USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 931 hydrogens (10 hets) HEADER IMMUNE SYSTEM 31-OCT-01 1KA6 TITLE SAP/SH2D1A BOUND TO PEPTIDE N-PY COMPND MOL_ID: 1; COMPND 2 MOLECULE: SH2 DOMAIN PROTEIN 1A; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SLAM-ASSOCIATED PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: PEPTIDE N-PY; COMPND 8 CHAIN: B; COMPND 9 FRAGMENT: CYTOPLASMIC REGION (RESIDUES 275-282); COMPND 0 SYNONYM: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE; COMPND 1 ENGINEERED: YES; COMPND 2 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3A; SOURCE 0 MOL_ID: 2; SOURCE 1 SYNTHETIC: YES; SOURCE 2 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED SOURCE 3 (SOLID PHASE SYNTHESIS). THE SEQUENCE OF THE PEPTIDE IS SOURCE 4 NATURALLY FOUND IN HOMO SAPIENS (HUMAN). KEYWDS SH2 DOMAIN, PROTEIN-PEPTIDE COMPLEX, IMMUNE SYSTEM EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR P.M.HWANG,C.LI,M.MORRA,J.LILLYWHITE,F.GERTLER,C.TERHORST, AUTHOR 2 L.E.KAY,T.PAWSON,J.FORMAN-KAY,S.-C.LI REVDAT 4 24-FEB-09 1KA6 1 VERSN REVDAT 3 30-SEP-03 1KA6 1 JRNL DBREF REVDAT 2 28-AUG-02 1KA6 1 JRNL REVDAT 1 07-NOV-01 1KA6 0 JRNL AUTH P.M.HWANG,C.LI,M.MORRA,J.LILLYWHITE,D.R.MUHANDIRAM, JRNL AUTH 2 F.GERTLER,C.TERHORST,L.E.KAY,T.PAWSON, JRNL AUTH 3 J.D.FORMAN-KAY,S.C.LI JRNL TITL A "THREE-PRONGED" BINDING MECHANISM FOR THE JRNL TITL 2 SAP/SH2D1A SH2 DOMAIN: STRUCTURAL BASIS AND JRNL TITL 3 RELEVANCE TO THE XLP SYNDROME. JRNL REF EMBO J. V. 21 314 2002 JRNL REFN ISSN 0261-4189 JRNL PMID 11823424 JRNL DOI 10.1093/EMBOJ/21.3.314 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA 1.0 REMARK 3 AUTHORS : NILGES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KA6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-NOV-01. REMARK 100 THE RCSB ID CODE IS RCSB014752. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 120 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM SAP U-15N, 13C; 1MM N- REMARK 210 PY; 20 MM PHOSPHATE BUFFER, REMARK 210 100MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N,13C-SEPARATED NOESY, REMARK 210 3D_HNHB, 3D_HN(CO)HB REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ARIA 1.0, NMRPIPE 1.8, REMARK 210 NMRVIEW 3.0 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A 108 REMARK 465 ARG A 109 REMARK 465 SER A 110 REMARK 465 THR A 111 REMARK 465 GLN A 112 REMARK 465 GLY A 113 REMARK 465 THR A 114 REMARK 465 THR A 115 REMARK 465 GLY A 116 REMARK 465 ILE A 117 REMARK 465 ARG A 118 REMARK 465 GLU A 119 REMARK 465 ASP A 120 REMARK 465 PRO A 121 REMARK 465 ASP A 122 REMARK 465 VAL A 123 REMARK 465 CYS A 124 REMARK 465 LEU A 125 REMARK 465 LYS A 126 REMARK 465 ALA A 127 REMARK 465 PRO A 128 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 VAL A 6 49.60 -83.88 REMARK 500 TYR A 47 115.28 -164.34 REMARK 500 THR A 68 -157.65 -109.32 REMARK 500 ASP A 91 73.71 57.74 REMARK 500 GLN A 92 11.11 -144.33 REMARK 500 GLN A 99 -22.16 -152.61 REMARK 500 SER A 106 10.48 -151.55 REMARK 500 LYS B 276 -74.57 -165.02 REMARK 500 SER B 277 101.73 -167.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 283 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KA7 RELATED DB: PDB REMARK 900 SAP/SH2D1A BOUND TO PEPTIDE N-Y-C DBREF 1KA6 A 1 128 UNP O60880 SH21A_HUMAN 1 128 DBREF 1KA6 B 275 282 UNP Q13291 SLAF1_HUMAN 275 282 SEQADV 1KA6 ARG B 275 UNP Q13291 LYS 275 ENGINEERED SEQADV 1KA6 PTR B 281 UNP Q13291 TYR 281 MODIFIED RESIDUE SEQRES 1 A 128 MET ASP ALA VAL ALA VAL TYR HIS GLY LYS ILE SER ARG SEQRES 2 A 128 GLU THR GLY GLU LYS LEU LEU LEU ALA THR GLY LEU ASP SEQRES 3 A 128 GLY SER TYR LEU LEU ARG ASP SER GLU SER VAL PRO GLY SEQRES 4 A 128 VAL TYR CYS LEU CYS VAL LEU TYR HIS GLY TYR ILE TYR SEQRES 5 A 128 THR TYR ARG VAL SER GLN THR GLU THR GLY SER TRP SER SEQRES 6 A 128 ALA GLU THR ALA PRO GLY VAL HIS LYS ARG TYR PHE ARG SEQRES 7 A 128 LYS ILE LYS ASN LEU ILE SER ALA PHE GLN LYS PRO ASP SEQRES 8 A 128 GLN GLY ILE VAL ILE PRO LEU GLN TYR PRO VAL GLU LYS SEQRES 9 A 128 LYS SER SER ALA ARG SER THR GLN GLY THR THR GLY ILE SEQRES 10 A 128 ARG GLU ASP PRO ASP VAL CYS LEU LYS ALA PRO SEQRES 1 B 9 ARG LYS SER LEU THR ILE PTR ALA NH2 MODRES 1KA6 PTR B 281 TYR O-PHOSPHOTYROSINE HET PTR B 281 24 HET NH2 B 283 3 HETNAM PTR O-PHOSPHOTYROSINE HETNAM NH2 AMINO GROUP HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR C9 H12 N O6 P FORMUL 2 NH2 H2 N HELIX 1 1 SER A 12 GLY A 24 1 13 HELIX 2 2 LYS A 79 PHE A 87 1 9 SHEET 1 A 5 TYR A 29 ASP A 33 0 SHEET 2 A 5 TYR A 41 LEU A 46 -1 O CYS A 42 N ARG A 32 SHEET 3 A 5 ILE A 51 GLN A 58 -1 O VAL A 56 N TYR A 41 SHEET 4 A 5 TRP A 64 GLU A 67 -1 O GLU A 67 N ARG A 55 SHEET 5 A 5 TYR A 76 PHE A 77 -1 O PHE A 77 N TRP A 64 LINK C ALA B 282 N NH2 B 283 1555 1555 1.33 LINK C ILE B 280 N PTR B 281 1555 1555 1.33 LINK C PTR B 281 N ALA B 282 1555 1555 1.33 SITE *** AC1 2 THR A 68 ALA B 282 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 NoAdj-H: B 281 PTR HN2 : B 281 PTR N : B 280 ILE C :(H bumps) USER MOD NoAdj-H: B 281 PTR H : B 281 PTR N : B 280 ILE C :(H bumps) USER MOD Set 1.1: A 59 THR OG1 : rot 120:sc= 1.06 USER MOD Set 1.2: A 61 THR OG1 : rot 89:sc= 2.11 USER MOD Set 1.3: A 63 SER OG : rot -176:sc= 1.08 USER MOD Set 2.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=0.011) USER MOD Set 3.1: A 44 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 SER OG : rot 56:sc= 0.181 USER MOD Set 4.2: A 15 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.159 (180deg=-0.473) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.033) USER MOD Single : A 7 TYR OH : rot 11:sc= 0.478 USER MOD Single : A 8 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-4.7!) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0532 (180deg=-0.32) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 86:sc= -0.431 USER MOD Single : A 28 SER OG : rot 76:sc= 0.56 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 34 SER OG : rot 115:sc= 0.869 USER MOD Single : A 36 SER OG : rot 87:sc= 0.334 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.752 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -140:sc= -0.0392 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00446 X(o=-0.0045,f=-0.38) USER MOD Single : A 65 SER OG : rot -127:sc= 0.0165 USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00342 K(o=-0.0034,f=-1.5) USER MOD Single : A 85 SER OG : rot -53:sc= 1.25 USER MOD Single : A 88 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.35) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 145:sc= 0.0198 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -149:sc= -0.107 (180deg=-0.572) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : B 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 277 SER OG : rot 180:sc= 0 USER MOD Single : B 279 THR OG1 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.656 -11.460 -4.661 1.00 1.77 N ATOM 2 CA MET A 1 -12.556 -10.403 -3.620 1.00 1.40 C ATOM 3 C MET A 1 -11.227 -9.663 -3.717 1.00 1.22 C ATOM 4 O MET A 1 -11.195 -8.451 -3.930 1.00 1.93 O ATOM 5 CB MET A 1 -12.698 -11.058 -2.245 1.00 1.95 C ATOM 6 CG MET A 1 -14.114 -11.511 -1.929 1.00 2.36 C ATOM 7 SD MET A 1 -14.177 -13.184 -1.261 1.00 2.85 S ATOM 8 CE MET A 1 -13.600 -14.132 -2.667 1.00 3.80 C ATOM 0 H1 MET A 1 -13.618 -11.856 -4.662 1.00 1.77 H new ATOM 0 H2 MET A 1 -12.450 -11.049 -5.594 1.00 1.77 H new ATOM 0 H3 MET A 1 -11.971 -12.215 -4.456 1.00 1.77 H new ATOM 0 HA MET A 1 -13.351 -9.673 -3.771 1.00 1.40 H new ATOM 0 HB2 MET A 1 -12.030 -11.918 -2.191 1.00 1.95 H new ATOM 0 HB3 MET A 1 -12.372 -10.353 -1.481 1.00 1.95 H new ATOM 0 HG2 MET A 1 -14.560 -10.821 -1.213 1.00 2.36 H new ATOM 0 HG3 MET A 1 -14.717 -11.463 -2.836 1.00 2.36 H new ATOM 0 HE1 MET A 1 -13.877 -15.178 -2.539 1.00 3.80 H new ATOM 0 HE2 MET A 1 -14.056 -13.745 -3.578 1.00 3.80 H new ATOM 0 HE3 MET A 1 -12.516 -14.050 -2.740 1.00 3.80 H new ATOM 20 N ASP A 2 -10.133 -10.401 -3.562 1.00 1.02 N ATOM 21 CA ASP A 2 -8.800 -9.815 -3.633 1.00 0.81 C ATOM 22 C ASP A 2 -8.269 -9.851 -5.064 1.00 0.59 C ATOM 23 O ASP A 2 -7.406 -10.663 -5.398 1.00 0.75 O ATOM 24 CB ASP A 2 -7.844 -10.562 -2.701 1.00 1.07 C ATOM 25 CG ASP A 2 -6.600 -9.755 -2.386 1.00 1.83 C ATOM 26 OD1 ASP A 2 -5.831 -9.459 -3.323 1.00 2.32 O ATOM 27 OD2 ASP A 2 -6.395 -9.420 -1.201 1.00 2.69 O ATOM 0 H ASP A 2 -10.143 -11.406 -3.386 1.00 1.02 H new ATOM 0 HA ASP A 2 -8.866 -8.775 -3.315 1.00 0.81 H new ATOM 0 HB2 ASP A 2 -8.361 -10.805 -1.773 1.00 1.07 H new ATOM 0 HB3 ASP A 2 -7.555 -11.506 -3.162 1.00 1.07 H new ATOM 32 N ALA A 3 -8.793 -8.965 -5.907 1.00 0.51 N ATOM 33 CA ALA A 3 -8.373 -8.898 -7.302 1.00 0.58 C ATOM 34 C ALA A 3 -7.283 -7.847 -7.497 1.00 0.48 C ATOM 35 O ALA A 3 -7.515 -6.801 -8.105 1.00 0.59 O ATOM 36 CB ALA A 3 -9.566 -8.603 -8.200 1.00 0.94 C ATOM 0 H ALA A 3 -9.508 -8.285 -5.648 1.00 0.51 H new ATOM 0 HA ALA A 3 -7.958 -9.867 -7.579 1.00 0.58 H new ATOM 0 HB1 ALA A 3 -9.237 -8.556 -9.238 1.00 0.94 H new ATOM 0 HB2 ALA A 3 -10.308 -9.393 -8.090 1.00 0.94 H new ATOM 0 HB3 ALA A 3 -10.008 -7.648 -7.916 1.00 0.94 H new ATOM 42 N VAL A 4 -6.094 -8.134 -6.976 1.00 0.33 N ATOM 43 CA VAL A 4 -4.967 -7.218 -7.091 1.00 0.23 C ATOM 44 C VAL A 4 -3.771 -7.905 -7.744 1.00 0.20 C ATOM 45 O VAL A 4 -3.422 -9.032 -7.392 1.00 0.27 O ATOM 46 CB VAL A 4 -4.545 -6.668 -5.714 1.00 0.16 C ATOM 47 CG1 VAL A 4 -3.424 -5.651 -5.862 1.00 0.14 C ATOM 48 CG2 VAL A 4 -5.739 -6.055 -4.997 1.00 0.21 C ATOM 0 H VAL A 4 -5.887 -8.995 -6.470 1.00 0.33 H new ATOM 0 HA VAL A 4 -5.293 -6.387 -7.717 1.00 0.23 H new ATOM 0 HB VAL A 4 -4.173 -7.497 -5.112 1.00 0.16 H new ATOM 0 HG11 VAL A 4 -3.141 -5.275 -4.879 1.00 0.14 H new ATOM 0 HG12 VAL A 4 -2.562 -6.125 -6.331 1.00 0.14 H new ATOM 0 HG13 VAL A 4 -3.764 -4.822 -6.483 1.00 0.14 H new ATOM 0 HG21 VAL A 4 -5.423 -5.672 -4.027 1.00 0.21 H new ATOM 0 HG22 VAL A 4 -6.143 -5.239 -5.596 1.00 0.21 H new ATOM 0 HG23 VAL A 4 -6.507 -6.815 -4.854 1.00 0.21 H new ATOM 58 N ALA A 5 -3.148 -7.220 -8.697 1.00 0.22 N ATOM 59 CA ALA A 5 -1.993 -7.764 -9.402 1.00 0.23 C ATOM 60 C ALA A 5 -0.734 -7.679 -8.546 1.00 0.20 C ATOM 61 O ALA A 5 0.073 -8.610 -8.521 1.00 0.23 O ATOM 62 CB ALA A 5 -1.787 -7.030 -10.718 1.00 0.30 C ATOM 0 H ALA A 5 -3.424 -6.286 -8.999 1.00 0.22 H new ATOM 0 HA ALA A 5 -2.188 -8.816 -9.609 1.00 0.23 H new ATOM 0 HB1 ALA A 5 -0.922 -7.445 -11.235 1.00 0.30 H new ATOM 0 HB2 ALA A 5 -2.673 -7.147 -11.342 1.00 0.30 H new ATOM 0 HB3 ALA A 5 -1.618 -5.971 -10.522 1.00 0.30 H new ATOM 68 N VAL A 6 -0.569 -6.558 -7.850 1.00 0.16 N ATOM 69 CA VAL A 6 0.597 -6.355 -6.995 1.00 0.15 C ATOM 70 C VAL A 6 0.395 -6.987 -5.621 1.00 0.15 C ATOM 71 O VAL A 6 0.621 -6.348 -4.592 1.00 0.32 O ATOM 72 CB VAL A 6 0.913 -4.856 -6.821 1.00 0.15 C ATOM 73 CG1 VAL A 6 1.548 -4.295 -8.081 1.00 0.19 C ATOM 74 CG2 VAL A 6 -0.345 -4.081 -6.455 1.00 0.16 C ATOM 0 H VAL A 6 -1.226 -5.778 -7.861 1.00 0.16 H new ATOM 0 HA VAL A 6 1.438 -6.840 -7.490 1.00 0.15 H new ATOM 0 HB VAL A 6 1.626 -4.747 -6.004 1.00 0.15 H new ATOM 0 HG11 VAL A 6 1.764 -3.236 -7.939 1.00 0.19 H new ATOM 0 HG12 VAL A 6 2.475 -4.829 -8.290 1.00 0.19 H new ATOM 0 HG13 VAL A 6 0.862 -4.416 -8.919 1.00 0.19 H new ATOM 0 HG21 VAL A 6 -0.101 -3.025 -6.337 1.00 0.16 H new ATOM 0 HG22 VAL A 6 -1.086 -4.195 -7.246 1.00 0.16 H new ATOM 0 HG23 VAL A 6 -0.751 -4.466 -5.520 1.00 0.16 H new ATOM 84 N TYR A 7 -0.027 -8.248 -5.611 1.00 0.14 N ATOM 85 CA TYR A 7 -0.254 -8.966 -4.363 1.00 0.14 C ATOM 86 C TYR A 7 0.824 -10.023 -4.143 1.00 0.14 C ATOM 87 O TYR A 7 0.694 -11.161 -4.597 1.00 0.20 O ATOM 88 CB TYR A 7 -1.639 -9.620 -4.368 1.00 0.16 C ATOM 89 CG TYR A 7 -1.979 -10.334 -3.079 1.00 0.17 C ATOM 90 CD1 TYR A 7 -1.947 -9.665 -1.860 1.00 1.15 C ATOM 91 CD2 TYR A 7 -2.328 -11.679 -3.079 1.00 1.13 C ATOM 92 CE1 TYR A 7 -2.256 -10.316 -0.681 1.00 1.17 C ATOM 93 CE2 TYR A 7 -2.638 -12.336 -1.903 1.00 1.13 C ATOM 94 CZ TYR A 7 -2.600 -11.649 -0.708 1.00 0.23 C ATOM 95 OH TYR A 7 -2.907 -12.301 0.465 1.00 0.27 O ATOM 0 H TYR A 7 -0.218 -8.792 -6.452 1.00 0.14 H new ATOM 0 HA TYR A 7 -0.206 -8.248 -3.544 1.00 0.14 H new ATOM 0 HB2 TYR A 7 -2.392 -8.855 -4.559 1.00 0.16 H new ATOM 0 HB3 TYR A 7 -1.692 -10.332 -5.192 1.00 0.16 H new ATOM 0 HD1 TYR A 7 -1.676 -8.620 -1.835 1.00 1.15 H new ATOM 0 HD2 TYR A 7 -2.358 -12.220 -4.013 1.00 1.13 H new ATOM 0 HE1 TYR A 7 -2.228 -9.782 0.257 1.00 1.17 H new ATOM 0 HE2 TYR A 7 -2.908 -13.381 -1.920 1.00 1.13 H new ATOM 0 HH TYR A 7 -3.003 -11.646 1.188 1.00 0.27 H new ATOM 105 N HIS A 8 1.888 -9.636 -3.448 1.00 0.13 N ATOM 106 CA HIS A 8 2.994 -10.545 -3.166 1.00 0.15 C ATOM 107 C HIS A 8 2.549 -11.682 -2.251 1.00 0.19 C ATOM 108 O HIS A 8 3.174 -12.743 -2.214 1.00 0.35 O ATOM 109 CB HIS A 8 4.156 -9.784 -2.526 1.00 0.15 C ATOM 110 CG HIS A 8 4.934 -8.951 -3.498 1.00 0.16 C ATOM 111 ND1 HIS A 8 5.686 -9.492 -4.520 1.00 0.20 N ATOM 112 CD2 HIS A 8 5.074 -7.608 -3.601 1.00 0.27 C ATOM 113 CE1 HIS A 8 6.256 -8.517 -5.207 1.00 0.21 C ATOM 114 NE2 HIS A 8 5.900 -7.366 -4.671 1.00 0.25 N ATOM 0 H HIS A 8 2.008 -8.697 -3.069 1.00 0.13 H new ATOM 0 HA HIS A 8 3.326 -10.975 -4.111 1.00 0.15 H new ATOM 0 HB2 HIS A 8 3.767 -9.140 -1.738 1.00 0.15 H new ATOM 0 HB3 HIS A 8 4.829 -10.498 -2.051 1.00 0.15 H new ATOM 0 HD2 HIS A 8 4.621 -6.866 -2.961 1.00 0.27 H new ATOM 0 HE1 HIS A 8 6.904 -8.642 -6.062 1.00 0.21 H new ATOM 0 HE2 HIS A 8 6.191 -6.445 -4.998 1.00 0.25 H new ATOM 123 N GLY A 9 1.465 -11.455 -1.514 1.00 0.20 N ATOM 124 CA GLY A 9 0.955 -12.471 -0.611 1.00 0.22 C ATOM 125 C GLY A 9 1.472 -12.305 0.805 1.00 0.23 C ATOM 126 O GLY A 9 1.519 -11.192 1.331 1.00 0.34 O ATOM 0 H GLY A 9 0.931 -10.586 -1.526 1.00 0.20 H new ATOM 0 HA2 GLY A 9 -0.134 -12.431 -0.603 1.00 0.22 H new ATOM 0 HA3 GLY A 9 1.235 -13.456 -0.983 1.00 0.22 H new ATOM 130 N LYS A 10 1.858 -13.417 1.426 1.00 0.20 N ATOM 131 CA LYS A 10 2.370 -13.394 2.793 1.00 0.21 C ATOM 132 C LYS A 10 3.860 -13.068 2.812 1.00 0.19 C ATOM 133 O LYS A 10 4.701 -13.953 2.653 1.00 0.23 O ATOM 134 CB LYS A 10 2.125 -14.742 3.475 1.00 0.25 C ATOM 135 CG LYS A 10 2.267 -14.694 4.988 1.00 0.24 C ATOM 136 CD LYS A 10 2.862 -15.983 5.534 1.00 0.32 C ATOM 137 CE LYS A 10 3.271 -15.837 6.992 1.00 1.13 C ATOM 138 NZ LYS A 10 4.405 -14.886 7.160 1.00 1.93 N ATOM 0 H LYS A 10 1.826 -14.345 1.004 1.00 0.20 H new ATOM 0 HA LYS A 10 1.838 -12.615 3.339 1.00 0.21 H new ATOM 0 HB2 LYS A 10 1.123 -15.090 3.223 1.00 0.25 H new ATOM 0 HB3 LYS A 10 2.827 -15.474 3.076 1.00 0.25 H new ATOM 0 HG2 LYS A 10 2.900 -13.852 5.268 1.00 0.24 H new ATOM 0 HG3 LYS A 10 1.290 -14.523 5.441 1.00 0.24 H new ATOM 0 HD2 LYS A 10 2.135 -16.789 5.438 1.00 0.32 H new ATOM 0 HD3 LYS A 10 3.730 -16.265 4.938 1.00 0.32 H new ATOM 0 HE2 LYS A 10 2.418 -15.491 7.575 1.00 1.13 H new ATOM 0 HE3 LYS A 10 3.554 -16.812 7.389 1.00 1.13 H new ATOM 0 HZ1 LYS A 10 4.860 -15.048 8.081 1.00 1.93 H new ATOM 0 HZ2 LYS A 10 5.099 -15.035 6.400 1.00 1.93 H new ATOM 0 HZ3 LYS A 10 4.049 -13.910 7.117 1.00 1.93 H new ATOM 152 N ILE A 11 4.182 -11.794 3.010 1.00 0.16 N ATOM 153 CA ILE A 11 5.570 -11.355 3.053 1.00 0.15 C ATOM 154 C ILE A 11 5.810 -10.394 4.213 1.00 0.14 C ATOM 155 O ILE A 11 5.008 -9.493 4.462 1.00 0.17 O ATOM 156 CB ILE A 11 5.987 -10.672 1.735 1.00 0.15 C ATOM 157 CG1 ILE A 11 5.024 -9.534 1.392 1.00 0.15 C ATOM 158 CG2 ILE A 11 6.035 -11.689 0.604 1.00 0.20 C ATOM 159 CD1 ILE A 11 5.620 -8.496 0.466 1.00 0.16 C ATOM 0 H ILE A 11 3.499 -11.048 3.143 1.00 0.16 H new ATOM 0 HA ILE A 11 6.178 -12.248 3.196 1.00 0.15 H new ATOM 0 HB ILE A 11 6.984 -10.250 1.864 1.00 0.15 H new ATOM 0 HG12 ILE A 11 4.130 -9.952 0.929 1.00 0.15 H new ATOM 0 HG13 ILE A 11 4.707 -9.047 2.314 1.00 0.15 H new ATOM 0 HG21 ILE A 11 6.331 -11.192 -0.320 1.00 0.20 H new ATOM 0 HG22 ILE A 11 6.759 -12.467 0.845 1.00 0.20 H new ATOM 0 HG23 ILE A 11 5.050 -12.137 0.476 1.00 0.20 H new ATOM 0 HD11 ILE A 11 4.881 -7.720 0.266 1.00 0.16 H new ATOM 0 HD12 ILE A 11 6.497 -8.050 0.936 1.00 0.16 H new ATOM 0 HD13 ILE A 11 5.912 -8.969 -0.472 1.00 0.16 H new ATOM 171 N SER A 12 6.920 -10.592 4.919 1.00 0.13 N ATOM 172 CA SER A 12 7.269 -9.744 6.052 1.00 0.13 C ATOM 173 C SER A 12 7.483 -8.307 5.608 1.00 0.11 C ATOM 174 O SER A 12 7.819 -8.043 4.453 1.00 0.10 O ATOM 175 CB SER A 12 8.530 -10.270 6.740 1.00 0.15 C ATOM 176 OG SER A 12 9.213 -11.198 5.914 1.00 0.36 O ATOM 0 H SER A 12 7.593 -11.333 4.725 1.00 0.13 H new ATOM 0 HA SER A 12 6.440 -9.767 6.760 1.00 0.13 H new ATOM 0 HB2 SER A 12 9.191 -9.437 6.980 1.00 0.15 H new ATOM 0 HB3 SER A 12 8.262 -10.747 7.683 1.00 0.15 H new ATOM 0 HG SER A 12 9.419 -10.779 5.052 1.00 0.36 H new ATOM 182 N ARG A 13 7.283 -7.385 6.538 1.00 0.11 N ATOM 183 CA ARG A 13 7.449 -5.967 6.266 1.00 0.10 C ATOM 184 C ARG A 13 8.823 -5.690 5.670 1.00 0.08 C ATOM 185 O ARG A 13 9.011 -4.718 4.940 1.00 0.09 O ATOM 186 CB ARG A 13 7.261 -5.175 7.556 1.00 0.12 C ATOM 187 CG ARG A 13 6.851 -3.728 7.334 1.00 0.13 C ATOM 188 CD ARG A 13 6.970 -2.916 8.614 1.00 0.23 C ATOM 189 NE ARG A 13 6.346 -3.592 9.749 1.00 0.94 N ATOM 190 CZ ARG A 13 6.216 -3.047 10.954 1.00 1.00 C ATOM 191 NH1 ARG A 13 6.669 -1.821 11.186 1.00 1.16 N ATOM 192 NH2 ARG A 13 5.634 -3.728 11.932 1.00 1.83 N ATOM 0 H ARG A 13 7.003 -7.597 7.496 1.00 0.11 H new ATOM 0 HA ARG A 13 6.697 -5.656 5.540 1.00 0.10 H new ATOM 0 HB2 ARG A 13 6.504 -5.668 8.167 1.00 0.12 H new ATOM 0 HB3 ARG A 13 8.192 -5.196 8.123 1.00 0.12 H new ATOM 0 HG2 ARG A 13 7.478 -3.285 6.560 1.00 0.13 H new ATOM 0 HG3 ARG A 13 5.824 -3.691 6.972 1.00 0.13 H new ATOM 0 HD2 ARG A 13 8.022 -2.736 8.833 1.00 0.23 H new ATOM 0 HD3 ARG A 13 6.503 -1.942 8.470 1.00 0.23 H new ATOM 0 HE ARG A 13 5.989 -4.537 9.608 1.00 0.94 H new ATOM 0 HH11 ARG A 13 7.119 -1.293 10.438 1.00 1.16 H new ATOM 0 HH12 ARG A 13 6.567 -1.406 12.112 1.00 1.16 H new ATOM 0 HH21 ARG A 13 5.286 -4.671 11.760 1.00 1.83 H new ATOM 0 HH22 ARG A 13 5.535 -3.309 12.857 1.00 1.83 H new ATOM 206 N GLU A 14 9.777 -6.559 5.986 1.00 0.08 N ATOM 207 CA GLU A 14 11.135 -6.421 5.482 1.00 0.07 C ATOM 208 C GLU A 14 11.194 -6.726 3.990 1.00 0.07 C ATOM 209 O GLU A 14 11.851 -6.017 3.228 1.00 0.08 O ATOM 210 CB GLU A 14 12.077 -7.357 6.237 1.00 0.08 C ATOM 211 CG GLU A 14 13.535 -6.941 6.152 1.00 0.08 C ATOM 212 CD GLU A 14 14.224 -6.941 7.503 1.00 0.21 C ATOM 213 OE1 GLU A 14 14.413 -8.037 8.073 1.00 0.70 O ATOM 214 OE2 GLU A 14 14.574 -5.847 7.991 1.00 0.61 O ATOM 0 H GLU A 14 9.633 -7.368 6.590 1.00 0.08 H new ATOM 0 HA GLU A 14 11.451 -5.390 5.639 1.00 0.07 H new ATOM 0 HB2 GLU A 14 11.778 -7.394 7.284 1.00 0.08 H new ATOM 0 HB3 GLU A 14 11.971 -8.366 5.839 1.00 0.08 H new ATOM 0 HG2 GLU A 14 14.063 -7.617 5.480 1.00 0.08 H new ATOM 0 HG3 GLU A 14 13.599 -5.944 5.716 1.00 0.08 H new ATOM 221 N THR A 15 10.501 -7.784 3.581 1.00 0.08 N ATOM 222 CA THR A 15 10.472 -8.186 2.179 1.00 0.09 C ATOM 223 C THR A 15 9.907 -7.071 1.307 1.00 0.08 C ATOM 224 O THR A 15 10.482 -6.728 0.274 1.00 0.09 O ATOM 225 CB THR A 15 9.630 -9.460 1.978 1.00 0.10 C ATOM 226 OG1 THR A 15 10.048 -10.475 2.898 1.00 0.11 O ATOM 227 CG2 THR A 15 9.759 -9.976 0.553 1.00 0.14 C ATOM 0 H THR A 15 9.952 -8.379 4.201 1.00 0.08 H new ATOM 0 HA THR A 15 11.501 -8.392 1.883 1.00 0.09 H new ATOM 0 HB THR A 15 8.585 -9.210 2.164 1.00 0.10 H new ATOM 0 HG1 THR A 15 9.506 -11.281 2.764 1.00 0.11 H new ATOM 0 HG21 THR A 15 9.155 -10.876 0.436 1.00 0.14 H new ATOM 0 HG22 THR A 15 9.411 -9.213 -0.143 1.00 0.14 H new ATOM 0 HG23 THR A 15 10.803 -10.209 0.344 1.00 0.14 H new ATOM 235 N GLY A 16 8.782 -6.505 1.733 1.00 0.07 N ATOM 236 CA GLY A 16 8.162 -5.429 0.982 1.00 0.07 C ATOM 237 C GLY A 16 9.044 -4.198 0.914 1.00 0.07 C ATOM 238 O GLY A 16 9.033 -3.471 -0.080 1.00 0.10 O ATOM 0 H GLY A 16 8.289 -6.772 2.585 1.00 0.07 H new ATOM 0 HA2 GLY A 16 7.942 -5.773 -0.029 1.00 0.07 H new ATOM 0 HA3 GLY A 16 7.210 -5.167 1.444 1.00 0.07 H new ATOM 242 N GLU A 17 9.811 -3.969 1.974 1.00 0.06 N ATOM 243 CA GLU A 17 10.708 -2.823 2.038 1.00 0.07 C ATOM 244 C GLU A 17 11.894 -3.010 1.098 1.00 0.07 C ATOM 245 O GLU A 17 12.318 -2.072 0.424 1.00 0.10 O ATOM 246 CB GLU A 17 11.207 -2.618 3.468 1.00 0.07 C ATOM 247 CG GLU A 17 10.188 -1.960 4.384 1.00 0.09 C ATOM 248 CD GLU A 17 10.566 -2.077 5.847 1.00 0.10 C ATOM 249 OE1 GLU A 17 11.644 -1.572 6.225 1.00 0.15 O ATOM 250 OE2 GLU A 17 9.783 -2.674 6.617 1.00 0.13 O ATOM 0 H GLU A 17 9.829 -4.564 2.802 1.00 0.06 H new ATOM 0 HA GLU A 17 10.151 -1.940 1.724 1.00 0.07 H new ATOM 0 HB2 GLU A 17 11.488 -3.584 3.887 1.00 0.07 H new ATOM 0 HB3 GLU A 17 12.109 -2.006 3.444 1.00 0.07 H new ATOM 0 HG2 GLU A 17 10.092 -0.907 4.119 1.00 0.09 H new ATOM 0 HG3 GLU A 17 9.212 -2.419 4.226 1.00 0.09 H new ATOM 257 N LYS A 18 12.423 -4.229 1.060 1.00 0.07 N ATOM 258 CA LYS A 18 13.561 -4.543 0.204 1.00 0.08 C ATOM 259 C LYS A 18 13.142 -4.581 -1.261 1.00 0.07 C ATOM 260 O LYS A 18 13.926 -4.248 -2.150 1.00 0.09 O ATOM 261 CB LYS A 18 14.176 -5.884 0.610 1.00 0.10 C ATOM 262 CG LYS A 18 15.175 -5.773 1.751 1.00 0.15 C ATOM 263 CD LYS A 18 15.189 -7.031 2.605 1.00 0.20 C ATOM 264 CE LYS A 18 16.272 -7.999 2.155 1.00 0.31 C ATOM 265 NZ LYS A 18 15.733 -9.057 1.255 1.00 0.76 N ATOM 0 H LYS A 18 12.081 -5.016 1.612 1.00 0.07 H new ATOM 0 HA LYS A 18 14.308 -3.759 0.328 1.00 0.08 H new ATOM 0 HB2 LYS A 18 13.378 -6.567 0.901 1.00 0.10 H new ATOM 0 HB3 LYS A 18 14.672 -6.324 -0.255 1.00 0.10 H new ATOM 0 HG2 LYS A 18 16.172 -5.595 1.347 1.00 0.15 H new ATOM 0 HG3 LYS A 18 14.925 -4.913 2.372 1.00 0.15 H new ATOM 0 HD2 LYS A 18 15.351 -6.762 3.649 1.00 0.20 H new ATOM 0 HD3 LYS A 18 14.217 -7.520 2.550 1.00 0.20 H new ATOM 0 HE2 LYS A 18 17.059 -7.449 1.638 1.00 0.31 H new ATOM 0 HE3 LYS A 18 16.729 -8.464 3.029 1.00 0.31 H new ATOM 0 HZ1 LYS A 18 16.503 -9.696 0.971 1.00 0.76 H new ATOM 0 HZ2 LYS A 18 15.000 -9.599 1.756 1.00 0.76 H new ATOM 0 HZ3 LYS A 18 15.319 -8.616 0.409 1.00 0.76 H new ATOM 279 N LEU A 19 11.898 -4.984 -1.506 1.00 0.06 N ATOM 280 CA LEU A 19 11.373 -5.058 -2.864 1.00 0.07 C ATOM 281 C LEU A 19 11.354 -3.678 -3.509 1.00 0.07 C ATOM 282 O LEU A 19 11.920 -3.475 -4.582 1.00 0.11 O ATOM 283 CB LEU A 19 9.961 -5.647 -2.862 1.00 0.08 C ATOM 284 CG LEU A 19 9.891 -7.168 -2.713 1.00 0.09 C ATOM 285 CD1 LEU A 19 8.449 -7.624 -2.564 1.00 0.13 C ATOM 286 CD2 LEU A 19 10.549 -7.851 -3.902 1.00 0.15 C ATOM 0 H LEU A 19 11.236 -5.264 -0.782 1.00 0.06 H new ATOM 0 HA LEU A 19 12.028 -5.709 -3.444 1.00 0.07 H new ATOM 0 HB2 LEU A 19 9.396 -5.192 -2.049 1.00 0.08 H new ATOM 0 HB3 LEU A 19 9.466 -5.366 -3.791 1.00 0.08 H new ATOM 0 HG LEU A 19 10.434 -7.451 -1.811 1.00 0.09 H new ATOM 0 HD11 LEU A 19 8.419 -8.709 -2.459 1.00 0.13 H new ATOM 0 HD12 LEU A 19 8.011 -7.162 -1.679 1.00 0.13 H new ATOM 0 HD13 LEU A 19 7.881 -7.329 -3.446 1.00 0.13 H new ATOM 0 HD21 LEU A 19 10.490 -8.932 -3.779 1.00 0.15 H new ATOM 0 HD22 LEU A 19 10.035 -7.561 -4.818 1.00 0.15 H new ATOM 0 HD23 LEU A 19 11.595 -7.549 -3.962 1.00 0.15 H new ATOM 298 N LEU A 20 10.702 -2.732 -2.842 1.00 0.04 N ATOM 299 CA LEU A 20 10.613 -1.370 -3.347 1.00 0.05 C ATOM 300 C LEU A 20 12.003 -0.763 -3.506 1.00 0.05 C ATOM 301 O LEU A 20 12.290 -0.093 -4.497 1.00 0.07 O ATOM 302 CB LEU A 20 9.772 -0.506 -2.405 1.00 0.06 C ATOM 303 CG LEU A 20 8.264 -0.750 -2.462 1.00 0.07 C ATOM 304 CD1 LEU A 20 7.574 -0.062 -1.295 1.00 0.11 C ATOM 305 CD2 LEU A 20 7.689 -0.264 -3.783 1.00 0.07 C ATOM 0 H LEU A 20 10.228 -2.885 -1.952 1.00 0.04 H new ATOM 0 HA LEU A 20 10.131 -1.401 -4.324 1.00 0.05 H new ATOM 0 HB2 LEU A 20 10.112 -0.676 -1.383 1.00 0.06 H new ATOM 0 HB3 LEU A 20 9.962 0.543 -2.634 1.00 0.06 H new ATOM 0 HG LEU A 20 8.086 -1.823 -2.388 1.00 0.07 H new ATOM 0 HD11 LEU A 20 6.501 -0.244 -1.348 1.00 0.11 H new ATOM 0 HD12 LEU A 20 7.963 -0.458 -0.357 1.00 0.11 H new ATOM 0 HD13 LEU A 20 7.763 1.011 -1.342 1.00 0.11 H new ATOM 0 HD21 LEU A 20 6.615 -0.448 -3.802 1.00 0.07 H new ATOM 0 HD22 LEU A 20 7.876 0.804 -3.890 1.00 0.07 H new ATOM 0 HD23 LEU A 20 8.163 -0.800 -4.605 1.00 0.07 H new ATOM 317 N LEU A 21 12.863 -1.004 -2.521 1.00 0.05 N ATOM 318 CA LEU A 21 14.227 -0.485 -2.550 1.00 0.07 C ATOM 319 C LEU A 21 14.950 -0.911 -3.820 1.00 0.08 C ATOM 320 O LEU A 21 15.647 -0.112 -4.445 1.00 0.10 O ATOM 321 CB LEU A 21 15.015 -0.976 -1.337 1.00 0.08 C ATOM 322 CG LEU A 21 14.754 -0.216 -0.039 1.00 0.10 C ATOM 323 CD1 LEU A 21 15.408 -0.933 1.131 1.00 0.15 C ATOM 324 CD2 LEU A 21 15.273 1.208 -0.152 1.00 0.13 C ATOM 0 H LEU A 21 12.640 -1.556 -1.693 1.00 0.05 H new ATOM 0 HA LEU A 21 14.163 0.603 -2.527 1.00 0.07 H new ATOM 0 HB2 LEU A 21 14.783 -2.029 -1.175 1.00 0.08 H new ATOM 0 HB3 LEU A 21 16.079 -0.916 -1.567 1.00 0.08 H new ATOM 0 HG LEU A 21 13.679 -0.179 0.138 1.00 0.10 H new ATOM 0 HD11 LEU A 21 15.214 -0.381 2.050 1.00 0.15 H new ATOM 0 HD12 LEU A 21 14.996 -1.938 1.218 1.00 0.15 H new ATOM 0 HD13 LEU A 21 16.483 -0.995 0.965 1.00 0.15 H new ATOM 0 HD21 LEU A 21 15.081 1.740 0.780 1.00 0.13 H new ATOM 0 HD22 LEU A 21 16.346 1.190 -0.345 1.00 0.13 H new ATOM 0 HD23 LEU A 21 14.765 1.716 -0.971 1.00 0.13 H new ATOM 336 N ALA A 22 14.789 -2.176 -4.187 1.00 0.09 N ATOM 337 CA ALA A 22 15.438 -2.709 -5.375 1.00 0.11 C ATOM 338 C ALA A 22 14.942 -2.017 -6.641 1.00 0.10 C ATOM 339 O ALA A 22 15.723 -1.733 -7.549 1.00 0.12 O ATOM 340 CB ALA A 22 15.216 -4.210 -5.470 1.00 0.13 C ATOM 0 H ALA A 22 14.216 -2.850 -3.679 1.00 0.09 H new ATOM 0 HA ALA A 22 16.507 -2.514 -5.287 1.00 0.11 H new ATOM 0 HB1 ALA A 22 15.707 -4.595 -6.364 1.00 0.13 H new ATOM 0 HB2 ALA A 22 15.634 -4.696 -4.588 1.00 0.13 H new ATOM 0 HB3 ALA A 22 14.147 -4.417 -5.526 1.00 0.13 H new ATOM 346 N THR A 23 13.641 -1.750 -6.695 1.00 0.09 N ATOM 347 CA THR A 23 13.041 -1.093 -7.851 1.00 0.10 C ATOM 348 C THR A 23 13.713 0.247 -8.137 1.00 0.11 C ATOM 349 O THR A 23 14.137 0.510 -9.262 1.00 0.18 O ATOM 350 CB THR A 23 11.531 -0.864 -7.650 1.00 0.10 C ATOM 351 OG1 THR A 23 11.114 -1.410 -6.394 1.00 0.11 O ATOM 352 CG2 THR A 23 10.732 -1.507 -8.774 1.00 0.12 C ATOM 0 H THR A 23 12.982 -1.979 -5.951 1.00 0.09 H new ATOM 0 HA THR A 23 13.190 -1.759 -8.701 1.00 0.10 H new ATOM 0 HB THR A 23 11.346 0.210 -7.659 1.00 0.10 H new ATOM 0 HG1 THR A 23 11.263 -0.750 -5.685 1.00 0.11 H new ATOM 0 HG21 THR A 23 9.669 -1.332 -8.611 1.00 0.12 H new ATOM 0 HG22 THR A 23 11.029 -1.070 -9.728 1.00 0.12 H new ATOM 0 HG23 THR A 23 10.925 -2.580 -8.790 1.00 0.12 H new ATOM 360 N GLY A 24 13.809 1.086 -7.111 1.00 0.09 N ATOM 361 CA GLY A 24 14.435 2.387 -7.272 1.00 0.11 C ATOM 362 C GLY A 24 13.591 3.345 -8.090 1.00 0.11 C ATOM 363 O GLY A 24 14.123 4.189 -8.811 1.00 0.14 O ATOM 0 H GLY A 24 13.465 0.889 -6.171 1.00 0.09 H new ATOM 0 HA2 GLY A 24 14.620 2.821 -6.289 1.00 0.11 H new ATOM 0 HA3 GLY A 24 15.405 2.262 -7.753 1.00 0.11 H new ATOM 367 N LEU A 25 12.273 3.215 -7.978 1.00 0.08 N ATOM 368 CA LEU A 25 11.353 4.080 -8.710 1.00 0.09 C ATOM 369 C LEU A 25 10.260 4.613 -7.789 1.00 0.07 C ATOM 370 O LEU A 25 9.493 3.844 -7.209 1.00 0.07 O ATOM 371 CB LEU A 25 10.728 3.321 -9.882 1.00 0.11 C ATOM 372 CG LEU A 25 11.727 2.751 -10.891 1.00 0.16 C ATOM 373 CD1 LEU A 25 11.141 1.537 -11.595 1.00 0.20 C ATOM 374 CD2 LEU A 25 12.127 3.816 -11.901 1.00 0.21 C ATOM 0 H LEU A 25 11.818 2.519 -7.387 1.00 0.08 H new ATOM 0 HA LEU A 25 11.919 4.926 -9.098 1.00 