USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 hets) HEADER COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE) 03-OCT-95 1CSZ TITLE SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TITLE 2 PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN TITLE 3 G RECEPTOR, NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: SYK PROTEIN TYROSINE KINASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL SH2 DOMAIN; COMPND 5 EC: 2.7.1.112; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: ACETYL-THR-PTR-GLU-THR-LEU-NH2; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 OTHER_DETAILS: THE LIGAND IS A PHOSPHOTYROSINE CONTAINING PEPTIDE COMPND 2 DERIVED FROM THE HIGH-AFFINITY IGE RECEPTOR SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BL21; SOURCE 0 MOL_ID: 2; SOURCE 1 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 2 ORGANISM_COMMON: HUMAN; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 7 OTHER_DETAILS: RECOMBINANT CONSTRUCT ADDED TO PROTEIN DOMAIN KEYWDS PROTEIN-TYROSINE KINASE SH2 DOMAIN, COMPLEX (PHOSPHOTRANSFERASE- KEYWDS 2 PEPTIDE), COMPLEX (PHOSPHOTRANSFERASE-PEPTIDE) COMPLEX EXPDTA SOLUTION NMR AUTHOR S.S.NARULA,R.W.YUAN,S.E.ADAMS,O.M.GREEN,J.GREEN,T.B.PHILLIPS, AUTHOR 2 L.D.ZYDOWSKY,M.C.BOTFIELD,M.H.HATADA,E.R.LAIRD,M.J.ZOLLER,J.L.KARAS, AUTHOR 3 D.C.DALGARNO REVDAT 4 22-FEB-12 1CSZ 1 JRNL REMARK VERSN REVDAT 3 24-FEB-09 1CSZ 1 VERSN REVDAT 2 01-APR-03 1CSZ 1 JRNL REVDAT 1 08-NOV-96 1CSZ 0 JRNL AUTH S.S.NARULA,R.W.YUAN,S.E.ADAMS,O.M.GREEN,J.GREEN,T.B.PHILIPS, JRNL AUTH 2 L.D.ZYDOWSKY,M.C.BOTFIELD,M.HATADA,E.R.LAIRD,M.J.ZOLLER, JRNL AUTH 3 J.L.KARAS,D.C.DALGARNO JRNL TITL SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE HUMAN JRNL TITL 2 TYROSINE KINASE SYK COMPLEXED WITH A PHOSPHOTYROSINE JRNL TITL 3 PENTAPEPTIDE. JRNL REF STRUCTURE V. 3 1061 1995 JRNL REFN ISSN 0969-2126 JRNL PMID 8590001 JRNL DOI 10.1016/S0969-2126(01)00242-8 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CSZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 SER A 2 88.66 49.24 REMARK 500 ARG A 3 35.02 -169.04 REMARK 500 ARG A 4 166.85 52.79 REMARK 500 ALA A 5 -90.53 -85.95 REMARK 500 SER A 9 73.49 46.03 REMARK 500 HIS A 10 81.58 -69.91 REMARK 500 LYS A 12 106.45 -36.31 REMARK 500 MET A 13 158.31 153.13 REMARK 500 TRP A 15 9.08 -67.69 REMARK 500 LYS A 19 -53.37 -124.16 REMARK 500 ILE A 20 164.52 -41.93 REMARK 500 SER A 21 -73.66 -90.23 REMARK 500 ARG A 22 -40.28 -178.47 REMARK 500 SER A 33 -127.46 139.50 REMARK 500 LYS A 34 -57.53 82.12 REMARK 500 THR A 35 3.22 -60.15 REMARK 500 ASN A 36 99.25 52.76 REMARK 500 ARG A 44 -155.34 -83.82 REMARK 500 ASP A 45 84.99 -161.01 REMARK 500 ASN A 46 -53.94 -172.27 REMARK 500 ASN A 47 132.22 177.94 REMARK 500 ALA A 51 130.46 -170.32 REMARK 500 HIS A 56 -98.71 -79.48 REMARK 500 LYS A 67 -152.55 -90.61 REMARK 500 ASP A 68 50.65 -144.67 REMARK 500 LYS A 69 29.44 47.34 REMARK 500 SER A 74 -169.54 -170.31 REMARK 500 LYS A 79 -140.15 -137.01 REMARK 500 ASP A 96 -10.29 72.48 REMARK 500 LEU A 98 179.86 -49.06 REMARK 500 VAL A 101 177.05 -52.23 REMARK 500 THR A 103 -37.27 -151.02 REMARK 500 CYS A 106 -64.10 -91.03 REMARK 500 GLN A 107 161.88 -33.26 REMARK 500 LYS A 108 -177.74 -57.19 REMARK 500 ILE A 109 -122.08 -95.73 REMARK 500 THR A 111 -83.52 -88.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 6 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CSY RELATED DB: PDB DBREF 1CSZ A 10 112 UNP P43405 KSYK_HUMAN 163 265 DBREF 1CSZ B 0 6 PDB 1CSZ 1CSZ 0 6 SEQRES 1 A 112 GLY SER ARG ARG ALA SER VAL GLY SER HIS GLU LYS MET SEQRES 2 A 112 PRO TRP PHE HIS GLY LYS ILE SER ARG GLU GLU SER GLU SEQRES 3 A 112 GLN ILE VAL LEU ILE GLY SER LYS THR ASN GLY LYS PHE SEQRES 4 A 112 LEU ILE ARG ALA ARG ASP ASN ASN GLY SER TYR ALA LEU SEQRES 5 A 112 CYS LEU LEU HIS GLU GLY LYS VAL LEU HIS TYR ARG ILE SEQRES 6 A 112 ASP LYS ASP LYS THR GLY LYS LEU SER ILE PRO GLU GLY SEQRES 7 A 112 LYS LYS PHE ASP THR LEU TRP GLN LEU VAL GLU HIS TYR SEQRES 8 A 112 SER TYR LYS ALA ASP GLY LEU LEU ARG VAL LEU THR VAL SEQRES 9 A 112 PRO CYS GLN LYS ILE GLY THR GLN SEQRES 1 B 7 ACE THR PTR GLU THR LEU NH2 MODRES 1CSZ PTR B 2 TYR O-PHOSPHOTYROSINE HET ACE B 0 6 HET PTR B 2 24 HET NH2 B 6 3 HETNAM ACE ACETYL GROUP HETNAM PTR O-PHOSPHOTYROSINE HETNAM NH2 AMINO GROUP HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 ACE C2 H4 O FORMUL 2 PTR C9 H12 N O6 P FORMUL 2 NH2 H2 N HELIX 1 1 GLU A 23 ILE A 31 1 9 HELIX 2 2 LEU A 84 TYR A 93 1 10 SHEET 1 A 3 PHE A 39 ALA A 43 0 SHEET 2 A 3 TYR A 50 LEU A 55 -1 N CYS A 53 O LEU A 40 SHEET 3 A 3 LYS A 59 ILE A 65 -1 N ILE A 65 O TYR A 50 LINK C ACE B 0 N THR B 1 1555 1555 1.34 LINK N PTR B 2 C THR B 1 1555 1555 1.34 LINK C PTR B 2 N GLU B 3 1555 1555 1.33 LINK N NH2 B 6 C LEU B 5 1555 1555 1.35 SITE *** AC2 3 GLY A 97 THR B 4 LEU B 5 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 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot 57:sc= -0.486! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -4.46! C(o=-4.9!,f=-20!) USER MOD Set 2.1: A 36 ASN :FLIP amide:sc= -4.62! C(o=-11!,f=-7.8!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -3.19 K(o=-7.8,f=-13!) USER MOD Set 3.1: A 17 HIS :FLIP no HE2:sc= -5.03! C(o=-20!,f=-18!) USER MOD Set 3.2: A 107 GLN : amide:sc= -13.4! C(o=-18!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.959 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 22:sc= 0.854 USER MOD Single : A 10 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-3.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -158:sc= -0.332 (180deg=-0.638) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -56:sc= 0.12 USER MOD Single : A 27 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.51) USER MOD Single : A 33 SER OG : rot 87:sc= -3.01! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.107) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.929 F(o=-3.6!,f=-0.93) USER MOD Single : A 47 ASN : amide:sc= -0.549 K(o=-0.55,f=-2.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0955) USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 11:sc= 1.17 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0859 USER MOD Single : A 86 GLN : amide:sc= -0.821 K(o=-0.82,f=-2.5!) USER MOD Single : A 90 HIS : no HD1:sc= -3.19 X(o=-3.2,f=-2.9) USER MOD Single : A 91 TYR OH : rot 108:sc= -0.473 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 165:sc= -0.54 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 40:sc= -17.1! USER MOD Single : A 108 LYS NZ :NH3+ 165:sc= -0.0455 (180deg=-0.252) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0105 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.702 -18.923 0.217 1.00 0.00 N ATOM 2 CA GLY A 1 -20.504 -18.172 -0.138 1.00 0.00 C ATOM 3 C GLY A 1 -19.296 -18.576 0.710 1.00 0.00 C ATOM 4 O GLY A 1 -18.259 -18.988 0.205 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.494 -18.616 -0.383 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.531 -19.938 0.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.937 -18.751 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.276 -18.332 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.695 -17.106 -0.011 1.00 0.00 H new ATOM 10 N SER A 2 -19.508 -18.427 2.030 1.00 0.00 N ATOM 11 CA SER A 2 -18.439 -18.776 2.950 1.00 0.00 C ATOM 12 C SER A 2 -17.138 -18.119 2.492 1.00 0.00 C ATOM 13 O SER A 2 -16.353 -18.690 1.743 1.00 0.00 O ATOM 14 CB SER A 2 -18.285 -20.294 2.997 1.00 0.00 C ATOM 15 OG SER A 2 -17.932 -20.796 1.734 1.00 0.00 O ATOM 0 H SER A 2 -20.368 -18.084 2.457 1.00 0.00 H new ATOM 0 HA SER A 2 -18.679 -18.416 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.523 -20.565 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.219 -20.749 3.327 1.00 0.00 H new ATOM 0 HG SER A 2 -17.452 -20.106 1.230 1.00 0.00 H new ATOM 21 N ARG A 3 -16.966 -16.884 2.995 1.00 0.00 N ATOM 22 CA ARG A 3 -15.762 -16.148 2.637 1.00 0.00 C ATOM 23 C ARG A 3 -15.624 -14.897 3.514 1.00 0.00 C ATOM 24 O ARG A 3 -15.148 -13.857 3.076 1.00 0.00 O ATOM 25 CB ARG A 3 -15.827 -15.760 1.166 1.00 0.00 C ATOM 26 CG ARG A 3 -17.196 -15.193 0.797 1.00 0.00 C ATOM 27 CD ARG A 3 -17.293 -14.895 -0.696 1.00 0.00 C ATOM 28 NE ARG A 3 -16.493 -13.729 -1.032 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.197 -13.899 -1.359 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.663 -15.118 -1.378 1.00 0.00 N ATOM 31 NH2 ARG A 3 -14.447 -12.843 -1.665 1.00 0.00 N ATOM 0 H ARG A 3 -17.614 -16.402 3.618 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.890 -16.780 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.055 -15.021 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.615 -16.633 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.973 -15.903 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.378 -14.280 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.950 -15.757 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.333 -14.722 -0.972 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.906 -12.797 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.235 -15.929 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.681 -15.241 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.854 -11.908 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.466 -12.969 -1.913 1.00 0.00 H new ATOM 45 N ARG A 4 -16.064 -15.073 4.776 1.00 0.00 N ATOM 46 CA ARG A 4 -15.985 -13.957 5.703 1.00 0.00 C ATOM 47 C ARG A 4 -16.656 -12.730 5.086 1.00 0.00 C ATOM 48 O ARG A 4 -16.958 -12.683 3.900 1.00 0.00 O ATOM 49 CB ARG A 4 -14.520 -13.668 6.024 1.00 0.00 C ATOM 50 CG ARG A 4 -14.380 -12.495 6.996 1.00 0.00 C ATOM 51 CD ARG A 4 -12.993 -12.456 7.637 1.00 0.00 C ATOM 52 NE ARG A 4 -12.894 -11.325 8.543 1.00 0.00 N ATOM 53 CZ ARG A 4 -11.987 -11.367 9.537 1.00 0.00 C ATOM 54 NH1 ARG A 4 -11.195 -12.428 9.677 1.00 0.00 N ATOM 55 NH2 ARG A 4 -11.882 -10.345 10.382 1.00 0.00 N ATOM 0 H ARG A 4 -16.457 -15.936 5.152 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.504 -14.206 6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -14.059 -14.556 6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.982 -13.445 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -14.563 -11.560 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -15.139 -12.575 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.808 -13.383 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.228 -12.381 6.864 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.501 -10.513 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.274 -13.213 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.509 -12.456 10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.488 -9.531 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.195 -10.375 11.136 1.00 0.00 H new ATOM 69 N ALA A 5 -16.875 -11.746 5.977 1.00 0.00 N ATOM 70 CA ALA A 5 -17.506 -10.521 5.519 1.00 0.00 C ATOM 71 C ALA A 5 -16.439 -9.573 4.968 1.00 0.00 C ATOM 72 O ALA A 5 -16.103 -9.594 3.790 1.00 0.00 O ATOM 73 CB ALA A 5 -18.263 -9.875 6.678 1.00 0.00 C ATOM 0 H ALA A 5 -16.634 -11.779 6.968 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.216 -10.743 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.737 -8.955 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.026 -10.563 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -17.567 -9.645 7.484 1.00 0.00 H new ATOM 79 N SER A 6 -15.935 -8.743 5.899 1.00 0.00 N ATOM 80 CA SER A 6 -14.912 -7.790 5.500 1.00 0.00 C ATOM 81 C SER A 6 -13.610 -8.534 5.207 1.00 0.00 C ATOM 82 O SER A 6 -13.354 -9.618 5.717 1.00 0.00 O ATOM 83 CB SER A 6 -14.706 -6.768 6.615 1.00 0.00 C ATOM 84 OG SER A 6 -14.221 -7.391 7.777 1.00 0.00 O ATOM 0 H SER A 6 -16.208 -8.718 6.881 1.00 0.00 H new ATOM 0 HA SER A 6 -15.227 -7.265 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.004 -6.002 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.648 -6.265 6.832 1.00 0.00 H new ATOM 0 HG SER A 6 -14.094 -6.720 8.479 1.00 0.00 H new ATOM 90 N VAL A 7 -12.810 -7.873 4.350 1.00 0.00 N ATOM 91 CA VAL A 7 -11.537 -8.470 3.983 1.00 0.00 C ATOM 92 C VAL A 7 -10.858 -9.039 5.229 1.00 0.00 C ATOM 93 O VAL A 7 -10.543 -8.329 6.176 1.00 0.00 O ATOM 94 CB VAL A 7 -10.652 -7.413 3.328 1.00 0.00 C ATOM 95 CG1 VAL A 7 -10.501 -6.199 4.243 1.00 0.00 C ATOM 96 CG2 VAL A 7 -9.279 -8.000 2.997 1.00 0.00 C ATOM 0 H VAL A 7 -13.017 -6.970 3.923 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.701 -9.282 3.274 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.128 -7.091 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.867 -5.456 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.482 -5.767 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.046 -6.507 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.659 -7.235 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.801 -8.346 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.398 -8.839 2.311 1.00 0.00 H new ATOM 106 N GLY A 8 -10.659 -10.367 5.157 1.00 0.00 N ATOM 107 CA GLY A 8 -10.020 -11.034 6.274 1.00 0.00 C ATOM 108 C GLY A 8 -8.498 -10.921 6.180 1.00 0.00 C ATOM 109 O GLY A 8 -7.769 -11.903 6.258 1.00 0.00 O ATOM 0 H GLY A 8 -10.921 -10.964 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.364 -10.594 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.310 -12.085 6.290 1.00 0.00 H new ATOM 113 N SER A 9 -8.075 -9.656 6.006 1.00 0.00 N ATOM 114 CA SER A 9 -6.649 -9.410 5.899 1.00 0.00 C ATOM 115 C SER A 9 -6.030 -10.425 4.941 1.00 0.00 C ATOM 116 O SER A 9 -5.335 -11.352 5.339 1.00 0.00 O ATOM 117 CB SER A 9 -6.011 -9.518 7.281 1.00 0.00 C ATOM 118 OG SER A 9 -6.157 -10.817 7.794 1.00 0.00 O ATOM 0 H SER A 9 -8.675 -8.834 5.941 1.00 0.00 H new ATOM 0 HA SER A 9 -6.473 -8.407 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.953 -9.262 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.474 -8.800 7.958 1.00 0.00 H new ATOM 0 HG SER A 9 -6.311 -11.444 7.057 1.00 0.00 H new ATOM 124 N HIS A 10 -6.330 -10.180 3.653 1.00 0.00 N ATOM 125 CA HIS A 10 -5.808 -11.075 2.636 1.00 0.00 C ATOM 126 C HIS A 10 -4.297 -10.887 2.519 1.00 0.00 C ATOM 127 O HIS A 10 -3.798 -10.190 1.644 1.00 0.00 O ATOM 128 CB HIS A 10 -6.488 -10.781 1.301 1.00 0.00 C ATOM 129 CG HIS A 10 -7.941 -11.190 1.371 1.00 0.00 C ATOM 130 ND1 HIS A 10 -8.700 -11.451 0.285 1.00 0.00 N ATOM 131 CD2 HIS A 10 -8.741 -11.366 2.516 1.00 0.00 C ATOM 132 CE1 HIS A 10 -9.921 -11.776 0.743 1.00 0.00 C ATOM 133 NE2 HIS A 10 -9.970 -11.732 2.086 1.00 0.00 N ATOM 0 H HIS A 10 -6.903 -9.407 3.314 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.013 -12.109 2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.410 -9.719 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.986 -11.322 0.499 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -8.405 -11.410 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.432 -11.234 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.757 -12.039 0.112 1.00 0.00 H new ATOM 141 N GLU A 11 -3.608 -11.560 3.458 1.00 0.00 N ATOM 142 CA GLU A 11 -2.170 -11.475 3.463 1.00 0.00 C ATOM 143 C GLU A 11 -1.631 -11.926 2.112 1.00 0.00 C ATOM 144 O GLU A 11 -0.885 -11.225 1.439 1.00 0.00 O ATOM 145 CB GLU A 11 -1.652 -12.378 4.570 1.00 0.00 C ATOM 146 CG GLU A 11 -0.588 -11.678 5.406 1.00 0.00 C ATOM 147 CD GLU A 11 -0.052 -12.631 6.476 1.00 0.00 C ATOM 148 OE1 GLU A 11 0.770 -13.484 6.144 1.00 0.00 O ATOM 149 OE2 GLU A 11 -0.462 -12.509 7.629 1.00 0.00 O ATOM 0 H GLU A 11 -4.019 -12.142 4.188 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.842 -10.450 