 CG2 VAL A 93 2.477 -14.136 -5.479 1.00 0.36 C ATOM 0 H VAL A 93 0.666 -16.683 -5.467 1.00 0.21 H new ATOM 0 HA VAL A 93 3.464 -16.590 -4.381 1.00 0.24 H new ATOM 0 HB VAL A 93 1.271 -14.584 -3.751 1.00 0.28 H new ATOM 0 HG11 VAL A 93 3.214 -13.232 -3.016 1.00 0.34 H new ATOM 0 HG12 VAL A 93 3.166 -14.796 -2.168 1.00 0.34 H new ATOM 0 HG13 VAL A 93 4.312 -14.544 -3.506 1.00 0.34 H new ATOM 0 HG21 VAL A 93 2.377 -13.057 -5.363 1.00 0.36 H new ATOM 0 HG22 VAL A 93 3.474 -14.369 -5.854 1.00 0.36 H new ATOM 0 HG23 VAL A 93 1.730 -14.496 -6.187 1.00 0.36 H new ATOM 1447 N GLN A 94 2.365 -16.821 -1.915 1.00 0.26 N ATOM 1448 CA GLN A 94 1.808 -17.473 -0.701 1.00 0.24 C ATOM 1449 C GLN A 94 1.470 -16.401 0.336 1.00 0.25 C ATOM 1450 O GLN A 94 2.252 -15.510 0.600 1.00 0.34 O ATOM 1451 CB GLN A 94 2.838 -18.445 -0.120 1.00 0.28 C ATOM 1452 CG GLN A 94 2.115 -19.601 0.574 1.00 0.98 C ATOM 1453 CD GLN A 94 3.130 -20.452 1.339 1.00 1.32 C ATOM 1454 OE1 GLN A 94 4.287 -20.516 0.971 1.00 2.16 O ATOM 1455 NE2 GLN A 94 2.745 -21.112 2.397 1.00 1.45 N ATOM 0 H GLN A 94 3.181 -16.229 -1.758 1.00 0.26 H new ATOM 0 HA GLN A 94 0.905 -18.024 -0.964 1.00 0.24 H new ATOM 0 HB2 GLN A 94 3.480 -18.828 -0.913 1.00 0.28 H new ATOM 0 HB3 GLN A 94 3.483 -17.927 0.590 1.00 0.28 H new ATOM 0 HG2 GLN A 94 1.360 -19.213 1.258 1.00 0.98 H new ATOM 0 HG3 GLN A 94 1.594 -20.212 -0.163 1.00 0.98 H new ATOM 0 HE21 GLN A 94 1.774 -21.059 2.706 1.00 1.45 H new ATOM 0 HE22 GLN A 94 3.415 -21.681 2.915 1.00 1.45 H new ATOM 1464 N HIS A 95 0.307 -16.476 0.921 1.00 0.21 N ATOM 1465 CA HIS A 95 -0.084 -15.456 1.934 1.00 0.23 C ATOM 1466 C HIS A 95 -0.553 -16.157 3.210 1.00 0.24 C ATOM 1467 O HIS A 95 -1.033 -17.271 3.175 1.00 0.23 O ATOM 1468 CB HIS A 95 -1.215 -14.602 1.367 1.00 0.21 C ATOM 1469 CG HIS A 95 -0.942 -14.331 -0.087 1.00 0.20 C ATOM 1470 ND1 HIS A 95 -0.029 -13.375 -0.507 1.00 0.27 N ATOM 1471 CD2 HIS A 95 -1.445 -14.895 -1.231 1.00 0.19 C ATOM 1472 CE1 HIS A 95 -0.010 -13.396 -1.853 1.00 0.24 C ATOM 1473 NE2 HIS A 95 -0.856 -14.304 -2.345 1.00 0.19 N ATOM 0 H HIS A 95 -0.389 -17.199 0.742 1.00 0.21 H new ATOM 0 HA HIS A 95 0.770 -14.821 2.170 1.00 0.23 H new ATOM 0 HB2 HIS A 95 -2.169 -15.117 1.481 1.00 0.21 H new ATOM 0 HB3 HIS A 95 -1.291 -13.664 1.917 1.00 0.21 H new ATOM 0 HD1 HIS A 95 0.527 -12.767 0.094 1.00 0.27 H new ATOM 0 HD2 HIS A 95 -2.186 -15.680 -1.263 1.00 0.19 H new ATOM 0 HE1 HIS A 95 0.613 -12.757 -2.460 1.00 0.24 H new ATOM 1481 N ARG A 96 -0.407 -15.518 4.340 1.00 0.30 N ATOM 1482 CA ARG A 96 -0.831 -16.157 5.618 1.00 0.34 C ATOM 1483 C ARG A 96 -2.065 -15.451 6.182 1.00 0.29 C ATOM 1484 O ARG A 96 -2.107 -14.241 6.284 1.00 0.31 O ATOM 1485 CB ARG A 96 0.310 -16.056 6.631 1.00 0.41 C ATOM 1486 CG ARG A 96 -0.166 -16.571 7.991 1.00 1.10 C ATOM 1487 CD ARG A 96 0.998 -16.545 8.983 1.00 1.13 C ATOM 1488 NE ARG A 96 0.468 -16.390 10.367 1.00 1.19 N ATOM 1489 CZ ARG A 96 1.283 -16.427 11.386 1.00 1.62 C ATOM 1490 NH1 ARG A 96 1.632 -17.574 11.901 1.00 2.43 N ATOM 1491 NH2 ARG A 96 1.748 -15.317 11.890 1.00 2.13 N ATOM 0 H ARG A 96 -0.013 -14.582 4.433 1.00 0.30 H new ATOM 0 HA ARG A 96 -1.076 -17.202 5.428 1.00 0.34 H new ATOM 0 HB2 ARG A 96 1.166 -16.638 6.289 1.00 0.41 H new ATOM 0 HB3 ARG A 96 0.642 -15.022 6.718 1.00 0.41 H new ATOM 0 HG2 ARG A 96 -0.985 -15.953 8.359 1.00 1.10 H new ATOM 0 HG3 ARG A 96 -0.551 -17.586 7.893 1.00 1.10 H new ATOM 0 HD2 ARG A 96 1.577 -17.465 8.905 1.00 1.13 H new ATOM 0 HD3 ARG A 96 1.673 -15.723 8.746 1.00 1.13 H new ATOM 0 HE ARG A 96 -0.532 -16.255 10.518 1.00 1.19 H new ATOM 0 HH11 ARG A 96 1.268 -18.442 11.507 1.00 2.43 H new ATOM 0 HH12 ARG A 96 2.269 -17.603 12.697 1.00 2.43 H new ATOM 0 HH21 ARG A 96 1.475 -14.420 11.488 1.00 2.13 H new ATOM 0 HH22 ARG A 96 2.385 -15.346 12.686 1.00 2.13 H new ATOM 1505 N GLU A 97 -3.065 -16.199 6.563 1.00 0.31 N ATOM 1506 CA GLU A 97 -4.287 -15.569 7.137 1.00 0.32 C ATOM 1507 C GLU A 97 -4.819 -16.438 8.279 1.00 0.34 C ATOM 1508 O GLU A 97 -4.444 -17.584 8.429 1.00 0.35 O ATOM 1509 CB GLU A 97 -5.356 -15.428 6.056 1.00 0.39 C ATOM 1510 CG GLU A 97 -4.750 -14.759 4.820 1.00 0.40 C ATOM 1511 CD GLU A 97 -4.499 -13.279 5.112 1.00 1.23 C ATOM 1512 OE1 GLU A 97 -4.698 -12.876 6.246 1.00 2.01 O ATOM 1513 OE2 GLU A 97 -4.111 -12.572 4.196 1.00 1.98 O ATOM 0 H GLU A 97 -3.088 -17.217 6.502 1.00 0.31 H new ATOM 0 HA GLU A 97 -4.036 -14.580 7.519 1.00 0.32 H new ATOM 0 HB2 GLU A 97 -5.754 -16.408 5.793 1.00 0.39 H new ATOM 0 HB3 GLU A 97 -6.191 -14.835 6.431 1.00 0.39 H new ATOM 0 HG2 GLU A 97 -3.816 -15.251 4.549 1.00 0.40 H new ATOM 0 HG3 GLU A 97 -5.424 -14.864 3.970 1.00 0.40 H new ATOM 1520 N VAL A 98 -5.678 -15.893 9.097 1.00 0.36 N ATOM 1521 CA VAL A 98 -6.222 -16.669 10.246 1.00 0.39 C ATOM 1522 C VAL A 98 -7.591 -16.089 10.632 1.00 0.43 C ATOM 1523 O VAL A 98 -8.184 -15.345 9.881 1.00 0.45 O ATOM 1524 CB VAL A 98 -5.246 -16.533 11.417 1.00 0.41 C ATOM 1525 CG1 VAL A 98 -5.426 -17.697 12.387 1.00 0.45 C ATOM 1526 CG2 VAL A 98 -3.809 -16.545 10.890 1.00 0.40 C ATOM 0 H VAL A 98 -6.028 -14.938 9.018 1.00 0.36 H new ATOM 0 HA VAL A 98 -6.341 -17.721 9.985 1.00 0.39 H new ATOM 0 HB VAL A 98 -5.446 -15.595 11.934 1.00 0.41 H new ATOM 0 HG11 VAL A 98 -4.727 -17.591 13.217 1.00 0.45 H new ATOM 0 HG12 VAL A 98 -6.446 -17.697 12.770 1.00 0.45 H new ATOM 0 HG13 VAL A 98 -5.233 -18.636 11.868 1.00 0.45 H new ATOM 0 HG21 VAL A 98 -3.115 -16.448 11.725 1.00 0.40 H new ATOM 0 HG22 VAL A 98 -3.621 -17.483 10.368 1.00 0.40 H new ATOM 0 HG23 VAL A 98 -3.667 -15.712 10.201 1.00 0.40 H new ATOM 1536 N GLN A 99 -8.100 -16.411 11.796 1.00 0.46 N ATOM 1537 CA GLN A 99 -9.427 -15.857 12.201 1.00 0.52 C ATOM 1538 C GLN A 99 -9.276 -14.394 12.621 1.00 0.57 C ATOM 1539 O GLN A 99 -10.223 -13.747 13.024 1.00 1.06 O ATOM 1540 CB GLN A 99 -9.996 -16.674 13.364 1.00 0.54 C ATOM 1541 CG GLN A 99 -9.195 -16.383 14.635 1.00 1.32 C ATOM 1542 CD GLN A 99 -9.924 -16.973 15.843 1.00 1.78 C ATOM 1543 OE1 GLN A 99 -9.960 -18.175 16.018 1.00 2.29 O ATOM 1544 NE2 GLN A 99 -10.510 -16.173 16.691 1.00 2.34 N ATOM 0 H GLN A 99 -7.658 -17.028 12.477 1.00 0.46 H new ATOM 0 HA GLN A 99 -10.110 -15.915 11.354 1.00 0.52 H new ATOM 0 HB2 GLN A 99 -11.046 -16.424 13.518 1.00 0.54 H new ATOM 0 HB3 GLN A 99 -9.953 -17.738 13.130 1.00 0.54 H new ATOM 0 HG2 GLN A 99 -8.196 -16.812 14.554 1.00 1.32 H new ATOM 0 HG3 GLN A 99 -9.071 -15.307 14.761 1.00 1.32 H new ATOM 0 HE21 GLN A 99 -10.480 -15.164 16.545 1.00 2.34 H new ATOM 0 HE22 GLN A 99 -10.998 -16.557 17.500 1.00 2.34 H new ATOM 1553 N GLY A 100 -8.094 -13.874 12.513 1.00 0.60 N ATOM 1554 CA GLY A 100 -7.847 -12.452 12.881 1.00 0.61 C ATOM 1555 C GLY A 100 -6.689 -11.932 12.031 1.00 0.57 C ATOM 1556 O GLY A 100 -6.043 -10.958 12.361 1.00 0.73 O ATOM 0 H GLY A 100 -7.272 -14.378 12.180 1.00 0.60 H new ATOM 0 HA2 GLY A 100 -8.742 -11.854 12.710 1.00 0.61 H new ATOM 0 HA3 GLY A 100 -7.607 -12.370 13.941 1.00 0.61 H new ATOM 1560 N HIS A 101 -6.420 -12.595 10.938 1.00 0.45 N ATOM 1561 CA HIS A 101 -5.302 -12.174 10.050 1.00 0.41 C ATOM 1562 C HIS A 101 -5.844 -11.891 8.645 1.00 0.36 C ATOM 1563 O HIS A 101 -5.220 -11.216 7.851 1.00 0.42 O ATOM 1564 CB HIS A 101 -4.278 -13.308 9.984 1.00 0.42 C ATOM 1565 CG HIS A 101 -3.186 -13.060 10.988 1.00 0.49 C ATOM 1566 ND1 HIS A 101 -2.277 -12.023 10.851 1.00 0.93 N ATOM 1567 CD2 HIS A 101 -2.846 -13.707 12.151 1.00 0.50 C ATOM 1568 CE1 HIS A 101 -1.441 -12.076 11.905 1.00 0.99 C ATOM 1569 NE2 HIS A 101 -1.743 -13.084 12.728 1.00 0.70 N ATOM 0 H HIS A 101 -6.933 -13.418 10.621 1.00 0.45 H new ATOM 0 HA HIS A 101 -4.834 -11.271 10.441 1.00 0.41 H new ATOM 0 HB2 HIS A 101 -4.763 -14.262 10.188 1.00 