0.09 H new ATOM 0 HB2 LEU A 25 10.128 2.502 -9.486 1.00 0.11 H new ATOM 0 HB3 LEU A 25 10.047 3.991 -10.407 1.00 0.11 H new ATOM 0 HG LEU A 25 12.620 2.435 -10.352 1.00 0.16 H new ATOM 0 HD11 LEU A 25 11.866 1.145 -12.309 1.00 0.20 H new ATOM 0 HD12 LEU A 25 10.905 0.768 -10.859 1.00 0.20 H new ATOM 0 HD13 LEU A 25 10.232 1.826 -12.123 1.00 0.20 H new ATOM 0 HD21 LEU A 25 12.838 3.395 -12.612 1.00 0.21 H new ATOM 0 HD22 LEU A 25 11.242 4.162 -12.435 1.00 0.21 H new ATOM 0 HD23 LEU A 25 12.588 4.656 -11.381 1.00 0.21 H new ATOM 386 N ASP A 26 10.198 5.933 -7.654 1.00 0.08 N ATOM 387 CA ASP A 26 9.202 6.571 -6.799 1.00 0.07 C ATOM 388 C ASP A 26 7.787 6.232 -7.257 1.00 0.07 C ATOM 389 O ASP A 26 7.555 5.943 -8.430 1.00 0.10 O ATOM 390 CB ASP A 26 9.399 8.088 -6.796 1.00 0.09 C ATOM 391 CG ASP A 26 10.817 8.487 -6.439 1.00 0.25 C ATOM 392 OD1 ASP A 26 11.120 8.581 -5.231 1.00 0.62 O ATOM 393 OD2 ASP A 26 11.624 8.708 -7.366 1.00 0.60 O ATOM 0 H ASP A 26 10.826 6.583 -8.126 1.00 0.08 H new ATOM 0 HA ASP A 26 9.335 6.190 -5.786 1.00 0.07 H new ATOM 0 HB2 ASP A 26 9.150 8.486 -7.780 1.00 0.09 H new ATOM 0 HB3 ASP A 26 8.708 8.540 -6.085 1.00 0.09 H new ATOM 398 N GLY A 27 6.845 6.277 -6.319 1.00 0.06 N ATOM 399 CA GLY A 27 5.461 5.980 -6.635 1.00 0.07 C ATOM 400 C GLY A 27 5.173 4.491 -6.670 1.00 0.06 C ATOM 401 O GLY A 27 4.012 4.081 -6.621 1.00 0.07 O ATOM 0 H GLY A 27 7.018 6.515 -5.342 1.00 0.06 H new ATOM 0 HA2 GLY A 27 4.815 6.453 -5.896 1.00 0.07 H new ATOM 0 HA3 GLY A 27 5.212 6.417 -7.602 1.00 0.07 H new ATOM 405 N SER A 28 6.225 3.678 -6.744 1.00 0.06 N ATOM 406 CA SER A 28 6.065 2.227 -6.772 1.00 0.06 C ATOM 407 C SER A 28 5.257 1.764 -5.567 1.00 0.06 C ATOM 408 O SER A 28 5.292 2.396 -4.511 1.00 0.10 O ATOM 409 CB SER A 28 7.431 1.536 -6.777 1.00 0.06 C ATOM 410 OG SER A 28 8.112 1.750 -8.000 1.00 0.09 O ATOM 0 H SER A 28 7.193 3.998 -6.785 1.00 0.06 H new ATOM 0 HA SER A 28 5.532 1.958 -7.684 1.00 0.06 H new ATOM 0 HB2 SER A 28 8.035 1.913 -5.951 1.00 0.06 H new ATOM 0 HB3 SER A 28 7.300 0.466 -6.614 1.00 0.06 H new ATOM 0 HG SER A 28 8.474 2.661 -8.018 1.00 0.09 H new ATOM 416 N TYR A 29 4.522 0.667 -5.722 1.00 0.05 N ATOM 417 CA TYR A 29 3.706 0.157 -4.623 1.00 0.05 C ATOM 418 C TYR A 29 3.462 -1.345 -4.735 1.00 0.05 C ATOM 419 O TYR A 29 3.626 -1.939 -5.801 1.00 0.06 O ATOM 420 CB TYR A 29 2.363 0.893 -4.579 1.00 0.05 C ATOM 421 CG TYR A 29 1.530 0.713 -5.832 1.00 0.06 C ATOM 422 CD1 TYR A 29 0.634 -0.345 -5.948 1.00 0.08 C ATOM 423 CD2 TYR A 29 1.633 1.606 -6.898 1.00 0.06 C ATOM 424 CE1 TYR A 29 -0.135 -0.507 -7.087 1.00 0.09 C ATOM 425 CE2 TYR A 29 0.864 1.447 -8.037 1.00 0.08 C ATOM 426 CZ TYR A 29 0.015 0.372 -8.144 1.00 0.09 C ATOM 427 OH TYR A 29 -0.782 0.232 -9.258 1.00 0.12 O ATOM 0 H TYR A 29 4.473 0.121 -6.582 1.00 0.05 H new ATOM 0 HA TYR A 29 4.259 0.336 -3.701 1.00 0.05 H new ATOM 0 HB2 TYR A 29 1.793 0.539 -3.720 1.00 0.05 H new ATOM 0 HB3 TYR A 29 2.546 1.956 -4.424 1.00 0.05 H new ATOM 0 HD1 TYR A 29 0.537 -1.051 -5.136 1.00 0.08 H new ATOM 0 HD2 TYR A 29 2.323 2.434 -6.834 1.00 0.06 H new ATOM 0 HE1 TYR A 29 -0.848 -1.315 -7.150 1.00 0.09 H new ATOM 0 HE2 TYR A 29 0.931 2.166 -8.840 1.00 0.08 H new ATOM 0 HH TYR A 29 -0.556 0.926 -9.911 1.00 0.12 H new ATOM 437 N LEU A 30 3.052 -1.943 -3.620 1.00 0.05 N ATOM 438 CA LEU A 30 2.763 -3.371 -3.563 1.00 0.05 C ATOM 439 C LEU A 30 1.833 -3.683 -2.398 1.00 0.05 C ATOM 440 O LEU A 30 1.461 -2.792 -1.632 1.00 0.06 O ATOM 441 CB LEU A 30 4.045 -4.183 -3.416 1.00 0.06 C ATOM 442 CG LEU A 30 4.875 -3.856 -2.174 1.00 0.06 C ATOM 443 CD1 LEU A 30 4.777 -4.982 -1.156 1.00 0.07 C ATOM 444 CD2 LEU A 30 6.325 -3.598 -2.550 1.00 0.07 C ATOM 0 H LEU A 30 2.912 -1.454 -2.736 1.00 0.05 H new ATOM 0 HA LEU A 30 2.276 -3.646 -4.498 1.00 0.05 H new ATOM 0 HB2 LEU A 30 3.787 -5.242 -3.394 1.00 0.06 H new ATOM 0 HB3 LEU A 30 4.662 -4.024 -4.300 1.00 0.06 H new ATOM 0 HG LEU A 30 4.474 -2.949 -1.722 1.00 0.06 H new ATOM 0 HD11 LEU A 30 5.374 -4.732 -0.279 1.00 0.07 H new ATOM 0 HD12 LEU A 30 3.736 -5.116 -0.861 1.00 0.07 H new ATOM 0 HD13 LEU A 30 5.151 -5.906 -1.598 1.00 0.07 H new ATOM 0 HD21 LEU A 30 6.898 -3.367 -1.652 1.00 0.07 H new ATOM 0 HD22 LEU A 30 6.740 -4.485 -3.028 1.00 0.07 H new ATOM 0 HD23 LEU A 30 6.378 -2.756 -3.240 1.00 0.07 H new ATOM 456 N LEU A 31 1.463 -4.952 -2.267 1.00 0.05 N ATOM 457 CA LEU A 31 0.578 -5.378 -1.193 1.00 0.07 C ATOM 458 C LEU A 31 1.223 -6.475 -0.353 1.00 0.09 C ATOM 459 O LEU A 31 1.950 -7.324 -0.871 1.00 0.16 O ATOM 460 CB LEU A 31 -0.747 -5.874 -1.769 1.00 0.07 C ATOM 461 CG LEU A 31 -1.879 -4.847 -1.771 1.00 0.08 C ATOM 462 CD1 LEU A 31 -1.477 -3.598 -2.541 1.00 0.11 C ATOM 463 CD2 LEU A 31 -3.134 -5.460 -2.364 1.00 0.09 C ATOM 0 H LEU A 31 1.762 -5.701 -2.891 1.00 0.05 H new ATOM 0 HA LEU A 31 0.391 -4.519 -0.548 1.00 0.07 H new ATOM 0 HB2 LEU A 31 -0.578 -6.207 -2.793 1.00 0.07 H new ATOM 0 HB3 LEU A 31 -1.069 -6.746 -1.199 1.00 0.07 H new ATOM 0 HG LEU A 31 -2.083 -4.554 -0.741 1.00 0.08 H new ATOM 0 HD11 LEU A 31 -2.299 -2.882 -2.528 1.00 0.11 H new ATOM 0 HD12 LEU A 31 -0.599 -3.150 -2.075 1.00 0.11 H new ATOM 0 HD13 LEU A 31 -1.245 -3.865 -3.572 1.00 0.11 H new ATOM 0 HD21 LEU A 31 -3.936 -4.722 -2.362 1.00 0.09 H new ATOM 0 HD22 LEU A 31 -2.935 -5.777 -3.388 1.00 0.09 H new ATOM 0 HD23 LEU A 31 -3.434 -6.323 -1.769 1.00 0.09 H new ATOM 475 N ARG A 32 0.950 -6.448 0.947 1.00 0.08 N ATOM 476 CA ARG A 32 1.498 -7.434 1.869 1.00 0.11 C ATOM 477 C ARG A 32 0.482 -7.784 2.954 1.00 0.10 C ATOM 478 O ARG A 32 -0.340 -6.952 3.339 1.00 0.16 O ATOM 479 CB ARG A 32 2.797 -6.904 2.498 1.00 0.17 C ATOM 480 CG ARG A 32 2.783 -6.844 4.021 1.00 0.17 C ATOM 481 CD ARG A 32 3.573 -5.656 4.541 1.00 0.29 C ATOM 482 NE ARG A 32 3.387 -5.460 5.978 1.00 0.56 N ATOM 483 CZ ARG A 32 3.843 -6.299 6.905 1.00 1.09 C ATOM 484 NH1 ARG A 32 4.510 -7.390 6.549 1.00 1.88 N ATOM 485 NH2 ARG A 32 3.632 -6.048 8.189 1.00 1.26 N ATOM 0 H ARG A 32 0.350 -5.750 1.387 1.00 0.08 H new ATOM 0 HA ARG A 32 1.723 -8.343 1.311 1.00 0.11 H new ATOM 0 HB2 ARG A 32 3.625 -7.538 2.180 1.00 0.17 H new ATOM 0 HB3 ARG A 32 2.993 -5.905 2.109 1.00 0.17 H new ATOM 0 HG2 ARG A 32 1.754 -6.780 4.374 1.00 0.17 H new ATOM 0 HG3 ARG A 32 3.202 -7.765 4.426 1.00 0.17 H new ATOM 0 HD2 ARG A 32 4.632 -5.805 4.330 1.00 0.29 H new ATOM 0 HD3 ARG A 32 3.265 -4.755 4.010 1.00 0.29 H new ATOM 0 HE ARG A 32 2.878 -4.632 6.288 1.00 0.56 H new ATOM 0 HH11 ARG A 32 4.675 -7.588 5.562 1.00 1.88 H new ATOM 0 HH12 ARG A 32 4.858 -8.031 7.262 1.00 1.88 H new ATOM 0 HH21 ARG A 32 3.120 -5.211 8.468 1.00 1.26 H new ATOM 0 HH22 ARG A 32 3.982 -6.692 8.899 1.00 1.26 H new ATOM 499 N ASP A 33 0.551 -9.014 3.450 1.00 0.10 N ATOM 500 CA ASP A 33 -0.355 -9.466 4.498 1.00 0.11 C ATOM 501 C ASP A 33 0.223 -9.149 5.873 1.00 0.13 C ATOM 502 O ASP A 33 1.179 -9.789 6.315 1.00 0.19 O ATOM 503 CB ASP A 33 -0.615 -10.969 4.370 1.00 0.15 C ATOM 504 CG ASP A 33 -1.329 -11.325 3.081 1.00 0.19 C ATOM 505 OD1 ASP A 33 -2.233 -10.566 2.672 1.00 0.43 O ATOM 506 OD2 ASP A 33 -0.985 -12.365 2.481 1.00 0.67 O ATOM 0 H ASP A 33 1.225 -9.716 3.143 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.302 -8.938 4.385 1.00 0.11 H new ATOM 0 HB2 ASP A 33 0.333 -11.504 4.416 1.00 0.15 H new ATOM 0 HB3 ASP A 33 -1.212 -11.305 5.218 1.00 0.15 H new ATOM 511 N SER A 34 -0.355 -8.152 6.539 1.00 0.14 N ATOM 512 CA SER A 34 0.105 -7.739 7.861 1.00 0.18 C ATOM 513 C SER A 34 0.265 -8.938 8.791 1.00 0.21 C ATOM 514 O SER A 34 -0.711 -9.604 9.137 1.00 0.25 O ATOM 515 CB SER A 34 -0.874 -6.733 8.471 1.00 0.20 C ATOM 516 OG SER A 34 -0.524 -6.427 9.810 1.00 0.27 O ATOM 0 H SER A 34 -1.145 -7.614 6.183 1.00 0.14 H new ATOM 0 HA SER A 34 1.080 -7.267 7.744 1.00 0.18 H new ATOM 0 HB2 SER A 34 -0.880 -5.820 7.876 1.00 0.20 H new ATOM 0 HB3 SER A 34 -1.885 -7.140 8.440 1.00 0.20 H new ATOM 0 HG SER A 34 -0.261 -5.485 9.872 1.00 0.27 H new ATOM 522 N GLU A 35 1.506 -9.206 9.188 1.00 0.25 N ATOM 523 CA GLU A 35 1.804 -10.324 10.076 1.00 0.31 C ATOM 524 C GLU A 35 1.185 -10.110 11.453 1.00 0.34 C ATOM 525 O GLU A 35 0.397 -10.929 11.925 1.00 0.47 O ATOM 526 CB GLU A 35 3.316 -10.507 10.211 1.00 0.36 C ATOM 527 CG GLU A 35 3.938 -11.300 9.073 1.00 0.55 C ATOM 528 CD GLU A 35 5.406 -11.600 9.305 1.00 1.29 C ATOM 529 OE1 GLU A 35 6.236 -10.691 9.098 1.00 1.94 O ATOM 530 OE2 GLU A 35 5.724 -12.743 9.692 1.00 1.77 O ATOM 0 H GLU A 35 2.322 -8.663 8.908 1.00 0.25 H new ATOM 0 HA GLU A 35 1.371 -11.224 9.639 1.00 0.31 H new ATOM 0 HB2 GLU A 35 3.789 -9.526 10.260 1.00 0.36 H new ATOM 0 HB3 GLU A 35 3.530 -11.012 11.153 1.00 0.36 H new ATOM 0 HG2 GLU A 35 3.395 -12.237 8.949 1.00 0.55 H new ATOM 0 HG3 GLU A 35 3.828 -10.742 8.143 1.00 0.55 H new ATOM 537 N SER A 36 1.551 -9.003 12.093 1.00 0.32 N ATOM 538 CA SER A 36 1.036 -8.679 13.420 1.00 0.35 C ATOM 539 C SER A 36 -0.485 -8.563 13.402 1.00 0.33 C ATOM 540 O SER A 36 -1.149 -8.851 14.398 1.00 0.42 O ATOM 541 CB SER A 36 1.654 -7.372 13.923 1.00 0.38 C ATOM 542 OG SER A 36 2.467 -6.776 12.927 1.00 0.50 O ATOM 0 H SER A 36 2.202 -8.315 11.714 1.00 0.32 H new ATOM 0 HA SER A 36 1.311 -9.488 14.097 1.00 0.35 H new ATOM 0 HB2 SER A 36 0.863 -6.680 14.213 1.00 0.38 H new ATOM 0 HB3 SER A 36 2.250 -7.567 14.815 1.00 0.38 H new ATOM 0 HG SER A 36 1.915 -6.203 12.354 1.00 0.50 H new ATOM 548 N VAL A 37 -1.029 -8.139 12.266 1.00 0.26 N ATOM 549 CA VAL A 37 -2.472 -7.988 12.121 1.00 0.26 C ATOM 550 C VAL A 37 -3.001 -8.854 10.979 1.00 0.24 C ATOM 551 O VAL A 37 -3.180 -8.378 9.856 1.00 0.20 O ATOM 552 CB VAL A 37 -2.860 -6.517 11.866 1.00 0.27 C ATOM 553 CG1 VAL A 37 -4.333 -6.293 12.172 1.00 0.31 C ATOM 554 CG2 VAL A 37 -1.991 -5.584 12.694 1.00 0.31 C ATOM 0 H VAL A 37 -0.493 -7.894 11.433 1.00 0.26 H new ATOM 0 HA VAL A 37 -2.923 -8.314 13.058 1.00 0.26 H new ATOM 0 HB VAL A 37 -2.692 -6.294 10.812 1.00 0.27 H new ATOM 0 HG11 VAL A 37 -4.589 -5.250 11.986 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -4.939 -6.934 11.532 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -4.528 -6.534 13.217 1.00 0.31 H new ATOM 0 HG21 VAL A 37 -2.280 -4.551 12.501 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -2.125 -5.806 13.753 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -0.945 -5.725 12.423 1.00 0.31 H new ATOM 564 N PRO A 38 -3.257 -10.148 11.251 1.00 0.28 N ATOM 565 CA PRO A 38 -3.764 -11.085 10.241 1.00 0.29 C ATOM 566 C PRO A 38 -5.131 -10.678 9.704 1.00 0.27 C ATOM 567 O PRO A 38 -6.052 -10.396 10.471 1.00 0.30 O ATOM 568 CB PRO A 38 -3.866 -12.419 10.995 1.00 0.35 C ATOM 569 CG PRO A 38 -3.011 -12.255 12.204 1.00 0.51 C ATOM 570 CD PRO A 38 -3.070 -10.798 12.558 1.00 0.35 C ATOM 0 HA PRO A 38 -3.112 -11.124 9.369 1.00 0.29 H new ATOM 0 HB2 PRO A 38 -4.898 -12.637 11.270 1.00 0.35 H new ATOM 0 HB3 PRO A 38 -3.519 -13.247 10.377 1.00 0.35 H new ATOM 0 HG2 PRO A 38 -3.375 -12.871 13.026 1.00 0.51 H new ATOM 0 HG3 PRO A 38 -1.986 -12.566 12.002 1.00 0.51 H new ATOM 0 HD2 PRO A 38 -3.893 -10.581 13.238 1.00 0.35 H new ATOM 0 HD3 PRO A 38 -2.155 -10.464 13.048 1.00 0.35 H new ATOM 578 N GLY A 39 -5.256 -10.651 8.380 1.00 0.26 N ATOM 579 CA GLY A 39 -6.514 -10.281 7.760 1.00 0.26 C ATOM 580 C GLY A 39 -6.479 -8.892 7.156 1.00 0.23 C ATOM 581 O GLY A 39 -7.357 -8.526 6.374 1.00 0.32 O ATOM 0 H GLY A 39 -4.507 -10.879 7.726 1.00 0.26 H new ATOM 0 HA2 GLY A 39 -6.759 -11.005 6.983 1.00 0.26 H new ATOM 0 HA3 GLY A 39 -7.310 -10.330 8.503 1.00 0.26 H new ATOM 585 N VAL A 40 -5.464 -8.115 7.520 1.00 0.15 N ATOM 586 CA VAL A 40 -5.320 -6.757 7.009 1.00 0.12 C ATOM 587 C VAL A 40 -4.184 -6.667 5.995 1.00 0.11 C ATOM 588 O VAL A 40 -3.153 -7.324 6.142 1.00 0.17 O ATOM 589 CB VAL A 40 -5.062 -5.754 8.149 1.00 0.13 C ATOM 590 CG1 VAL A 40 -4.991 -4.333 7.610 1.00 0.14 C ATOM 591 CG2 VAL A 40 -6.138 -5.873 9.216 1.00 0.16 C ATOM 0 H VAL A 40 -4.729 -8.403 8.167 1.00 0.15 H new ATOM 0 HA VAL A 40 -6.259 -6.502 6.518 1.00 0.12 H new ATOM 0 HB VAL A 40 -4.100 -5.991 8.604 1.00 0.13 H new ATOM 0 HG11 VAL A 40 -4.808 -3.641 8.432 1.00 0.14 H new ATOM 0 HG12 VAL A 40 -4.180 -4.259 6.886 1.00 0.14 H new ATOM 0 HG13 VAL A 40 -5.934 -4.080 7.126 1.00 0.14 H new ATOM 0 HG21 VAL A 40 -5.940 -5.157 10.014 1.00 0.16 H new ATOM 0 HG22 VAL A 40 -7.113 -5.664 8.775 1.00 0.16 H new ATOM 0 HG23 VAL A 40 -6.134 -6.883 9.626 1.00 0.16 H new ATOM 601 N TYR A 41 -4.381 -5.848 4.968 1.00 0.09 N ATOM 602 CA TYR A 41 -3.376 -5.665 3.928 1.00 0.09 C ATOM 603 C TYR A 41 -2.653 -4.334 4.102 1.00 0.07 C ATOM 604 O TYR A 41 -3.210 -3.381 4.642 1.00 0.08 O ATOM 605 CB TYR A 41 -4.027 -5.733 2.546 1.00 0.12 C ATOM 606 CG TYR A 41 -4.842 -6.986 2.326 1.00 0.10 C ATOM 607 CD1 TYR A 41 -4.235 -8.174 1.941 1.00 0.14 C ATOM 608 CD2 TYR A 41 -6.218 -6.980 2.509 1.00 0.13 C ATOM 609 CE1 TYR A 41 -4.977 -9.323 1.744 1.00 0.17 C ATOM 610 CE2 TYR A 41 -6.968 -8.124 2.315 1.00 0.15 C ATOM 611 CZ TYR A 41 -6.343 -9.292 1.933 1.00 0.15 C ATOM 612 OH TYR A 41 -7.086 -10.434 1.740 1.00 0.20 O ATOM 0 H TYR A 41 -5.230 -5.299 4.833 1.00 0.09 H new ATOM 0 HA TYR A 41 -2.644 -6.468 4.015 1.00 0.09 H new ATOM 0 HB2 TYR A 41 -4.670 -4.863 2.412 1.00 0.12 H new ATOM 0 HB3 TYR A 41 -3.250 -5.676 1.784 1.00 0.12 H new ATOM 0 HD1 TYR A 41 -3.166 -8.200 1.793 1.00 0.14 H new ATOM 0 HD2 TYR A 41 -6.710 -6.066 2.808 1.00 0.13 H new ATOM 0 HE1 TYR A 41 -4.491 -10.239 1.444 1.00 0.17 H new ATOM 0 HE2 TYR A 41 -8.038 -8.103 2.462 1.00 0.15 H new ATOM 0 HH TYR A 41 -8.031 -10.243 1.915 1.00 0.20 H new ATOM 622 N CYS A 42 -1.407 -4.279 3.644 1.00 0.06 N ATOM 623 CA CYS A 42 -0.607 -3.064 3.753 1.00 0.06 C ATOM 624 C CYS A 42 -0.072 -2.636 2.390 1.00 