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.480 -12.681 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.236 -13.287 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.227 -11.342 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.010 -10.790 5.877 1.00 0.00 H new ATOM 156 N LYS A 12 -2.068 -13.151 1.778 1.00 0.00 N ATOM 157 CA LYS A 12 -1.651 -13.737 0.511 1.00 0.00 C ATOM 158 C LYS A 12 -1.559 -12.653 -0.563 1.00 0.00 C ATOM 159 O LYS A 12 -2.557 -12.154 -1.057 1.00 0.00 O ATOM 160 CB LYS A 12 -2.657 -14.809 0.099 1.00 0.00 C ATOM 161 CG LYS A 12 -2.836 -15.863 1.192 1.00 0.00 C ATOM 162 CD LYS A 12 -4.028 -16.776 0.902 1.00 0.00 C ATOM 163 CE LYS A 12 -3.880 -17.482 -0.446 1.00 0.00 C ATOM 164 NZ LYS A 12 -5.039 -18.306 -0.770 1.00 0.00 N ATOM 0 H LYS A 12 -2.686 -13.730 2.347 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.667 -14.192 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.618 -14.343 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.321 -15.290 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.929 -16.462 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.979 -15.370 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.120 -17.519 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.947 -16.189 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.736 -16.738 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.986 -18.106 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.892 -18.764 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.163 -19.034 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.889 -17.708 -0.812 1.00 0.00 H new ATOM 178 N MET A 13 -0.285 -12.340 -0.873 1.00 0.00 N ATOM 179 CA MET A 13 -0.002 -11.321 -1.882 1.00 0.00 C ATOM 180 C MET A 13 1.366 -10.713 -1.555 1.00 0.00 C ATOM 181 O MET A 13 1.843 -10.785 -0.430 1.00 0.00 O ATOM 182 CB MET A 13 -1.083 -10.233 -1.879 1.00 0.00 C ATOM 183 CG MET A 13 -2.079 -10.379 -3.044 1.00 0.00 C ATOM 184 SD MET A 13 -1.252 -10.822 -4.580 1.00 0.00 S ATOM 185 CE MET A 13 -1.731 -12.557 -4.631 1.00 0.00 C ATOM 0 H MET A 13 0.538 -12.769 -0.449 1.00 0.00 H new ATOM 0 HA MET A 13 0.004 -11.770 -2.875 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.627 -10.270 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.607 -9.254 -1.934 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.818 -11.141 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.620 -9.442 -3.179 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.033 -13.109 -5.261 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.713 -12.969 -3.622 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.737 -12.645 -5.041 1.00 0.00 H new ATOM 195 N PRO A 14 1.978 -10.111 -2.602 1.00 0.00 N ATOM 196 CA PRO A 14 3.279 -9.483 -2.491 1.00 0.00 C ATOM 197 C PRO A 14 3.148 -8.078 -1.937 1.00 0.00 C ATOM 198 O PRO A 14 3.558 -7.757 -0.831 1.00 0.00 O ATOM 199 CB PRO A 14 3.782 -9.370 -3.928 1.00 0.00 C ATOM 200 CG PRO A 14 2.535 -9.470 -4.817 1.00 0.00 C ATOM 201 CD PRO A 14 1.417 -10.040 -3.937 1.00 0.00 C ATOM 0 HA PRO A 14 3.937 -10.053 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.301 -8.425 -4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.491 -10.166 -4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.259 -8.491 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.721 -10.116 -5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.535 -9.400 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.106 -11.025 -4.286 1.00 0.00 H new ATOM 209 N TRP A 15 2.515 -7.281 -2.805 1.00 0.00 N ATOM 210 CA TRP A 15 2.298 -5.880 -2.458 1.00 0.00 C ATOM 211 C TRP A 15 1.304 -5.744 -1.294 1.00 0.00 C ATOM 212 O TRP A 15 0.867 -4.651 -0.965 1.00 0.00 O ATOM 213 CB TRP A 15 1.788 -5.095 -3.682 1.00 0.00 C ATOM 214 CG TRP A 15 0.749 -5.891 -4.464 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.041 -6.920 -3.958 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.397 -5.729 -5.840 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.860 -7.395 -4.942 1.00 0.00 N ATOM 218 CE2 TRP A 15 -0.624 -6.690 -6.124 1.00 0.00 C ATOM 219 CE3 TRP A 15 0.850 -4.872 -6.832 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -1.175 -6.776 -7.396 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.294 -4.951 -8.134 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.720 -5.904 -8.416 1.00 0.00 C ATOM 0 H TRP A 15 2.158 -7.569 -3.716 1.00 0.00 H new ATOM 0 HA TRP A 15 3.254 -5.463 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.353 -4.151 -3.354 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.627 -4.851 -4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.011 -7.286 -2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.539 -8.148 -4.831 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.622 -4.149 -6.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.945 -7.503 -7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.642 -4.286 -8.911 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.144 -5.964 -9.407 1.00 0.00 H new ATOM 233 N PHE A 16 0.973 -6.903 -0.692 1.00 0.00 N ATOM 234 CA PHE A 16 0.059 -6.845 0.428 1.00 0.00 C ATOM 235 C PHE A 16 0.548 -7.740 1.558 1.00 0.00 C ATOM 236 O PHE A 16 0.132 -8.881 1.707 1.00 0.00 O ATOM 237 CB PHE A 16 -1.326 -7.277 -0.014 1.00 0.00 C ATOM 238 CG PHE A 16 -2.330 -6.975 1.064 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.511 -7.882 2.139 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.078 -5.770 1.044 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.421 -7.589 3.179 1.00 0.00 C ATOM 242 CE2 PHE A 16 -3.989 -5.481 2.087 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.160 -6.390 3.152 1.00 0.00 C ATOM 0 H PHE A 16 1.309 -7.830 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 16 0.014 -5.818 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.601 -6.759 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.329 -8.344 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.949 -8.804 2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.952 -5.071 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.550 -8.284 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.555 -4.562 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.857 -6.167 3.946 1.00 0.00 H new ATOM 253 N HIS A 17 1.463 -7.147 2.337 1.00 0.00 N ATOM 254 CA HIS A 17 1.977 -7.883 3.467 1.00 0.00 C ATOM 255 C HIS A 17 1.514 -7.196 4.746 1.00 0.00 C ATOM 256 O HIS A 17 1.908 -6.081 5.067 1.00 0.00 O ATOM 257 CB HIS A 17 3.491 -7.940 3.414 1.00 0.00 C ATOM 258 CG HIS A 17 3.919 -9.100 2.548 1.00 0.00 C ATOM 259 ND1 HIS A 17 3.426 -9.460 1.282 1.00 0.00 N flip ATOM 260 CD2 HIS A 17 4.869 -9.993 2.899 1.00 0.00 C flip ATOM 261 CE1 HIS A 17 4.096 -10.571 0.897 1.00 0.00 C flip ATOM 262 NE2 HIS A 17 4.957 -10.872 1.886 1.00 0.00 N flip ATOM 0 H HIS A 17 1.838 -6.208 2.206 1.00 0.00 H new ATOM 0 HA HIS A 17 1.602 -8.906 3.443 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.887 -7.007 3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.897 -8.053 4.419 1.00 0.00 H new ATOM 0 HD1 HIS A 17 2.701 -8.976 0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.444 -10.000 3.813 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.965 -11.113 -0.028 1.00 0.00 H new ATOM 270 N GLY A 18 0.651 -7.943 5.443 1.00 0.00 N ATOM 271 CA GLY A 18 0.114 -7.413 6.682 1.00 0.00 C ATOM 272 C GLY A 18 0.987 -7.817 7.877 1.00 0.00 C ATOM 273 O GLY A 18 0.506 -8.052 8.979 1.00 0.00 O ATOM 0 H GLY A 18 0.326 -8.873 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.055 -6.326 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.902 -7.780 6.829 1.00 0.00 H new ATOM 277 N LYS A 19 2.297 -7.881 7.575 1.00 0.00 N ATOM 278 CA LYS A 19 3.239 -8.257 8.614 1.00 0.00 C ATOM 279 C LYS A 19 4.306 -7.172 8.755 1.00 0.00 C ATOM 280 O LYS A 19 4.560 -6.650 9.834 1.00 0.00 O ATOM 281 CB LYS A 19 3.882 -9.592 8.246 1.00 0.00 C ATOM 282 CG LYS A 19 4.813 -10.095 9.350 1.00 0.00 C ATOM 283 CD LYS A 19 5.538 -11.373 8.929 1.00 0.00 C ATOM 284 CE LYS A 19 6.487 -11.868 10.020 1.00 0.00 C ATOM 285 NZ LYS A 19 7.176 -13.095 9.640 1.00 0.00 N ATOM 0 H LYS A 19 2.702 -7.685 6.660 1.00 0.00 H new ATOM 0 HA LYS A 19 2.720 -8.361 9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.103 -10.332 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.444 -9.482 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.544 -9.323 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.237 -10.283 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.807 -12.149 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.100 -11.188 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.223 -11.093 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.924 -12.039 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.808 -13.391 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.477 -13.843 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.735 -12.927 8.779 1.00 0.00 H new ATOM 299 N ILE A 20 4.908 -6.874 7.589 1.00 0.00 N ATOM 300 CA ILE A 20 5.949 -5.857 7.578 1.00 0.00 C ATOM 301 C ILE A 20 5.535 -4.680 8.456 1.00 0.00 C ATOM 302 O ILE A 20 4.379 -4.521 8.830 1.00 0.00 O ATOM 303 CB ILE A 20 6.204 -5.391 6.146 1.00 0.00 C ATOM 304 CG1 ILE A 20 4.901 -5.391 5.341 1.00 0.00 C ATOM 305 CG2 ILE A 20 7.246 -6.285 5.477 1.00 0.00 C ATOM 306 CD1 ILE A 20 5.106 -4.826 3.935 1.00 0.00 C ATOM 0 H ILE A 20 4.699 -7.304 6.688 1.00 0.00 H new ATOM 0 HA ILE A 20 6.870 -6.282 7.977 1.00 0.00 H new ATOM 0 HB ILE A 20 6.588 -4.371 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.516 -6.408 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.149 -4.800 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.419 -5.942 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.179 -6.239 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.885 -7.313 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.159 -4.842 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.467 -3.800 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.838 -5.433 3.402 1.00 0.00 H new ATOM 318 N SER A 21 6.567 -3.873 8.754 1.00 0.00 N ATOM 319 CA SER A 21 6.325 -2.711 9.590 1.00 0.00 C ATOM 320 C SER A 21 5.969 -1.511 8.719 1.00 0.00 C ATOM 321 O SER A 21 4.830 -1.066 8.637 1.00 0.00 O ATOM 322 CB SER A 21 7.572 -2.415 10.418 1.00 0.00 C ATOM 323 OG SER A 21 7.364 -1.299 11.246 1.00 0.00 O ATOM 0 H SER A 21 7.529 -4.002 8.441 1.00 0.00 H new ATOM 0 HA SER A 21 5.491 -2.912 10.262 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.826 -3.283 11.026 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.419 -2.231 9.757 1.00 0.00 H new ATOM 0 HG SER A 21 8.173 -1.125 11.770 1.00 0.00 H new ATOM 329 N ARG A 22 7.041 -1.037 8.086 1.00 0.00 N ATOM 330 CA ARG A 22 6.929 0.118 7.212 1.00 0.00 C ATOM 331 C ARG A 22 8.316 0.372 6.623 1.00 0.00 C ATOM 332 O ARG A 22 8.490 0.687 5.452 1.00 0.00 O ATOM 333 CB ARG A 22 6.454 1.329 8.012 1.00 0.00 C ATOM 334 CG ARG A 22 6.172 2.525 7.105 1.00 0.00 C ATOM 335 CD ARG A 22 6.079 3.830 7.898 1.00 0.00 C ATOM 336 NE ARG A 22 7.408 4.298 8.262 1.00 0.00 N ATOM 337 CZ ARG A 22 7.899 4.012 9.487 1.00 0.00 C ATOM 338 NH1 ARG A 22 7.180 3.311 10.359 1.00 0.00 N ATOM 339 NH2 ARG A 22 9.114 4.436 9.823 1.00 0.00 N ATOM 0 H ARG A 22 7.979 -1.430 8.163 1.00 0.00 H new ATOM 0 HA ARG A 22 6.205 -0.058 6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.551 1.070 8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.211 1.600 8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.962 2.609 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.239 2.360 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.569 4.589 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.482 3.675 8.797 1.00 0.00 H new ATOM 0 HE ARG A 22 7.964 4.837 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.248 2.984 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.561 3.101 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.669 4.974 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.491 4.224 10.747 1.00 0.00 H new ATOM 353 N GLU A 23 9.283 0.196 7.543 1.00 0.00 N ATOM 354 CA GLU A 23 10.663 0.345 7.179 1.00 0.00 C ATOM 355 C GLU A 23 11.103 -0.934 6.485 1.00 0.00 C ATOM 356 O GLU A 23 11.758 -0.940 5.451 1.00 0.00 O ATOM 357 CB GLU A 23 11.448 0.560 8.468 1.00 0.00 C ATOM 358 CG GLU A 23 11.969 -0.737 9.080 1.00 0.00 C ATOM 359 CD GLU A 23 12.877 -0.422 10.271 1.00 0.00 C ATOM 360 OE1 GLU A 23 12.446 0.310 11.160 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.004 -0.913 10.294 1.00 0.00 O ATOM 0 H GLU A 23 9.117 -0.045 8.520 1.00 0.00 H new ATOM 0 HA GLU A 23 10.828 1.187 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.290 1.223 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.811 1.066 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.134 -1.359 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.520 -1.307 8.332 1.00 0.00 H new ATOM 368 N GLU A 24 10.675 -2.009 7.156 1.00 0.00 N ATOM 369 CA GLU A 24 10.984 -3.332 6.657 1.00 0.00 C ATOM 370 C GLU A 24 10.657 -3.423 5.163 1.00 0.00 C ATOM 371 O GLU A 24 11.391 -4.009 4.378 1.00 0.00 O ATOM 372 CB GLU A 24 10.176 -4.351 7.450 1.00 0.00 C ATOM 373 CG GLU A 24 10.308 -4.113 8.954 1.00 0.00 C ATOM 374 CD GLU A 24 11.725 -4.465 9.413 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.549 -4.800 8.564 1.00 0.00 O ATOM 376 OE2 GLU A 24 11.986 -4.399 10.613 1.00 0.00 O ATOM 0 H GLU A 24 10.131 -1.983 8.018 1.00 0.00 H new ATOM 0 HA GLU A 24 12.047 -3.538 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.127 -4.291 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.517 -5.357 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.089 -3.071 9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.580 -4.720 9.493 1.00 0.00 H new ATOM 383 N SER A 25 9.516 -2.794 4.828 1.00 0.00 N ATOM 384 CA SER A 25 9.086 -2.818 3.435 1.00 0.00 C ATOM 385 C SER A 25 9.826 -1.755 2.607 1.00 0.00 C ATOM 386 O SER A 25 9.979 -1.879 1.398 1.00 0.00 O ATOM 387 CB SER A 25 7.581 -2.585 3.382 1.00 0.00 C ATOM 388 OG SER A 25 7.292 -1.213 3.290 1.00 0.00 O ATOM 0 H SER A 25 8.907 -2.289 5.472 1.00 0.00 H new ATOM 0 HA SER A 25 9.325 -3.790 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.157 -3.109 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.112 -3.001 4.274 1.00 0.00 H new ATOM 0 HG SER A 25 7.714 -0.739 4.037 1.00 0.00 H new ATOM 394 N GLU A 26 10.269 -0.710 3.331 1.00 0.00 N ATOM 395 CA GLU A 26 10.973 0.359 2.667 1.00 0.00 C ATOM 396 C GLU A 26 12.418 -0.061 2.350 1.00 0.00 C ATOM 397 O GLU A 26 13.065 0.487 1.465 1.00 0.00 O ATOM 398 CB GLU A 26 10.916 1.574 3.588 1.00 0.00 C ATOM 399 CG GLU A 26 12.275 2.244 3.747 1.00 0.00 C ATOM 400 CD GLU A 26 12.200 3.331 4.823 1.00 0.00 C ATOM 401 OE1 GLU A 26 11.092 3.745 5.163 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.249 3.748 5.310 1.00 0.00 O ATOM 0 H GLU A 26 10.150 -0.600 4.338 1.00 0.00 H new ATOM 0 HA GLU A 26 10.511 0.602 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.202 2.295 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.548 1.268 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.026 1.502 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.588 2.681 2.798 1.00 0.00 H new ATOM 409 N GLN A 27 12.875 -1.065 3.123 1.00 0.00 N ATOM 410 CA GLN A 27 14.219 -1.566 2.882 1.00 0.00 C ATOM 411 C GLN A 27 14.113 -2.574 1.741 1.00 0.00 C ATOM 412 O GLN A 27 15.035 -2.796 0.970 1.00 0.00 O ATOM 413 CB GLN A 27 14.790 -2.213 4.143 1.00 0.00 C ATOM 414 CG