0.42 H new ATOM 0 HB3 HIS A 101 -3.856 -13.373 8.981 1.00 0.42 H new ATOM 0 HD2 HIS A 101 -3.357 -14.568 12.556 1.00 0.50 H new ATOM 0 HE1 HIS A 101 -0.625 -11.387 12.066 1.00 0.99 H new ATOM 0 HE2 HIS A 101 -1.268 -13.342 13.593 1.00 0.70 H new ATOM 1577 N GLU A 102 -7.003 -12.406 8.335 1.00 0.62 N ATOM 1578 CA GLU A 102 -7.594 -12.177 6.987 1.00 0.58 C ATOM 1579 C GLU A 102 -8.462 -10.907 7.025 1.00 0.57 C ATOM 1580 O GLU A 102 -9.384 -10.741 6.252 1.00 0.74 O ATOM 1581 CB GLU A 102 -8.428 -13.416 6.605 1.00 1.01 C ATOM 1582 CG GLU A 102 -9.903 -13.245 7.009 1.00 1.70 C ATOM 1583 CD GLU A 102 -9.992 -12.744 8.453 1.00 2.04 C ATOM 1584 OE1 GLU A 102 -9.504 -13.436 9.332 1.00 2.29 O ATOM 1585 OE2 GLU A 102 -10.546 -11.676 8.656 1.00 2.77 O ATOM 0 H GLU A 102 -7.568 -12.979 8.962 1.00 0.62 H new ATOM 0 HA GLU A 102 -6.816 -12.032 6.238 1.00 0.58 H new ATOM 0 HB2 GLU A 102 -8.361 -13.585 5.530 1.00 1.01 H new ATOM 0 HB3 GLU A 102 -8.015 -14.299 7.093 1.00 1.01 H new ATOM 0 HG2 GLU A 102 -10.393 -12.539 6.339 1.00 1.70 H new ATOM 0 HG3 GLU A 102 -10.429 -14.195 6.911 1.00 1.70 H new ATOM 1592 N SER A 103 -8.177 -10.024 7.941 1.00 0.61 N ATOM 1593 CA SER A 103 -8.980 -8.773 8.078 1.00 0.98 C ATOM 1594 C SER A 103 -9.194 -8.082 6.718 1.00 0.91 C ATOM 1595 O SER A 103 -9.990 -8.521 5.910 1.00 0.96 O ATOM 1596 CB SER A 103 -8.263 -7.823 9.038 1.00 1.32 C ATOM 1597 OG SER A 103 -6.875 -7.804 8.730 1.00 1.45 O ATOM 0 H SER A 103 -7.412 -10.116 8.610 1.00 0.61 H new ATOM 0 HA SER A 103 -9.962 -9.035 8.471 1.00 0.98 H new ATOM 0 HB2 SER A 103 -8.680 -6.819 8.954 1.00 1.32 H new ATOM 0 HB3 SER A 103 -8.414 -8.146 10.068 1.00 1.32 H new ATOM 0 HG SER A 103 -6.412 -7.195 9.342 1.00 1.45 H new ATOM 1603 N GLU A 104 -8.521 -6.984 6.474 1.00 0.96 N ATOM 1604 CA GLU A 104 -8.720 -6.245 5.191 1.00 1.03 C ATOM 1605 C GLU A 104 -8.189 -7.046 4.001 1.00 0.85 C ATOM 1606 O GLU A 104 -8.525 -6.769 2.868 1.00 0.97 O ATOM 1607 CB GLU A 104 -7.983 -4.907 5.263 1.00 1.24 C ATOM 1608 CG GLU A 104 -8.715 -3.972 6.228 1.00 1.49 C ATOM 1609 CD GLU A 104 -7.752 -2.892 6.723 1.00 1.72 C ATOM 1610 OE1 GLU A 104 -7.081 -3.133 7.713 1.00 2.02 O ATOM 1611 OE2 GLU A 104 -7.701 -1.842 6.103 1.00 2.24 O ATOM 0 H GLU A 104 -7.841 -6.568 7.110 1.00 0.96 H new ATOM 0 HA GLU A 104 -9.789 -6.086 5.049 1.00 1.03 H new ATOM 0 HB2 GLU A 104 -6.957 -5.062 5.598 1.00 1.24 H new ATOM 0 HB3 GLU A 104 -7.930 -4.455 4.272 1.00 1.24 H new ATOM 0 HG2 GLU A 104 -9.568 -3.512 5.729 1.00 1.49 H new ATOM 0 HG3 GLU A 104 -9.107 -4.539 7.072 1.00 1.49 H new ATOM 1618 N THR A 105 -7.362 -8.025 4.231 1.00 0.63 N ATOM 1619 CA THR A 105 -6.823 -8.815 3.086 1.00 0.56 C ATOM 1620 C THR A 105 -7.922 -9.720 2.523 1.00 0.45 C ATOM 1621 O THR A 105 -8.232 -9.686 1.345 1.00 0.49 O ATOM 1622 CB THR A 105 -5.649 -9.672 3.564 1.00 0.51 C ATOM 1623 OG1 THR A 105 -4.900 -8.948 4.531 1.00 0.53 O ATOM 1624 CG2 THR A 105 -4.751 -10.020 2.376 1.00 0.61 C ATOM 0 H THR A 105 -7.036 -8.313 5.154 1.00 0.63 H new ATOM 0 HA THR A 105 -6.481 -8.134 2.306 1.00 0.56 H new ATOM 0 HB THR A 105 -6.028 -10.591 4.010 1.00 0.51 H new ATOM 0 HG1 THR A 105 -4.148 -9.496 4.840 1.00 0.53 H new ATOM 0 HG21 THR A 105 -3.915 -10.630 2.718 1.00 0.61 H new ATOM 0 HG22 THR A 105 -5.326 -10.575 1.635 1.00 0.61 H new ATOM 0 HG23 THR A 105 -4.370 -9.103 1.927 1.00 0.61 H new ATOM 1632 N PHE A 106 -8.512 -10.533 3.350 1.00 0.36 N ATOM 1633 CA PHE A 106 -9.583 -11.439 2.859 1.00 0.27 C ATOM 1634 C PHE A 106 -10.741 -10.581 2.353 1.00 0.31 C ATOM 1635 O PHE A 106 -11.158 -10.683 1.215 1.00 0.28 O ATOM 1636 CB PHE A 106 -10.064 -12.314 4.013 1.00 0.28 C ATOM 1637 CG PHE A 106 -10.208 -13.745 3.548 1.00 0.21 C ATOM 1638 CD1 PHE A 106 -9.234 -14.307 2.712 1.00 1.16 C ATOM 1639 CD2 PHE A 106 -11.301 -14.515 3.964 1.00 1.25 C ATOM 1640 CE1 PHE A 106 -9.354 -15.636 2.291 