0.07 C ATOM 625 O CYS A 42 0.593 -3.410 1.700 1.00 0.13 O ATOM 626 CB CYS A 42 0.553 -3.280 4.727 1.00 0.07 C ATOM 627 SG CYS A 42 0.039 -3.769 6.390 1.00 0.18 S ATOM 0 H CYS A 42 -0.930 -5.060 3.194 1.00 0.06 H new ATOM 0 HA CYS A 42 -1.249 -2.269 4.133 1.00 0.06 H new ATOM 0 HB2 CYS A 42 1.215 -4.046 4.323 1.00 0.07 H new ATOM 0 HB3 CYS A 42 1.134 -2.360 4.794 1.00 0.07 H new ATOM 0 HG CYS A 42 1.089 -3.930 7.139 1.00 0.18 H new ATOM 633 N LEU A 43 -0.367 -1.395 2.010 1.00 0.05 N ATOM 634 CA LEU A 43 0.084 -0.856 0.731 1.00 0.05 C ATOM 635 C LEU A 43 1.395 -0.091 0.904 1.00 0.05 C ATOM 636 O LEU A 43 1.424 0.986 1.499 1.00 0.07 O ATOM 637 CB LEU A 43 -0.993 0.056 0.135 1.00 0.06 C ATOM 638 CG LEU A 43 -0.575 0.848 -1.108 1.00 0.07 C ATOM 639 CD1 LEU A 43 -0.608 -0.036 -2.345 1.00 0.10 C ATOM 640 CD2 LEU A 43 -1.481 2.057 -1.295 1.00 0.11 C ATOM 0 H LEU A 43 -0.917 -0.744 2.571 1.00 0.05 H new ATOM 0 HA LEU A 43 0.260 -1.685 0.046 1.00 0.05 H new ATOM 0 HB2 LEU A 43 -1.860 -0.554 -0.119 1.00 0.06 H new ATOM 0 HB3 LEU A 43 -1.313 0.761 0.903 1.00 0.06 H new ATOM 0 HG LEU A 43 0.447 1.197 -0.964 1.00 0.07 H new ATOM 0 HD11 LEU A 43 -0.308 0.546 -3.216 1.00 0.10 H new ATOM 0 HD12 LEU A 43 0.079 -0.872 -2.213 1.00 0.10 H new ATOM 0 HD13 LEU A 43 -1.619 -0.416 -2.493 1.00 0.10 H new ATOM 0 HD21 LEU A 43 -1.172 2.610 -2.182 1.00 0.11 H new ATOM 0 HD22 LEU A 43 -2.512 1.724 -1.416 1.00 0.11 H new ATOM 0 HD23 LEU A 43 -1.409 2.704 -0.421 1.00 0.11 H new ATOM 652 N CYS A 44 2.476 -0.663 0.382 1.00 0.04 N ATOM 653 CA CYS A 44 3.797 -0.051 0.475 1.00 0.05 C ATOM 654 C CYS A 44 4.029 0.934 -0.666 1.00 0.04 C ATOM 655 O CYS A 44 3.552 0.729 -1.778 1.00 0.04 O ATOM 656 CB CYS A 44 4.879 -1.130 0.462 1.00 0.06 C ATOM 657 SG CYS A 44 4.527 -2.541 1.535 1.00 0.18 S ATOM 0 H CYS A 44 2.462 -1.555 -0.113 1.00 0.04 H new ATOM 0 HA CYS A 44 3.849 0.499 1.415 1.00 0.05 H new ATOM 0 HB2 CYS A 44 5.008 -1.487 -0.560 1.00 0.06 H new ATOM 0 HB3 CYS A 44 5.826 -0.684 0.766 1.00 0.06 H new ATOM 0 HG CYS A 44 5.499 -3.401 1.454 1.00 0.18 H new ATOM 663 N VAL A 45 4.764 2.003 -0.377 1.00 0.05 N ATOM 664 CA VAL A 45 5.065 3.022 -1.377 1.00 0.05 C ATOM 665 C VAL A 45 6.541 3.412 -1.326 1.00 0.04 C ATOM 666 O VAL A 45 7.124 3.537 -0.250 1.00 0.07 O ATOM 667 CB VAL A 45 4.187 4.280 -1.181 1.00 0.05 C ATOM 668 CG1 VAL A 45 4.889 5.532 -1.693 1.00 0.06 C ATOM 669 CG2 VAL A 45 2.845 4.103 -1.874 1.00 0.07 C ATOM 0 H VAL A 45 5.163 2.187 0.544 1.00 0.05 H new ATOM 0 HA VAL A 45 4.843 2.594 -2.354 1.00 0.05 H new ATOM 0 HB VAL A 45 4.017 4.406 -0.112 1.00 0.05 H new ATOM 0 HG11 VAL A 45 4.245 6.398 -1.540 1.00 0.06 H new ATOM 0 HG12 VAL A 45 5.823 5.674 -1.149 1.00 0.06 H new ATOM 0 HG13 VAL A 45 5.102 5.421 -2.756 1.00 0.06 H new ATOM 0 HG21 VAL A 45 2.239 4.997 -1.727 1.00 0.07 H new ATOM 0 HG22 VAL A 45 3.004 3.944 -2.941 1.00 0.07 H new ATOM 0 HG23 VAL A 45 2.329 3.241 -1.452 1.00 0.07 H new ATOM 679 N LEU A 46 7.137 3.601 -2.500 1.00 0.04 N ATOM 680 CA LEU A 46 8.543 3.974 -2.593 1.00 0.04 C ATOM 681 C LEU A 46 8.699 5.480 -2.771 1.00 0.04 C ATOM 682 O LEU A 46 8.083 6.077 -3.655 1.00 0.06 O ATOM 683 CB LEU A 46 9.210 3.243 -3.760 1.00 0.04 C ATOM 684 CG LEU A 46 10.739 3.299 -3.770 1.00 0.05 C ATOM 685 CD1 LEU A 46 11.310 2.611 -2.539 1.00 0.06 C ATOM 686 CD2 LEU A 46 11.288 2.664 -5.037 1.00 0.06 C ATOM 0 H LEU A 46 6.667 3.502 -3.400 1.00 0.04 H new ATOM 0 HA LEU A 46 9.030 3.684 -1.662 1.00 0.04 H new ATOM 0 HB2 LEU A 46 8.900 2.198 -3.739 1.00 0.04 H new ATOM 0 HB3 LEU A 46 8.840 3.667 -4.694 1.00 0.04 H new ATOM 0 HG LEU A 46 11.042 4.346 -3.749 1.00 0.05 H new ATOM 0 HD11 LEU A 46 12.398 2.662 -2.566 1.00 0.06 H new ATOM 0 HD12 LEU A 46 10.945 3.110 -1.641 1.00 0.06 H new ATOM 0 HD13 LEU A 46 10.996 1.567 -2.527 1.00 0.06 H new ATOM 0 HD21 LEU A 46 12.377 2.713 -5.026 1.00 0.06 H new ATOM 0 HD22 LEU A 46 10.972 1.622 -5.088 1.00 0.06 H new ATOM 0 HD23 LEU A 46 10.909 3.201 -5.907 1.00 0.06 H new ATOM 698 N TYR A 47 9.528 6.088 -1.929 1.00 0.05 N ATOM 699 CA TYR A 47 9.768 7.524 -1.994 1.00 0.06 C ATOM 700 C TYR A 47 11.016 7.902 -1.202 1.00 0.08 C ATOM 701 O TYR A 47 11.059 7.745 0.018 1.00 0.09 O ATOM 702 CB TYR A 47 8.555 8.290 -1.462 1.00 0.07 C ATOM 703 CG TYR A 47 8.703 9.795 -1.530 1.00 0.10 C ATOM 704 CD1 TYR A 47 8.693 10.458 -2.750 1.00 0.13 C ATOM 705 CD2 TYR A 47 8.853 10.550 -0.374 1.00 0.14 C ATOM 706 CE1 TYR A 47 8.827 11.833 -2.816 1.00 0.17 C ATOM 707 CE2 TYR A 47 8.988 11.924 -0.432 1.00 0.18 C ATOM 708 CZ TYR A 47 8.975 12.561 -1.655 1.00 0.18 C ATOM 709 OH TYR A 47 9.107 13.929 -1.717 1.00 0.22 O ATOM 0 H TYR A 47 10.045 5.607 -1.193 1.00 0.05 H new ATOM 0 HA TYR A 47 9.928 7.795 -3.038 1.00 0.06 H new ATOM 0 HB2 TYR A 47 7.673 7.995 -2.031 1.00 0.07 H new ATOM 0 HB3 TYR A 47 8.379 7.998 -0.427 1.00 0.07 H new ATOM 0 HD1 TYR A 47 8.579 9.891 -3.662 1.00 0.13 H new ATOM 0 HD2 TYR A 47 8.864 10.055 0.586 1.00 0.14 H new ATOM 0 HE1 TYR A 47 8.816 12.334 -3.773 1.00 0.17 H new ATOM 0 HE2 TYR A 47 9.103 12.496 0.477 1.00 0.18 H new ATOM 0 HH TYR A 47 9.201 14.290 -0.811 1.00 0.22 H new ATOM 719 N HIS A 48 12.030 8.396 -1.908 1.00 0.12 N ATOM 720 CA HIS A 48 13.284 8.795 -1.278 1.00 0.14 C ATOM 721 C HIS A 48 13.916 7.624 -0.531 1.00 0.15 C ATOM 722 O HIS A 48 14.487 7.795 0.545 1.00 0.21 O ATOM 723 CB HIS A 48 13.050 9.967 -0.321 1.00 0.15 C ATOM 724 CG HIS A 48 12.746 11.261 -1.014 1.00 0.19 C ATOM 725 ND1 HIS A 48 12.669 12.468 -0.351 1.00 0.33 N ATOM 726 CD2 HIS A 48 12.501 11.535 -2.318 1.00 0.19 C ATOM 727 CE1 HIS A 48 12.388 13.427 -1.216 1.00 0.35 C ATOM 728 NE2 HIS A 48 12.281 12.887 -2.416 1.00 0.24 N ATOM 0 H HIS A 48 12.007 8.529 -2.919 1.00 0.12 H new ATOM 0 HA HIS A 48 13.971 9.111 -2.063 1.00 0.14 H new ATOM 0 HB2 HIS A 48 12.224 9.720 0.346 1.00 0.15 H new ATOM 0 HB3 HIS A 48 13.935 10.098 0.302 1.00 0.15 H new ATOM 0 HD2 HIS A 48 12.482 10.823 -3.130 1.00 0.19 H new ATOM 0 HE1 HIS A 48 12.267 14.474 -0.981 1.00 0.35 H new ATOM 0 HE2 HIS A 48 12.069 13.392 -3.276 1.00 0.24 H new ATOM 737 N GLY A 49 13.809 6.434 -1.115 1.00 0.13 N ATOM 738 CA GLY A 49 14.376 5.248 -0.499 1.00 0.13 C ATOM 739 C GLY A 49 13.627 4.822 0.750 1.00 0.11 C ATOM 740 O GLY A 49 14.209 4.227 1.656 1.00 0.16 O ATOM 0 H GLY A 49 13.339 6.270 -2.005 1.00 0.13 H new ATOM 0 HA2 GLY A 49 14.368 4.430 -1.219 1.00 0.13 H new ATOM 0 HA3 GLY A 49 15.419 5.439 -0.245 1.00 0.13 H new ATOM 744 N TYR A 50 12.333 5.129 0.799 1.00 0.08 N ATOM 745 CA TYR A 50 11.508 4.773 1.948 1.00 0.07 C ATOM 746 C TYR A 50 10.325 3.905 1.527 1.00 0.07 C ATOM 747 O TYR A 50 10.001 3.810 0.343 1.00 0.12 O ATOM 748 CB TYR A 50 11.004 6.034 2.653 1.00 0.09 C ATOM 749 CG TYR A 50 12.046 6.705 3.522 1.00 0.10 C ATOM 750 CD1 TYR A 50 12.798 5.971 4.432 1.00 0.17 C ATOM 751 CD2 TYR A 50 12.277 8.071 3.432 1.00 0.20 C ATOM 752 CE1 TYR A 50 13.751 6.581 5.226 1.00 0.19 C ATOM 753 CE2 TYR A 50 13.228 8.688 4.223 1.00 0.22 C ATOM 754 CZ TYR A 50 13.961 7.939 5.118 1.00 0.17 C ATOM 755 OH TYR A 50 14.908 8.550 5.907 1.00 0.21 O ATOM 0 H TYR A 50 11.835 5.622 0.058 1.00 0.08 H new ATOM 0 HA TYR A 50 12.126 4.200 2.639 1.00 0.07 H new ATOM 0 HB2 TYR A 50 10.658 6.745 1.903 1.00 0.09 H new ATOM 0 HB3 TYR A 50 10.143 5.775 3.269 1.00 0.09 H new ATOM 0 HD1 TYR A 50 12.635 4.907 4.520 1.00 0.17 H new ATOM 0 HD2 TYR A 50 11.704 8.661 2.732 1.00 0.20 H new ATOM 0 HE1 TYR A 50 14.328 5.997 5.927 1.00 0.19 H new ATOM 0 HE2 TYR A 50 13.396 9.752 4.140 1.00 0.22 H new ATOM 0 HH TYR A 50 14.932 9.509 5.706 1.00 0.21 H new ATOM 765 N ILE A 51 9.687 3.273 2.508 1.00 0.06 N ATOM 766 CA ILE A 51 8.539 2.412 2.249 1.00 0.06 C ATOM 767 C ILE A 51 7.376 2.756 3.173 1.00 0.06 C ATOM 768 O ILE A 51 7.321 2.303 4.317 1.00 0.08 O ATOM 769 CB ILE A 51 8.905 0.923 2.421 1.00 0.06 C ATOM 770 CG1 ILE A 51 9.944 0.509 1.377 1.00 0.06 C ATOM 771 CG2 ILE A 51 7.662 0.049 2.312 1.00 0.08 C ATOM 772 CD1 ILE A 51 11.372 0.640 1.860 1.00 0.07 C ATOM 0 H ILE A 51 9.947 3.342 3.492 1.00 0.06 H new ATOM 0 HA ILE A 51 8.237 2.584 1.216 1.00 0.06 H new ATOM 0 HB ILE A 51 9.334 0.785 3.413 1.00 0.06 H new ATOM 0 HG12 ILE A 51 9.761 -0.525 1.085 1.00 0.06 H new ATOM 0 HG13 ILE A 51 9.814 1.120 0.484 1.00 0.06 H new ATOM 0 HG21 ILE A 51 7.941 -0.997 2.436 1.00 0.08 H new ATOM 0 HG22 ILE A 51 6.951 0.329 3.089 1.00 0.08 H new ATOM 0 HG23 ILE A 51 7.204 0.189 1.333 1.00 0.08 H new ATOM 0 HD11 ILE A 51 12.054 0.329 1.068 1.00 0.07 H new ATOM 0 HD12 ILE A 51 11.573 1.678 2.125 1.00 0.07 H new ATOM 0 HD13 ILE A 51 11.520 0.007 2.735 1.00 0.07 H new ATOM 784 N TYR A 52 6.445 3.558 2.666 1.00 0.06 N ATOM 785 CA TYR A 52 5.279 3.959 3.443 1.00 0.06 C ATOM 786 C TYR A 52 4.197 2.890 3.372 1.00 0.07 C ATOM 787 O TYR A 52 3.799 2.467 2.287 1.00 0.09 O ATOM 788 CB TYR A 52 4.731 5.292 2.935 1.00 0.07 C ATOM 789 CG TYR A 52 5.703 6.442 3.075 1.00 0.07 C ATOM 790 CD1 TYR A 52 6.764 6.595 2.190 1.00 0.09 C ATOM 791 CD2 TYR A 52 5.559 7.377 4.092 1.00 0.10 C ATOM 792 CE1 TYR A 52 7.652 7.646 2.316 1.00 0.11 C ATOM 793 CE2 TYR A 52 6.441 8.431 4.224 1.00 0.12 C ATOM 794 CZ TYR A 52 7.487 8.561 3.334 1.00 0.12 C ATOM 795 OH TYR A 52 8.368 9.609 3.462 1.00 0.15 O ATOM 0 H TYR A 52 6.476 3.942 1.722 1.00 0.06 H new ATOM 0 HA TYR A 52 5.586 4.079 4.482 1.00 0.06 H new ATOM 0 HB2 TYR A 52 4.457 5.186 1.885 1.00 0.07 H new ATOM 0 HB3 TYR A 52 3.818 5.531 3.481 1.00 0.07 H new ATOM 0 HD1 TYR A 52 6.896 5.881 1.391 1.00 0.09 H new ATOM 0 HD2 TYR A 52 4.743 7.278 4.792 1.00 0.10 H new ATOM 0 HE1 TYR A 52 8.471 7.750 1.620 1.00 0.11 H new ATOM 0 HE2 TYR A 52 6.313 9.150 5.020 1.00 0.12 H new ATOM 0 HH TYR A 52 8.110 10.162 4.229 1.00 0.15 H new ATOM 805 N THR A 53 3.734 2.449 4.534 1.00 0.09 N ATOM 806 CA THR A 53 2.707 1.419 4.606 1.00 0.10 C ATOM 807 C THR A 53 1.389 1.981 5.135 1.00 0.11 C ATOM 808 O THR A 53 1.365 2.712 6.125 1.00 0.15 O ATOM 809 CB THR A 53 3.165 0.245 5.500 1.00 0.11 C ATOM 810 OG1 THR A 53 3.980 -0.656 4.742 1.00 0.15 O ATOM 811 CG2 THR A 53 1.978 -0.511 6.082 1.00 0.14 C ATOM 0 H THR A 53 4.054 2.789 5.441 1.00 0.09 H new ATOM 0 HA THR A 53 2.546 1.054 3.592 1.00 0.10 H new ATOM 0 HB THR A 53 3.742 0.661 6.326 1.00 0.11 H new ATOM 0 HG1 THR A 53 4.268 -1.397 5.315 1.00 0.15 H new ATOM 0 HG21 THR A 53 2.338 -1.330 6.705 1.00 0.14 H new ATOM 0 HG22 THR A 53 1.376 0.167 6.686 1.00 0.14 H new ATOM 0 HG23 THR A 53 1.370 -0.912 5.272 1.00 0.14 H new ATOM 819 N TYR A 54 0.294 1.623 4.469 1.00 0.12 N ATOM 820 CA TYR A 54 -1.033 2.076 4.870 1.00 0.13 C ATOM 821 C TYR A 54 -1.922 0.881 5.200 1.00 0.15 C ATOM 822 O TYR A 54 -1.801 -0.181 4.589 1.00 0.31 O ATOM 823 CB TYR A 54 -1.674 2.918 3.764 1.00 0.14 C ATOM 824 CG TYR A 54 -0.695 3.807 3.028 1.00 0.14 C ATOM 825 CD1 TYR A 54 -0.088 4.883 3.666 1.00 0.15 C ATOM 826 CD2 TYR A 54 -0.380 3.572 1.696 1.00 0.20 C ATOM 827 CE1 TYR A 54 0.804 5.699 2.995 1.00 0.18 C ATOM 828 CE2 TYR A 54 0.512 4.383 1.019 1.00 0.22 C ATOM 829 CZ TYR A 54 1.100 5.445 1.673 1.00 0.20 C ATOM 830 OH TYR A 54 1.988 6.254 1.001 1.00 0.24 O ATOM 0 H TYR A 54 0.301 1.019 3.647 1.00 0.12 H new ATOM 0 HA TYR A 54 -0.929 2.696 5.760 1.00 0.13 H new ATOM 0 HB2 TYR A 54 -2.156 2.253 3.047 1.00 0.14 H new ATOM 0 HB3 TYR A 54 -2.457 3.538 4.200 1.00 0.14 H new ATOM 0 HD1 TYR A 54 -0.317 5.085 4.702 1.00 0.15 H new ATOM 0 HD2 TYR A 54 -0.840 2.742 1.180 1.00 0.20 H new ATOM 0 HE1 TYR A 54 1.267 6.531 3.504 1.00 0.18 H new ATOM 0 HE2 TYR A 54 0.747 4.186 -0.017 1.00 0.22 H new ATOM 0 HH TYR A 54 1.665 6.408 0.089 1.00 0.24 H new ATOM 840 N ARG A 55 -2.809 1.057 6.174 1.00 0.10 N ATOM 841 CA ARG A 55 -3.707 -0.013 6.591 1.00 0.11 C ATOM 842 C ARG A 55 -4.941 -0.087 5.696 1.00 0.11 C ATOM 843 O ARG A 55 -5.785 0.809 5.706 1.00 0.16 O ATOM 844 CB ARG A 55 -4.128 0.187 8.046 1.00 0.12 C ATOM 845 CG ARG A 55 -3.042 -0.178 9.045 1.00 0.11 C ATOM 846 CD ARG A 55 -3.631 -0.607 10.378 1.00 0.18 C ATOM 847 NE ARG A 55 -3.263 0.306 11.457 1.00 0.64 N ATOM 848 CZ ARG A 55 -2.104 0.251 12.108 1.00 1.18 C ATOM 849 NH1 ARG A 55 -1.203 -0.669 11.790 1.00 1.62 N ATOM 850 NH2 ARG A 55 -1.844 1.120 13.075 1.00 1.62 N ATOM 0 H ARG A 55 -2.925 1.930 6.689 1.00 0.10 H new ATOM 0 HA ARG A 55 -3.167 -0.955 6.499 1.00 0.11 H new ATOM 0 HB2 ARG A 55 -4.412 1.229 8.194 1.00 0.12 H new ATOM 0 HB3 ARG A 55 -5.013 -0.416 8.246 1.00 0.12 H new ATOM 0 HG2 ARG A 55 -2.430 -0.984 8.640 1.00 0.11 H new ATOM 0 HG3 ARG A 55 -2.383 0.677 9.196 1.00 0.11 H new ATOM 0 HD2 ARG A 55 -4.717 -0.653 10.297 1.00 0.18 H new ATOM 0 HD3 ARG A 55 -3.286 -1.612 10.620 1.00 0.18 H new ATOM 0 HE ARG A 55 -3.933 1.027 11.727 1.00 0.64 H new ATOM 0 HH11 ARG A 55 -1.398 -1.337 11.044 1.00 1.62 H new ATOM 0 HH12 ARG A 55 -0.315 -0.708 12.291 1.00 1.62 H new ATOM 0 HH21 ARG A 55 -2.533 1.831 13.320 1.00 1.62 H new ATOM 0 HH22 ARG A 55 -0.955 1.077 13.574 1.00 1.62 H new ATOM 864 N VAL A 56 -5.039 -1.168 4.930 1.00 0.10 N ATOM 865 CA VAL A 56 -6.167 -1.377 4.031 1.00 0.10 C ATOM 866 C VAL A 56 -6.935 -2.637 4.417 1.00 0.11 C ATOM 867 O VAL A 56 -6.407 -3.747 4.333 1.00 0.12 O ATOM 868 CB VAL A 56 -5.706 -1.498 2.566 1.00 0.11 C ATOM 869 CG1 VAL A 56 -6.895 -1.442 1.619 1.00 0.15 C ATOM 870 CG2 VAL A 56 -4.701 -0.407 2.231 1.00 0.15 C ATOM 0 H VAL A 56 -4.346 -1.917 4.914 1.00 0.10 H new ATOM 0 HA VAL A 56 -6.818 -0.507 4.124 1.00 0.10 H new ATOM 0 HB VAL A 56 -5.218 -2.465 2.441 1.00 0.11 H new ATOM 0 HG11 VAL A 56 -6.545 -1.529 0.590 1.00 0.15 H new ATOM 0 HG12 VAL A 56 -7.576 -2.263 1.842 1.00 0.15 H new ATOM 0 HG13 VAL A 56 -7.417 -0.493 1.746 1.00 0.15 H new ATOM 0 HG21 VAL A 56 -4.387 -0.508 1.192 1.00 0.15 H new ATOM 0 HG22 VAL A 56 -5.162 0.570 2.377 1.00 