GLN A 27 13.821 -3.221 4.753 1.00 0.00 C ATOM 415 CD GLN A 27 14.498 -3.959 5.910 1.00 0.00 C ATOM 416 OE1 GLN A 27 14.807 -5.142 5.831 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.704 -3.176 6.983 1.00 0.00 N ATOM 0 H GLN A 27 12.358 -1.517 3.877 1.00 0.00 H new ATOM 0 HA GLN A 27 14.898 -0.756 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.729 -2.712 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.019 -1.440 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.927 -2.709 5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.499 -3.934 3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.415 -2.198 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.150 -3.560 7.816 1.00 0.00 H new ATOM 426 N ILE A 28 12.907 -3.163 1.690 1.00 0.00 N ATOM 427 CA ILE A 28 12.636 -4.086 0.648 1.00 0.00 C ATOM 428 C ILE A 28 12.543 -3.320 -0.664 1.00 0.00 C ATOM 429 O ILE A 28 12.982 -3.763 -1.718 1.00 0.00 O ATOM 430 CB ILE A 28 11.323 -4.742 0.999 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.527 -5.847 2.019 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.654 -5.289 -0.242 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.227 -6.157 2.754 1.00 0.00 C ATOM 0 H ILE A 28 12.145 -3.005 2.349 1.00 0.00 H new ATOM 0 HA ILE A 28 13.414 -4.842 0.537 1.00 0.00 H new ATOM 0 HB ILE A 28 10.674 -3.985 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.890 -6.745 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.292 -5.549 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.709 -5.758 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.466 -4.475 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.304 -6.028 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.400 -6.952 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.880 -5.263 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.471 -6.478 2.037 1.00 0.00 H new ATOM 445 N VAL A 29 11.918 -2.146 -0.520 1.00 0.00 N ATOM 446 CA VAL A 29 11.809 -1.280 -1.670 1.00 0.00 C ATOM 447 C VAL A 29 13.206 -0.864 -2.106 1.00 0.00 C ATOM 448 O VAL A 29 13.469 -0.587 -3.269 1.00 0.00 O ATOM 449 CB VAL A 29 10.981 -0.052 -1.273 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.526 1.224 -1.915 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.507 -0.234 -1.635 1.00 0.00 C ATOM 0 H VAL A 29 11.502 -1.796 0.343 1.00 0.00 H new ATOM 0 HA VAL A 29 11.320 -1.792 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 29 11.061 0.049 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.915 2.074 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.555 1.383 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.498 1.126 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.948 0.654 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.412 -0.382 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.109 -1.104 -1.112 1.00 0.00 H new ATOM 461 N LEU A 30 14.075 -0.834 -1.093 1.00 0.00 N ATOM 462 CA LEU A 30 15.421 -0.478 -1.362 1.00 0.00 C ATOM 463 C LEU A 30 15.967 -1.468 -2.387 1.00 0.00 C ATOM 464 O LEU A 30 16.749 -1.139 -3.271 1.00 0.00 O ATOM 465 CB LEU A 30 16.145 -0.569 -0.025 1.00 0.00 C ATOM 466 CG LEU A 30 17.108 -1.741 0.048 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.413 -1.409 -0.653 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.369 -2.128 1.488 1.00 0.00 C ATOM 0 H LEU A 30 13.858 -1.048 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 30 15.542 0.523 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.694 0.357 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.410 -0.659 0.775 1.00 0.00 H new ATOM 0 HG LEU A 30 16.649 -2.588 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.088 -2.262 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.216 -1.181 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.874 -0.545 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.061 -2.969 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.803 -1.281 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.431 -2.412 1.964 1.00 0.00 H new ATOM 480 N ILE A 31 15.479 -2.709 -2.188 1.00 0.00 N ATOM 481 CA ILE A 31 15.885 -3.766 -3.057 1.00 0.00 C ATOM 482 C ILE A 31 15.353 -3.501 -4.439 1.00 0.00 C ATOM 483 O ILE A 31 16.071 -3.241 -5.396 1.00 0.00 O ATOM 484 CB ILE A 31 15.294 -5.098 -2.599 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.972 -5.149 -1.116 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.223 -6.208 -2.978 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.065 -5.856 -0.312 1.00 0.00 C ATOM 0 H ILE A 31 14.825 -2.972 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 31 16.974 -3.813 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 31 14.337 -5.214 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.844 -4.134 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.023 -5.666 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.804 -7.160 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.353 -6.220 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.189 -6.054 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.791 -5.868 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.175 -6.880 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.009 -5.325 -0.435 1.00 0.00 H new ATOM 499 N GLY A 32 14.020 -3.598 -4.448 1.00 0.00 N ATOM 500 CA GLY A 32 13.328 -3.443 -5.701 1.00 0.00 C ATOM 501 C GLY A 32 12.628 -2.089 -5.833 1.00 0.00 C ATOM 502 O GLY A 32 12.104 -1.537 -4.876 1.00 0.00 O ATOM 0 H GLY A 32 13.432 -3.775 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.039 -3.560 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.590 -4.239 -5.803 1.00 0.00 H new ATOM 506 N SER A 33 12.672 -1.624 -7.104 1.00 0.00 N ATOM 507 CA SER A 33 12.054 -0.346 -7.460 1.00 0.00 C ATOM 508 C SER A 33 12.984 0.384 -8.436 1.00 0.00 C ATOM 509 O SER A 33 13.387 -0.169 -9.452 1.00 0.00 O ATOM 510 CB SER A 33 11.750 0.491 -6.214 1.00 0.00 C ATOM 511 OG SER A 33 11.329 1.783 -6.570 1.00 0.00 O ATOM 0 H SER A 33 13.122 -2.111 -7.879 1.00 0.00 H new ATOM 0 HA SER A 33 11.094 -0.519 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.976 0.002 -5.622 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.639 0.554 -5.587 1.00 0.00 H new ATOM 0 HG SER A 33 10.361 1.782 -6.720 1.00 0.00 H new ATOM 517 N LYS A 34 13.294 1.649 -8.076 1.00 0.00 N ATOM 518 CA LYS A 34 14.178 2.419 -8.940 1.00 0.00 C ATOM 519 C LYS A 34 13.392 3.022 -10.090 1.00 0.00 C ATOM 520 O LYS A 34 13.360 4.225 -10.315 1.00 0.00 O ATOM 521 CB LYS A 34 15.231 1.487 -9.523 1.00 0.00 C ATOM 522 CG LYS A 34 16.526 2.227 -9.830 1.00 0.00 C ATOM 523 CD LYS A 34 17.604 1.940 -8.785 1.00 0.00 C ATOM 524 CE LYS A 34 18.042 0.476 -8.819 1.00 0.00 C ATOM 525 NZ LYS A 34 19.169 0.213 -7.932 1.00 0.00 N ATOM 0 H LYS A 34 12.961 2.127 -7.239 1.00 0.00 H new ATOM 0 HA LYS A 34 14.641 3.214 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.431 0.678 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.848 1.029 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.888 1.934 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.332 3.299 -9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.466 2.583 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.225 2.184 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.203 -0.158 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.315 0.205 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.429 -0.792 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.980 0.798 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.903 0.446 -6.954 1.00 0.00 H new ATOM 539 N THR A 35 12.770 2.071 -10.791 1.00 0.00 N ATOM 540 CA THR A 35 11.996 2.414 -11.968 1.00 0.00 C ATOM 541 C THR A 35 10.838 3.371 -11.673 1.00 0.00 C ATOM 542 O THR A 35 10.049 3.716 -12.545 1.00 0.00 O ATOM 543 CB THR A 35 11.463 1.118 -12.553 1.00 0.00 C ATOM 544 OG1 THR A 35 12.112 0.017 -11.959 1.00 0.00 O ATOM 545 CG2 THR A 35 11.664 1.065 -14.055 1.00 0.00 C ATOM 0 H THR A 35 12.790 1.077 -10.563 1.00 0.00 H new ATOM 0 HA THR A 35 12.645 2.940 -12.668 1.00 0.00 H new ATOM 0 HB THR A 35 10.394 1.076 -12.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.761 -0.815 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.272 0.124 -14.442 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.138 1.897 -14.522 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.728 1.135 -14.282 1.00 0.00 H new ATOM 553 N ASN A 36 10.791 3.768 -10.408 1.00 0.00 N ATOM 554 CA ASN A 36 9.743 4.682 -10.001 1.00 0.00 C ATOM 555 C ASN A 36 8.395 4.111 -10.421 1.00 0.00 C ATOM 556 O ASN A 36 7.967 4.217 -11.564 1.00 0.00 O ATOM 557 CB ASN A 36 9.982 6.051 -10.639 1.00 0.00 C ATOM 558 CG ASN A 36 8.849 7.021 -10.280 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.214 6.704 -9.135 1.00 0.00 O flip ATOM 560 ND2 ASN A 36 8.578 7.982 -10.989 1.00 0.00 N flip ATOM 0 H ASN A 36 11.440 3.483 -9.675 1.00 0.00 H new ATOM 0 HA ASN A 36 9.749 4.805 -8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.935 6.455 -10.298 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.049 5.947 -11.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.109 8.152 -11.843 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.821 8.613 -10.726 1.00 0.00 H new ATOM 567 N GLY A 37 7.767 3.500 -9.408 1.00 0.00 N ATOM 568 CA GLY A 37 6.471 2.894 -9.647 1.00 0.00 C ATOM 569 C GLY A 37 6.256 1.646 -8.779 1.00 0.00 C ATOM 570 O GLY A 37 5.163 1.097 -8.720 1.00 0.00 O ATOM 0 H GLY A 37 8.124 3.418 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.686 3.621 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.385 2.624 -10.699 1.00 0.00 H new ATOM 574 N LYS A 38 7.357 1.229 -8.112 1.00 0.00 N ATOM 575 CA LYS A 38 7.224 0.062 -7.272 1.00 0.00 C ATOM 576 C LYS A 38 6.450 0.467 -6.036 1.00 0.00 C ATOM 577 O LYS A 38 6.551 1.586 -5.548 1.00 0.00 O ATOM 578 CB LYS A 38 8.600 -0.465 -6.891 1.00 0.00 C ATOM 579 CG LYS A 38 8.571 -1.950 -6.521 1.00 0.00 C ATOM 580 CD LYS A 38 9.309 -2.806 -7.551 1.00 0.00 C ATOM 581 CE LYS A 38 9.685 -4.175 -6.983 1.00 0.00 C ATOM 582 NZ LYS A 38 10.491 -4.959 -7.911 1.00 0.00 N ATOM 0 H LYS A 38 8.280 1.662 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 38 6.696 -0.732 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.288 -0.313 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.986 0.110 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.025 -2.089 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.537 -2.285 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.681 -2.938 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.210 -2.287 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.236 -4.040 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.777 -4.726 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.385 -5.971 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.173 -4.779 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.491 -4.688 -7.817 1.00 0.00 H new ATOM 596 N PHE A 39 5.675 -0.506 -5.563 1.00 0.00 N ATOM 597 CA PHE A 39 4.872 -0.202 -4.389 1.00 0.00 C ATOM 598 C PHE A 39 4.407 -1.469 -3.673 1.00 0.00 C ATOM 599 O PHE A 39 4.351 -2.552 -4.232 1.00 0.00 O ATOM 600 CB PHE A 39 3.655 0.623 -4.820 1.00 0.00 C ATOM 601 CG PHE A 39 2.587 -0.237 -5.437 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.698 -0.689 -6.774 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.456 -0.603 -4.673 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.685 -1.499 -7.337 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.444 -1.410 -5.233 1.00 0.00 C ATOM 606 CZ PHE A 39 0.558 -1.858 -6.566 1.00 0.00 C ATOM 0 H PHE A 39 5.588 -1.448 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 39 5.489 0.362 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.246 1.146 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.967 1.384 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.559 -0.414 -7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.366 -0.262 -3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.773 -1.843 -8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.417 -1.685 -4.642 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.217 -2.475 -6.996 1.00 0.00 H new ATOM 616 N LEU A 40 4.039 -1.224 -2.406 1.00 0.00 N ATOM 617 CA LEU A 40 3.524 -2.311 -1.595 1.00 0.00 C ATOM 618 C LEU A 40 2.671 -1.720 -0.476 1.00 0.00 C ATOM 619 O LEU A 40 3.115 -0.883 0.300 1.00 0.00 O ATOM 620 CB LEU A 40 4.673 -3.120 -1.014 1.00 0.00 C ATOM 621 CG LEU A 40 5.388 -2.340 0.087 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.660 -2.505 1.422 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.839 -2.800 0.211 1.00 0.00 C ATOM 0 H LEU A 40 4.089 -0.316 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 40 2.916 -2.977 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.294 -4.060 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.380 -3.373 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 40 5.381 -1.283 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.184 -1.942 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.640 -2.131 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.636 -3.560 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.334 -2.234 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.864 -3.862 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.356 -2.633 -0.734 1.00 0.00 H new ATOM 635 N ILE A 41 1.422 -2.208 -0.448 1.00 0.00 N ATOM 636 CA ILE A 41 0.516 -1.724 0.576 1.00 0.00 C ATOM 637 C ILE A 41 0.639 -2.607 1.817 1.00 0.00 C ATOM 638 O ILE A 41 0.994 -3.777 1.748 1.00 0.00 O ATOM 639 CB ILE A 41 -0.911 -1.738 0.042 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.891 -1.304 1.131 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.278 -3.128 -0.472 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.568 0.096 1.653 1.00 0.00 C ATOM 0 H ILE A 41 1.040 -2.901 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 41 0.773 -0.700 0.848 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.974 -1.033 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.906 -1.320 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.859 -2.017 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.301 -3.118 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.598 -3.410 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.198 -3.849 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.286 0.371 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.562 0.105 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.626 0.812 0.833 1.00 0.00 H new ATOM 654 N ARG A 42 0.322 -1.960 2.951 1.00 0.00 N ATOM 655 CA ARG A 42 0.399 -2.679 4.210 1.00 0.00 C ATOM 656 C ARG A 42 -0.901 -2.482 4.987 1.00 0.00 C ATOM 657 O ARG A 42 -1.425 -1.380 5.100 1.00 0.00 O ATOM 658 CB ARG A 42 1.587 -2.161 5.019 1.00 0.00 C ATOM 659 CG ARG A 42 1.545 -2.666 6.462 1.00 0.00 C ATOM 660 CD ARG A 42 2.656 -2.045 7.308 1.00 0.00 C ATOM 661 NE ARG A 42 2.509 -2.442 8.697 1.00 0.00 N ATOM 662 CZ ARG A 42 1.494 -1.924 9.413 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.655 -1.058 8.850 1.00 0.00 N ATOM 664 NH2 ARG A 42 1.330 -2.277 10.684 1.00 0.00 N ATOM 0 H ARG A 42 0.025 -0.986 3.013 1.00 0.00 H new ATOM 0 HA ARG A 42 0.539 -3.743 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.517 -2.480 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.585 -1.071 5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.576 -2.430 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.643 -3.752 