USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1136 hydrogens (40 hets) HEADER APOPTOSIS 29-NOV-06 2O2F TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN TITLE 2 COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-2; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BCL2; 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_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS APOPTOSIS, COMPLEX, BCL, NMR EXPDTA SOLUTION NMR AUTHOR M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER, AUTHOR 2 D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG,P.M.NIMMER, AUTHOR 3 T.OLTERSDORF,C.M.PARK,A.M.PETROS,A.R.SHOEMAKER,X.SONG, AUTHOR 4 X.WANG,M.D.WENDT,H.ZHANG,S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE REVDAT 2 24-FEB-09 2O2F 1 VERSN REVDAT 1 27-FEB-07 2O2F 0 JRNL AUTH M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH, JRNL AUTH 2 A.KUNZER,D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG, JRNL AUTH 3 P.M.NIMMER,T.OLTERSDORF,C.M.PARK,A.M.PETROS, JRNL AUTH 4 A.R.SHOEMAKER,X.SONG,X.WANG,M.D.WENDT,H.ZHANG, JRNL AUTH 5 S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE JRNL TITL STUDIES LEADING TO POTENT, DUAL INHIBITORS OF JRNL TITL 2 BCL-2 AND BCL-XL. JRNL REF J.MED.CHEM. V. 50 641 2007 JRNL REFN ISSN 0022-2623 JRNL PMID 17256834 JRNL DOI 10.1021/JM061152T REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER A. T. ETALL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2O2F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-DEC-06. REMARK 100 THE RCSB ID CODE IS RCSB040601. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 8.0 REMARK 210 IONIC STRENGTH : 25 MM TRIS; 150 MM SODIUM REMARK 210 CHLORIDE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 25MM TRIS BUFFER; 150 MM REMARK 210 SODIUM CHLORIDE; 90% H2O, 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ILE A 17 30.63 -94.10 REMARK 500 TYR A 26 -163.39 -162.59 REMARK 500 TRP A 28 170.91 75.65 REMARK 500 ASP A 29 143.76 -179.50 REMARK 500 TYR A 105 54.52 -99.59 REMARK 500 PHE A 121 169.05 -47.30 REMARK 500 PHE A 135 57.89 -93.69 REMARK 500 ARG A 161 32.78 -98.10 REMARK 500 MET A 163 40.78 -144.07 REMARK 500 ARG A 180 32.62 -166.76 REMARK 500 HIS A 181 -57.52 -171.40 REMARK 500 ASN A 189 51.26 -95.09 REMARK 500 LEU A 198 -70.36 -79.56 REMARK 500 TYR A 199 67.67 -107.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE LI0 A 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2O1Y RELATED DB: PDB REMARK 900 RELATED ID: 2O21 RELATED DB: PDB REMARK 900 RELATED ID: 2O22 RELATED DB: PDB DBREF 2O2F A 6 29 UNP P10415 BCL2_HUMAN 8 31 DBREF 2O2F A 89 201 UNP P10415 BCL2_HUMAN 92 204 SEQADV 2O2F GLU A 48 UNP P10415 CLONING ARTIFACT SEQRES 1 A 138 GLY TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE HIS SEQRES 2 A 138 TYR LYS LEU SER GLN ARG GLY TYR GLU TRP ASP GLU VAL SEQRES 3 A 138 VAL HIS LEU THR LEU ARG GLN ALA GLY ASP ASP PHE SER SEQRES 4 A 138 ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER SER GLN SEQRES 5 A 138 LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG PHE ALA SEQRES 6 A 138 THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL ASN TRP SEQRES 7 A 138 GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY VAL MET SEQRES 8 A 138 CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO LEU VAL SEQRES 9 A 138 ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU ASN ARG SEQRES 10 A 138 HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY TRP ASP SEQRES 11 A 138 ALA PHE VAL GLU LEU TYR GLY PRO HET LI0 A1000 88 HETNAM LI0 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1- HETNAM 2 LI0 DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL) HETNAM 3 LI0 SULFONYL]BENZAMIDE FORMUL 2 LI0 C36 H40 N4 O6 S2 HELIX 1 1 ASP A 8 TYR A 16 1 9 HELIX 2 2 HIS A 18 GLN A 23 1 6 HELIX 3 3 VAL A 90 TYR A 105 1 16 HELIX 4 4 TYR A 105 THR A 119 1 15 HELIX 5 5 THR A 122 PHE A 135 1 14 HELIX 6 6 ASN A 140 ARG A 161 1 22 HELIX 7 7 GLU A 162 SER A 164 5 3 HELIX 8 8 PRO A 165 ASN A 179 1 15 HELIX 9 9 HIS A 181 ASN A 189 1 9 HELIX 10 10 GLY A 190 TYR A 199 1 10 SITE *** AC1 12 ALA A 97 ASP A 100 TYR A 105 ASP A 108 SITE *** AC1 12 MET A 112 VAL A 130 LEU A 134 TRP A 141 SITE *** AC1 12 GLY A 142 VAL A 145 ALA A 146 TYR A 199 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HE2:sc= -2.35 X(o=-3.9,f=-4.2) USER MOD Set 1.2: A 91 HIS : no HD1:sc= -1.52 X(o=-3.9,f=-3.9) USER MOD Single : A 7 TYR OH : rot -107:sc= 0.692 USER MOD