0.15 H new ATOM 0 HG23 VAL A 56 -3.833 -0.499 2.883 1.00 0.15 H new ATOM 880 N SER A 57 -8.179 -2.461 4.849 1.00 0.11 N ATOM 881 CA SER A 57 -9.015 -3.586 5.253 1.00 0.12 C ATOM 882 C SER A 57 -10.448 -3.409 4.767 1.00 0.12 C ATOM 883 O SER A 57 -10.876 -2.297 4.455 1.00 0.11 O ATOM 884 CB SER A 57 -8.996 -3.736 6.776 1.00 0.13 C ATOM 885 OG SER A 57 -8.211 -2.722 7.379 1.00 0.38 O ATOM 0 H SER A 57 -8.631 -1.550 4.928 1.00 0.11 H new ATOM 0 HA SER A 57 -8.609 -4.489 4.797 1.00 0.12 H new ATOM 0 HB2 SER A 57 -10.014 -3.689 7.162 1.00 0.13 H new ATOM 0 HB3 SER A 57 -8.598 -4.715 7.043 1.00 0.13 H new ATOM 0 HG SER A 57 -8.216 -2.839 8.352 1.00 0.38 H new ATOM 891 N GLN A 58 -11.184 -4.514 4.705 1.00 0.14 N ATOM 892 CA GLN A 58 -12.572 -4.486 4.257 1.00 0.15 C ATOM 893 C GLN A 58 -13.525 -4.441 5.448 1.00 0.17 C ATOM 894 O GLN A 58 -13.510 -5.329 6.301 1.00 0.20 O ATOM 895 CB GLN A 58 -12.876 -5.709 3.391 1.00 0.20 C ATOM 896 CG GLN A 58 -14.091 -5.534 2.495 1.00 0.24 C ATOM 897 CD GLN A 58 -14.624 -6.852 1.970 1.00 0.36 C ATOM 898 OE1 GLN A 58 -14.804 -7.807 2.726 1.00 0.88 O ATOM 899 NE2 GLN A 58 -14.881 -6.911 0.669 1.00 0.55 N ATOM 0 H GLN A 58 -10.842 -5.441 4.960 1.00 0.14 H new ATOM 0 HA GLN A 58 -12.718 -3.585 3.662 1.00 0.15 H new ATOM 0 HB2 GLN A 58 -12.007 -5.930 2.771 1.00 0.20 H new ATOM 0 HB3 GLN A 58 -13.034 -6.572 4.038 1.00 0.20 H new ATOM 0 HG2 GLN A 58 -14.878 -5.024 3.051 1.00 0.24 H new ATOM 0 HG3 GLN A 58 -13.828 -4.892 1.654 1.00 0.24 H new ATOM 0 HE21 GLN A 58 -14.717 -6.095 0.079 1.00 0.55 H new ATOM 0 HE22 GLN A 58 -15.243 -7.772 0.259 1.00 0.55 H new ATOM 908 N THR A 59 -14.353 -3.402 5.497 1.00 0.20 N ATOM 909 CA THR A 59 -15.314 -3.239 6.582 1.00 0.25 C ATOM 910 C THR A 59 -16.436 -4.269 6.484 1.00 0.30 C ATOM 911 O THR A 59 -16.438 -5.114 5.590 1.00 0.31 O ATOM 912 CB THR A 59 -15.924 -1.826 6.579 1.00 0.27 C ATOM 913 OG1 THR A 59 -16.568 -1.572 5.325 1.00 0.26 O ATOM 914 CG2 THR A 59 -14.852 -0.774 6.823 1.00 0.25 C ATOM 0 H THR A 59 -14.378 -2.660 4.797 1.00 0.20 H new ATOM 0 HA THR A 59 -14.770 -3.390 7.514 1.00 0.25 H new ATOM 0 HB THR A 59 -16.658 -1.770 7.383 1.00 0.27 H new ATOM 0 HG1 THR A 59 -17.518 -1.384 5.477 1.00 0.26 H new ATOM 0 HG21 THR A 59 -15.306 0.217 6.817 1.00 0.25 H new ATOM 0 HG22 THR A 59 -14.382 -0.951 7.790 1.00 0.25 H new ATOM 0 HG23 THR A 59 -14.099 -0.833 6.037 1.00 0.25 H new ATOM 922 N GLU A 60 -17.387 -4.191 7.411 1.00 0.36 N ATOM 923 CA GLU A 60 -18.514 -5.119 7.430 1.00 0.41 C ATOM 924 C GLU A 60 -19.509 -4.797 6.319 1.00 0.42 C ATOM 925 O GLU A 60 -20.444 -5.559 6.070 1.00 0.48 O ATOM 926 CB GLU A 60 -19.217 -5.072 8.788 1.00 0.48 C ATOM 927 CG GLU A 60 -19.726 -3.690 9.163 1.00 0.53 C ATOM 928 CD GLU A 60 -19.946 -3.536 10.656 1.00 1.17 C ATOM 929 OE1 GLU A 60 -18.946 -3.507 11.404 1.00 2.10 O ATOM 930 OE2 GLU A 60 -21.118 -3.446 11.076 1.00 1.43 O ATOM 0 H GLU A 60 -17.400 -3.496 8.158 1.00 0.36 H new ATOM 0 HA GLU A 60 -18.125 -6.123 7.262 1.00 0.41 H new ATOM 0 HB2 GLU A 60 -20.056 -5.768 8.778 1.00 0.48 H new ATOM 0 HB3 GLU A 60 -18.526 -5.417 9.557 1.00 0.48 H new ATOM 0 HG2 GLU A 60 -19.011 -2.939 8.825 1.00 0.53 H new ATOM 0 HG3 GLU A 60 -20.662 -3.497 8.639 1.00 0.53 H new ATOM 937 N THR A 61 -19.306 -3.663 5.655 1.00 0.39 N ATOM 938 CA THR A 61 -20.188 -3.244 4.572 1.00 0.41 C ATOM 939 C THR A 61 -19.652 -3.697 3.218 1.00 0.38 C ATOM 940 O THR A 61 -20.200 -3.346 2.173 1.00 0.42 O ATOM 941 CB THR A 61 -20.372 -1.716 4.553 1.00 0.41 C ATOM 942 OG1 THR A 61 -19.097 -1.067 4.614 1.00 0.45 O ATOM 943 CG2 THR A 61 -21.232 -1.259 5.722 1.00 0.72 C ATOM 0 H THR A 61 -18.539 -3.019 5.848 1.00 0.39 H new ATOM 0 HA THR A 61 -21.154 -3.715 4.754 1.00 0.41 H new ATOM 0 HB THR A 61 -20.874 -1.446 3.624 1.00 0.41 H new ATOM 0 HG1 THR A 61 -18.749 -0.943 3.706 1.00 0.45 H new ATOM 0 HG21 THR A 61 -21.348 -0.176 5.687 1.00 0.72 H new ATOM 0 HG22 THR A 61 -22.213 -1.731 5.659 1.00 0.72 H new ATOM 0 HG23 THR A 61 -20.753 -1.543 6.659 1.00 0.72 H new ATOM 951 N GLY A 62 -18.578 -4.480 3.244 1.00 0.34 N ATOM 952 CA GLY A 62 -17.986 -4.968 2.013 1.00 0.33 C ATOM 953 C GLY A 62 -17.302 -3.870 1.223 1.00 0.30 C ATOM 954 O GLY A 62 -17.318 -3.880 -0.008 1.00 0.46 O ATOM 0 H GLY A 62 -18.107 -4.785 4.096 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -17.262 -5.748 2.246 1.00 0.33 H new ATOM 0 HA3 GLY A 62 -18.761 -5.426 1.398 1.00 0.33 H new ATOM 958 N SER A 63 -16.701 -2.920 1.933 1.00 0.20 N ATOM 959 CA SER A 63 -16.009 -1.808 1.291 1.00 0.16 C ATOM 960 C SER A 63 -14.546 -1.756 1.720 1.00 0.14 C ATOM 961 O SER A 63 -14.198 -2.161 2.828 1.00 0.20 O ATOM 962 CB SER A 63 -16.701 -0.487 1.634 1.00 0.16 C ATOM 963 OG SER A 63 -18.015 -0.710 2.115 1.00 0.27 O ATOM 0 H SER A 63 -16.679 -2.898 2.953 1.00 0.20 H new ATOM 0 HA SER A 63 -16.046 -1.962 0.213 1.00 0.16 H new ATOM 0 HB2 SER A 63 -16.120 0.047 2.387 1.00 0.16 H new ATOM 0 HB3 SER A 63 -16.737 0.149 0.749 1.00 0.16 H new ATOM 0 HG SER A 63 -18.458 0.151 2.268 1.00 0.27 H new ATOM 969 N TRP A 64 -13.692 -1.253 0.833 1.00 0.11 N ATOM 970 CA TRP A 64 -12.265 -1.147 1.117 1.00 0.10 C ATOM 971 C TRP A 64 -11.879 0.292 1.443 1.00 0.10 C ATOM 972 O TRP A 64 -12.085 1.199 0.636 1.00 0.13 O ATOM 973 CB TRP A 64 -11.449 -1.652 -0.073 1.00 0.10 C ATOM 974 CG TRP A 64 -11.743 -3.073 -0.436 1.00 0.11 C ATOM 975 CD1 TRP A 64 -12.734 -3.520 -1.260 1.00 0.13 C ATOM 976 CD2 TRP A 64 -11.039 -4.236 0.014 1.00 0.13 C ATOM 977 NE1 TRP A 64 -12.690 -4.889 -1.351 1.00 0.15 N ATOM 978 CE2 TRP A 64 -11.659 -5.354 -0.578 1.00 0.15 C ATOM 979 CE3 TRP A 64 -9.944 -4.443 0.859 1.00 0.16 C ATOM 980 CZ2 TRP A 64 -11.220 -6.656 -0.350 1.00 0.18 C ATOM 981 CZ3 TRP A 64 -9.510 -5.736 1.083 1.00 0.20 C ATOM 982 CH2 TRP A 64 -10.147 -6.828 0.480 1.00 0.21 C ATOM 0 H TRP A 64 -13.964 -0.912 -0.089 1.00 0.11 H new ATOM 0 HA TRP A 64 -12.046 -1.766 1.987 1.00 0.10 H new ATOM 0 HB2 TRP A 64 -11.647 -1.016 -0.936 1.00 0.10 H new ATOM 0 HB3 TRP A 64 -10.388 -1.556 0.157 1.00 0.10 H new ATOM 0 HD1 TRP A 64 -13.449 -2.889 -1.767 1.00 0.13 H new ATOM 0 HE1 TRP A 64 -13.323 -5.467 -1.905 1.00 0.15 H new ATOM 0 HE3 TRP A 64 -9.446 -3.607 1.328 1.00 0.16 H new ATOM 0 HZ2 TRP A 64 -11.710 -7.500 -0.813 1.00 0.18 H new ATOM 0 HZ3 TRP A 64 -8.665 -5.907 1.734 1.00 0.20 H new ATOM 0 HH2 TRP A 64 -9.783 -7.826 0.675 1.00 0.21 H new ATOM 993 N SER A 65 -11.318 0.495 2.631 1.00 0.10 N ATOM 994 CA SER A 65 -10.905 1.825 3.066 1.00 0.11 C ATOM 995 C SER A 65 -9.431 1.835 3.463 1.00 0.11 C ATOM 996 O SER A 65 -8.912 0.849 3.985 1.00 0.18 O ATOM 997 CB SER A 65 -11.765 2.290 4.242 1.00 0.13 C ATOM 998 OG SER A 65 -12.748 1.323 4.568 1.00 0.23 O ATOM 0 H SER A 65 -11.139 -0.245 3.310 1.00 0.10 H new ATOM 0 HA SER A 65 -11.042 2.512 2.231 1.00 0.11 H new ATOM 0 HB2 SER A 65 -11.131 2.476 5.109 1.00 0.13 H new ATOM 0 HB3 SER A 65 -12.248 3.235 3.992 1.00 0.13 H new ATOM 0 HG SER A 65 -13.632 1.747 4.582 1.00 0.23 H new ATOM 1004 N ALA A 66 -8.764 2.957 3.209 1.00 0.10 N ATOM 1005 CA ALA A 66 -7.350 3.098 3.538 1.00 0.11 C ATOM 1006 C ALA A 66 -7.150 4.044 4.717 1.00 0.11 C ATOM 1007 O ALA A 66 -7.767 5.108 4.784 1.00 0.19 O ATOM 1008 CB ALA A 66 -6.573 3.590 2.327 1.00 0.14 C ATOM 0 H ALA A 66 -9.180 3.782 2.776 1.00 0.10 H new ATOM 0 HA ALA A 66 -6.971 2.117 3.826 1.00 0.11 H new ATOM 0 HB1 ALA A 66 -5.519 3.691 2.587 1.00 0.14 H new ATOM 0 HB2 ALA A 66 -6.679 2.874 1.512 1.00 0.14 H new ATOM 0 HB3 ALA A 66 -6.963 4.558 2.013 1.00 0.14 H new ATOM 1014 N GLU A 67 -6.281 3.651 5.643 1.00 0.10 N ATOM 1015 CA GLU A 67 -5.993 4.462 6.820 1.00 0.11 C ATOM 1016 C GLU A 67 -4.612 5.101 6.712 1.00 0.12 C ATOM 1017 O GLU A 67 -3.593 4.416 6.794 1.00 0.19 O ATOM 1018 CB GLU A 67 -6.077 3.610 8.088 1.00 0.13 C ATOM 1019 CG GLU A 67 -5.889 4.406 9.370 1.00 0.20 C ATOM 1020 CD GLU A 67 -6.939 4.086 10.416 1.00 0.69 C ATOM 1021 OE1 GLU A 67 -7.007 2.917 10.851 1.00 1.17 O ATOM 1022 OE2 GLU A 67 -7.694 5.004 10.799 1.00 1.15 O ATOM 0 H GLU A 67 -5.763 2.773 5.600 1.00 0.10 H new ATOM 0 HA GLU A 67 -6.739 5.255 6.876 1.00 0.11 H new ATOM 0 HB2 GLU A 67 -7.046 3.113 8.118 1.00 0.13 H new ATOM 0 HB3 GLU A 67 -5.319 2.828 8.041 1.00 0.13 H new ATOM 0 HG2 GLU A 67 -4.900 4.200 9.779 1.00 0.20 H new ATOM 0 HG3 GLU A 67 -5.924 5.471 9.140 1.00 0.20 H new ATOM 1029 N THR A 68 -4.589 6.417 6.524 1.00 0.12 N ATOM 1030 CA THR A 68 -3.336 7.150 6.400 1.00 0.15 C ATOM 1031 C THR A 68 -3.083 8.018 7.630 1.00 0.16 C ATOM 1032 O THR A 68 -3.623 7.758 8.705 1.00 0.18 O ATOM 1033 CB THR A 68 -3.334 8.040 5.144 1.00 0.19 C ATOM 1034 OG1 THR A 68 -4.387 9.008 5.226 1.00 0.23 O ATOM 1035 CG2 THR A 68 -3.507 7.200 3.887 1.00 0.17 C ATOM 0 H THR A 68 -5.425 6.997 6.454 1.00 0.12 H new ATOM 0 HA THR A 68 -2.540 6.411 6.314 1.00 0.15 H new ATOM 0 HB THR A 68 -2.374 8.553 5.091 1.00 0.19 H new ATOM 0 HG1 THR A 68 -4.281 9.668 4.509 1.00 0.23 H new ATOM 0 HG21 THR A 68 -3.503 7.850 3.012 1.00 0.17 H new ATOM 0 HG22 THR A 68 -2.688 6.485 3.812 1.00 0.17 H new ATOM 0 HG23 THR A 68 -4.454 6.663 3.936 1.00 0.17 H new ATOM 1043 N ALA A 69 -2.259 9.051 7.465 1.00 0.16 N ATOM 1044 CA ALA A 69 -1.936 9.955 8.563 1.00 0.19 C ATOM 1045 C ALA A 69 -3.153 10.786 8.966 1.00 0.21 C ATOM 1046 O ALA A 69 -4.055 11.008 8.158 1.00 0.22 O ATOM 1047 CB ALA A 69 -0.779 10.864 8.170 1.00 0.21 C ATOM 0 H ALA A 69 -1.804 9.281 6.582 1.00 0.16 H new ATOM 0 HA ALA A 69 -1.639 9.355 9.423 1.00 0.19 H new ATOM 0 HB1 ALA A 69 -0.546 11.535 8.997 1.00 0.21 H new ATOM 0 HB2 ALA A 69 0.097 10.258 7.937 1.00 0.21 H new ATOM 0 HB3 ALA A 69 -1.058 11.451 7.295 1.00 0.21 H new ATOM 1053 N PRO A 70 -3.198 11.258 10.228 1.00 0.26 N ATOM 1054 CA PRO A 70 -4.316 12.067 10.729 1.00 0.30 C ATOM 1055 C PRO A 70 -4.590 13.283 9.850 1.00 0.32 C ATOM 1056 O PRO A 70 -3.756 13.669 9.030 1.00 0.39 O ATOM 1057 CB PRO A 70 -3.849 12.509 12.118 1.00 0.37 C ATOM 1058 CG PRO A 70 -2.846 11.488 12.527 1.00 0.36 C ATOM 1059 CD PRO A 70 -2.167 11.042 11.262 1.00 0.29 C ATOM 0 HA PRO A 70 -5.249 11.504 10.740 1.00 0.30 H new ATOM 0 HB2 PRO A 70 -3.409 13.506 12.088 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -4.681 12.549 12.821 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -2.126 11.908 13.229 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -3.327 10.648 13.028 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -1.268 11.625 11.061 1.00 0.29 H new ATOM 0 HD3 PRO A 70 -1.864 9.996 11.315 1.00 0.29 H new ATOM 1067 N GLY A 71 -5.764 13.882 10.026 1.00 0.33 N ATOM 1068 CA GLY A 71 -6.127 15.047 9.241 1.00 0.36 C ATOM 1069 C GLY A 71 -6.614 14.683 7.852 1.00 0.31 C ATOM 1070 O GLY A 71 -6.912 15.560 7.041 1.00 0.36 O ATOM 0 H GLY A 71 -6.470 13.581 10.698 1.00 0.33 H new ATOM 0 HA2 GLY A 71 -6.907 15.603 9.762 1.00 0.36 H new ATOM 0 HA3 GLY A 71 -5.265 15.708 9.158 1.00 0.36 H new ATOM 1074 N VAL A 72 -6.695 13.384 7.578 1.00 0.24 N ATOM 1075 CA VAL A 72 -7.150 12.902 6.280 1.00 0.20 C ATOM 1076 C VAL A 72 -8.251 11.860 6.439 1.00 0.20 C ATOM 1077 O VAL A 72 -8.032 10.795 7.017 1.00 0.31 O ATOM 1078 CB VAL A 72 -5.991 12.291 5.467 1.00 0.20 C ATOM 1079 CG1 VAL A 72 -6.493 11.755 4.134 1.00 0.19 C ATOM 1080 CG2 VAL A 72 -4.889 13.318 5.256 1.00 0.26 C ATOM 0 H VAL A 72 -6.451 12.647 8.239 1.00 0.24 H new ATOM 0 HA VAL A 72 -7.543 13.764 5.742 1.00 0.20 H new ATOM 0 HB VAL A 72 -5.577 11.456 6.033 1.00 0.20 H new ATOM 0 HG11 VAL A 72 -5.659 11.328 3.576 1.00 0.19 H new ATOM 0 HG12 VAL A 72 -7.243 10.984 4.311 1.00 0.19 H new ATOM 0 HG13 VAL A 72 -6.936 12.568 3.559 1.00 0.19 H new ATOM 0 HG21 VAL A 72 -4.079 12.870 4.680 1.00 0.26 H new ATOM 0 HG22 VAL A 72 -5.289 14.175 4.713 1.00 0.26 H new ATOM 0 HG23 VAL A 72 -4.508 13.647 6.223 1.00 0.26 H new ATOM 1090 N HIS A 73 -9.435 12.175 5.924 1.00 0.23 N ATOM 1091 CA HIS A 73 -10.572 11.267 6.012 1.00 0.27 C ATOM 1092 C HIS A 73 -10.347 10.028 5.150 1.00 0.24 C ATOM 1093 O HIS A 73 -9.758 10.109 4.072 1.00 0.29 O ATOM 1094 CB HIS A 73 -11.856 11.978 5.580 1.00 0.34 C ATOM 1095 CG HIS A 73 -13.099 11.206 5.894 1.00 0.41 C ATOM 1096 ND1 HIS A 73 -13.651 11.146 7.157 1.00 0.55 N ATOM 1097 CD2 HIS A 73 -13.902 10.458 5.100 1.00 0.41 C ATOM 1098 CE1 HIS A 73 -14.736 10.393 7.127 1.00 0.60 C ATOM 1099 NE2 HIS A 73 -14.910 9.965 5.890 1.00 0.51 N ATOM 0 H HIS A 73 -9.632 13.052 5.442 1.00 0.23 H new ATOM 0 HA HIS A 73 -10.673 10.952 7.050 1.00 0.27 H new ATOM 0 HB2 HIS A 73 -11.907 12.950 6.071 1.00 0.34 H new ATOM 0 HB3 HIS A 73 -11.815 12.165 4.507 1.00 0.34 H new ATOM 0 HD2 HIS A 73 -13.773 10.282 4.042 1.00 0.41 H new ATOM 0 HE1 HIS A 73 -15.372 10.166 7.970 1.00 0.60 H new ATOM 0 HE2 HIS A 73 -15.671 9.365 5.573 1.00 0.51 H new ATOM 1108 N LYS A 74 -10.821 8.883 5.634 1.00 0.25 N ATOM 1109 CA LYS A 74 -10.672 7.625 4.909 1.00 0.22 C ATOM 1110 C LYS A 74 -11.845 7.404 3.959 1.00 0.22 C ATOM 1111 O LYS A 74 -12.979 7.204 4.394 1.00 0.29 O ATOM 1112 CB LYS A 74 -10.565 6.446 5.885 1.00 0.21 C ATOM 1113 CG LYS A 74 -10.360 6.860 7.335 1.00 0.44 C ATOM 1114 CD LYS A 74 -10.115 5.655 8.229 1.00 0.45 C ATOM 1115 CE LYS A 74 -11.419 5.081 8.760 1.00 1.26 C ATOM 1116 NZ LYS A 74 -11.189 4.131 9.884 1.00 1.77 N ATOM 0 H LYS A 74 -11.311 8.801 6.525 1.00 0.25 H new ATOM 0 HA LYS A 74 -9.754 7.684 4.324 1.00 0.22 H new ATOM 0 HB2 LYS A 74 -11.472 5.845 5.814 1.00 0.21 H new ATOM 0 HB3 LYS A 74 -9.736 5.808 5.579 1.00 0.21 H new ATOM 0 HG2 LYS A 74 -9.513 7.543 7.403 1.00 0.44 H new ATOM 0 HG3 LYS A 74 -11.237 7.403 7.687 1.00 0.44 H new ATOM 0 HD2 LYS A 74 -9.580 4.888 7.669 1.00 0.45 H new ATOM 0 HD3 LYS A 74 -9.477 5.944 9.064 1.00 0.45 H new ATOM 0 HE2 LYS A 74 -12.063 5.893 9.097 1.00 1.26 H new