1.00 1.20 C ATOM 1641 CE2 PHE A 106 -11.419 -15.847 3.545 1.00 1.22 C ATOM 1642 CZ PHE A 106 -10.445 -16.407 2.708 1.00 0.23 C ATOM 0 H PHE A 106 -8.299 -10.609 4.345 1.00 0.36 H new ATOM 0 HA PHE A 106 -9.208 -12.074 2.056 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -9.357 -12.261 4.841 1.00 0.28 H new ATOM 0 HB3 PHE A 106 -11.020 -11.946 4.386 1.00 0.28 H new ATOM 0 HD1 PHE A 106 -8.390 -13.714 2.392 1.00 1.16 H new ATOM 0 HD2 PHE A 106 -12.053 -14.083 4.608 1.00 1.25 H new ATOM 0 HE1 PHE A 106 -8.604 -16.067 1.644 1.00 1.20 H new ATOM 0 HE2 PHE A 106 -12.261 -16.442 3.867 1.00 1.22 H new ATOM 0 HZ PHE A 106 -10.536 -17.433 2.385 1.00 0.23 H new ATOM 1652 N ARG A 107 -11.256 -9.721 3.190 1.00 0.45 N ATOM 1653 CA ARG A 107 -12.375 -8.844 2.757 1.00 0.51 C ATOM 1654 C ARG A 107 -11.922 -8.030 1.545 1.00 0.52 C ATOM 1655 O ARG A 107 -12.712 -7.676 0.693 1.00 0.58 O ATOM 1656 CB ARG A 107 -12.760 -7.899 3.897 1.00 0.61 C ATOM 1657 CG ARG A 107 -14.206 -7.435 3.708 1.00 0.80 C ATOM 1658 CD ARG A 107 -14.836 -7.159 5.074 1.00 0.82 C ATOM 1659 NE ARG A 107 -14.147 -6.004 5.715 1.00 1.11 N ATOM 1660 CZ ARG A 107 -14.774 -4.869 5.861 1.00 1.25 C ATOM 1661 NH1 ARG A 107 -16.038 -4.859 6.187 1.00 1.73 N ATOM 1662 NH2 ARG A 107 -14.138 -3.744 5.681 1.00 1.95 N ATOM 0 H ARG A 107 -10.949 -9.590 4.154 1.00 0.45 H new ATOM 0 HA ARG A 107 -13.240 -9.452 2.493 1.00 0.51 H new ATOM 0 HB2 ARG A 107 -12.652 -8.406 4.856 1.00 0.61 H new ATOM 0 HB3 ARG A 107 -12.090 -7.039 3.913 1.00 0.61 H new ATOM 0 HG2 ARG A 107 -14.233 -6.534 3.095 1.00 0.80 H new ATOM 0 HG3 ARG A 107 -14.778 -8.198 3.179 1.00 0.80 H new ATOM 0 HD2 ARG A 107 -15.899 -6.944 4.960 1.00 0.82 H new ATOM 0 HD3 ARG A 107 -14.756 -8.042 5.708 1.00 0.82 H new ATOM 0 HE ARG A 107 -13.185 -6.100 6.040 1.00 1.11 H new ATOM 0 HH11 ARG A 107 -16.535 -5.738 6.328 1.00 1.73 H new ATOM 0 HH12 ARG A 107 -16.528 -3.972 6.301 1.00 1.73 H new ATOM 0 HH21 ARG A 107 -13.150 -3.752 5.426 1.00 1.95 H new ATOM 0 HH22 ARG A 107 -14.628 -2.857 5.795 1.00 1.95 H new ATOM 1676 N ALA A 108 -10.650 -7.740 1.453 1.00 0.53 N ATOM 1677 CA ALA A 108 -10.154 -6.964 0.284 1.00 0.60 C ATOM 1678 C ALA A 108 -10.616 -7.670 -0.986 1.00 0.57 C ATOM 1679 O ALA A 108 -11.244 -7.083 -1.845 1.00 0.69 O ATOM 1680 CB ALA A 108 -8.625 -6.898 0.307 1.00 0.62 C ATOM 0 H ALA A 108 -9.939 -8.006 2.134 1.00 0.53 H new ATOM 0 HA ALA A 108 -10.546 -5.947 0.319 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -8.272 -6.328 -0.553 1.00 0.62 H new ATOM 0 HB2 ALA A 108 -8.296 -6.411 1.225 1.00 0.62 H new ATOM 0 HB3 ALA A 108 -8.217 -7.908 0.265 1.00 0.62 H new ATOM 1686 N TYR A 109 -10.325 -8.937 -1.102 1.00 0.46 N ATOM 1687 CA TYR A 109 -10.766 -9.689 -2.308 1.00 0.50 C ATOM 1688 C TYR A 109 -12.295 -9.736 -2.323 1.00 0.51 C ATOM 1689 O TYR A 109 -12.913 -9.896 -3.356 1.00 0.65 O ATOM 1690 CB TYR A 109 -10.209 -11.113 -2.256 1.00 0.51 C ATOM 1691 CG TYR A 109 -8.703 -11.062 -2.164 1.00 0.46 C ATOM 1692 CD1 TYR A 109 -7.972 -10.292 -3.077 1.00 1.21 C ATOM 1693 CD2 TYR A 109 -8.038 -11.785 -1.167 1.00 1.17 C ATOM 1694 CE1 TYR A 109 -6.575 -10.244 -2.991 1.00 1.19 C ATOM 1695 CE2 TYR A 109 -6.641 -11.737 -1.082 1.00 1.18 C ATOM 1696 CZ TYR A 109 -5.910 -10.967 -1.994 1.00 0.46 C ATOM 1697 OH TYR A 109 -4.533 -10.920 -1.910 1.00 0.49 O ATOM 0 H TYR A 109 -9.803 -9.481 -0.416 1.00 0.46 H new ATOM 0 HA TYR A 109 -10.400 -9.197 -3.209 1.00 0.50 H new ATOM 0 HB2 TYR A 109 -10.619 -11.644 -1.397 1.00 0.51 H new ATOM 0 HB3 TYR A 109 -10.511 -11.666 -3.146 1.00 0.51 H new ATOM 0 HD1 TYR A 109 -8.485 -9.735 -3.847 1.00 1.21 H new ATOM 0 HD2 TYR A 109 -8.602 -12.380 -0.464 1.00 1.17 H new ATOM 0 HE1 TYR A 109 -6.011 -9.649 -3.694 1.00 1.19 H new ATOM 0 HE2 TYR A 109 -6.128 -12.294 -0.312 1.00 1.18 H new ATOM 0 HH TYR A 109 -4.271 -10.563 -1.036 1.00 0.49 