6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.629 -2.361 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.621 -0.959 7.227 1.00 0.00 H new ATOM 0 HE ARG A 42 3.162 -3.100 9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.781 -0.786 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.114 -0.666 9.394 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.973 -2.940 11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.561 -1.885 11.227 1.00 0.00 H new ATOM 678 N ALA A 43 -1.381 -3.624 5.509 1.00 0.00 N ATOM 679 CA ALA A 43 -2.614 -3.571 6.274 1.00 0.00 C ATOM 680 C ALA A 43 -2.708 -4.799 7.179 1.00 0.00 C ATOM 681 O ALA A 43 -2.897 -5.922 6.729 1.00 0.00 O ATOM 682 CB ALA A 43 -3.804 -3.518 5.318 1.00 0.00 C ATOM 0 H ALA A 43 -0.952 -4.545 5.417 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.623 -2.676 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.730 -3.478 5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.727 -2.630 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.805 -4.408 4.689 1.00 0.00 H new ATOM 688 N ARG A 44 -2.562 -4.502 8.483 1.00 0.00 N ATOM 689 CA ARG A 44 -2.633 -5.581 9.453 1.00 0.00 C ATOM 690 C ARG A 44 -4.097 -5.864 9.791 1.00 0.00 C ATOM 691 O ARG A 44 -5.004 -5.588 9.015 1.00 0.00 O ATOM 692 CB ARG A 44 -1.859 -5.188 10.710 1.00 0.00 C ATOM 693 CG ARG A 44 -0.363 -5.046 10.433 1.00 0.00 C ATOM 694 CD ARG A 44 0.421 -4.815 11.724 1.00 0.00 C ATOM 695 NE ARG A 44 0.050 -5.805 12.719 1.00 0.00 N ATOM 696 CZ ARG A 44 0.752 -5.865 13.866 1.00 0.00 C ATOM 697 NH1 ARG A 44 1.767 -5.029 14.072 1.00 0.00 N ATOM 698 NH2 ARG A 44 0.430 -6.761 14.795 1.00 0.00 N ATOM 0 H ARG A 44 -2.402 -3.570 8.865 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.187 -6.484 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.248 -4.246 11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.016 -5.940 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.004 -5.945 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.195 -4.214 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.491 -4.873 11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.222 -3.813 12.105 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.728 -6.443 12.552 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.014 -4.341 13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.298 -5.076 14.942 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.348 -7.402 14.638 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.961 -6.807 15.665 1.00 0.00 H new ATOM 712 N ASP A 45 -4.259 -6.430 11.001 1.00 0.00 N ATOM 713 CA ASP A 45 -5.603 -6.750 11.446 1.00 0.00 C ATOM 714 C ASP A 45 -5.605 -6.925 12.963 1.00 0.00 C ATOM 715 O ASP A 45 -5.493 -8.026 13.488 1.00 0.00 O ATOM 716 CB ASP A 45 -6.073 -8.029 10.760 1.00 0.00 C ATOM 717 CG ASP A 45 -7.521 -8.326 11.151 1.00 0.00 C ATOM 718 OD1 ASP A 45 -8.418 -7.677 10.617 1.00 0.00 O ATOM 719 OD2 ASP A 45 -7.735 -9.206 11.984 1.00 0.00 O ATOM 0 H ASP A 45 -3.508 -6.661 11.652 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.284 -5.941 11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.994 -7.922 9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.431 -8.863 11.046 1.00 0.00 H new ATOM 724 N ASN A 46 -5.740 -5.763 13.627 1.00 0.00 N ATOM 725 CA ASN A 46 -5.756 -5.792 15.078 1.00 0.00 C ATOM 726 C ASN A 46 -6.109 -4.403 15.611 1.00 0.00 C ATOM 727 O ASN A 46 -7.032 -4.227 16.395 1.00 0.00 O ATOM 728 CB ASN A 46 -4.387 -6.233 15.592 1.00 0.00 C ATOM 729 CG ASN A 46 -4.406 -6.314 17.119 1.00 0.00 C ATOM 730 OD1 ASN A 46 -4.436 -5.106 17.708 1.00 0.00 O flip ATOM 731 ND2 ASN A 46 -4.394 -7.387 17.711 1.00 0.00 N flip ATOM 0 H ASN A 46 -5.834 -4.842 13.199 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.506 -6.501 15.427 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.126 -7.204 15.171 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.622 -5.528 15.266 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.371 -8.260 17.184 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.407 -7.407 18.731 1.00 0.00 H new ATOM 738 N ASN A 47 -5.309 -3.436 15.126 1.00 0.00 N ATOM 739 CA ASN A 47 -5.536 -2.065 15.553 1.00 0.00 C ATOM 740 C ASN A 47 -4.484 -1.156 14.919 1.00 0.00 C ATOM 741 O ASN A 47 -3.291 -1.435 14.936 1.00 0.00 O ATOM 742 CB ASN A 47 -5.464 -1.986 17.076 1.00 0.00 C ATOM 743 CG ASN A 47 -5.591 -0.529 17.525 1.00 0.00 C ATOM 744 OD1 ASN A 47 -4.710 0.294 17.309 1.00 0.00 O ATOM 745 ND2 ASN A 47 -6.746 -0.275 18.164 1.00 0.00 N ATOM 0 H ASN A 47 -4.540 -3.576 14.471 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.525 -1.736 15.233 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.261 -2.583 17.519 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.520 -2.404 17.427 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.941 0.664 18.511 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.427 -1.021 18.302 1.00 0.00 H new ATOM 752 N GLY A 48 -5.012 -0.052 14.360 1.00 0.00 N ATOM 753 CA GLY A 48 -4.120 0.898 13.722 1.00 0.00 C ATOM 754 C GLY A 48 -4.706 1.396 12.399 1.00 0.00 C ATOM 755 O GLY A 48 -5.874 1.751 12.303 1.00 0.00 O ATOM 0 H GLY A 48 -6.003 0.187 14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.946 1.743 14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.152 0.430 13.542 1.00 0.00 H new ATOM 759 N SER A 49 -3.813 1.393 11.393 1.00 0.00 N ATOM 760 CA SER A 49 -4.246 1.842 10.081 1.00 0.00 C ATOM 761 C SER A 49 -3.303 1.289 9.012 1.00 0.00 C ATOM 762 O SER A 49 -2.209 0.816 9.294 1.00 0.00 O ATOM 763 CB SER A 49 -4.264 3.368 10.044 1.00 0.00 C ATOM 764 OG SER A 49 -2.976 3.886 10.260 1.00 0.00 O ATOM 0 H SER A 49 -2.839 1.099 11.465 1.00 0.00 H new ATOM 0 HA SER A 49 -5.253 1.475 9.881 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.641 3.709 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.946 3.747 10.805 1.00 0.00 H new ATOM 0 HG SER A 49 -3.008 4.865 10.231 1.00 0.00 H new ATOM 770 N TYR A 50 -3.810 1.382 7.770 1.00 0.00 N ATOM 771 CA TYR A 50 -3.016 0.893 6.651 1.00 0.00 C ATOM 772 C TYR A 50 -2.218 2.061 6.073 1.00 0.00 C ATOM 773 O TYR A 50 -2.370 3.204 6.485 1.00 0.00 O ATOM 774 CB TYR A 50 -3.935 0.293 5.576 1.00 0.00 C ATOM 775 CG TYR A 50 -4.930 -0.680 6.154 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.662 -1.349 7.375 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.154 -0.927 5.486 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.606 -2.250 7.919 1.00 0.00 C ATOM 779 CE2 TYR A 50 -7.098 -1.828 6.030 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.823 -2.489 7.246 1.00 0.00 C ATOM 781 OH TYR A 50 -7.745 -3.368 7.778 1.00 0.00 O ATOM 0 H TYR A 50 -4.721 1.773 7.531 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.334 0.114 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.468 1.096 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.329 -0.213 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.731 -1.169 7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.368 -0.424 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.396 -2.755 8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.030 -2.010 5.515 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.528 -3.416 7.190 1.00 0.00 H new ATOM 791 N ALA A 51 -1.359 1.706 5.099 1.00 0.00 N ATOM 792 CA ALA A 51 -0.566 2.758 4.484 1.00 0.00 C ATOM 793 C ALA A 51 0.170 2.230 3.251 1.00 0.00 C ATOM 794 O ALA A 51 0.835 1.202 3.275 1.00 0.00 O ATOM 795 CB ALA A 51 0.423 3.321 5.501 1.00 0.00 C ATOM 0 H ALA A 51 -1.209 0.761 4.746 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.233 3.557 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.015 4.109 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.123 3.731 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.084 2.525 5.844 1.00 0.00 H new ATOM 801 N LEU A 52 -0.001 3.026 2.179 1.00 0.00 N ATOM 802 CA LEU A 52 0.636 2.681 0.915 1.00 0.00 C ATOM 803 C LEU A 52 2.106 3.096 0.949 1.00 0.00 C ATOM 804 O LEU A 52 2.448 4.200 1.334 1.00 0.00 O ATOM 805 CB LEU A 52 -0.091 3.413 -0.211 1.00 0.00 C ATOM 806 CG LEU A 52 0.825 3.693 -1.401 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.502 2.404 -1.871 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.016 4.312 -2.537 1.00 0.00 C ATOM 0 H LEU A 52 -0.557 3.881 2.169 1.00 0.00 H new ATOM 0 HA LEU A 52 0.583 1.605 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.941 2.816 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.490 4.354 0.168 1.00 0.00 H new ATOM 0 HG LEU A 52 1.601 4.393 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.151 2.622 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.096 1.988 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.742 1.683 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.672 4.511 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.771 3.622 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.432 5.246 -2.198 1.00 0.00 H new ATOM 820 N CYS A 53 2.947 2.145 0.501 1.00 0.00 N ATOM 821 CA CYS A 53 4.373 2.434 0.500 1.00 0.00 C ATOM 822 C CYS A 53 4.976 2.130 -0.872 1.00 0.00 C ATOM 823 O CYS A 53 5.041 0.989 -1.310 1.00 0.00 O ATOM 824 CB CYS A 53 5.058 1.592 1.573 1.00 0.00 C ATOM 825 SG CYS A 53 4.353 1.841 3.222 1.00 0.00 S ATOM 0 H CYS A 53 2.676 1.224 0.156 1.00 0.00 H new ATOM 0 HA CYS A 53 4.526 3.492 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.980 0.538 1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.120 1.837 1.597 1.00 0.00 H new ATOM 0 HG CYS A 53 3.080 1.578 3.194 1.00 0.00 H new ATOM 831 N LEU A 54 5.419 3.230 -1.512 1.00 0.00 N ATOM 832 CA LEU A 54 6.035 3.068 -2.825 1.00 0.00 C ATOM 833 C LEU A 54 7.313 3.900 -2.883 1.00 0.00 C ATOM 834 O LEU A 54 7.617 4.666 -1.980 1.00 0.00 O ATOM 835 CB LEU A 54 5.054 3.452 -3.942 1.00 0.00 C ATOM 836 CG LEU A 54 4.454 4.861 -3.799 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.272 4.856 -2.832 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.504 5.873 -3.348 1.00 0.00 C ATOM 0 H LEU A 54 5.364 4.185 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 54 6.293 2.020 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.568 3.384 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.243 2.724 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 54 4.096 5.163 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.866 5.864 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.500 4.183 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.606 4.517 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.045 6.858 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.909 5.571 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.309 5.914 -4.082 1.00 0.00 H new ATOM 850 N LEU A 55 8.059 3.691 -3.986 1.00 0.00 N ATOM 851 CA LEU A 55 9.293 4.449 -4.103 1.00 0.00 C ATOM 852 C LEU A 55 9.307 5.264 -5.390 1.00 0.00 C ATOM 853 O LEU A 55 8.897 4.810 -6.451 1.00 0.00 O ATOM 854 CB LEU A 55 10.473 3.493 -4.072 1.00 0.00 C ATOM 855 CG LEU A 55 11.805 4.248 -4.033 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.397 4.274 -2.631 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.802 3.605 -4.983 1.00 0.00 C ATOM 0 H LEU A 55 7.842 3.051 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 55 9.364 5.143 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.395 2.845 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.444 2.849 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 55 11.605 5.274 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.341 4.818 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.703 4.769 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.572 3.253 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.745 4.151 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.971 2.570 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.407 3.632 -5.998 1.00 0.00 H new ATOM 869 N HIS A 56 9.811 6.501 -5.216 1.00 0.00 N ATOM 870 CA HIS A 56 9.899 7.379 -6.367 1.00 0.00 C ATOM 871 C HIS A 56 11.135 7.004 -7.202 1.00 0.00 C ATOM 872 O HIS A 56 11.119 6.071 -7.991 1.00 0.00 O ATOM 873 CB HIS A 56 9.974 8.830 -5.895 1.00 0.00 C ATOM 874 CG HIS A 56 10.047 9.742 -7.096 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.492 9.456 -8.294 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.678 10.996 -7.193 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.771 10.495 -9.099 1.00 0.00 C ATOM 878 NE2 HIS A 56 10.485 11.437 -8.458 1.00 0.00 N ATOM 0 H HIS A 56 10.144 6.888 -4.333 1.00 0.00 H new ATOM 0 HA HIS A 56 9.014 7.267 -6.993 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.100 9.074 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.849 8.974 -5.261 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.214 11.509 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.461 10.565 -10.131 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.818 12.317 -8.851 1.00 0.00 H new ATOM 886 N GLU A 57 12.204 7.789 -6.970 1.00 0.00 N ATOM 887 CA GLU A 57 13.440 7.535 -7.711 1.00 0.00 C ATOM 888 C GLU A 57 14.594 7.156 -6.767 1.00 0.00 C ATOM 889 O GLU A 57 15.756 7.113 -7.156 1.00 0.00 O ATOM 890 CB GLU A 57 13.801 8.802 -8.459 1.00 0.00 C ATOM 891 CG GLU A 57 12.656 9.272 -9.356 1.00 0.00 C ATOM 892 CD GLU A 57 12.899 8.812 -10.795 1.00 0.00 C ATOM 893 OE1 GLU A 57 13.937 9.161 -11.355 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.048 8.110 -11.339 1.00 0.00 O ATOM 0 H GLU A 57 12.235 8.565 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 57 13.283 6.701 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.051 9.587 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.690 8.627 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.710 8.872 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.577 10.359 -9.321 1.00 0.00 H new ATOM 901 N GLY A 58 14.195 6.890 -5.517 1.00 0.00 N ATOM 902 CA GLY A 58 15.182 6.535 -4.511 1.00 0.00 C ATOM 903 C GLY A 58 14.867 7.213 -3.169 1.00 0.00 C ATOM 904 O GLY A 58 15.744 7.559 -2.388 1.00 0.00 O ATOM 0 H GLY A 58 13.228 6.914 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.201 5.453 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.175 6.833 -4.849 1.00 0.00 H new ATOM 908 N LYS A 59 13.549 7.370 -2.981 1.00 0.00 N ATOM 909 CA LYS A 59 13.050 7.969 -1.778 1.00 0.00 C ATOM 910 C LYS A 59 11.723 7.291 -1.506 1.00 0.00 C ATOM 911 O LYS A 59 10.697 7.603 -2.101 1.00 0.00 O ATOM 912 CB LYS A 59 12.862 9.468 -1.964 1.00 0.00 C ATOM 913 CG LYS A 59 14.055 10.106 -2.673 1.00 0.00 C ATOM 914 CD LYS A 59 13.932 9.999 -4.194 1.00 0.00 C ATOM 915 CE LYS A 59 14.385 11.287 -4.884 1.00 0.00 C ATOM 916 NZ LYS A 59 15.739 11.674 -4.507 1.00 0.00 N ATOM 0 H LYS A 59 12.832 7.088 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 59 13.743 7.842 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.956 9.652 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.722 9.940 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.130 11.155 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.975 9.620 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.533 9.163 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.897 9.785 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.336 11.153 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.696 12.093 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.088 12.401 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.734 12.055 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.362 10.842 -4.549 1.00 0.00 H new ATOM 930 N VAL A 60 11.819 6.338 -0.584 