ATOM 0 HE3 LYS A 74 -11.946 4.570 7.954 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 -12.102 3.761 10.218 1.00 1.77 H new ATOM 0 HZ2 LYS A 74 -10.595 3.343 9.556 1.00 1.77 H new ATOM 0 HZ3 LYS A 74 -10.709 4.625 10.663 1.00 1.77 H new ATOM 1130 N ARG A 75 -11.562 7.441 2.661 1.00 0.20 N ATOM 1131 CA ARG A 75 -12.592 7.244 1.648 1.00 0.19 C ATOM 1132 C ARG A 75 -12.991 5.774 1.559 1.00 0.18 C ATOM 1133 O ARG A 75 -12.163 4.884 1.747 1.00 0.25 O ATOM 1134 CB ARG A 75 -12.098 7.734 0.286 1.00 0.21 C ATOM 1135 CG ARG A 75 -13.215 7.975 -0.716 1.00 0.26 C ATOM 1136 CD ARG A 75 -13.681 9.422 -0.691 1.00 0.44 C ATOM 1137 NE ARG A 75 -14.916 9.612 -1.446 1.00 1.24 N ATOM 1138 CZ ARG A 75 -16.127 9.610 -0.894 1.00 2.00 C ATOM 1139 NH1 ARG A 75 -16.263 9.426 0.413 1.00 2.39 N ATOM 1140 NH2 ARG A 75 -17.201 9.793 -1.649 1.00 2.93 N ATOM 0 H ARG A 75 -10.628 7.606 2.286 1.00 0.20 H new ATOM 0 HA ARG A 75 -13.468 7.824 1.938 1.00 0.19 H new ATOM 0 HB2 ARG A 75 -11.539 8.659 0.423 1.00 0.21 H new ATOM 0 HB3 ARG A 75 -11.405 7.000 -0.125 1.00 0.21 H new ATOM 0 HG2 ARG A 75 -12.868 7.720 -1.718 1.00 0.26 H new ATOM 0 HG3 ARG A 75 -14.055 7.317 -0.492 1.00 0.26 H new ATOM 0 HD2 ARG A 75 -13.835 9.735 0.342 1.00 0.44 H new ATOM 0 HD3 ARG A 75 -12.901 10.061 -1.105 1.00 0.44 H new ATOM 0 HE ARG A 75 -14.847 9.754 -2.454 1.00 1.24 H new ATOM 0 HH11 ARG A 75 -15.438 9.286 0.997 1.00 2.39 H new ATOM 0 HH12 ARG A 75 -17.192 9.425 0.834 1.00 2.39 H new ATOM 0 HH21 ARG A 75 -17.100 9.935 -2.654 1.00 2.93 H new ATOM 0 HH22 ARG A 75 -18.129 9.791 -1.225 1.00 2.93 H new ATOM 1154 N TYR A 76 -14.266 5.529 1.271 1.00 0.15 N ATOM 1155 CA TYR A 76 -14.776 4.168 1.159 1.00 0.14 C ATOM 1156 C TYR A 76 -15.003 3.790 -0.301 1.00 0.16 C ATOM 1157 O TYR A 76 -15.785 4.432 -1.004 1.00 0.31 O ATOM 1158 CB TYR A 76 -16.081 4.022 1.946 1.00 0.17 C ATOM 1159 CG TYR A 76 -15.960 4.428 3.398 1.00 0.17 C ATOM 1160 CD1 TYR A 76 -16.136 5.751 3.787 1.00 0.21 C ATOM 1161 CD2 TYR A 76 -15.670 3.488 4.379 1.00 0.20 C ATOM 1162 CE1 TYR A 76 -16.026 6.125 5.112 1.00 0.24 C ATOM 1163 CE2 TYR A 76 -15.559 3.855 5.707 1.00 0.24 C ATOM 1164 CZ TYR A 76 -15.738 5.175 6.068 1.00 0.25 C ATOM 1165 OH TYR A 76 -15.626 5.544 7.390 1.00 0.30 O ATOM 0 H TYR A 76 -14.964 6.255 1.111 1.00 0.15 H new ATOM 0 HA TYR A 76 -14.031 3.492 1.578 1.00 0.14 H new ATOM 0 HB2 TYR A 76 -16.852 4.628 1.471 1.00 0.17 H new ATOM 0 HB3 TYR A 76 -16.413 2.985 1.894 1.00 0.17 H new ATOM 0 HD1 TYR A 76 -16.362 6.498 3.041 1.00 0.21 H new ATOM 0 HD2 TYR A 76 -15.529 2.454 4.100 1.00 0.20 H new ATOM 0 HE1 TYR A 76 -16.165 7.157 5.398 1.00 0.24 H new ATOM 0 HE2 TYR A 76 -15.333 3.113 6.458 1.00 0.24 H new ATOM 0 HH TYR A 76 -15.421 4.755 7.934 1.00 0.30 H new ATOM 1175 N PHE A 77 -14.313 2.747 -0.751 1.00 0.11 N ATOM 1176 CA PHE A 77 -14.438 2.283 -2.128 1.00 0.11 C ATOM 1177 C PHE A 77 -15.229 0.981 -2.195 1.00 0.12 C ATOM 1178 O PHE A 77 -15.281 0.224 -1.226 1.00 0.18 O ATOM 1179 CB PHE A 77 -13.052 2.086 -2.747 1.00 0.12 C ATOM 1180 CG PHE A 77 -12.232 3.343 -2.793 1.00 0.13 C ATOM 1181 CD1 PHE A 77 -11.463 3.725 -1.706 1.00 0.18 C ATOM 1182 CD2 PHE A 77 -12.230 4.143 -3.924 1.00 0.18 C ATOM 1183 CE1 PHE A 77 -10.708 4.881 -1.744 1.00 0.23 C ATOM 1184 CE2 PHE A 77 -11.477 5.301 -3.969 1.00 0.23 C ATOM 1185 CZ PHE A 77 -10.715 5.671 -2.878 1.00 0.24 C ATOM 0 H PHE A 77 -13.661 2.207 -0.182 1.00 0.11 H new ATOM 0 HA PHE A 77 -14.978 3.042 -2.694 1.00 0.11 H new ATOM 0 HB2 PHE A 77 -12.512 1.330 -2.176 1.00 0.12 H new ATOM 0 HB3 PHE A 77 -13.167 1.699 -3.760 1.00 0.12 H new ATOM 0 HD1 PHE A 77 -11.454 3.111 -0.817 1.00 0.18 H new ATOM 0 HD2 PHE A 77 -12.824 3.859 -4.780 1.00 0.18 H new ATOM 0 HE1 PHE A 77 -10.113 5.167 -0.889 1.00 0.23 H new ATOM 0 HE2 PHE A 77 -11.484 5.916 -4.857 1.00 0.23 H new ATOM 0 HZ PHE A 77 -10.126 6.576 -2.911 1.00 0.24 H new ATOM 1195 N ARG A 78 -15.845 0.729 -3.347 1.00 0.11 N ATOM 1196 CA ARG A 78 -16.637 -0.480 -3.543 1.00 0.13 C ATOM 1197 C ARG A 78 -15.744 -1.661 -3.912 1.00 0.12 C ATOM 1198 O ARG A 78 -16.015 -2.799 -3.529 1.00 0.15 O ATOM 1199 CB ARG A 78 -17.684 -0.256 -4.636 1.00 0.18 C ATOM 1200 CG ARG A 78 -18.723 -1.362 -4.720 1.00 0.26 C ATOM 1201 CD ARG A 78 -20.099 -0.865 -4.309 1.00 0.48 C ATOM 1202 NE ARG A 78 -20.081 -0.235 -2.992 1.00 1.32 N ATOM 1203 CZ ARG A 78 -20.653 -0.762 -1.913 1.00 1.89 C ATOM 1204 NH1 ARG A 78 -21.282 -1.927 -1.996 1.00 2.12 N ATOM 1205 NH2 ARG A 78 -20.595 -0.127 -0.751 1.00 2.81 N ATOM 0 H ARG A 78 -15.810 1.346 -4.158 1.00 0.11 H new ATOM 0 HA ARG A 78 -17.143 -0.710 -2.606 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -18.189 0.693 -4.454 1.00 0.18 H new ATOM 0 HB3 ARG A 78 -17.179 -0.169 -5.598 1.00 0.18 H new ATOM 0 HG2 ARG A 78 -18.764 -1.748 -5.739 1.00 0.26 H new ATOM 0 HG3 ARG A 78 -18.427 -2.191 -4.077 1.00 0.26 H new ATOM 0 HD2 ARG A 78 -20.462 -0.151 -5.048 1.00 0.48 H new ATOM 0 HD3 ARG A 78 -20.799 -1.700 -4.302 1.00 0.48 H new ATOM 0 HE ARG A 78 -19.602 0.660 -2.894 1.00 1.32 H new ATOM 0 HH11 ARG A 78 -21.327 -2.420 -2.888 1.00 2.12 H new ATOM 0 HH12 ARG A 78 -21.720 -2.330 -1.168 1.00 2.12 H new ATOM 0 HH21 ARG A 78 -20.111 0.768 -0.683 1.00 2.81 H new ATOM 0 HH22 ARG A 78 -21.035 -0.533 0.075 1.00 2.81 H new ATOM 1219 N LYS A 79 -14.680 -1.381 -4.657 1.00 0.11 N ATOM 1220 CA LYS A 79 -13.745 -2.419 -5.079 1.00 0.12 C ATOM 1221 C LYS A 79 -12.317 -2.049 -4.692 1.00 0.11 C ATOM 1222 O LYS A 79 -11.957 -0.872 -4.665 1.00 0.11 O ATOM 1223 CB LYS A 79 -13.836 -2.634 -6.591 1.00 0.17 C ATOM 1224 CG LYS A 79 -15.262 -2.701 -7.112 1.00 0.16 C ATOM 1225 CD LYS A 79 -15.332 -3.404 -8.457 1.00 0.38 C ATOM 1226 CE LYS A 79 -15.908 -2.495 -9.531 1.00 1.00 C ATOM 1227 NZ LYS A 79 -17.333 -2.812 -9.822 1.00 1.85 N ATOM 0 H LYS A 79 -14.443 -0.443 -4.982 1.00 0.11 H new ATOM 0 HA LYS A 79 -14.014 -3.345 -4.572 1.00 0.12 H new ATOM 0 HB2 LYS A 79 -13.311 -1.824 -7.097 1.00 0.17 H new ATOM 0 HB3 LYS A 79 -13.320 -3.559 -6.850 1.00 0.17 H new ATOM 0 HG2 LYS A 79 -15.889 -3.227 -6.392 1.00 0.16 H new ATOM 0 HG3 LYS A 79 -15.664 -1.692 -7.206 1.00 0.16 H new ATOM 0 HD2 LYS A 79 -14.334 -3.730 -8.751 1.00 0.38 H new ATOM 0 HD3 LYS A 79 -15.947 -4.300 -8.369 1.00 0.38 H new ATOM 0 HE2 LYS A 79 -15.825 -1.457 -9.210 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -15.320 -2.594 -10.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -17.688 -2.170 -10.559 1.00 1.85 H new ATOM 0 HZ2 LYS A 79 -17.409 -3.795 -10.153 1.00 1.85 H new ATOM 0 HZ3 LYS A 79 -17.899 -2.693 -8.958 1.00 1.85 H new ATOM 1241 N ILE A 80 -11.507 -3.060 -4.393 1.00 0.12 N ATOM 1242 CA ILE A 80 -10.119 -2.836 -4.007 1.00 0.11 C ATOM 1243 C ILE A 80 -9.322 -2.230 -5.159 1.00 0.10 C ATOM 1244 O ILE A 80 -8.433 -1.405 -4.943 1.00 0.11 O ATOM 1245 CB ILE A 80 -9.441 -4.144 -3.546 1.00 0.13 C ATOM 1246 CG1 ILE A 80 -8.002 -3.875 -3.097 1.00 0.14 C ATOM 1247 CG2 ILE A 80 -9.470 -5.181 -4.659 1.00 0.15 C ATOM 1248 CD1 ILE A 80 -7.908 -3.035 -1.842 1.00 0.15 C ATOM 0 H ILE A 80 -11.788 -4.040 -4.411 1.00 0.12 H new ATOM 0 HA ILE A 80 -10.130 -2.136 -3.171 1.00 0.11 H new ATOM 0 HB ILE A 80 -9.997 -4.538 -2.695 1.00 0.13 H new ATOM 0 HG12 ILE A 80 -7.499 -4.827 -2.926 1.00 0.14 H new ATOM 0 HG13 ILE A 80 -7.467 -3.372 -3.902 1.00 0.14 H new ATOM 0 HG21 ILE A 80 -8.988 -6.096 -4.316 1.00 0.15 H new ATOM 0 HG22 ILE A 80 -10.504 -5.395 -4.930 1.00 0.15 H new ATOM 0 HG23 ILE A 80 -8.939 -4.795 -5.529 1.00 0.15 H new ATOM 0 HD11 ILE A 80 -6.860 -2.884 -1.583 1.00 0.15 H new ATOM 0 HD12 ILE A 80 -8.382 -2.069 -2.015 1.00 0.15 H new ATOM 0 HD13 ILE A 80 -8.415 -3.546 -1.023 1.00 0.15 H new ATOM 1260 N LYS A 81 -9.651 -2.636 -6.382 1.00 0.11 N ATOM 1261 CA LYS A 81 -8.968 -2.126 -7.564 1.00 0.12 C ATOM 1262 C LYS A 81 -9.226 -0.632 -7.726 1.00 0.11 C ATOM 1263 O LYS A 81 -8.390 0.101 -8.255 1.00 0.14 O ATOM 1264 CB LYS A 81 -9.433 -2.876 -8.814 1.00 0.15 C ATOM 1265 CG LYS A 81 -8.621 -2.551 -10.058 1.00 0.19 C ATOM 1266 CD LYS A 81 -7.368 -3.407 -10.146 1.00 0.28 C ATOM 1267 CE LYS A 81 -6.127 -2.620 -9.759 1.00 0.38 C ATOM 1268 NZ LYS A 81 -5.590 -1.833 -10.904 1.00 0.90 N ATOM 0 H LYS A 81 -10.385 -3.316 -6.579 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.897 -2.285 -7.437 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -9.379 -3.948 -8.625 1.00 0.15 H new ATOM 0 HB3 LYS A 81 -10.480 -2.638 -9.002 1.00 0.15 H new ATOM 0 HG2 LYS A 81 -9.234 -2.709 -10.945 1.00 0.19 H new ATOM 0 HG3 LYS A 81 -8.343 -1.497 -10.047 1.00 0.19 H new ATOM 0 HD2 LYS A 81 -7.470 -4.272 -9.491 1.00 0.28 H new ATOM 0 HD3 LYS A 81 -7.257 -3.788 -11.161 1.00 0.28 H new ATOM 0 HE2 LYS A 81 -6.366 -1.947 -8.936 1.00 0.38 H new ATOM 0 HE3 LYS A 81 -5.360 -3.305 -9.398 1.00 0.38 H new ATOM 0 HZ1 LYS A 81 -4.744 -1.310 -10.600 1.00 0.90 H new ATOM 0 HZ2 LYS A 81 -5.338 -2.477 -11.680 1.00 0.90 H new ATOM 0 HZ3 LYS A 81 -6.313 -1.161 -11.233 1.00 0.90 H new ATOM 1282 N ASN A 82 -10.390 -0.187 -7.258 1.00 0.12 N ATOM 1283 CA ASN A 82 -10.762 1.219 -7.341 1.00 0.13 C ATOM 1284 C ASN A 82 -9.903 2.059 -6.404 1.00 0.12 C ATOM 1285 O ASN A 82 -9.672 3.243 -6.649 1.00 0.14 O ATOM 1286 CB ASN A 82 -12.242 1.395 -6.997 1.00 0.16 C ATOM 1287 CG ASN A 82 -13.155 0.946 -8.122 1.00 0.20 C ATOM 1288 OD1 ASN A 82 -12.696 0.594 -9.208 1.00 0.53 O ATOM 1289 ND2 ASN A 82 -14.459 0.955 -7.866 1.00 0.57 N ATOM 0 H ASN A 82 -11.091 -0.782 -6.817 1.00 0.12 H new ATOM 0 HA ASN A 82 -10.593 1.559 -8.363 1.00 0.13 H new ATOM 0 HB2 ASN A 82 -12.473 0.826 -6.096 1.00 0.16 H new ATOM 0 HB3 ASN A 82 -12.437 2.443 -6.771 1.00 0.16 H new ATOM 0 HD21 ASN A 82 -15.122 0.662 -8.584 1.00 0.57 H new ATOM 0 HD22 ASN A 82 -14.797 1.254 -6.951 1.00 0.57 H new ATOM 1296 N LEU A 83 -9.430 1.435 -5.329 1.00 0.10 N ATOM 1297 CA LEU A 83 -8.591 2.119 -4.353 1.00 0.10 C ATOM 1298 C LEU A 83 -7.261 2.526 -4.977 1.00 0.10 C ATOM 1299 O LEU A 83 -6.859 3.688 -4.908 1.00 0.12 O ATOM 1300 CB LEU A 83 -8.344 1.216 -3.143 1.00 0.11 C ATOM 1301 CG LEU A 83 -7.948 1.949 -1.861 1.00 0.13 C ATOM 1302 CD1 LEU A 83 -8.571 1.275 -0.650 1.00 0.14 C ATOM 1303 CD2 LEU A 83 -6.434 2.001 -1.723 1.00 0.17 C ATOM 0 H LEU A 83 -9.614 0.455 -5.113 1.00 0.10 H new ATOM 0 HA LEU A 83 -9.111 3.019 -4.026 1.00 0.10 H new ATOM 0 HB2 LEU A 83 -9.248 0.638 -2.949 1.00 0.11 H new ATOM 0 HB3 LEU A 83 -7.558 0.504 -3.394 1.00 0.11 H new ATOM 0 HG LEU A 83 -8.323 2.971 -1.918 1.00 0.13 H new ATOM 0 HD11 LEU A 83 -8.279 1.809 0.254 1.00 0.14 H new ATOM 0 HD12 LEU A 83 -9.657 1.288 -0.745 1.00 0.14 H new ATOM 0 HD13 LEU A 83 -8.225 0.243 -0.590 1.00 0.14 H new ATOM 0 HD21 LEU A 83 -6.170 2.526 -0.805 1.00 0.17 H new ATOM 0 HD22 LEU A 83 -6.037 0.987 -1.688 1.00 0.17 H new ATOM 0 HD23 LEU A 83 -6.009 2.528 -2.577 1.00 0.17 H new ATOM 1315 N ILE A 84 -6.586 1.558 -5.587 1.00 0.09 N ATOM 1316 CA ILE A 84 -5.299 1.801 -6.229 1.00 0.10 C ATOM 1317 C ILE A 84 -5.425 2.838 -7.341 1.00 0.11 C ATOM 1318 O ILE A 84 -4.523 3.647 -7.554 1.00 0.14 O ATOM 1319 CB ILE A 84 -4.718 0.499 -6.817 1.00 0.12 C ATOM 1320 CG1 ILE A 84 -4.608 -0.570 -5.729 1.00 0.14 C ATOM 1321 CG2 ILE A 84 -3.361 0.760 -7.456 1.00 0.17 C ATOM 1322 CD1 ILE A 84 -4.262 -1.946 -6.258 1.00 0.16 C ATOM 0 H ILE A 84 -6.911 0.593 -5.651 1.00 0.09 H new ATOM 0 HA ILE A 84 -4.625 2.181 -5.461 1.00 0.10 H new ATOM 0 HB ILE A 84 -5.393 0.135 -7.591 1.00 0.12 H new ATOM 0 HG12 ILE A 84 -3.848 -0.266 -5.009 1.00 0.14 H new ATOM 0 HG13 ILE A 84 -5.554 -0.625 -5.190 1.00 0.14 H new ATOM 0 HG21 ILE A 84 -2.967 -0.170 -7.865 1.00 0.17 H new ATOM 0 HG22 ILE A 84 -3.471 1.491 -8.257 1.00 0.17 H new ATOM 0 HG23 ILE A 84 -2.673 1.146 -6.704 1.00 0.17 H new ATOM 0 HD11 ILE A 84 -4.201 -2.650 -5.428 1.00 0.16 H new ATOM 0 HD12 ILE A 84 -5.034 -2.272 -6.955 1.00 0.16 H new ATOM 0 HD13 ILE A 84 -3.301 -1.907 -6.772 1.00 0.16 H new ATOM 1334 N SER A 85 -6.550 2.803 -8.050 1.00 0.11 N ATOM 1335 CA SER A 85 -6.795 3.735 -9.146 1.00 0.13 C ATOM 1336 C SER A 85 -6.943 5.166 -8.635 1.00 0.12 C ATOM 1337 O SER A 85 -6.545 6.117 -9.308 1.00 0.16 O ATOM 1338 CB SER A 85 -8.052 3.323 -9.916 1.00 0.15 C ATOM 1339 OG SER A 85 -9.221 3.820 -9.287 1.00 0.92 O ATOM 0 H SER A 85 -7.306 2.139 -7.885 1.00 0.11 H new ATOM 0 HA SER A 85 -5.934 3.701 -9.814 1.00 0.13 H new ATOM 0 HB2 SER A 85 -7.997 3.700 -10.937 1.00 0.15 H new ATOM 0 HB3 SER A 85 -8.103 2.236 -9.980 1.00 0.15 H new ATOM 0 HG SER A 85 -9.223 3.555 -8.343 1.00 0.92 H new ATOM 1345 N ALA A 86 -7.520 5.312 -7.447 1.00 0.10 N ATOM 1346 CA ALA A 86 -7.723 6.629 -6.851 1.00 0.11 C ATOM 1347 C ALA A 86 -6.415 7.211 -6.325 1.00 0.10 C ATOM 1348 O ALA A 86 -6.257 8.429 -6.245 1.00 0.13 O ATOM 1349 CB ALA A 86 -8.751 6.548 -5.733 1.00 0.13 C ATOM 0 H ALA A 86 -7.856 4.535 -6.877 1.00 0.10 H new ATOM 0 HA ALA A 86 -8.095 7.295 -7.630 1.00 0.11 H new ATOM 0 HB1 ALA A 86 -8.893 7.537 -5.297 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -9.698 6.189 -6.135 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -8.399 5.860 -4.964 1.00 0.13 H new ATOM 1355 N PHE A 87 -5.482 6.336 -5.965 1.00 0.09 N ATOM 1356 CA PHE A 87 -4.190 6.766 -5.444 1.00 0.09 C ATOM 1357 C PHE A 87 -3.215 7.068 -6.580 1.00 0.09 C ATOM 1358 O PHE A 87 -2.032 7.314 -6.345 1.00 0.12 O ATOM 1359 CB PHE A 87 -3.602 5.695 -4.521 1.00 0.10 C ATOM 1360 CG PHE A 87 -4.194 5.688 -3.135 1.00 0.12 C ATOM 1361 CD1 PHE A 87 -5.559 5.845 -2.939 1.00 0.16 C ATOM 1362 CD2 PHE A 87 -3.379 5.524 -2.027 1.00 0.16 C ATOM 1363 CE1 PHE A 87 -6.095 5.838 -1.665 1.00 0.18 C ATOM 1364 CE2 PHE A 87 -3.910 5.515 -0.751 1.00 0.18 C ATOM 1365 CZ PHE A 87 -5.270 5.673 -0.570 1.00 0.17 C ATOM 0 H PHE A 87 -5.597 5.324 -6.025 1.00 