H new ATOM 1707 N PHE A 110 -12.907 -9.591 -1.177 1.00 0.43 N ATOM 1708 CA PHE A 110 -14.395 -9.621 -1.112 1.00 0.46 C ATOM 1709 C PHE A 110 -14.922 -8.210 -0.850 1.00 0.52 C ATOM 1710 O PHE A 110 -15.010 -7.770 0.279 1.00 0.54 O ATOM 1711 CB PHE A 110 -14.841 -10.539 0.025 1.00 0.44 C ATOM 1712 CG PHE A 110 -14.490 -11.965 -0.312 1.00 0.43 C ATOM 1713 CD1 PHE A 110 -13.149 -12.353 -0.387 1.00 1.30 C ATOM 1714 CD2 PHE A 110 -15.505 -12.899 -0.546 1.00 1.30 C ATOM 1715 CE1 PHE A 110 -12.821 -13.676 -0.697 1.00 1.36 C ATOM 1716 CE2 PHE A 110 -15.177 -14.223 -0.857 1.00 1.40 C ATOM 1717 CZ PHE A 110 -13.835 -14.611 -0.932 1.00 0.80 C ATOM 0 H PHE A 110 -12.438 -9.453 -0.282 1.00 0.43 H new ATOM 0 HA PHE A 110 -14.788 -9.992 -2.058 1.00 0.46 H new ATOM 0 HB2 PHE A 110 -14.356 -10.244 0.956 1.00 0.44 H new ATOM 0 HB3 PHE A 110 -15.916 -10.445 0.182 1.00 0.44 H new ATOM 0 HD1 PHE A 110 -12.367 -11.631 -0.205 1.00 1.30 H new ATOM 0 HD2 PHE A 110 -16.541 -12.598 -0.487 1.00 1.30 H new ATOM 0 HE1 PHE A 110 -11.785 -13.976 -0.755 1.00 1.36 H new ATOM 0 HE2 PHE A 110 -15.959 -14.945 -1.039 1.00 1.40 H new ATOM 0 HZ PHE A 110 -13.581 -15.633 -1.172 1.00 0.80 H new ATOM 1727 N LYS A 111 -15.276 -7.499 -1.883 1.00 0.61 N ATOM 1728 CA LYS A 111 -15.802 -6.118 -1.690 1.00 0.72 C ATOM 1729 C LYS A 111 -17.291 -6.188 -1.338 1.00 0.84 C ATOM 1730 O LYS A 111 -18.142 -5.840 -2.132 1.00 1.03 O ATOM 1731 CB LYS A 111 -15.621 -5.317 -2.981 1.00 0.85 C ATOM 1732 CG LYS A 111 -14.156 -5.379 -3.420 1.00 1.28 C ATOM 1733 CD LYS A 111 -13.875 -4.259 -4.424 1.00 1.68 C ATOM 1734 CE LYS A 111 -14.973 -4.237 -5.490 1.00 2.00 C ATOM 1735 NZ LYS A 111 -14.513 -3.439 -6.661 1.00 2.60 N ATOM 0 H LYS A 111 -15.224 -7.813 -2.852 1.00 0.61 H new ATOM 0 HA LYS A 111 -15.257 -5.630 -0.882 1.00 0.72 H new ATOM 0 HB2 LYS A 111 -16.264 -5.719 -3.764 1.00 0.85 H new ATOM 0 HB3 LYS A 111 -15.921 -4.281 -2.824 1.00 0.85 H new ATOM 0 HG2 LYS A 111 -13.502 -5.278 -2.554 1.00 1.28 H new ATOM 0 HG3 LYS A 111 -13.941 -6.348 -3.871 1.00 1.28 H new ATOM 0 HD2 LYS A 111 -13.834 -3.298 -3.910 1.00 1.68 H new ATOM 0 HD3 LYS A 111 -12.903 -4.412 -4.892 1.00 1.68 H new ATOM 0 HE2 LYS A 111 -15.213 -5.254 -5.801 1.00 2.00 H new ATOM 0 HE3 LYS A 111 -15.886 -3.806 -5.078 1.00 2.00 H new ATOM 0 HZ1 LYS A 111 -15.259 -3.424 -7.385 1.00 2.60 H new ATOM 0 HZ2 LYS A 111 -14.305 -2.466 -6.358 1.00 2.60 H new ATOM 0 HZ3 LYS A 111 -13.653 -3.869 -7.058 1.00 2.60 H new ATOM 1749 N GLN A 112 -17.611 -6.636 -0.154 1.00 1.09 N ATOM 1750 CA GLN A 112 -19.045 -6.729 0.244 1.00 1.24 C ATOM 1751 C GLN A 112 -19.142 -7.135 1.718 1.00 1.18 C ATOM 1752 O GLN A 112 -19.394 -6.317 2.580 1.00 1.78 O ATOM 1753 CB GLN A 112 -19.746 -7.780 -0.620 1.00 1.69 C ATOM 1754 CG GLN A 112 -20.861 -7.115 -1.429 1.00 2.43 C ATOM 1755 CD GLN A 112 -21.842 -8.183 -1.917 1.00 3.04 C ATOM 1756 OE1 GLN A 112 -21.813 -9.307 -1.458 1.00 3.74 O ATOM 1757 NE2 GLN A 112 -22.717 -7.876 -2.836 1.00 3.37 N ATOM 0 H GLN A 112 -16.943 -6.941 0.554 1.00 1.09 H new ATOM 0 HA GLN A 112 -19.525 -5.761 0.102 1.00 1.24 H new ATOM 0 HB2 GLN A 112 -19.028 -8.253 -1.290 1.00 1.69 H new ATOM 0 HB3 GLN A 112 -20.160 -8.567 0.010 1.00 1.69 H new ATOM 0 HG2 GLN A 112 -21.382 -6.380 -0.815 1.00 2.43 H new ATOM 0 HG3 GLN A 112 -20.438 -6.578 -2.278 1.00 2.43 H new ATOM 0 HE21 GLN A 112 -22.742 -6.932 -3.222 1.00 3.37 H new ATOM 0 HE22 GLN A 112 -23.376 -8.580 -3.168 1.00 3.37 H new ATOM 1766 N GLY A 113 -18.946 -8.391 2.012 1.00 1.07 N ATOM 1767 CA GLY A 113 -19.029 -8.848 3.428 1.00 1.49 C ATOM 1768 C GLY A 113 -18.701 -10.341 3.502 1.00 1.19 C ATOM 1769 O GLY A 113 -19.256 -11.144 2.779 1.00 1.99 O ATOM 0 H GLY A 113 -18.732 -9.121 1.332 1.00 1.07 H new ATOM 0 HA2 GLY A 113 -18.333 -8.281 4.046 1.00 1.49 H new ATOM 0 HA3 GLY A 113 -20.028 -8.664 3.823 1.00 1.49 H new ATOM 