1.00 0.00 N ATOM 931 CA VAL A 60 10.630 5.584 -0.267 1.00 0.00 C ATOM 932 C VAL A 60 9.616 6.499 0.393 1.00 0.00 C ATOM 933 O VAL A 60 9.941 7.393 1.164 1.00 0.00 O ATOM 934 CB VAL A 60 10.972 4.437 0.674 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.982 4.933 2.114 1.00 0.00 C ATOM 936 CG2 VAL A 60 9.955 3.308 0.532 1.00 0.00 C ATOM 0 H VAL A 60 12.664 6.084 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 60 10.211 5.174 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 60 11.960 4.058 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.227 4.107 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.727 5.721 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.998 5.327 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.215 2.497 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.960 3.681 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.962 2.939 -0.493 1.00 0.00 H new ATOM 946 N LEU A 61 8.370 6.186 0.048 1.00 0.00 N ATOM 947 CA LEU A 61 7.285 6.965 0.591 1.00 0.00 C ATOM 948 C LEU A 61 6.252 6.080 1.228 1.00 0.00 C ATOM 949 O LEU A 61 6.206 4.868 1.051 1.00 0.00 O ATOM 950 CB LEU A 61 6.641 7.796 -0.508 1.00 0.00 C ATOM 951 CG LEU A 61 7.710 8.492 -1.323 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.090 9.413 -2.368 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.609 9.268 -0.376 1.00 0.00 C ATOM 0 H LEU A 61 8.102 5.428 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 61 7.692 7.626 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.038 7.157 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.967 8.533 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 61 8.300 7.751 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.881 9.900 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.463 8.829 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.482 10.170 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.386 9.776 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.016 10.005 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.071 8.580 0.333 1.00 0.00 H new ATOM 965 N HIS A 62 5.422 6.800 1.975 1.00 0.00 N ATOM 966 CA HIS A 62 4.350 6.118 2.676 1.00 0.00 C ATOM 967 C HIS A 62 3.122 7.030 2.698 1.00 0.00 C ATOM 968 O HIS A 62 3.223 8.236 2.842 1.00 0.00 O ATOM 969 CB HIS A 62 4.795 5.762 4.102 1.00 0.00 C ATOM 970 CG HIS A 62 6.135 5.049 4.069 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.288 3.709 4.159 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.412 5.625 3.932 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.611 3.471 4.080 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.308 4.612 3.942 1.00 0.00 N ATOM 0 H HIS A 62 5.467 7.811 2.106 1.00 0.00 H new ATOM 0 HA HIS A 62 4.099 5.189 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.871 6.667 4.704 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.048 5.126 4.576 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.548 3.015 4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.634 6.678 3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.056 2.488 4.122 1.00 0.00 H new ATOM 982 N TYR A 63 1.961 6.378 2.529 1.00 0.00 N ATOM 983 CA TYR A 63 0.733 7.136 2.531 1.00 0.00 C ATOM 984 C TYR A 63 -0.273 6.447 3.445 1.00 0.00 C ATOM 985 O TYR A 63 -0.650 5.306 3.228 1.00 0.00 O ATOM 986 CB TYR A 63 0.182 7.177 1.114 1.00 0.00 C ATOM 987 CG TYR A 63 1.010 8.044 0.211 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.089 9.446 0.412 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.729 7.461 -0.860 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.877 10.240 -0.446 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.514 8.256 -1.715 1.00 0.00 C ATOM 992 CZ TYR A 63 2.589 9.648 -1.510 1.00 0.00 C ATOM 993 OH TYR A 63 3.359 10.430 -2.347 1.00 0.00 O ATOM 0 H TYR A 63 1.861 5.372 2.396 1.00 0.00 H new ATOM 0 HA TYR A 63 0.916 8.150 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.145 6.165 0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.842 7.550 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.545 9.906 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.674 6.395 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.936 11.307 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.059 7.800 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 63 4.114 9.904 -2.683 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.695 7.211 4.466 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.658 6.634 5.389 1.00 0.00 C ATOM 1005 C ARG A 64 -2.958 6.358 4.645 1.00 0.00 C ATOM 1006 O ARG A 64 -3.435 7.160 3.852 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.914 7.570 6.566 1.00 0.00 C ATOM 1008 CG ARG A 64 -1.584 9.028 6.234 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.234 9.991 7.228 1.00 0.00 C ATOM 1010 NE ARG A 64 -2.007 11.366 6.820 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.886 11.990 7.232 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -0.010 11.350 8.002 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -0.655 13.248 6.869 1.00 0.00 N ATOM 0 H ARG A 64 -0.402 8.169 4.659 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.255 5.702 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.960 7.496 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.315 7.250 7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.503 9.169 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.927 9.259 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.304 9.794 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.823 9.828 8.224 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.684 11.851 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.186 10.385 8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.838 11.824 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.326 13.740 6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.193 13.721 7.180 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.492 5.169 4.959 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.732 4.777 4.314 1.00 0.00 C ATOM 1029 C ILE A 65 -5.757 4.295 5.339 1.00 0.00 C ATOM 1030 O ILE A 65 -5.561 3.310 6.040 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.436 3.661 3.325 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.831 4.228 2.051 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.704 2.870 3.001 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.911 3.207 1.403 1.00 0.00 C ATOM 0 H ILE A 65 -3.102 4.499 5.622 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.151 5.641 3.799 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.717 2.983 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.624 4.506 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.274 5.137 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.467 2.077 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.103 2.431 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.447 3.537 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.485 3.627 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.108 2.951 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.479 2.310 1.158 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.863 5.059 5.367 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.942 4.692 6.257 1.00 0.00 C ATOM 1048 C ASP A 66 -9.252 5.150 5.645 1.00 0.00 C ATOM 1049 O ASP A 66 -9.294 5.809 4.617 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.759 5.335 7.618 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.703 4.684 8.631 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.651 3.465 8.783 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.478 5.405 9.258 1.00 0.00 O ATOM 0 H ASP A 66 -7.018 5.896 4.805 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.945 3.610 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.726 5.224 7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.960 6.404 7.555 1.00 0.00 H new ATOM 1058 N LYS A 67 -10.308 4.788 6.373 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.628 5.141 5.899 1.00 0.00 C ATOM 1060 C LYS A 67 -12.033 6.501 6.464 1.00 0.00 C ATOM 1061 O LYS A 67 -11.204 7.351 6.768 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.617 4.064 6.335 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.623 3.907 7.851 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.994 2.582 8.283 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.889 1.395 7.929 1.00 0.00 C ATOM 1066 NZ LYS A 67 -12.252 0.115 8.214 1.00 0.00 N ATOM 0 H LYS A 67 -10.274 4.274 7.253 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.627 5.207 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.618 4.323 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.354 3.114 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.078 4.734 8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.648 3.961 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.024 2.464 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.815 2.596 9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.821 1.467 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.148 1.441 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.898 -0.659 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.375 0.033 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.028 0.057 9.228 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.364 6.639 6.581 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.896 7.882 7.105 1.00 0.00 C ATOM 1082 C ASP A 68 -15.134 7.572 7.938 1.00 0.00 C ATOM 1083 O ASP A 68 -16.196 8.158 7.766 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.254 8.797 5.942 1.00 0.00 C ATOM 1085 CG ASP A 68 -13.205 9.902 5.804 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -12.020 9.607 5.945 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -13.586 11.046 5.557 1.00 0.00 O ATOM 0 H ASP A 68 -14.055 5.933 6.329 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.158 8.381 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.310 8.220 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.238 9.237 6.104 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.920 6.607 8.848 1.00 0.00 N ATOM 1093 CA LYS A 69 -16.030 6.185 9.693 1.00 0.00 C ATOM 1094 C LYS A 69 -17.277 5.944 8.837 1.00 0.00 C ATOM 1095 O LYS A 69 -18.411 6.099 9.273 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.293 7.239 10.764 1.00 0.00 C ATOM 1097 CG LYS A 69 -15.066 7.443 11.650 1.00 0.00 C ATOM 1098 CD LYS A 69 -14.323 6.127 11.878 1.00 0.00 C ATOM 1099 CE LYS A 69 -13.191 6.287 12.893 1.00 0.00 C ATOM 1100 NZ LYS A 69 -12.467 5.041 13.117 1.00 0.00 N ATOM 0 H LYS A 69 -14.033 6.130 9.008 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.774 5.249 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.564 8.183 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.141 6.935 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.396 8.166 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.372 7.861 12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.023 5.370 12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.916 5.770 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.496 7.050 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.602 6.641 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.710 5.200 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.122 4.319 13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.052 4.715 12.221 1.00 0.00 H new ATOM 1114 N THR A 70 -16.968 5.553 7.593 1.00 0.00 N ATOM 1115 CA THR A 70 -18.004 5.255 6.645 1.00 0.00 C ATOM 1116 C THR A 70 -17.968 3.755 6.336 1.00 0.00 C ATOM 1117 O THR A 70 -18.974 3.128 6.025 1.00 0.00 O ATOM 1118 CB THR A 70 -17.709 6.052 5.385 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.371 7.291 5.441 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.118 5.300 4.130 1.00 0.00 C ATOM 0 H THR A 70 -16.017 5.442 7.241 1.00 0.00 H new ATOM 0 HA THR A 70 -18.989 5.514 7.033 1.00 0.00 H new ATOM 0 HB THR A 70 -16.632 6.211 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.177 7.803 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.890 5.905 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.570 4.359 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.188 5.095 4.161 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.728 3.235 6.447 1.00 0.00 N ATOM 1129 CA GLY A 71 -16.532 1.833 6.169 1.00 0.00 C ATOM 1130 C GLY A 71 -15.651 1.599 4.933 1.00 0.00 C ATOM 1131 O GLY A 71 -15.118 0.517 4.717 1.00 0.00 O ATOM 0 H GLY A 71 -15.892 3.754 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.074 1.354 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.501 1.357 6.017 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.539 2.681 4.146 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.737 2.586 2.939 1.00 0.00 C ATOM 1137 C LYS A 72 -13.342 3.128 3.221 1.00 0.00 C ATOM 1138 O LYS A 72 -13.170 4.120 3.912 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.400 3.380 1.816 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.851 2.951 1.599 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.496 3.727 0.450 1.00 0.00 C ATOM 1142 CE LYS A 72 -19.020 3.605 0.475 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.651 4.286 -0.649 1.00 0.00 N ATOM 0 H LYS A 72 -15.975 3.587 4.320 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.659 1.544 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.367 4.443 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.838 3.242 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.888 1.883 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.421 3.113 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.213 4.778 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.116 3.353 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.298 2.551 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.400 4.021 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.683 4.175 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.410 5.297 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.311 3.873 -1.541 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.363 2.429 2.621 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.994 2.851 2.828 1.00 0.00 C ATOM 1159 C LEU A 73 -10.716 4.044 1.924 1.00 0.00 C ATOM 1160 O LEU A 73 -11.383 4.262 0.923 1.00 0.00 O ATOM 1161 CB LEU A 73 -10.049 1.701 2.490 1.00 0.00 C ATOM 1162 CG LEU A 73 -10.098 0.587 3.536 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -9.187 -0.567 3.120 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.680 1.120 4.909 1.00 0.00 C ATOM 0 H LEU A 73 -12.495 1.614 2.022 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.838 3.135 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.311 1.292 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.030 2.081 2.413 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.123 0.221 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.230 -1.354 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.518 -0.964 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.162 -0.207 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.721 0.313 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.663 1.509 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.358 1.918 5.211 1.00 0.00 H new ATOM 1176 N SER A 74 -9.696 4.802 2.346 1.00 0.00 N ATOM 1177 CA SER A 74 -9.350 5.969 1.562 1.00 0.00 C ATOM 1178 C SER A 74 -8.034 6.564 2.052 1.00 0.00 C ATOM 1179 O SER A 74 -7.308 5.984 2.851 