0.09 H new ATOM 0 HA PHE A 87 -4.346 7.680 -4.872 1.00 0.09 H new ATOM 0 HB2 PHE A 87 -3.754 4.716 -4.975 1.00 0.10 H new ATOM 0 HB3 PHE A 87 -2.525 5.847 -4.444 1.00 0.10 H new ATOM 0 HD1 PHE A 87 -6.210 5.974 -3.791 1.00 0.16 H new ATOM 0 HD2 PHE A 87 -2.314 5.402 -2.162 1.00 0.16 H new ATOM 0 HE1 PHE A 87 -7.159 5.962 -1.526 1.00 0.18 H new ATOM 0 HE2 PHE A 87 -3.262 5.385 0.103 1.00 0.18 H new ATOM 0 HZ PHE A 87 -5.687 5.668 0.426 1.00 0.17 H new ATOM 1375 N GLN A 88 -3.718 7.053 -7.811 1.00 0.10 N ATOM 1376 CA GLN A 88 -2.889 7.331 -8.980 1.00 0.11 C ATOM 1377 C GLN A 88 -2.944 8.810 -9.344 1.00 0.11 C ATOM 1378 O GLN A 88 -2.631 9.196 -10.470 1.00 0.15 O ATOM 1379 CB GLN A 88 -3.343 6.484 -10.172 1.00 0.13 C ATOM 1380 CG GLN A 88 -3.085 4.998 -9.997 1.00 0.13 C ATOM 1381 CD GLN A 88 -3.576 4.179 -11.175 1.00 0.19 C ATOM 1382 OE1 GLN A 88 -4.749 4.240 -11.542 1.00 0.40 O ATOM 1383 NE2 GLN A 88 -2.678 3.405 -11.773 1.00 0.16 N ATOM 0 H GLN A 88 -4.695 6.851 -8.025 1.00 0.10 H new ATOM 0 HA GLN A 88 -1.860 7.072 -8.732 1.00 0.11 H new ATOM 0 HB2 GLN A 88 -4.409 6.642 -10.334 1.00 0.13 H new ATOM 0 HB3 GLN A 88 -2.830 6.830 -11.069 1.00 0.13 H new ATOM 0 HG2 GLN A 88 -2.016 4.832 -9.864 1.00 0.13 H new ATOM 0 HG3 GLN A 88 -3.577 4.652 -9.088 1.00 0.13 H new ATOM 0 HE21 GLN A 88 -1.716 3.385 -11.435 1.00 0.16 H new ATOM 0 HE22 GLN A 88 -2.950 2.830 -12.570 1.00 0.16 H new ATOM 1392 N LYS A 89 -3.350 9.632 -8.384 1.00 0.10 N ATOM 1393 CA LYS A 89 -3.452 11.069 -8.598 1.00 0.10 C ATOM 1394 C LYS A 89 -3.121 11.836 -7.319 1.00 0.09 C ATOM 1395 O LYS A 89 -3.273 11.311 -6.216 1.00 0.10 O ATOM 1396 CB LYS A 89 -4.859 11.424 -9.076 1.00 0.13 C ATOM 1397 CG LYS A 89 -5.963 10.830 -8.215 1.00 0.13 C ATOM 1398 CD LYS A 89 -7.065 11.841 -7.943 1.00 0.17 C ATOM 1399 CE LYS A 89 -7.945 12.053 -9.165 1.00 0.28 C ATOM 1400 NZ LYS A 89 -9.393 11.994 -8.825 1.00 1.17 N ATOM 0 H LYS A 89 -3.614 9.326 -7.448 1.00 0.10 H new ATOM 0 HA LYS A 89 -2.730 11.356 -9.362 1.00 0.10 H new ATOM 0 HB2 LYS A 89 -4.966 12.509 -9.091 1.00 0.13 H new ATOM 0 HB3 LYS A 89 -4.983 11.077 -10.102 1.00 0.13 H new ATOM 0 HG2 LYS A 89 -6.384 9.957 -8.714 1.00 0.13 H new ATOM 0 HG3 LYS A 89 -5.543 10.486 -7.270 1.00 0.13 H new ATOM 0 HD2 LYS A 89 -7.677 11.498 -7.109 1.00 0.17 H new ATOM 0 HD3 LYS A 89 -6.622 12.791 -7.644 1.00 0.17 H new ATOM 0 HE2 LYS A 89 -7.717 13.020 -9.613 1.00 0.28 H new ATOM 0 HE3 LYS A 89 -7.717 11.293 -9.913 1.00 0.28 H new ATOM 0 HZ1 LYS A 89 -9.958 12.143 -9.685 1.00 1.17 H new ATOM 0 HZ2 LYS A 89 -9.617 11.062 -8.421 1.00 1.17 H new ATOM 0 HZ3 LYS A 89 -9.617 12.735 -8.131 1.00 1.17 H new ATOM 1414 N PRO A 90 -2.661 13.096 -7.449 1.00 0.10 N ATOM 1415 CA PRO A 90 -2.309 13.930 -6.294 1.00 0.12 C ATOM 1416 C PRO A 90 -3.508 14.213 -5.398 1.00 0.13 C ATOM 1417 O PRO A 90 -4.651 13.943 -5.772 1.00 0.16 O ATOM 1418 CB PRO A 90 -1.793 15.229 -6.925 1.00 0.14 C ATOM 1419 CG PRO A 90 -2.359 15.242 -8.302 1.00 0.14 C ATOM 1420 CD PRO A 90 -2.449 13.804 -8.723 1.00 0.12 C ATOM 0 HA PRO A 90 -1.580 13.439 -5.649 1.00 0.12 H new ATOM 0 HB2 PRO A 90 -2.119 16.100 -6.357 1.00 0.14 H new ATOM 0 HB3 PRO A 90 -0.703 15.251 -6.946 1.00 0.14 H new ATOM 0 HG2 PRO A 90 -3.341 15.715 -8.316 1.00 0.14 H new ATOM 0 HG3 PRO A 90 -1.722 15.809 -8.981 1.00 0.14 H new ATOM 0 HD2 PRO A 90 -3.272 13.638 -9.418 1.00 0.12 H new ATOM 0 HD3 PRO A 90 -1.538 13.472 -9.222 1.00 0.12 H new ATOM 1428 N ASP A 91 -3.239 14.755 -4.214 1.00 0.16 N ATOM 1429 CA ASP A 91 -4.292 15.075 -3.257 1.00 0.19 C ATOM 1430 C ASP A 91 -5.105 13.832 -2.907 1.00 0.18 C ATOM 1431 O ASP A 91 -6.246 13.678 -3.346 1.00 0.20 O ATOM 1432 CB ASP A 91 -5.212 16.162 -3.819 1.00 0.24 C ATOM 1433 CG ASP A 91 -6.109 16.772 -2.760 1.00 0.32 C ATOM 1434 OD1 ASP A 91 -6.029 16.341 -1.590 1.00 0.69 O ATOM 1435 OD2 ASP A 91 -6.892 17.684 -3.100 1.00 0.80 O ATOM 0 H ASP A 91 -2.298 14.982 -3.894 1.00 0.16 H new ATOM 0 HA ASP A 91 -3.820 15.446 -2.347 1.00 0.19 H new ATOM 0 HB2 ASP A 91 -4.606 16.947 -4.273 1.00 0.24 H new ATOM 0 HB3 ASP A 91 -5.828 15.737 -4.611 1.00 0.24 H new ATOM 1440 N GLN A 92 -4.510 12.946 -2.114 1.00 0.15 N ATOM 1441 CA GLN A 92 -5.178 11.716 -1.705 1.00 0.15 C ATOM 1442 C GLN A 92 -4.801 11.341 -0.275 1.00 0.16 C ATOM 1443 O GLN A 92 -5.096 10.238 0.186 1.00 0.22 O ATOM 1444 CB GLN A 92 -4.817 10.573 -2.656 1.00 0.14 C ATOM 1445 CG GLN A 92 -5.546 10.639 -3.988 1.00 0.16 C ATOM 1446 CD GLN A 92 -7.041 10.440 -3.844 1.00 0.30 C ATOM 1447 OE1 GLN A 92 -7.495 9.540 -3.137 1.00 0.45 O ATOM 1448 NE2 GLN A 92 -7.818 11.281 -4.518 1.00 0.40 N ATOM 0 H GLN A 92 -3.567 13.057 -1.742 1.00 0.15 H new ATOM 0 HA GLN A 92 -6.254 11.887 -1.745 1.00 0.15 H new ATOM 0 HB2 GLN A 92 -3.742 10.588 -2.838 1.00 0.14 H new ATOM 0 HB3 GLN A 92 -5.045 9.623 -2.173 1.00 0.14 H new ATOM 0 HG2 GLN A 92 -5.355 11.605 -4.455 1.00 0.16 H new ATOM 0 HG3 GLN A 92 -5.144 9.877 -4.656 1.00 0.16 H new ATOM 0 HE21 GLN A 92 -7.400 12.013 -5.092 1.00 0.40 H new ATOM 0 HE22 GLN A 92 -8.833 11.195 -4.461 1.00 0.40 H new ATOM 1457 N GLY A 93 -4.149 12.267 0.421 1.00 0.14 N ATOM 1458 CA GLY A 93 -3.742 12.017 1.791 1.00 0.14 C ATOM 1459 C GLY A 93 -2.633 10.988 1.890 1.00 0.13 C ATOM 1460 O GLY A 93 -2.721 10.047 2.679 1.00 0.14 O ATOM 0 H GLY A 93 -3.895 13.187 0.060 1.00 0.14 H new ATOM 0 HA2 GLY A 93 -3.408 12.951 2.243 1.00 0.14 H new ATOM 0 HA3 GLY A 93 -4.603 11.675 2.365 1.00 0.14 H new ATOM 1464 N ILE A 94 -1.588 11.169 1.090 1.00 0.10 N ATOM 1465 CA ILE A 94 -0.455 10.253 1.088 1.00 0.10 C ATOM 1466 C ILE A 94 0.846 10.997 0.813 1.00 0.09 C ATOM 1467 O ILE A 94 0.832 12.167 0.428 1.00 0.14 O ATOM 1468 CB ILE A 94 -0.630 9.134 0.042 1.00 0.10 C ATOM 1469 CG1 ILE A 94 -1.306 9.680 -1.217 1.00 0.12 C ATOM 1470 CG2 ILE A 94 -1.437 7.985 0.629 1.00 0.16 C ATOM 1471 CD1 ILE A 94 -1.197 8.756 -2.411 1.00 0.13 C ATOM 0 H ILE A 94 -1.503 11.944 0.433 1.00 0.10 H new ATOM 0 HA ILE A 94 -0.412 9.801 2.079 1.00 0.10 H new ATOM 0 HB ILE A 94 0.355 8.758 -0.235 1.00 0.10 H new ATOM 0 HG12 ILE A 94 -2.359 9.862 -1.004 1.00 0.12 H new ATOM 0 HG13 ILE A 94 -0.861 10.642 -1.470 1.00 0.12 H new ATOM 0 HG21 ILE A 94 -1.553 7.202 -0.120 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -0.917 7.582 1.498 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.420 8.347 0.930 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -1.698 9.207 -3.267 1.00 0.13 H new ATOM 0 HD12 ILE A 94 -0.146 8.593 -2.650 1.00 0.13 H new ATOM 0 HD13 ILE A 94 -1.668 7.801 -2.176 1.00 0.13 H new ATOM 1483 N VAL A 95 1.970 10.316 1.017 1.00 0.06 N ATOM 1484 CA VAL A 95 3.278 10.921 0.795 1.00 0.06 C ATOM 1485 C VAL A 95 3.515 11.198 -0.688 1.00 0.06 C ATOM 1486 O VAL A 95 4.127 12.203 -1.050 1.00 0.08 O ATOM 1487 CB VAL A 95 4.412 10.027 1.338 1.00 0.07 C ATOM 1488 CG1 VAL A 95 4.496 8.723 0.561 1.00 0.08 C ATOM 1489 CG2 VAL A 95 5.740 10.769 1.299 1.00 0.08 C ATOM 0 H VAL A 95 2.001 9.347 1.335 1.00 0.06 H new ATOM 0 HA VAL A 95 3.286 11.866 1.338 1.00 0.06 H new ATOM 0 HB VAL A 95 4.187 9.782 2.376 1.00 0.07 H new ATOM 0 HG11 VAL A 95 5.303 8.111 0.964 1.00 0.08 H new ATOM 0 HG12 VAL A 95 3.553 8.184 0.651 1.00 0.08 H new ATOM 0 HG13 VAL A 95 4.692 8.937 -0.489 1.00 0.08 H new ATOM 0 HG21 VAL A 95 6.529 10.124 1.686 1.00 0.08 H new ATOM 0 HG22 VAL A 95 5.971 11.048 0.271 1.00 0.08 H new ATOM 0 HG23 VAL A 95 5.673 11.667 1.913 1.00 0.08 H new ATOM 1499 N ILE A 96 3.024 10.303 -1.540 1.00 0.05 N ATOM 1500 CA ILE A 96 3.179 10.454 -2.983 1.00 0.06 C ATOM 1501 C ILE A 96 2.242 9.509 -3.736 1.00 0.05 C ATOM 1502 O ILE A 96 2.115 8.336 -3.384 1.00 0.05 O ATOM 1503 CB ILE A 96 4.637 10.193 -3.425 1.00 0.07 C ATOM 1504 CG1 ILE A 96 4.837 10.618 -4.881 1.00 0.10 C ATOM 1505 CG2 ILE A 96 5.002 8.727 -3.245 1.00 0.08 C ATOM 1506 CD1 ILE A 96 6.255 11.040 -5.199 1.00 0.14 C ATOM 0 H ILE A 96 2.515 9.466 -1.256 1.00 0.05 H new ATOM 0 HA ILE A 96 2.920 11.484 -3.227 1.00 0.06 H new ATOM 0 HB ILE A 96 5.297 10.789 -2.794 1.00 0.07 H new ATOM 0 HG12 ILE A 96 4.558 9.791 -5.534 1.00 0.10 H new ATOM 0 HG13 ILE A 96 4.162 11.444 -5.106 1.00 0.10 H new ATOM 0 HG21 ILE A 96 6.032 8.567 -3.562 1.00 0.08 H new ATOM 0 HG22 ILE A 96 4.899 8.453 -2.195 1.00 0.08 H new ATOM 0 HG23 ILE A 96 4.336 8.110 -3.848 1.00 0.08 H new ATOM 0 HD11 ILE A 96 6.322 11.328 -6.248 1.00 0.14 H new ATOM 0 HD12 ILE A 96 6.532 11.887 -4.572 1.00 0.14 H new ATOM 0 HD13 ILE A 96 6.934 10.209 -5.006 1.00 0.14 H new ATOM 1518 N PRO A 97 1.565 10.011 -4.784 1.00 0.06 N ATOM 1519 CA PRO A 97 0.635 9.205 -5.581 1.00 0.06 C ATOM 1520 C PRO A 97 1.347 8.093 -6.341 1.00 0.06 C ATOM 1521 O PRO A 97 2.436 8.295 -6.880 1.00 0.08 O ATOM 1522 CB PRO A 97 0.015 10.213 -6.560 1.00 0.07 C ATOM 1523 CG PRO A 97 0.337 11.557 -5.999 1.00 0.08 C ATOM 1524 CD PRO A 97 1.640 11.395 -5.275 1.00 0.07 C ATOM 0 HA PRO A 97 -0.102 8.702 -4.955 1.00 0.06 H new ATOM 0 HB2 PRO A 97 0.430 10.095 -7.561 1.00 0.07 H new ATOM 0 HB3 PRO A 97 -1.062 10.069 -6.643 1.00 0.07 H new ATOM 0 HG2 PRO A 97 0.419 12.302 -6.791 1.00 0.08 H new ATOM 0 HG3 PRO A 97 -0.447 11.896 -5.322 1.00 0.08 H new ATOM 0 HD2 PRO A 97 2.493 11.544 -5.937 1.00 0.07 H new ATOM 0 HD3 PRO A 97 1.741 12.110 -4.458 1.00 0.07 H new ATOM 1532 N LEU A 98 0.723 6.920 -6.378 1.00 0.06 N ATOM 1533 CA LEU A 98 1.284 5.763 -7.069 1.00 0.07 C ATOM 1534 C LEU A 98 1.723 6.131 -8.483 1.00 0.07 C ATOM 1535 O LEU A 98 1.116 6.990 -9.123 1.00 0.10 O ATOM 1536 CB LEU A 98 0.251 4.639 -7.118 1.00 0.08 C ATOM 1537 CG LEU A 98 -0.511 4.398 -5.813 1.00 0.09 C ATOM 1538 CD1 LEU A 98 -1.533 3.287 -5.991 1.00 0.13 C ATOM 1539 CD2 LEU A 98 0.450 4.061 -4.680 1.00 0.10 C ATOM 0 H LEU A 98 -0.178 6.745 -5.934 1.00 0.06 H new ATOM 0 HA LEU A 98 2.161 5.425 -6.518 1.00 0.07 H new ATOM 0 HB2 LEU A 98 -0.469 4.863 -7.905 1.00 0.08 H new ATOM 0 HB3 LEU A 98 0.756 3.715 -7.401 1.00 0.08 H new ATOM 0 HG LEU A 98 -1.038 5.316 -5.552 1.00 0.09 H new ATOM 0 HD11 LEU A 98 -2.066 3.129 -5.053 1.00 0.13 H new ATOM 0 HD12 LEU A 98 -2.243 3.567 -6.769 1.00 0.13 H new ATOM 0 HD13 LEU A 98 -1.024 2.367 -6.279 1.00 0.13 H new ATOM 0 HD21 LEU A 98 -0.114 3.894 -3.762 1.00 0.10 H new ATOM 0 HD22 LEU A 98 1.008 3.159 -4.932 1.00 0.10 H new ATOM 0 HD23 LEU A 98 1.144 4.888 -4.534 1.00 0.10 H new ATOM 1551 N GLN A 99 2.784 5.484 -8.965 1.00 0.08 N ATOM 1552 CA GLN A 99 3.297 5.765 -10.303 1.00 0.09 C ATOM 1553 C GLN A 99 4.011 4.556 -10.912 1.00 0.09 C ATOM 1554 O GLN A 99 4.155 4.473 -12.132 1.00 0.16 O ATOM 1555 CB GLN A 99 4.259 6.954 -10.259 1.00 0.10 C ATOM 1556 CG GLN A 99 3.563 8.305 -10.215 1.00 0.16 C ATOM 1557 CD GLN A 99 4.518 9.460 -10.441 1.00 0.19 C ATOM 1558 OE1 GLN A 99 4.772 9.858 -11.578 1.00 0.29 O ATOM 1559 NE2 GLN A 99 5.055 10.004 -9.356 1.00 0.18 N ATOM 0 H GLN A 99 3.300 4.768 -8.453 1.00 0.08 H new ATOM 0 HA GLN A 99 2.440 6.002 -10.933 1.00 0.09 H new ATOM 0 HB2 GLN A 99 4.901 6.858 -9.383 1.00 0.10 H new ATOM 0 HB3 GLN A 99 4.907 6.918 -11.135 1.00 0.10 H new ATOM 0 HG2 GLN A 99 2.781 8.331 -10.974 1.00 0.16 H new ATOM 0 HG3 GLN A 99 3.074 8.426 -9.248 1.00 0.16 H new ATOM 0 HE21 GLN A 99 4.816 9.642 -8.433 1.00 0.18 H new ATOM 0 HE22 GLN A 99 5.706 10.784 -9.446 1.00 0.18 H new ATOM 1568 N TYR A 100 4.474 3.632 -10.071 1.00 0.06 N ATOM 1569 CA TYR A 100 5.187 2.456 -10.569 1.00 0.06 C ATOM 1570 C TYR A 100 4.726 1.162 -9.893 1.00 0.06 C ATOM 1571 O TYR A 100 5.352 0.680 -8.950 1.00 0.06 O ATOM 1572 CB TYR A 100 6.693 2.636 -10.376 1.00 0.07 C ATOM 1573 CG TYR A 100 7.381 3.294 -11.549 1.00 0.10 C ATOM 1574 CD1 TYR A 100 7.462 4.678 -11.645 1.00 0.18 C ATOM 1575 CD2 TYR A 100 7.949 2.533 -12.562 1.00 0.17 C ATOM 1576 CE1 TYR A 100 8.090 5.283 -12.716 1.00 0.22 C ATOM 1577 CE2 TYR A 100 8.579 3.130 -13.636 1.00 0.22 C ATOM 1578 CZ TYR A 100 8.646 4.505 -13.709 1.00 0.22 C ATOM 1579 OH TYR A 100 9.272 5.105 -14.778 1.00 0.29 O ATOM 0 H TYR A 100 4.371 3.672 -9.057 1.00 0.06 H new ATOM 0 HA TYR A 100 4.957 2.367 -11.631 1.00 0.06 H new ATOM 0 HB2 TYR A 100 6.867 3.234 -9.482 1.00 0.07 H new ATOM 0 HB3 TYR A 100 7.147 1.661 -10.200 1.00 0.07 H new ATOM 0 HD1 TYR A 100 7.027 5.291 -10.869 1.00 0.18 H new ATOM 0 HD2 TYR A 100 7.897 1.456 -12.509 1.00 0.17 H new ATOM 0 HE1 TYR A 100 8.145 6.360 -12.775 1.00 0.22 H new ATOM 0 HE2 TYR A 100 9.017 2.523 -14.415 1.00 0.22 H new ATOM 0 HH TYR A 100 9.611 4.416 -15.387 1.00 0.29 H new ATOM 1589 N PRO A 101 3.639 0.559 -10.391 1.00 0.06 N ATOM 1590 CA PRO A 101 3.110 -0.703 -9.854 1.00 0.07 C ATOM 1591 C PRO A 101 4.164 -1.800 -9.812 1.00 0.08 C ATOM 1592 O PRO A 101 4.722 -2.185 -10.840 1.00 0.12 O ATOM 1593 CB PRO A 101 2.002 -1.076 -10.843 1.00 0.10 C ATOM 1594 CG PRO A 101 2.303 -0.266 -12.052 1.00 0.10 C ATOM 1595 CD PRO A 101 2.847 1.023 -11.534 1.00 0.08 C ATOM 0 HA PRO A 101 2.766 -0.592 -8.826 1.00 0.07 H new ATOM 0 HB2 PRO A 101 2.010 -2.143 -11.066 1.00 0.10 H new ATOM 0 HB3 PRO A 101 1.016 -0.842 -10.443 1.00 0.10 H new ATOM 0 HG2 PRO A 101 3.027 -0.769 -12.693 1.00 0.10 H new ATOM 0 HG3 PRO A 101 1.406 -0.103 -12.650 1.00 0.10 H new ATOM 0 HD2 PRO A 101 3.457 1.539 -12.275 1.00 0.08 H new ATOM 0 HD3 PRO A 101 2.057 1.712 -11.235 1.00 0.08 H new ATOM 1603 N VAL A 102 4.424 -2.302 -8.614 1.00 0.07 N ATOM 1604 CA VAL A 102 5.405 -3.364 -8.422 1.00 0.07 C ATOM 1605 C VAL A 102 4.760 -4.730 -8.635 1.00 0.09 C ATOM 1606 O VAL A 102 4.404 -5.419 -7.678 1.00 0.10 O ATOM 1607 CB VAL A 102 6.033 -3.310 -7.013 1.00 0.08 C ATOM 1608 CG1 VAL A 102 7.105 -4.379 -6.859 1.00 0.10 C ATOM 1609 CG2 VAL A 102 6.611 -1.929 -6.734 1.00 0.10 C ATOM 0 H VAL A 102 3.968 -1.991 -7.756 1.00 0.07 H new ATOM 0 HA VAL A 102 6.195 -3.212 -9.158 1.00 