1773 N LEU A 114 -17.801 -10.718 4.368 1.00 0.78 N ATOM 1774 CA LEU A 114 -17.436 -12.158 4.485 1.00 0.55 C ATOM 1775 C LEU A 114 -18.214 -12.797 5.637 1.00 0.51 C ATOM 1776 O LEU A 114 -18.081 -12.407 6.780 1.00 0.72 O ATOM 1777 CB LEU A 114 -15.935 -12.284 4.760 1.00 0.68 C ATOM 1778 CG LEU A 114 -15.144 -11.725 3.575 1.00 0.61 C ATOM 1779 CD1 LEU A 114 -13.647 -11.922 3.822 1.00 0.60 C ATOM 1780 CD2 LEU A 114 -15.546 -12.465 2.299 1.00 1.24 C ATOM 0 H LEU A 114 -17.303 -10.091 5.000 1.00 0.78 H new ATOM 0 HA LEU A 114 -17.683 -12.667 3.553 1.00 0.55 H new ATOM 0 HB2 LEU A 114 -15.676 -11.743 5.670 1.00 0.68 H new ATOM 0 HB3 LEU A 114 -15.672 -13.329 4.924 1.00 0.68 H new ATOM 0 HG LEU A 114 -15.360 -10.662 3.465 1.00 0.61 H new ATOM 0 HD11 LEU A 114 -13.084 -11.524 2.978 1.00 0.60 H new ATOM 0 HD12 LEU A 114 -13.356 -11.397 4.732 1.00 0.60 H new ATOM 0 HD13 LEU A 114 -13.433 -12.985 3.932 1.00 0.60 H new ATOM 0 HD21 LEU A 114 -14.983 -12.067 1.455 1.00 1.24 H new ATOM 0 HD22 LEU A 114 -15.330 -13.527 2.411 1.00 1.24 H new ATOM 0 HD23 LEU A 114 -16.613 -12.329 2.120 1.00 1.24 H new ATOM 1792 N ILE A 115 -19.019 -13.784 5.348 1.00 0.47 N ATOM 1793 CA ILE A 115 -19.796 -14.454 6.431 1.00 0.49 C ATOM 1794 C ILE A 115 -18.952 -15.591 7.015 1.00 0.49 C ATOM 1795 O ILE A 115 -17.953 -15.990 6.450 1.00 0.48 O ATOM 1796 CB ILE A 115 -21.104 -15.018 5.852 1.00 0.52 C ATOM 1797 CG1 ILE A 115 -22.158 -13.906 5.807 1.00 0.65 C ATOM 1798 CG2 ILE A 115 -21.620 -16.169 6.727 1.00 0.68 C ATOM 1799 CD1 ILE A 115 -23.547 -14.521 5.610 1.00 0.76 C ATOM 0 H ILE A 115 -19.172 -14.155 4.410 1.00 0.47 H new ATOM 0 HA ILE A 115 -20.037 -13.736 7.215 1.00 0.49 H new ATOM 0 HB ILE A 115 -20.914 -15.394 4.846 1.00 0.52 H new ATOM 0 HG12 ILE A 115 -22.132 -13.329 6.732 1.00 0.65 H new ATOM 0 HG13 ILE A 115 -21.937 -13.214 4.994 1.00 0.65 H new ATOM 0 HG21 ILE A 115 -22.547 -16.559 6.306 1.00 0.68 H new ATOM 0 HG22 ILE A 115 -20.874 -16.963 6.761 1.00 0.68 H new ATOM 0 HG23 ILE A 115 -21.806 -15.803 7.737 1.00 0.68 H new ATOM 0 HD11 ILE A 115 -24.295 -13.728 5.578 1.00 0.76 H new ATOM 0 HD12 ILE A 115 -23.569 -15.078 4.673 1.00 0.76 H new ATOM 0 HD13 ILE A 115 -23.767 -15.195 6.438 1.00 0.76 H new ATOM 1811 N TYR A 116 -19.353 -16.121 8.137 1.00 0.55 N ATOM 1812 CA TYR A 116 -18.580 -17.235 8.748 1.00 0.58 C ATOM 1813 C TYR A 116 -19.547 -18.242 9.374 1.00 0.66 C ATOM 1814 O TYR A 116 -20.097 -18.015 10.433 1.00 0.85 O ATOM 1815 CB TYR A 116 -17.644 -16.683 9.824 1.00 0.62 C ATOM 1816 CG TYR A 116 -17.133 -15.325 9.405 1.00 0.54 C ATOM 1817 CD1 TYR A 116 -17.921 -14.186 9.609 1.00 1.27 C ATOM 1818 CD2 TYR A 116 -15.870 -15.206 8.813 1.00 1.36 C ATOM 1819 CE1 TYR A 116 -17.444 -12.927 9.222 1.00 1.30 C ATOM 1820 CE2 TYR A 116 -15.394 -13.948 8.426 1.00 1.34 C ATOM 1821 CZ TYR A 116 -16.181 -12.809 8.630 1.00 0.56 C ATOM 1822 OH TYR A 116 -15.712 -11.568 8.249 1.00 0.65 O ATOM 0 H TYR A 116 -20.182 -15.830 8.656 1.00 0.55 H new ATOM 0 HA TYR A 116 -17.988 -17.730 7.978 1.00 0.58 H new ATOM 0 HB2 TYR A 116 -18.172 -16.606 10.775 1.00 0.62 H new ATOM 0 HB3 TYR A 116 -16.808 -17.365 9.978 1.00 0.62 H new ATOM 0 HD1 TYR A 116 -18.896 -14.278 10.064 1.00 1.27 H new ATOM 0 HD2 TYR A 116 -15.263 -16.085 8.655 1.00 1.36 H new ATOM 0 HE1 TYR A 116 -18.051 -12.048 9.380 1.00 1.30 H new ATOM 0 HE2 TYR A 116 -14.419 -13.856 7.970 1.00 1.34 H new ATOM 0 HH TYR A 116 -14.819 -11.662 7.856 1.00 0.65 H new ATOM 1832 N LYS A 117 -19.762 -19.354 8.723 1.00 0.70 N ATOM 1833 CA LYS A 117 -20.696 -20.375 9.276 1.00 0.79 C ATOM 1834 C LYS A 117 -19.981 -21.193 10.357 1.00 0.77 C ATOM 1835 O LYS A 117 -18.898 -20.854 10.788 1.00 0.77 O ATOM 1836 CB LYS A 117 -21.156 -21.306 8.151 1.00 0.83 C ATOM 1837 CG LYS A 117 -22.149 -20.568 7.249 1.00 0.96 C ATOM 1838 CD LYS A 117 -23.250 -19.939 8.105 1.00 1.38 