1.00 0.00 O ATOM 1180 CB SER A 74 -10.470 6.999 1.685 1.00 0.00 C ATOM 1181 OG SER A 74 -10.724 7.295 3.035 1.00 0.00 O ATOM 0 H SER A 74 -9.131 4.635 3.178 1.00 0.00 H new ATOM 0 HA SER A 74 -9.228 5.682 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.194 7.910 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.376 6.617 1.214 1.00 0.00 H new ATOM 0 HG SER A 74 -10.019 6.905 3.594 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.792 7.766 1.507 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.581 8.479 1.864 1.00 0.00 C ATOM 1189 C ILE A 75 -6.906 9.973 1.916 1.00 0.00 C ATOM 1190 O ILE A 75 -7.672 10.490 1.113 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.511 8.203 0.808 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.094 6.733 0.832 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.287 9.097 1.016 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -3.925 6.473 -0.121 1.00 0.00 C ATOM 0 H ILE A 75 -8.401 8.242 0.842 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.207 8.152 2.834 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.942 8.431 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.810 6.449 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.941 6.107 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.543 8.879 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.584 10.143 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.861 8.907 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.651 5.419 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.219 6.734 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.071 7.081 0.177 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.283 10.643 2.910 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.467 12.066 3.108 1.00 0.00 C ATOM 1208 C PRO A 76 -6.239 12.842 1.812 1.00 0.00 C ATOM 1209 O PRO A 76 -7.151 13.420 1.232 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.437 12.470 4.167 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.770 11.176 4.664 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.351 10.026 3.835 1.00 0.00 C ATOM 0 HA PRO A 76 -7.486 12.292 3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.696 13.148 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.918 12.997 4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.688 11.229 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.966 11.024 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.565 9.492 3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.855 9.299 4.472 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.962 12.809 1.408 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.600 13.494 0.178 1.00 0.00 C ATOM 1222 C GLU A 77 -4.931 12.612 -1.035 1.00 0.00 C ATOM 1223 O GLU A 77 -5.307 13.094 -2.097 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.111 13.821 0.209 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.715 14.500 1.520 1.00 0.00 C ATOM 1226 CD GLU A 77 -3.396 15.867 1.621 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -3.313 16.636 0.665 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -4.001 16.145 2.655 1.00 0.00 O ATOM 0 H GLU A 77 -4.200 12.337 1.894 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.170 14.419 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.533 12.905 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.863 14.472 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.004 13.876 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.632 14.618 1.567 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.766 11.293 -0.802 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.037 10.353 -1.876 1.00 0.00 C ATOM 1237 C GLY A 78 -6.463 10.510 -2.413 1.00 0.00 C ATOM 1238 O GLY A 78 -6.861 11.564 -2.893 1.00 0.00 O ATOM 0 H GLY A 78 -4.461 10.882 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.323 10.508 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.893 9.335 -1.515 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.198 9.386 -2.295 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.568 9.395 -2.775 1.00 0.00 C ATOM 1244 C LYS A 79 -9.481 8.689 -1.770 1.00 0.00 C ATOM 1245 O LYS A 79 -9.352 8.823 -0.561 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.617 8.689 -4.129 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.764 9.200 -4.998 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.303 10.342 -5.904 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.344 10.668 -6.976 1.00 0.00 C ATOM 1250 NZ LYS A 79 -9.905 11.734 -7.868 1.00 0.00 N ATOM 0 H LYS A 79 -6.875 8.507 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.916 10.422 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.672 8.839 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.729 7.616 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.154 8.384 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.581 9.543 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.111 11.230 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.361 10.071 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.554 9.772 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.278 10.961 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.643 11.919 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.730 12.598 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.028 11.446 -8.348 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.405 7.932 -2.379 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.366 7.178 -1.581 1.00 0.00 C ATOM 1266 C LYS A 80 -11.777 5.923 -2.354 1.00 0.00 C ATOM 1267 O LYS A 80 -12.191 5.986 -3.505 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.586 8.049 -1.285 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.314 9.034 -0.148 1.00 0.00 C ATOM 1270 CD LYS A 80 -13.528 9.919 0.133 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.276 10.858 1.313 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.457 11.638 1.664 1.00 0.00 N ATOM 0 H LYS A 80 -10.502 7.830 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.915 6.884 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.868 8.599 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.432 7.414 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.047 8.484 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.459 9.659 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.766 10.505 -0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.395 9.293 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.959 10.274 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.457 11.534 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.236 12.259 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.746 12.216 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.232 10.996 1.925 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.632 4.782 -1.649 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.970 3.532 -2.289 1.00 0.00 C ATOM 1288 C PHE A 81 -12.721 2.604 -1.331 1.00 0.00 C ATOM 1289 O PHE A 81 -12.887 2.872 -0.144 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.678 2.874 -2.724 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.071 3.595 -3.889 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.501 3.310 -5.207 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -9.065 4.571 -3.683 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.931 3.990 -6.307 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.495 5.250 -4.784 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.928 4.960 -6.096 1.00 0.00 C ATOM 0 H PHE A 81 -11.300 4.716 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.621 3.724 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.974 2.863 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.868 1.835 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.269 2.569 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.732 4.797 -2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.263 3.767 -7.310 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.727 5.992 -4.621 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.492 5.480 -6.937 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.144 1.480 -1.942 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.872 0.491 -1.169 1.00 0.00 C ATOM 1308 C ASP A 82 -12.895 -0.295 -0.299 1.00 0.00 C ATOM 1309 O ASP A 82 -13.065 -0.421 0.908 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.617 -0.448 -2.114 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.273 -1.576 -1.315 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.845 -1.295 -0.263 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.202 -2.724 -1.753 1.00 0.00 O ATOM 0 H ASP A 82 -12.997 1.252 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.597 0.988 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.375 0.106 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.926 -0.864 -2.847 1.00 0.00 H new ATOM 1318 N THR A 83 -11.861 -0.814 -0.990 1.00 0.00 N ATOM 1319 CA THR A 83 -10.873 -1.579 -0.271 1.00 0.00 C ATOM 1320 C THR A 83 -9.515 -1.308 -0.894 1.00 0.00 C ATOM 1321 O THR A 83 -9.391 -0.643 -1.915 1.00 0.00 O ATOM 1322 CB THR A 83 -11.217 -3.065 -0.348 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.227 -3.472 -1.694 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.573 -3.368 0.289 1.00 0.00 C ATOM 0 H THR A 83 -11.707 -0.716 -1.993 1.00 0.00 H new ATOM 0 HA THR A 83 -10.855 -1.290 0.780 1.00 0.00 H new ATOM 0 HB THR A 83 -10.458 -3.616 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.446 -4.426 -1.746 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.780 -4.435 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.555 -3.075 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.352 -2.810 -0.230 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.510 -1.867 -0.215 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.173 -1.699 -0.685 1.00 0.00 C ATOM 1334 C LEU A 84 -6.960 -2.336 -2.056 1.00 0.00 C ATOM 1335 O LEU A 84 -5.899 -2.237 -2.648 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.299 -2.389 0.330 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.622 -1.416 1.282 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.601 -2.162 2.132 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.961 -0.278 0.507 1.00 0.00 C ATOM 0 H LEU A 84 -8.611 -2.421 0.636 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.941 -0.640 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.902 -3.092 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.538 -2.972 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.373 -0.977 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.116 -1.464 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.104 -2.940 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.851 -2.617 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.482 0.408 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.212 -0.687 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.717 0.258 -0.067 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.028 -2.982 -2.507 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.958 -3.636 -3.800 1.00 0.00 C ATOM 1353 C TRP A 85 -8.303 -2.649 -4.891 1.00 0.00 C ATOM 1354 O TRP A 85 -7.844 -2.737 -6.023 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.967 -4.771 -3.822 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.258 -6.083 -4.046 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.640 -6.471 -5.232 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.087 -7.145 -3.107 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.098 -7.716 -5.073 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.350 -8.172 -3.774 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.487 -7.308 -1.787 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.024 -9.348 -3.110 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.160 -8.505 -1.100 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -7.428 -9.526 -1.763 1.00 0.00 C ATOM 0 H TRP A 85 -8.919 -3.065 -2.017 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.951 -4.018 -3.966 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.515 -4.800 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.699 -4.603 -4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.596 -5.881 -6.136 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.589 -8.233 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.043 -6.529 -1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.466 -10.122 -3.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -8.467 -8.640 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.179 -10.438 -1.241 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.143 -1.707 -4.468 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.564 -0.712 -5.420 1.00 0.00 C ATOM 1377 C GLN A 86 -8.604 0.450 -5.387 1.00 0.00 C ATOM 1378 O GLN A 86 -8.206 0.978 -6.406 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.992 -0.263 -5.119 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.960 -1.446 -5.099 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.875 -2.210 -6.421 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.463 -1.684 -7.448 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.291 -3.485 -6.319 1.00 0.00 N ATOM 0 H GLN A 86 -9.522 -1.620 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.557 -1.138 -6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.019 0.246 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.313 0.459 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.719 -2.110 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.978 -1.091 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.620 -3.844 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.278 -4.093 -7.138 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.239 0.813 -4.163 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.304 1.910 -4.075 1.00 0.00 C ATOM 1394 C LEU A 87 -5.964 1.501 -4.681 1.00 0.00 C ATOM 1395 O LEU A 87 -5.212 2.332 -5.165 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.136 2.341 -2.623 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.040 3.394 -2.474 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.175 4.116 -1.135 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.661 2.743 -2.592 1.00 0.00 C ATOM 0 H LEU A 87 -8.550 0.398 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.692 2.758 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.079 2.741 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.893 1.473 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.149 4.126 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.387 4.863 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.147 4.606 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.087 3.395 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.889 3.505 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.544 1.994 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.566 2.266 -3.567 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.717 0.177 -4.646 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.483 -0.294 -5.190 1.00 0.00 C ATOM 1413 C VAL A 88 -4.591 -0.413 -6.691 1.00 0.00 C ATOM 1414 O VAL A 88 -3.748 0.061 -7.425 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.167 -1.655 -4.620 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.214 -2.369 -5.557 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.568 -1.529 -3.223 1.00 0.00 C ATOM 0 H