0.07 H new ATOM 0 HB VAL A 102 5.247 -3.507 -6.284 1.00 0.08 H new ATOM 0 HG11 VAL A 102 7.534 -4.323 -5.859 1.00 0.10 H new ATOM 0 HG12 VAL A 102 6.661 -5.363 -7.009 1.00 0.10 H new ATOM 0 HG13 VAL A 102 7.889 -4.218 -7.599 1.00 0.10 H new ATOM 0 HG21 VAL A 102 7.049 -1.913 -5.736 1.00 0.10 H new ATOM 0 HG22 VAL A 102 7.381 -1.701 -7.471 1.00 0.10 H new ATOM 0 HG23 VAL A 102 5.818 -1.184 -6.795 1.00 0.10 H new ATOM 1619 N GLU A 103 4.603 -5.109 -9.901 1.00 0.11 N ATOM 1620 CA GLU A 103 3.991 -6.385 -10.251 1.00 0.14 C ATOM 1621 C GLU A 103 4.703 -7.546 -9.568 1.00 0.15 C ATOM 1622 O GLU A 103 5.913 -7.499 -9.339 1.00 0.21 O ATOM 1623 CB GLU A 103 4.010 -6.582 -11.767 1.00 0.20 C ATOM 1624 CG GLU A 103 2.832 -5.934 -12.477 1.00 0.71 C ATOM 1625 CD GLU A 103 3.147 -5.570 -13.913 1.00 1.01 C ATOM 1626 OE1 GLU A 103 4.140 -4.847 -14.139 1.00 1.59 O ATOM 1627 OE2 GLU A 103 2.401 -6.009 -14.814 1.00 1.43 O ATOM 0 H GLU A 103 4.892 -4.548 -10.702 1.00 0.11 H new ATOM 0 HA GLU A 103 2.958 -6.367 -9.903 1.00 0.14 H new ATOM 0 HB2 GLU A 103 4.937 -6.171 -12.167 1.00 0.20 H new ATOM 0 HB3 GLU A 103 4.014 -7.650 -11.987 1.00 0.20 H new ATOM 0 HG2 GLU A 103 1.981 -6.615 -12.457 1.00 0.71 H new ATOM 0 HG3 GLU A 103 2.535 -5.036 -11.935 1.00 0.71 H new ATOM 1634 N LYS A 104 3.943 -8.587 -9.248 1.00 0.15 N ATOM 1635 CA LYS A 104 4.494 -9.765 -8.592 1.00 0.18 C ATOM 1636 C LYS A 104 4.878 -10.828 -9.619 1.00 0.30 C ATOM 1637 O LYS A 104 4.062 -11.674 -9.985 1.00 0.66 O ATOM 1638 CB LYS A 104 3.481 -10.339 -7.599 1.00 0.16 C ATOM 1639 CG LYS A 104 4.092 -11.300 -6.594 1.00 0.21 C ATOM 1640 CD LYS A 104 3.420 -12.664 -6.643 1.00 0.26 C ATOM 1641 CE LYS A 104 4.137 -13.671 -5.759 1.00 0.42 C ATOM 1642 NZ LYS A 104 3.182 -14.536 -5.013 1.00 1.19 N ATOM 0 H LYS A 104 2.941 -8.638 -9.433 1.00 0.15 H new ATOM 0 HA LYS A 104 5.392 -9.466 -8.052 1.00 0.18 H new ATOM 0 HB2 LYS A 104 3.006 -9.518 -7.062 1.00 0.16 H new ATOM 0 HB3 LYS A 104 2.696 -10.855 -8.151 1.00 0.16 H new ATOM 0 HG2 LYS A 104 5.157 -11.411 -6.797 1.00 0.21 H new ATOM 0 HG3 LYS A 104 4.001 -10.885 -5.590 1.00 0.21 H new ATOM 0 HD2 LYS A 104 2.382 -12.571 -6.323 1.00 0.26 H new ATOM 0 HD3 LYS A 104 3.405 -13.027 -7.671 1.00 0.26 H new ATOM 0 HE2 LYS A 104 4.787 -14.294 -6.373 1.00 0.42 H new ATOM 0 HE3 LYS A 104 4.776 -13.143 -5.052 1.00 0.42 H new ATOM 0 HZ1 LYS A 104 3.579 -15.493 -4.921 1.00 1.19 H new ATOM 0 HZ2 LYS A 104 3.019 -14.137 -4.067 1.00 1.19 H new ATOM 0 HZ3 LYS A 104 2.280 -14.583 -5.529 1.00 1.19 H new ATOM 1656 N LYS A 105 6.126 -10.773 -10.081 1.00 0.77 N ATOM 1657 CA LYS A 105 6.625 -11.727 -11.067 1.00 0.91 C ATOM 1658 C LYS A 105 5.762 -11.714 -12.325 1.00 1.17 C ATOM 1659 O LYS A 105 5.284 -12.756 -12.776 1.00 1.93 O ATOM 1660 CB LYS A 105 6.662 -13.137 -10.473 1.00 1.08 C ATOM 1661 CG LYS A 105 7.554 -13.258 -9.247 1.00 1.47 C ATOM 1662 CD LYS A 105 6.864 -14.027 -8.132 1.00 1.91 C ATOM 1663 CE LYS A 105 7.766 -15.112 -7.564 1.00 2.54 C ATOM 1664 NZ LYS A 105 8.150 -16.114 -8.596 1.00 3.04 N ATOM 0 H LYS A 105 6.810 -10.076 -9.787 1.00 0.77 H new ATOM 0 HA LYS A 105 7.637 -11.430 -11.341 1.00 0.91 H new ATOM 0 HB2 LYS A 105 5.649 -13.436 -10.206 1.00 1.08 H new ATOM 0 HB3 LYS A 105 7.010 -13.834 -11.235 1.00 1.08 H new ATOM 0 HG2 LYS A 105 8.482 -13.762 -9.519 1.00 1.47 H new ATOM 0 HG3 LYS A 105 7.824 -12.263 -8.892 1.00 1.47 H new ATOM 0 HD2 LYS A 105 6.576 -13.339 -7.337 1.00 1.91 H new ATOM 0 HD3 LYS A 105 5.947 -14.477 -8.512 1.00 1.91 H new ATOM 0 HE2 LYS A 105 8.665 -14.656 -7.149 1.00 2.54 H new ATOM 0 HE3 LYS A 105 7.256 -15.615 -6.743 1.00 2.54 H new ATOM 0 HZ1 LYS A 105 8.283 -17.042 -8.146 1.00 3.04 H new ATOM 0 HZ2 LYS A 105 7.398 -16.181 -9.312 1.00 3.04 H new ATOM 0 HZ3 LYS A 105 9.037 -15.820 -9.052 1.00 3.04 H new ATOM 1678 N SER A 106 5.565 -10.525 -12.889 1.00 1.51 N ATOM 1679 CA SER A 106 4.761 -10.374 -14.095 1.00 2.05 C ATOM 1680 C SER A 106 5.224 -9.171 -14.911 1.00 2.35 C ATOM 1681 O SER A 106 4.558 -8.760 -15.862 1.00 2.89 O ATOM 1682 CB SER A 106 3.284 -10.217 -13.731 1.00 2.83 C ATOM 1683 OG SER A 106 2.456 -10.909 -14.649 1.00 3.36 O ATOM 0 H SER A 106 5.952 -9.653 -12.529 1.00 1.51 H new ATOM 0 HA SER A 106 4.887 -11.272 -14.700 1.00 2.05 H new ATOM 0 HB2 SER A 106 3.112 -10.597 -12.724 1.00 2.83 H new ATOM 0 HB3 SER A 106 3.019 -9.160 -13.723 1.00 2.83 H new ATOM 0 HG SER A 106 1.517 -10.794 -14.393 1.00 3.36 H new ATOM 1689 N SER A 107 6.369 -8.613 -14.533 1.00 2.78 N ATOM 1690 CA SER A 107 6.922 -7.457 -15.230 1.00 3.58 C ATOM 1691 C SER A 107 7.418 -7.845 -16.620 1.00 4.13 C ATOM 1692 O SER A 107 7.758 -9.030 -16.816 1.00 4.38 O ATOM 1693 CB SER A 107 8.066 -6.846 -14.419 1.00 4.35 C ATOM 1694 OG SER A 107 8.408 -5.561 -14.908 1.00 4.82 O ATOM 0 H SER A 107 6.932 -8.942 -13.749 1.00 2.78 H new ATOM 0 HA SER A 107 6.129 -6.717 -15.341 1.00 3.58 H new ATOM 0 HB2 SER A 107 7.775 -6.774 -13.371 1.00 4.35 H new ATOM 0 HB3 SER A 107 8.937 -7.499 -14.464 1.00 4.35 H new ATOM 0 HG SER A 107 9.140 -5.191 -14.372 1.00 4.82 H new TER 1700 SER A 107 ATOM 1701 N ARG B 275 21.536 -0.385 7.136 1.00 4.68 N ATOM 1702 CA ARG B 275 20.350 -0.977 7.809 1.00 4.20 C ATOM 1703 C ARG B 275 19.913 -0.133 9.001 1.00 3.38 C ATOM 1704 O ARG B 275 20.731 0.244 9.840 1.00 3.81 O ATOM 1705 CB ARG B 275 20.708 -2.392 8.267 1.00 5.03 C ATOM 1706 CG ARG B 275 19.501 -3.296 8.450 1.00 5.76 C ATOM 1707 CD ARG B 275 19.756 -4.684 7.886 1.00 6.71 C ATOM 1708 NE ARG B 275 18.773 -5.049 6.869 1.00 7.30 N ATOM 1709 CZ ARG B 275 17.956 -6.094 6.972 1.00 8.08 C ATOM 1710 NH1 ARG B 275 18.003 -6.874 8.044 1.00 8.37 N ATOM 1711 NH2 ARG B 275 17.091 -6.358 6.003 1.00 8.80 N ATOM 0 HA ARG B 275 19.517 -1.007 7.106 1.00 4.20 H new ATOM 0 HB2 ARG B 275 21.381 -2.842 7.537 1.00 5.03 H new ATOM 0 HB3 ARG B 275 21.253 -2.333 9.209 1.00 5.03 H new ATOM 0 HG2 ARG B 275 19.259 -3.371 9.510 1.00 5.76 H new ATOM 0 HG3 ARG B 275 18.636 -2.854 7.956 1.00 5.76 H new ATOM 0 HD2 ARG B 275 20.756 -4.722 7.454 1.00 6.71 H new ATOM 0 HD3 ARG B 275 19.730 -5.415 8.695 1.00 6.71 H new ATOM 0 HE ARG B 275 18.709 -4.470 6.032 1.00 7.30 H new ATOM 0 HH11 ARG B 275 18.667 -6.673 8.792 1.00 8.37 H new ATOM 0 HH12 ARG B 275 17.375 -7.674 8.120 1.00 8.37 H new ATOM 0 HH21 ARG B 275 17.051 -5.760 5.178 1.00 8.80 H new ATOM 0 HH22 ARG B 275 16.465 -7.159 6.083 1.00 8.80 H new ATOM 1727 N LYS B 276 18.618 0.157 9.070 1.00 2.72 N ATOM 1728 CA LYS B 276 18.071 0.956 10.161 1.00 2.49 C ATOM 1729 C LYS B 276 16.551 0.836 10.214 1.00 1.67 C ATOM 1730 O LYS B 276 16.003 0.160 11.086 1.00 1.97 O ATOM 1731 CB LYS B 276 18.472 2.422 9.998 1.00 3.27 C ATOM 1732 CG LYS B 276 19.107 3.021 11.242 1.00 3.82 C ATOM 1733 CD LYS B 276 18.657 4.456 11.462 1.00 4.85 C ATOM 1734 CE LYS B 276 19.721 5.447 11.019 1.00 5.64 C ATOM 1735 NZ LYS B 276 19.239 6.325 9.917 1.00 6.66 N ATOM 0 H LYS B 276 17.928 -0.149 8.384 1.00 2.72 H new ATOM 0 HA LYS B 276 18.481 0.576 11.097 1.00 2.49 H new ATOM 0 HB2 LYS B 276 19.171 2.508 9.166 1.00 3.27 H new ATOM 0 HB3 LYS B 276 17.589 3.004 9.735 1.00 3.27 H new ATOM 0 HG2 LYS B 276 18.844 2.419 12.112 1.00 3.82 H new ATOM 0 HG3 LYS B 276 20.193 2.989 11.149 1.00 3.82 H new ATOM 0 HD2 LYS B 276 17.736 4.638 10.909 1.00 4.85 H new ATOM 0 HD3 LYS B 276 18.431 4.610 12.517 1.00 4.85 H new ATOM 0 HE2 LYS B 276 20.020 6.062 11.868 1.00 5.64 H new ATOM 0 HE3 LYS B 276 20.607 4.905 10.690 1.00 5.64 H new ATOM 0 HZ1 LYS B 276 19.994 6.986 9.644 1.00 6.66 H new ATOM 0 HZ2 LYS B 276 18.977 5.741 9.097 1.00 6.66 H new ATOM 0 HZ3 LYS B 276 18.409 6.862 10.239 1.00 6.66 H new ATOM 1749 N SER B 277 15.877 1.495 9.277 1.00 1.07 N ATOM 1750 CA SER B 277 14.421 1.465 9.216 1.00 0.33 C ATOM 1751 C SER B 277 13.921 2.030 7.889 1.00 0.34 C ATOM 1752 O SER B 277 13.880 3.245 7.697 1.00 0.61 O ATOM 1753 CB SER B 277 13.824 2.259 10.379 1.00 0.94 C ATOM 1754 OG SER B 277 13.013 1.434 11.198 1.00 1.83 O ATOM 0 H SER B 277 16.317 2.057 8.549 1.00 1.07 H new ATOM 0 HA SER B 277 14.100 0.426 9.293 1.00 0.33 H new ATOM 0 HB2 SER B 277 14.626 2.693 10.976 1.00 0.94 H new ATOM 0 HB3 SER B 277 13.231 3.087 9.991 1.00 0.94 H new ATOM 0 HG SER B 277 12.645 1.965 11.935 1.00 1.83 H new ATOM 1760 N LEU B 278 13.542 1.139 6.979 1.00 0.13 N ATOM 1761 CA LEU B 278 13.043 1.546 5.670 1.00 0.13 C ATOM 1762 C LEU B 278 11.527 1.713 5.697 1.00 0.18 C ATOM 1763 O LEU B 278 10.929 2.187 4.732 1.00 0.42 O ATOM 1764 CB LEU B 278 13.438 0.520 4.605 1.00 0.12 C ATOM 1765 CG LEU B 278 14.639 -0.358 4.964 1.00 0.13 C ATOM 1766 CD1 LEU B 278 14.466 -1.759 4.400 1.00 0.13 C ATOM 1767 CD2 LEU B 278 15.926 0.269 4.454 1.00 0.15 C ATOM 0 H LEU B 278 13.571 0.130 7.124 1.00 0.13 H new ATOM 0 HA LEU B 278 13.493 2.506 5.419 1.00 0.13 H new ATOM 0 HB2 LEU B 278 12.582 -0.125 4.409 1.00 0.12 H new ATOM 0 HB3 LEU B 278 13.658 1.048 3.677 1.00 0.12 H new ATOM 0 HG LEU B 278 14.699 -0.433 6.050 1.00 0.13 H new ATOM 0 HD11 LEU B 278 15.330 -2.368 4.666 1.00 0.13 H new ATOM 0 HD12 LEU B 278 13.564 -2.209 4.814 1.00 0.13 H new ATOM 0 HD13 LEU B 278 14.380 -1.706 3.315 1.00 0.13 H new ATOM 0 HD21 LEU B 278 16.770 -0.368 4.718 1.00 0.15 H new ATOM 0 HD22 LEU B 278 15.875 0.374 3.370 1.00 0.15 H new ATOM 0 HD23 LEU B 278 16.057 1.251 4.908 1.00 0.15 H new ATOM 1779 N THR B 279 10.914 1.321 6.810 1.00 0.16 N ATOM 1780 CA THR B 279 9.467 1.428 6.966 1.00 0.17 C ATOM 1781 C THR B 279 9.094 2.614 7.848 1.00 0.15 C ATOM 1782 O THR B 279 9.786 2.920 8.820 1.00 0.18 O ATOM 1783 CB THR B 279 8.868 0.146 7.573 1.00 0.20 C ATOM 1784 OG1 THR B 279 7.502 0.370 7.941 1.00 0.27 O ATOM 1785 CG2 THR B 279 9.660 -0.296 8.795 1.00 0.21 C ATOM 0 H THR B 279 11.397 0.926 7.617 1.00 0.16 H new ATOM 0 HA THR B 279 9.055 1.575 5.968 1.00 0.17 H new ATOM 0 HB THR B 279 8.918 -0.642 6.822 1.00 0.20 H new ATOM 0 HG1 THR B 279 7.357 0.067 8.862 1.00 0.27 H new ATOM 0 HG21 THR B 279 9.218 -1.203 9.206 1.00 0.21 H new ATOM 0 HG22 THR B 279 10.693 -0.494 8.507 1.00 0.21 H new ATOM 0 HG23 THR B 279 9.637 0.492 9.548 1.00 0.21 H new ATOM 1793 N ILE B 280 7.994 3.278 7.504 1.00 0.12 N ATOM 1794 CA ILE B 280 7.525 4.431 8.263 1.00 0.11 C ATOM 1795 C ILE B 280 6.054 4.279 8.640 1.00 0.10 C ATOM 1796 O ILE B 280 5.585 4.888 9.602 1.00 0.12 O ATOM 1797 CB ILE B 280 7.711 5.740 7.470 1.00 0.12 C ATOM 1798 CG1 ILE B 280 9.128 5.820 6.899 1.00 0.18 C ATOM 1799 CG2 ILE B 280 7.424 6.946 8.352 1.00 0.14 C ATOM 1800 CD1 ILE B 280 9.212 6.592 5.601 1.00 0.21 C ATOM 0 H ILE B 280 7.411 3.036 6.703 1.00 0.12 H new ATOM 0 HA ILE B 280 8.126 4.479 9.171 1.00 0.11 H new ATOM 0 HB ILE B 280 7.002 5.745 6.642 1.00 0.12 H new ATOM 0 HG12 ILE B 280 9.782 6.289 7.634 1.00 0.18 H new ATOM 0 HG13 ILE B 280 9.504 4.810 6.737 1.00 0.18 H new ATOM 0 HG21 ILE B 280 7.561 7.860 7.774 1.00 0.14 H new ATOM 0 HG22 ILE B 280 6.397 6.896 8.714 1.00 0.14 H new ATOM 0 HG23 ILE B 280 8.108 6.947 9.200 1.00 0.14 H new ATOM 0 HD11 ILE B 280 10.245 6.608 5.254 1.00 0.21 H new ATOM 0 HD12 ILE B 280 8.584 6.111 4.851 1.00 0.21 H new ATOM 0 HD13 ILE B 280 8.867 7.613 5.762 1.00 0.21 H new HETATM 1812 N PTR B 281 5.333 3.461 7.876 1.00 0.10 N HETATM 1813 CA PTR B 281 3.912 3.224 8.126 1.00 0.10 C HETATM 1814 C PTR B 281 3.115 4.524 8.034 1.00 0.11 C HETATM 1815 O PTR B 281 3.674 5.589 7.774 1.00 0.16 O HETATM 1816 CB PTR B 281 3.713 2.588 9.504 1.00 0.12 C HETATM 1817 CG PTR B 281 3.330 1.126 9.452 1.00 0.11 C HETATM 1818 CD1 PTR B 281 2.019 0.722 9.665 1.00 0.15 C HETATM 1819 CD2 PTR B 281 4.284 0.148 9.194 1.00 0.16 C HETATM 1820 CE1 PTR B 281 1.666 -0.612 9.625 1.00 0.19 C HETATM 1821 CE2 PTR B 281 3.939 -1.189 9.150 1.00 0.21 C HETATM 1822 CZ PTR B 281 2.629 -1.564 9.366 1.00 0.20 C HETATM 1823 OH PTR B 281 2.267 -2.958 9.324 1.00 0.27 O HETATM 1824 P PTR B 281 1.854 -3.741 10.693 1.00 0.32 P HETATM 1825 O1P PTR B 281 2.606 -5.062 10.657 1.00 1.57 O HETATM 1826 O2P PTR B 281 2.297 -2.842 11.835 1.00 1.38 O HETATM 1827 O3P PTR B 281 0.346 -3.917 10.631 1.00 1.31 O HETATM 0 HE2 PTR B 281 4.698 -1.944 8.946 1.00 0.21 H new HETATM 0 HE1 PTR B 281 0.632 -0.911 9.797 1.00 0.19 H new HETATM 0 HD2 PTR B 281 5.320 0.441 9.024 1.00 0.16 H new HETATM 0 HD1 PTR B 281 1.254 1.472 9.868 1.00 0.15 H new HETATM 0 HB3 PTR B 281 4.633 2.693 10.078 1.00 0.12 H new HETATM 0 HB2 PTR B 281 2.939 3.138 10.039 1.00 0.12 H new HETATM 0 HA PTR B 281 3.546 2.540 7.360 1.00 0.10 H new ATOM 1836 N ALA B 282 1.807 4.425 8.253 1.00 0.11 N ATOM 1837 CA ALA B 282 0.928 5.588 8.198 1.00 0.12 C ATOM 1838 C ALA B 282 -0.474 5.238 8.679 1.00 0.16 C ATOM 1839 O ALA B 282 -1.032 4.207 8.301 1.00 1.06 O ATOM 1840 CB ALA B 282 0.875 6.148 6.784 1.00 0.14 C ATOM 0 H ALA B 282 1.332 3.549 8.471 1.00 0.11 H new ATOM 0 HA ALA B 282 1.336 6.349 8.863 1.00 0.12 H new ATOM 0 HB1 ALA B 282 0.215 7.015 6.761 1.00 0.14 H new ATOM 0 HB2 ALA B 282 1.876 6.446 6.473 1.00 0.14 H new ATOM 0 HB3 ALA B 282 0.496 5.385 6.104 1.00 0.14 H new HETATM 1846 N NH2 B 283 -1.047 6.097 9.514 1.00 1.10 N TER 1849 NH2 B 283 CONECT 1795 1812 CONECT 1812 1795 1813 1828 CONECT 1813 1812 1814 1816 1829 CONECT 1814 1813 1815 1836 CONECT 1815 1814 CONECT 1816 1813 1817 1830 1831 CONECT 1817 1816 1818 1819 CONECT 1818 1817 1820 1832 CONECT 1819 1817 1821 1833 CONECT 1820 1818 1822 1834 CONECT 1821 1819 1822 1835 CONECT 1822 1820 1821 1823 CONECT 1823 1822 1824 CONECT 1824 1823 1825 1826 1827 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1824 CONECT 1828 1812 CONECT 1829 1813 CONECT 1830 1816 CONECT 1831 1816 CONECT 1832 1818 CONECT 1833 1819 CONECT 1834 1820 CONECT 1835 1821 CONECT 1836 1814 CONECT 1838 1846 CONECT 1846 1838 1847 1848 CONECT 1847 1846 CONECT 1848 1846 END