C ATOM 1839 CE LYS A 117 -24.597 -20.088 7.396 1.00 1.32 C ATOM 1840 NZ LYS A 117 -25.695 -19.718 8.333 1.00 1.55 N ATOM 0 H LYS A 117 -19.331 -19.599 7.832 1.00 0.70 H new ATOM 0 HA LYS A 117 -21.561 -19.877 9.713 1.00 0.79 H new ATOM 0 HB2 LYS A 117 -20.298 -21.640 7.568 1.00 0.83 H new ATOM 0 HB3 LYS A 117 -21.623 -22.197 8.570 1.00 0.83 H new ATOM 0 HG2 LYS A 117 -21.633 -19.796 6.678 1.00 0.96 H new ATOM 0 HG3 LYS A 117 -22.585 -21.260 6.528 1.00 0.96 H new ATOM 0 HD2 LYS A 117 -23.286 -20.422 9.082 1.00 1.38 H new ATOM 0 HD3 LYS A 117 -23.033 -18.885 8.278 1.00 1.38 H new ATOM 0 HE2 LYS A 117 -24.628 -19.450 6.513 1.00 1.32 H new ATOM 0 HE3 LYS A 117 -24.728 -21.114 7.053 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 -26.611 -19.819 7.851 1.00 1.55 H new ATOM 0 HZ2 LYS A 117 -25.669 -20.344 9.163 1.00 1.55 H new ATOM 0 HZ3 LYS A 117 -25.572 -18.732 8.640 1.00 1.55 H new ATOM 1854 N GLN A 118 -20.579 -22.268 10.798 1.00 0.81 N ATOM 1855 CA GLN A 118 -19.932 -23.107 11.849 1.00 0.82 C ATOM 1856 C GLN A 118 -19.070 -24.190 11.189 1.00 0.76 C ATOM 1857 O GLN A 118 -19.495 -24.856 10.266 1.00 0.89 O ATOM 1858 CB GLN A 118 -21.011 -23.769 12.709 1.00 0.98 C ATOM 1859 CG GLN A 118 -20.528 -23.855 14.159 1.00 1.49 C ATOM 1860 CD GLN A 118 -21.174 -22.737 14.979 1.00 1.91 C ATOM 1861 OE1 GLN A 118 -21.337 -21.632 14.500 1.00 2.67 O ATOM 1862 NE2 GLN A 118 -21.550 -22.978 16.205 1.00 2.29 N ATOM 0 H GLN A 118 -21.488 -22.601 10.476 1.00 0.81 H new ATOM 0 HA GLN A 118 -19.301 -22.476 12.476 1.00 0.82 H new ATOM 0 HB2 GLN A 118 -21.936 -23.195 12.656 1.00 0.98 H new ATOM 0 HB3 GLN A 118 -21.233 -24.766 12.329 1.00 0.98 H new ATOM 0 HG2 GLN A 118 -20.785 -24.826 14.582 1.00 1.49 H new ATOM 0 HG3 GLN A 118 -19.442 -23.768 14.198 1.00 1.49 H new ATOM 0 HE21 GLN A 118 -21.413 -23.905 16.607 1.00 2.29 H new ATOM 0 HE22 GLN A 118 -21.981 -22.239 16.761 1.00 2.29 H new ATOM 1871 N GLY A 119 -17.864 -24.373 11.658 1.00 0.75 N ATOM 1872 CA GLY A 119 -16.977 -25.413 11.057 1.00 0.73 C ATOM 1873 C GLY A 119 -17.567 -26.803 11.307 1.00 0.75 C ATOM 1874 O GLY A 119 -18.744 -26.949 11.570 1.00 1.09 O ATOM 0 H GLY A 119 -17.455 -23.848 12.431 1.00 0.75 H new ATOM 0 HA2 GLY A 119 -16.871 -25.240 9.986 1.00 0.73 H new ATOM 0 HA3 GLY A 119 -15.979 -25.348 11.490 1.00 0.73 H new ATOM 1878 N GLY A 120 -16.759 -27.828 11.227 1.00 0.73 N ATOM 1879 CA GLY A 120 -17.279 -29.206 11.459 1.00 1.17 C ATOM 1880 C GLY A 120 -18.558 -29.413 10.646 1.00 1.08 C ATOM 1881 O GLY A 120 -19.632 -29.576 11.190 1.00 1.41 O ATOM 0 H GLY A 120 -15.764 -27.770 11.011 1.00 0.73 H new ATOM 0 HA2 GLY A 120 -16.529 -29.942 11.170 1.00 1.17 H new ATOM 0 HA3 GLY A 120 -17.481 -29.356 12.520 1.00 1.17 H new ATOM 1885 N VAL A 121 -18.453 -29.404 9.345 1.00 0.88 N ATOM 1886 CA VAL A 121 -19.665 -29.597 8.498 1.00 0.92 C ATOM 1887 C VAL A 121 -19.869 -31.081 8.204 1.00 1.10 C ATOM 1888 O VAL A 121 -20.811 -31.478 7.547 1.00 1.38 O ATOM 1889 CB VAL A 121 -19.490 -28.816 7.193 1.00 1.06 C ATOM 1890 CG1 VAL A 121 -18.660 -29.630 6.193 1.00 1.56 C ATOM 1891 CG2 VAL A 121 -20.862 -28.514 6.589 1.00 1.83 C ATOM 0 H VAL A 121 -17.581 -29.271 8.832 1.00 0.88 H new ATOM 0 HA VAL A 121 -20.544 -29.229 9.027 1.00 0.92 H new ATOM 0 HB VAL A 121 -18.970 -27.883 7.408 1.00 1.06 H new ATOM 0 HG11 VAL A 121 -18.544 -29.062 5.270 1.00 1.56 H new ATOM 0 HG12 VAL A 121 -17.678 -29.836 6.618 1.00 1.56 H new ATOM 0 HG13 VAL A 121 -19.168 -30.571 5.979 1.00 1.56 H new ATOM 0 HG21 VAL A 121 -20.736 -27.958 5.660 1.00 1.83 H new ATOM 0 HG22 VAL A 121 -21.383 -29.449 6.384 1.00 1.83 H new ATOM 0 HG23 VAL A 121 -21.446 -27.919 7.292 1.00 1.83 H new ATOM 1901 N ALA A 122 -18.989 -31.892 8.688 1.00 1.92 N ATOM 1902 CA ALA A 122 -19.105 -33.360 8.452 1.00 2.32 C ATOM 1903 C ALA A 122 -19.913 -34.002 9.580 1.00 2.29 C ATOM 1904 