VAL A 88 -6.338 -0.535 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.694 0.413 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.085 -2.235 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.978 -3.354 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.680 -2.479 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.297 -1.788 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.348 -2.522 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.648 -0.946 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.279 -1.029 -2.566 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.662 -1.112 -7.097 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.812 -1.312 -8.522 1.00 0.00 C ATOM 1429 C GLU A 89 -5.953 0.022 -9.219 1.00 0.00 C ATOM 1430 O GLU A 89 -5.363 0.278 -10.261 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.007 -2.188 -8.797 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.310 -1.553 -8.351 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.073 -1.014 -9.563 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.636 -1.816 -10.306 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.095 0.201 -9.750 1.00 0.00 O ATOM 0 H GLU A 89 -6.382 -1.517 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.924 -1.811 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.058 -2.402 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.879 -3.142 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.920 -2.287 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.108 -0.744 -7.649 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.772 0.851 -8.574 1.00 0.00 N ATOM 1443 CA HIS A 90 -6.985 2.160 -9.159 1.00 0.00 C ATOM 1444 C HIS A 90 -5.658 2.831 -9.357 1.00 0.00 C ATOM 1445 O HIS A 90 -5.279 3.238 -10.440 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.847 3.019 -8.251 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.490 4.114 -9.066 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.727 4.030 -9.601 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -7.948 5.366 -9.409 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.939 5.187 -10.251 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -8.879 6.010 -10.150 1.00 0.00 N ATOM 0 H HIS A 90 -7.267 0.654 -7.704 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.495 2.039 -10.115 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.613 2.408 -7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.240 3.451 -7.455 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.974 5.742 -9.133 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.846 5.426 -10.787 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.794 6.942 -10.555 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.001 2.927 -8.218 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.701 3.552 -8.222 1.00 0.00 C ATOM 1461 C TYR A 91 -2.756 2.782 -9.143 1.00 0.00 C ATOM 1462 O TYR A 91 -1.780 3.320 -9.647 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.164 3.628 -6.809 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.669 4.873 -6.123 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.966 5.373 -6.414 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.866 5.559 -5.180 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.450 6.533 -5.773 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.355 6.724 -4.539 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.645 7.206 -4.834 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.118 8.340 -4.205 1.00 0.00 O ATOM 0 H TYR A 91 -5.332 2.594 -7.313 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.784 4.569 -8.605 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.471 2.745 -6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.074 3.631 -6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.588 4.860 -7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.877 5.193 -4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.438 6.905 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.737 7.244 -3.822 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.321 8.134 -3.269 1.00 0.00 H new ATOM 1480 N SER A 92 -3.099 1.489 -9.339 1.00 0.00 N ATOM 1481 CA SER A 92 -2.281 0.713 -10.253 1.00 0.00 C ATOM 1482 C SER A 92 -2.325 1.363 -11.641 1.00 0.00 C ATOM 1483 O SER A 92 -1.539 1.064 -12.533 1.00 0.00 O ATOM 1484 CB SER A 92 -2.853 -0.680 -10.324 1.00 0.00 C ATOM 1485 OG SER A 92 -1.838 -1.651 -10.290 1.00 0.00 O ATOM 0 H SER A 92 -3.882 1.001 -8.904 1.00 0.00 H new ATOM 0 HA SER A 92 -1.247 0.676 -9.910 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.538 -0.837 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.434 -0.790 -11.239 1.00 0.00 H new ATOM 0 HG SER A 92 -2.238 -2.544 -10.336 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.308 2.273 -11.737 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.517 2.985 -12.972 1.00 0.00 C ATOM 1493 C TYR A 93 -2.678 4.242 -12.954 1.00 0.00 C ATOM 1494 O TYR A 93 -1.841 4.488 -13.809 1.00 0.00 O ATOM 1495 CB TYR A 93 -4.985 3.386 -13.072 1.00 0.00 C ATOM 1496 CG TYR A 93 -5.918 2.217 -12.907 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.449 0.888 -13.057 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.280 2.439 -12.595 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.333 -0.204 -12.898 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.165 1.348 -12.436 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.691 0.026 -12.588 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.554 -1.039 -12.434 1.00 0.00 O ATOM 0 H TYR A 93 -3.949 2.518 -10.982 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.241 2.354 -13.817 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.206 4.133 -12.310 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.164 3.855 -14.039 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.411 0.708 -13.294 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.646 3.448 -12.478 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.969 -1.214 -13.014 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.203 1.525 -12.198 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.375 -0.734 -11.995 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.031 5.029 -11.929 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.372 6.279 -11.711 1.00 0.00 C ATOM 1514 C LYS A 94 -1.950 6.436 -10.267 1.00 0.00 C ATOM 1515 O LYS A 94 -2.132 5.579 -9.415 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.373 7.361 -11.999 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.696 7.090 -11.267 1.00 0.00 C ATOM 1518 CD LYS A 94 -5.773 8.102 -11.652 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.550 7.643 -12.887 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.538 8.625 -13.318 1.00 0.00 N ATOM 0 H LYS A 94 -3.764 4.807 -11.256 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.488 6.331 -12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.972 8.326 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.552 7.421 -13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.042 6.083 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.530 7.127 -10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.461 8.240 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.312 9.070 -11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.852 7.452 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.050 6.700 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.038 8.269 -14.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.221 8.789 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.060 9.518 -13.553 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.379 7.619 -10.084 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.943 8.000 -8.756 1.00 0.00 C ATOM 1536 C ALA A 95 -2.152 8.539 -7.986 1.00 0.00 C ATOM 1537 O ALA A 95 -2.392 8.199 -6.836 1.00 0.00 O ATOM 1538 CB ALA A 95 0.147 9.064 -8.862 1.00 0.00 C ATOM 0 H ALA A 95 -1.212 8.310 -10.816 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.531 7.140 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.475 9.350 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.993 8.664 -9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.248 9.939 -9.379 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.903 9.392 -8.711 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.090 9.981 -8.094 1.00 0.00 C ATOM 1546 C ASP A 96 -3.708 11.031 -7.049 1.00 0.00 C ATOM 1547 O ASP A 96 -4.534 11.780 -6.541 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.918 8.885 -7.457 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.294 8.806 -8.125 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.758 9.822 -8.640 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.887 7.729 -8.119 1.00 0.00 O ATOM 0 H ASP A 96 -2.717 9.673 -9.674 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.674 10.481 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.404 7.929 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.034 9.080 -6.391 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.410 11.019 -6.779 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.873 11.951 -5.807 1.00 0.00 C ATOM 1558 C GLY A 97 -0.472 11.532 -5.339 1.00 0.00 C ATOM 1559 O GLY A 97 0.337 12.354 -4.926 1.00 0.00 O ATOM 0 H GLY A 97 -1.729 10.392 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.828 12.949 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.542 12.009 -4.949 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.238 10.205 -5.433 1.00 0.00 N ATOM 1564 CA LEU A 98 1.055 9.704 -5.021 1.00 0.00 C ATOM 1565 C LEU A 98 2.138 10.548 -5.672 1.00 0.00 C ATOM 1566 O LEU A 98 1.872 11.478 -6.424 1.00 0.00 O ATOM 1567 CB LEU A 98 1.219 8.265 -5.497 1.00 0.00 C ATOM 1568 CG LEU A 98 0.038 7.395 -5.110 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.100 6.066 -5.843 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.026 7.185 -3.598 1.00 0.00 C ATOM 0 H LEU A 98 -0.900 9.507 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 98 1.133 9.749 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.337 8.254 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.131 7.846 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.887 7.895 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.753 5.452 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.075 6.242 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.023 5.549 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.824 6.560 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.950 6.696 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.057 8.150 -3.097 1.00 0.00 H new ATOM 1582 N LEU A 99 3.375 10.155 -5.342 1.00 0.00 N ATOM 1583 CA LEU A 99 4.492 10.841 -5.957 1.00 0.00 C ATOM 1584 C LEU A 99 4.478 10.492 -7.450 1.00 0.00 C ATOM 1585 O LEU A 99 4.691 11.328 -8.319 1.00 0.00 O ATOM 1586 CB LEU A 99 5.792 10.386 -5.303 1.00 0.00 C ATOM 1587 CG LEU A 99 6.841 11.497 -5.281 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.160 11.959 -6.700 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.357 12.675 -4.431 1.00 0.00 C ATOM 0 H LEU A 99 3.610 9.407 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 99 4.414 11.920 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.590 10.058 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.187 9.525 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 99 7.753 11.101 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.909 12.750 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.546 11.119 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.253 12.338 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.117 13.457 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.432 13.070 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.178 12.338 -3.410 1.00 0.00 H new ATOM 1601 N ARG A 100 4.202 9.187 -7.665 1.00 0.00 N ATOM 1602 CA ARG A 100 4.120 8.684 -9.017 1.00 0.00 C ATOM 1603 C ARG A 100 3.227 7.440 -9.018 1.00 0.00 C ATOM 1604 O ARG A 100 3.057 6.769 -8.008 1.00 0.00 O ATOM 1605 CB ARG A 100 5.516 8.332 -9.501 1.00 0.00 C ATOM 1606 CG ARG A 100 5.575 8.227 -11.026 1.00 0.00 C ATOM 1607 CD ARG A 100 5.560 9.606 -11.684 1.00 0.00 C ATOM 1608 NE ARG A 100 5.724 9.481 -13.121 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.779 10.602 -13.865 1.00 0.00 C ATOM 1610 NH1 ARG A 100 5.680 11.794 -13.283 1.00 0.00 N ATOM 1611 NH2 ARG A 100 5.932 10.517 -15.184 1.00 0.00 N ATOM 0 H ARG A 100 4.040 8.496 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 100 3.696 9.436 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.221 9.090 -9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.827 7.386 -9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.478 7.692 -11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.728 7.643 -11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.621 10.112 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.360 10.222 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 100 5.796 8.562 -13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.562 11.860 -12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.722 12.642 -13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.008 9.603 -15.631 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.974 11.366 -15.748 1.00 0.00 H new ATOM 1625 N VAL A 101 2.672 7.184 -10.213 1.00 0.00 N ATOM 1626 CA VAL A 101 1.813 6.038 -10.359 1.00 0.00 C ATOM 1627 C VAL A 101 2.523 4.786 -9.844 1.00 0.00 C ATOM 1628 O VAL A 101 3.678 4.806 -9.439 1.00 0.00 O ATOM 1629 CB VAL A 101 1.532 5.858 -11.835 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.361 4.930 -12.035 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.267 7.205 -12.512 1.00 0.00 C ATOM 0 H VAL A 101 2.806 7.744 -11.055 1.00 0.00 H new ATOM 0 HA VAL A 101 0.893 6.187 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 101 2.414 5.415 -12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.170 4.810 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.587 3.959 -11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.522 5.350 -11.553 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.068 7.047 -13.572 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.404 7.682 -12.048 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.140 7.847 -12.399 1.00 0.00 H new ATOM 1641 N LEU A 102 1.736 3.704 -9.902 1.00 0.00 N ATOM 1642 CA LEU A 102 2.261 2.409 -9.513 1.00 0.00 C ATOM 1643 C LEU A 102 2.569 1.641 -10.778 1.00 0.00 C ATOM 1644 O LEU A 102 2.100 1.957 -11.864 1.00 0.00 O ATOM 1645 CB LEU A 102 1.230 1.647 -8.706 1.00 0.00 C ATOM 1646 CG LEU A 102 1.116 2.153 -7.271 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.140 3.675 -7.208 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.166 1.625 -6.634 1.00 0.00 C ATOM 0 H LEU A 102 0.763 3.706 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 102 3.155 2.535 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.259 1.729 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.493 0.589 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 102 1.979 1.783 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.057 3.998 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.077 4.042 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.304 4.076 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.241 1.990 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.026 1.972 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.148 0.535 -6.630 1.00 0.00 