O ALA A 122 -20.058 -35.206 9.644 1.00 2.61 O ATOM 1905 CB ALA A 122 -17.709 -33.982 8.414 1.00 3.55 C ATOM 0 H ALA A 122 -18.183 -31.607 9.244 1.00 1.92 H new ATOM 0 HA ALA A 122 -19.610 -33.532 7.501 1.00 2.32 H new ATOM 0 HB1 ALA A 122 -17.793 -35.055 8.242 1.00 3.55 H new ATOM 0 HB2 ALA A 122 -17.131 -33.529 7.608 1.00 3.55 H new ATOM 0 HB3 ALA A 122 -17.206 -33.806 9.365 1.00 3.55 H new ATOM 1911 N SER A 123 -20.440 -33.211 10.473 1.00 2.77 N ATOM 1912 CA SER A 123 -21.235 -33.783 11.594 1.00 3.61 C ATOM 1913 C SER A 123 -22.521 -34.395 11.041 1.00 3.77 C ATOM 1914 O SER A 123 -22.665 -35.600 10.968 1.00 4.64 O ATOM 1915 CB SER A 123 -21.583 -32.676 12.590 1.00 4.20 C ATOM 1916 OG SER A 123 -21.638 -31.431 11.906 1.00 4.72 O ATOM 0 H SER A 123 -20.354 -32.195 10.475 1.00 2.77 H new ATOM 0 HA SER A 123 -20.652 -34.553 12.099 1.00 3.61 H new ATOM 0 HB2 SER A 123 -22.541 -32.886 13.065 1.00 4.20 H new ATOM 0 HB3 SER A 123 -20.836 -32.636 13.383 1.00 4.20 H new ATOM 0 HG SER A 123 -20.761 -30.996 11.947 1.00 4.72 H new ATOM 1922 N GLY A 124 -23.456 -33.573 10.650 1.00 3.40 N ATOM 1923 CA GLY A 124 -24.738 -34.101 10.100 1.00 4.14 C ATOM 1924 C GLY A 124 -25.206 -35.293 10.937 1.00 4.50 C ATOM 1925 O GLY A 124 -25.896 -36.169 10.455 1.00 5.20 O ATOM 0 H GLY A 124 -23.388 -32.556 10.688 1.00 3.40 H new ATOM 0 HA2 GLY A 124 -25.497 -33.319 10.107 1.00 4.14 H new ATOM 0 HA3 GLY A 124 -24.602 -34.404 9.062 1.00 4.14 H new ATOM 1929 N MET A 125 -24.834 -35.335 12.188 1.00 4.48 N ATOM 1930 CA MET A 125 -25.256 -36.472 13.054 1.00 5.35 C ATOM 1931 C MET A 125 -25.231 -36.030 14.519 1.00 5.71 C ATOM 1932 O MET A 125 -26.257 -35.899 15.156 1.00 5.62 O ATOM 1933 CB MET A 125 -24.291 -37.646 12.863 1.00 5.90 C ATOM 1934 CG MET A 125 -24.415 -38.188 11.438 1.00 6.07 C ATOM 1935 SD MET A 125 -26.092 -38.812 11.171 1.00 7.05 S ATOM 1936 CE MET A 125 -25.669 -40.086 9.958 1.00 7.72 C ATOM 0 H MET A 125 -24.256 -34.631 12.647 1.00 4.48 H new ATOM 0 HA MET A 125 -26.265 -36.782 12.781 1.00 5.35 H new ATOM 0 HB2 MET A 125 -23.267 -37.322 13.052 1.00 5.90 H new ATOM 0 HB3 MET A 125 -24.514 -38.434 13.583 1.00 5.90 H new ATOM 0 HG2 MET A 125 -24.190 -37.401 10.718 1.00 6.07 H new ATOM 0 HG3 MET A 125 -23.689 -38.985 11.277 1.00 6.07 H new ATOM 0 HE1 MET A 125 -26.574 -40.608 9.648 1.00 7.72 H new ATOM 0 HE2 MET A 125 -25.203 -39.621 9.089 1.00 7.72 H new ATOM 0 HE3 MET A 125 -24.975 -40.798 10.405 1.00 7.72 H new ATOM 1946 N LYS A 126 -24.065 -35.801 15.057 1.00 6.52 N ATOM 1947 CA LYS A 126 -23.972 -35.368 16.480 1.00 7.28 C ATOM 1948 C LYS A 126 -24.927 -34.197 16.720 1.00 7.46 C ATOM 1949 O LYS A 126 -26.090 -34.451 16.985 1.00 7.71 O ATOM 1950 CB LYS A 126 -22.538 -34.928 16.787 1.00 7.76 C ATOM 1951 CG LYS A 126 -21.558 -35.999 16.304 1.00 8.18 C ATOM 1952 CD LYS A 126 -22.027 -37.375 16.783 1.00 8.84 C ATOM 1953 CE LYS A 126 -21.002 -38.434 16.373 1.00 9.62 C ATOM 1954 NZ LYS A 126 -21.643 -39.416 15.453 1.00 10.07 N ATOM 1955 OXT LYS A 126 -24.478 -33.065 16.634 1.00 7.61 O ATOM 0 H LYS A 126 -23.172 -35.895 14.573 1.00 6.52 H new ATOM 0 HA LYS A 126 -24.244 -36.199 17.131 1.00 7.28 H new ATOM 0 HB2 LYS A 126 -22.325 -33.978 16.296 1.00 7.76 H new ATOM 0 HB3 LYS A 126 -22.418 -34.767 17.858 1.00 7.76 H new ATOM 0 HG2 LYS A 126 -21.494 -35.984 15.216 1.00 8.18 H new ATOM 0 HG3 LYS A 126 -20.558 -35.791 16.686 1.00 8.18 H new ATOM 0 HD2 LYS A 126 -22.150 -37.373 17.866 1.00 8.84 H new ATOM 0 HD3 LYS A 126 -23.000 -37.610 16.352 1.00 8.84 H new ATOM 0 HE2 LYS A 126 -20.151 -37.961 15.882 1.00 9.62 H new ATOM 0 HE3 LYS A 126 -20.617 -38.944 17.256 1.00 9.62 H new ATOM 0 HZ1 LYS A 126 -20.946 -40.136 15.174 1.00 10.07 H new ATOM 0 HZ2 LYS A 126 -22.441 -39.875 15.937 1.00 10.07 H new ATOM 0 HZ3 LYS A 126 -21.989 -38.923 14.605 1.00 10.07 H new TER 1969 LYS A 126 END