H new ATOM 1660 N THR A 103 3.388 0.619 -10.562 1.00 0.00 N ATOM 1661 CA THR A 103 3.775 -0.181 -11.694 1.00 0.00 C ATOM 1662 C THR A 103 4.071 -1.619 -11.267 1.00 0.00 C ATOM 1663 O THR A 103 3.769 -2.575 -11.971 1.00 0.00 O ATOM 1664 CB THR A 103 5.010 0.480 -12.307 1.00 0.00 C ATOM 1665 OG1 THR A 103 4.698 0.962 -13.589 1.00 0.00 O ATOM 1666 CG2 THR A 103 6.201 -0.464 -12.388 1.00 0.00 C ATOM 0 H THR A 103 3.775 0.342 -9.660 1.00 0.00 H new ATOM 0 HA THR A 103 2.969 -0.233 -12.426 1.00 0.00 H new ATOM 0 HB THR A 103 5.297 1.303 -11.652 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.490 1.387 -13.980 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.049 0.058 -12.831 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.466 -0.802 -11.386 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.942 -1.324 -13.005 1.00 0.00 H new ATOM 1674 N VAL A 104 4.679 -1.704 -10.072 1.00 0.00 N ATOM 1675 CA VAL A 104 5.068 -3.036 -9.598 1.00 0.00 C ATOM 1676 C VAL A 104 4.929 -3.187 -8.087 1.00 0.00 C ATOM 1677 O VAL A 104 5.117 -2.248 -7.333 1.00 0.00 O ATOM 1678 CB VAL A 104 6.549 -3.223 -9.928 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.086 -4.541 -9.368 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.803 -3.172 -11.436 1.00 0.00 C ATOM 0 H VAL A 104 4.899 -0.923 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 104 4.417 -3.766 -10.078 1.00 0.00 H new ATOM 0 HB VAL A 104 7.078 -2.396 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.141 -4.641 -9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.971 -4.550 -8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.529 -5.373 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.867 -3.309 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.239 -3.965 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.484 -2.205 -11.826 1.00 0.00 H new ATOM 1690 N PRO A 105 4.584 -4.441 -7.680 1.00 0.00 N ATOM 1691 CA PRO A 105 4.526 -4.805 -6.277 1.00 0.00 C ATOM 1692 C PRO A 105 5.959 -4.892 -5.745 1.00 0.00 C ATOM 1693 O PRO A 105 6.827 -5.503 -6.355 1.00 0.00 O ATOM 1694 CB PRO A 105 3.848 -6.170 -6.222 1.00 0.00 C ATOM 1695 CG PRO A 105 3.684 -6.645 -7.676 1.00 0.00 C ATOM 1696 CD PRO A 105 4.141 -5.492 -8.580 1.00 0.00 C ATOM 0 HA PRO A 105 3.977 -4.081 -5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.449 -6.877 -5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.880 -6.101 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.281 -7.538 -7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.646 -6.908 -7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.948 -5.808 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.326 -5.146 -9.216 1.00 0.00 H new ATOM 1704 N CYS A 106 6.152 -4.263 -4.585 1.00 0.00 N ATOM 1705 CA CYS A 106 7.509 -4.211 -4.069 1.00 0.00 C ATOM 1706 C CYS A 106 7.846 -5.370 -3.154 1.00 0.00 C ATOM 1707 O CYS A 106 8.734 -6.167 -3.429 1.00 0.00 O ATOM 1708 CB CYS A 106 7.712 -2.909 -3.322 1.00 0.00 C ATOM 1709 SG CYS A 106 9.228 -2.923 -2.337 1.00 0.00 S ATOM 0 H CYS A 106 5.434 -3.811 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 106 8.177 -4.279 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.750 -2.085 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 106 6.858 -2.728 -2.670 1.00 0.00 H new ATOM 0 HG CYS A 106 10.175 -3.512 -3.006 1.00 0.00 H new ATOM 1715 N GLN A 107 7.109 -5.378 -2.035 1.00 0.00 N ATOM 1716 CA GLN A 107 7.354 -6.380 -1.035 1.00 0.00 C ATOM 1717 C GLN A 107 7.794 -7.697 -1.634 1.00 0.00 C ATOM 1718 O GLN A 107 7.599 -8.015 -2.801 1.00 0.00 O ATOM 1719 CB GLN A 107 6.118 -6.573 -0.207 1.00 0.00 C ATOM 1720 CG GLN A 107 6.448 -6.608 1.278 1.00 0.00 C ATOM 1721 CD GLN A 107 7.062 -7.954 1.664 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.721 -8.999 1.125 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.988 -7.852 2.634 1.00 0.00 N ATOM 0 H GLN A 107 6.364 -4.716 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 107 8.172 -6.029 -0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.414 -5.765 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.626 -7.502 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.142 -5.803 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.543 -6.435 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.213 -6.939 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.465 -8.687 2.974 1.00 0.00 H new ATOM 1732 N LYS A 108 8.369 -8.437 -0.701 1.00 0.00 N ATOM 1733 CA LYS A 108 8.908 -9.729 -1.026 1.00 0.00 C ATOM 1734 C LYS A 108 7.874 -10.654 -1.631 1.00 0.00 C ATOM 1735 O LYS A 108 6.720 -10.310 -1.854 1.00 0.00 O ATOM 1736 CB LYS A 108 9.468 -10.322 0.245 1.00 0.00 C ATOM 1737 CG LYS A 108 10.850 -9.764 0.480 1.00 0.00 C ATOM 1738 CD LYS A 108 11.331 -9.989 1.909 1.00 0.00 C ATOM 1739 CE LYS A 108 11.581 -11.470 2.199 1.00 0.00 C ATOM 1740 NZ LYS A 108 12.633 -12.031 1.359 1.00 0.00 N ATOM 0 H LYS A 108 8.470 -8.161 0.276 1.00 0.00 H new ATOM 0 HA LYS A 108 9.685 -9.611 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.819 -10.087 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.509 -11.408 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.550 -10.230 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.849 -8.696 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.249 -9.426 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.589 -9.602 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.854 -11.591 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.658 -12.029 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.942 -12.943 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.268 -12.175 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.440 -11.375 1.329 1.00 0.00 H new ATOM 1754 N ILE A 109 8.401 -11.863 -1.875 1.00 0.00 N ATOM 1755 CA ILE A 109 7.566 -12.890 -2.464 1.00 0.00 C ATOM 1756 C ILE A 109 6.992 -13.779 -1.358 1.00 0.00 C ATOM 1757 O ILE A 109 6.314 -13.325 -0.445 1.00 0.00 O ATOM 1758 CB ILE A 109 8.394 -13.727 -3.439 1.00 0.00 C ATOM 1759 CG1 ILE A 109 9.151 -12.856 -4.423 1.00 0.00 C ATOM 1760 CG2 ILE A 109 7.495 -14.698 -4.206 1.00 0.00 C ATOM 1761 CD1 ILE A 109 10.333 -12.138 -3.768 1.00 0.00 C ATOM 0 H ILE A 109 9.364 -12.136 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 109 6.743 -12.426 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 109 9.119 -14.287 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.513 -13.471 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.472 -12.119 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 109 8.100 -15.286 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.995 -15.364 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.748 -14.136 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.845 -11.527 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 109 9.970 -11.501 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 109 11.028 -12.875 -3.364 1.00 0.00 H new ATOM 1773 N GLY A 110 7.318 -15.075 -1.515 1.00 0.00 N ATOM 1774 CA GLY A 110 6.846 -16.042 -0.543 1.00 0.00 C ATOM 1775 C GLY A 110 7.992 -16.927 -0.050 1.00 0.00 C ATOM 1776 O GLY A 110 8.812 -16.529 0.768 1.00 0.00 O ATOM 0 H GLY A 110 7.883 -15.453 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.393 -15.523 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.069 -16.662 -0.989 1.00 0.00 H new ATOM 1780 N THR A 111 7.988 -18.152 -0.608 1.00 0.00 N ATOM 1781 CA THR A 111 9.006 -19.093 -0.237 1.00 0.00 C ATOM 1782 C THR A 111 10.223 -18.920 -1.152 1.00 0.00 C ATOM 1783 O THR A 111 11.188 -18.242 -0.821 1.00 0.00 O ATOM 1784 CB THR A 111 8.406 -20.497 -0.351 1.00 0.00 C ATOM 1785 OG1 THR A 111 7.016 -20.413 -0.568 1.00 0.00 O ATOM 1786 CG2 THR A 111 8.659 -21.301 0.902 1.00 0.00 C ATOM 0 H THR A 111 7.308 -18.485 -1.291 1.00 0.00 H new ATOM 0 HA THR A 111 9.344 -18.930 0.786 1.00 0.00 H new ATOM 0 HB THR A 111 8.885 -20.996 -1.193 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.641 -21.316 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.222 -22.293 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.733 -21.394 1.064 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.205 -20.797 1.755 1.00 0.00 H new ATOM 1794 N GLN A 112 10.106 -19.575 -2.315 1.00 0.00 N ATOM 1795 CA GLN A 112 11.179 -19.495 -3.273 1.00 0.00 C ATOM 1796 C GLN A 112 10.750 -18.616 -4.449 1.00 0.00 C ATOM 1797 O GLN A 112 10.566 -19.149 -5.543 1.00 0.00 O ATOM 1798 CB GLN A 112 11.526 -20.900 -3.757 1.00 0.00 C ATOM 1799 CG GLN A 112 12.273 -21.693 -2.685 1.00 0.00 C ATOM 1800 CD GLN A 112 12.590 -23.098 -3.202 1.00 0.00 C ATOM 1801 OE1 GLN A 112 12.590 -23.363 -4.398 1.00 0.00 O ATOM 1802 NE2 GLN A 112 12.859 -23.973 -2.216 1.00 0.00 N ATOM 1803 OXT GLN A 112 10.606 -17.410 -4.259 1.00 0.00 O ATOM 0 H GLN A 112 9.305 -20.142 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 112 12.060 -19.052 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 112 10.612 -21.428 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 112 12.139 -20.835 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 112 13.195 -21.178 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 112 11.668 -21.757 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.837 -23.668 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.085 -24.942 -2.441 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 4.150 10.492 9.528 1.00 0.00 C HETATM 1814 O ACE B 0 4.157 11.458 8.775 1.00 0.00 O HETATM 1815 CH3 ACE B 0 3.263 10.438 10.767 1.00 0.00 C HETATM 0 H1 ACE B 0 2.585 9.588 10.692 1.00 0.00 H new HETATM 0 H2 ACE B 0 3.885 10.329 11.655 1.00 0.00 H new HETATM 0 H3 ACE B 0 2.684 11.359 10.840 1.00 0.00 H new ATOM 1819 N THR B 1 4.888 9.383 9.370 1.00 0.00 N ATOM 1820 CA THR B 1 5.664 9.239 8.157 1.00 0.00 C ATOM 1821 C THR B 1 4.724 8.926 6.998 1.00 0.00 C ATOM 1822 O THR B 1 4.484 7.776 6.650 1.00 0.00 O ATOM 1823 CB THR B 1 6.679 8.116 8.338 1.00 0.00 C ATOM 1824 OG1 THR B 1 7.908 8.651 8.766 1.00 0.00 O ATOM 1825 CG2 THR B 1 6.889 7.323 7.048 1.00 0.00 C ATOM 0 H THR B 1 4.956 8.615 10.037 1.00 0.00 H new ATOM 0 HA THR B 1 6.199 10.164 7.941 1.00 0.00 H new ATOM 0 HB THR B 1 6.285 7.433 9.090 1.00 0.00 H new ATOM 0 HG1 THR B 1 8.557 7.926 8.883 1.00 0.00 H new ATOM 0 HG21 THR B 1 7.620 6.533 7.221 1.00 0.00 H new ATOM 0 HG22 THR B 1 5.943 6.880 6.735 1.00 0.00 H new ATOM 0 HG23 THR B 1 7.254 7.989 6.267 1.00 0.00 H new HETATM 1833 N PTR B 2 4.187 10.014 6.438 1.00 0.00 N HETATM 1834 CA PTR B 2 3.272 9.812 5.331 1.00 0.00 C HETATM 1835 C PTR B 2 3.336 10.946 4.334 1.00 0.00 C HETATM 1836 O PTR B 2 2.857 12.052 4.556 1.00 0.00 O HETATM 1837 CB PTR B 2 1.861 9.638 5.864 1.00 0.00 C HETATM 1838 CG PTR B 2 1.861 8.447 6.740 1.00 0.00 C HETATM 1839 CD1 PTR B 2 1.804 7.154 6.171 1.00 0.00 C HETATM 1840 CD2 PTR B 2 2.091 8.598 8.127 1.00 0.00 C HETATM 1841 CE1 PTR B 2 1.984 6.023 6.974 1.00 0.00 C HETATM 1842 CE2 PTR B 2 2.275 7.471 8.938 1.00 0.00 C HETATM 1843 CZ PTR B 2 2.218 6.185 8.359 1.00 0.00 C HETATM 1844 OH PTR B 2 2.396 5.057 9.180 1.00 0.00 O HETATM 1845 P PTR B 2 2.748 3.685 8.518 1.00 0.00 P HETATM 1846 O1P PTR B 2 1.375 3.038 8.201 1.00 0.00 O HETATM 1847 O2P PTR B 2 3.442 2.874 9.642 1.00 0.00 O HETATM 1848 O3P PTR B 2 3.609 3.836 7.299 1.00 0.00 O HETATM 0 HE2 PTR B 2 2.460 7.586 10.006 1.00 0.00 H new HETATM 0 HE1 PTR B 2 1.944 5.026 6.536 1.00 0.00 H new HETATM 0 HD2 PTR B 2 2.125 9.595 8.567 1.00 0.00 H new HETATM 0 HD1 PTR B 2 1.619 7.038 5.103 1.00 0.00 H new HETATM 0 HB3 PTR B 2 1.549 10.523 6.419 1.00 0.00 H new HETATM 0 HB2 PTR B 2 1.154 9.511 5.044 1.00 0.00 H new HETATM 0 HA PTR B 2 3.571 8.908 4.801 1.00 0.00 H new HETATM 0 H PTR B 2 4.773 10.849 6.470 1.00 0.00 H new ATOM 1857 N GLU B 3 3.965 10.574 3.218 1.00 0.00 N ATOM 1858 CA GLU B 3 4.074 11.530 2.143 1.00 0.00 C ATOM 1859 C GLU B 3 2.683 12.066 1.850 1.00 0.00 C ATOM 1860 O GLU B 3 1.683 11.545 2.327 1.00 0.00 O ATOM 1861 CB GLU B 3 4.684 10.868 0.932 1.00 0.00 C ATOM 1862 CG GLU B 3 6.115 10.435 1.220 1.00 0.00 C ATOM 1863 CD GLU B 3 6.811 11.423 2.161 1.00 0.00 C ATOM 1864 OE1 GLU B 3 6.658 11.284 3.374 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.497 12.317 1.671 1.00 0.00 O ATOM 0 H GLU B 3 4.385 9.660 3.048 1.00 0.00 H new ATOM 0 HA GLU B 3 4.724 12.360 2.420 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.087 10.002 0.645 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.670 11.558 0.088 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.114 9.441 1.667 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.672 10.364 0.286 1.00 0.00 H new ATOM 1872 N THR B 4 2.676 13.136 1.047 1.00 0.00 N ATOM 1873 CA THR B 4 1.393 13.722 0.739 1.00 0.00 C ATOM 1874 C THR B 4 0.969 13.357 -0.668 1.00 0.00 C ATOM 1875 O THR B 4 1.550 13.759 -1.668 1.00 0.00 O ATOM 1876 CB THR B 4 1.459 15.232 0.916 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.741 15.694 0.561 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.145 15.651 2.353 1.00 0.00 C ATOM 0 H THR B 4 3.493 13.581 0.628 1.00 0.00 H new ATOM 0 HA THR B 4 0.645 13.326 1.426 1.00 0.00 H new ATOM 0 HB THR B 4 0.706 15.676 0.266 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.781 16.667 0.674 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.203 16.736 2.436 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.141 15.320 2.617 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.867 15.196 3.031 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.094 12.553 -0.635 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.675 12.071 -1.845 1.00 0.00 C ATOM 1888 C LEU B 5 -1.322 13.231 -2.604 1.00 0.00 C ATOM 1889 O LEU B 5 -2.536 13.382 -2.640 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.709 11.032 -1.462 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.318 9.692 -2.026 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.705 8.560 -1.097 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.988 9.514 -3.356 1.00 0.00 C ATOM 0 H LEU B 5 -0.553 12.235 0.219 1.00 0.00 H new ATOM 0 HA LEU B 5 0.078 11.628 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.791 10.970 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.689 11.324 -1.840 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.234 9.665 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.407 7.609 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.203 8.688 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.784 8.567 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.713 8.546 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.069 9.559 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.669 10.307 -4.033 1.00 0.00 H new HETATM 1905 N NH2 B 6 -0.427 14.037 -3.203 1.00 0.00 N TER 1908 NH2 B 6 CONECT 1813 1814 1815 1819 CONECT 1814 1813 CONECT 1815 1813 1816 1817 1818 CONECT 1816 1815 CONECT 1817 1815 CONECT 1818 1815 CONECT 1819 1813 CONECT 1821 1833 CONECT 1833 1821 1834 1849 CONECT 1834 1833 1835 1837 1850 CONECT 1835 1834 1836 1857 CONECT 1836 1835 CONECT 1837 1834 1838 1851 1852 CONECT 1838 1837 1839 1840 CONECT 1839 1838 1841 1853 CONECT 1840 1838 1842 1854 CONECT 1841 1839 1843 1855 CONECT 1842 1840 1843 1856 CONECT 1843 1841 1842 1844 CONECT 1844 1843 1845 CONECT 1845 1844 1846 1847 1848 CONECT 1846 1845 CONECT 1847 1845 CONECT 1848 1845 CONECT 1849 1833 CONECT 1850 1834 CONECT 1851 1837 CONECT 1852 1837 CONECT 1853 1839 CONECT 1854 1840 CONECT 1855 1841 CONECT 1856 1842 CONECT 1857 1835 CONECT 1888 1905 CONECT 1905 1888 1906 1907 CONECT 1906 1905 CONECT 1907 1905 END