Single : A 9 ASN : amide:sc= 0.0562 K(o=0.056,f=-0.83) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 25:sc= 0.0695 USER MOD Single : A 19 TYR OH : rot 30:sc= 0.481 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 1.26 (180deg=-0.293) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 30:sc= -0.0317 USER MOD Single : A 93 THR OG1 : rot 61:sc= 1.08 USER MOD Single : A 96 GLN : amide:sc= -0.0145 K(o=-0.015,f=-0.87) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -159:sc= -1.86 (180deg=-2.05) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 117 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 119 THR OG1 : rot -3:sc= 0.543 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 140 ASN : amide:sc= -0.701 K(o=-0.7,f=-1.8) USER MOD Single : A 154 MET CE :methyl -176:sc= -0.939 (180deg=-0.954) USER MOD Single : A 155 CYS SG : rot 53:sc= 0.68 USER MOD Single : A 158 SER OG : rot 180:sc= -0.318 USER MOD Single : A 160 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.84) USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 SER OG : rot 180:sc= 0.126 USER MOD Single : A 169 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.7!) USER MOD Single : A 174 MET CE :methyl 148:sc= 0 (180deg=-0.118) USER MOD Single : A 175 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 177 TYR OH : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.4!) USER MOD Single : A 181 HIS : no HD1:sc= -0.0111 K(o=-0.011,f=-0.57) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 187 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 6 -7.283 14.359 -18.552 1.00 0.00 N ATOM 2 CA GLY A 6 -8.160 13.188 -18.272 1.00 0.00 C ATOM 3 C GLY A 6 -7.531 12.214 -17.295 1.00 0.00 C ATOM 4 O GLY A 6 -6.336 11.928 -17.377 1.00 0.00 O ATOM 0 HA2 GLY A 6 -9.111 13.538 -17.870 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.379 12.671 -19.206 1.00 0.00 H new ATOM 10 N TYR A 7 -8.336 11.703 -16.370 1.00 0.00 N ATOM 11 CA TYR A 7 -7.851 10.755 -15.374 1.00 0.00 C ATOM 12 C TYR A 7 -8.750 9.525 -15.307 1.00 0.00 C ATOM 13 O TYR A 7 -9.973 9.641 -15.221 1.00 0.00 O ATOM 14 CB TYR A 7 -7.778 11.420 -13.998 1.00 0.00 C ATOM 15 CG TYR A 7 -7.043 12.742 -14.002 1.00 0.95 C ATOM 16 CD1 TYR A 7 -5.656 12.788 -13.921 1.00 1.77 C ATOM 17 CD2 TYR A 7 -7.735 13.944 -14.087 1.00 1.76 C ATOM 18 CE1 TYR A 7 -4.981 13.993 -13.923 1.00 2.51 C ATOM 19 CE2 TYR A 7 -7.066 15.153 -14.091 1.00 2.50 C ATOM 20 CZ TYR A 7 -5.690 15.172 -14.009 1.00 2.69 C ATOM 21 OH TYR A 7 -5.021 16.375 -14.011 1.00 3.55 O ATOM 0 H TYR A 7 -9.327 11.929 -16.289 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.852 10.437 -15.671 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.790 11.578 -13.626 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.285 10.742 -13.302 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.097 11.866 -13.855 1.00 1.77 H new ATOM 0 HD2 TYR A 7 -8.813 13.933 -14.151 1.00 1.76 H new ATOM 0 HE1 TYR A 7 -3.903 14.011 -13.858 1.00 2.51 H new ATOM 0 HE2 TYR A 7 -7.618 16.079 -14.158 1.00 2.50 H new ATOM 0 HH TYR A 7 -5.151 16.823 -13.149 1.00 3.55 H new ATOM 31 N ASP A 8 -8.135 8.347 -15.346 1.00 0.00 N ATOM 32 CA ASP A 8 -8.879 7.095 -15.288 1.00 0.00 C ATOM 33 C ASP A 8 -8.345 6.196 -14.176 1.00 0.00 C ATOM 34 O ASP A 8 -7.158 5.871 -14.145 1.00 0.00 O ATOM 35 CB ASP A 8 -8.801 6.366 -16.631 1.00 0.00 C ATOM 36 CG ASP A 8 -9.864 6.830 -17.606 1.00 0.80 C ATOM 37 OD1 ASP A 8 -11.049 6.877 -17.214 1.00 1.66 O ATOM 38 OD2 ASP A 8 -9.512 7.145 -18.762 1.00 1.37 O ATOM 0 H ASP A 8 -7.124 8.234 -15.417 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.921 7.331 -15.072 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.816 6.524 -17.070 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.908 5.294 -16.465 1.00 0.00 H new ATOM 43 N ASN A 9 -9.229 5.801 -13.267 1.00 0.00 N ATOM 44 CA ASN A 9 -8.848 4.942 -12.152 1.00 0.00 C ATOM 45 C ASN A 9 -8.502 3.539 -12.641 1.00 0.00 C ATOM 46 O ASN A 9 -7.645 2.865 -12.069 1.00 0.00 O ATOM 47 CB ASN A 9 -9.979 4.871 -11.126 1.00 0.01 C ATOM 48 CG ASN A 9 -10.520 6.240 -10.768 1.00 1.28 C ATOM 49 OD1 ASN A 9 -11.347 6.801 -11.487 1.00 2.05 O ATOM 50 ND2 ASN A 9 -10.055 6.786 -9.651 1.00 2.14 N ATOM 0 H ASN A 9 -10.215 6.062 -13.280 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.965 5.372 -11.680 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.787 4.256 -11.522 1.00 0.01 H new ATOM 0 HB3 ASN A 9 -9.617 4.379 -10.223 1.00 0.01 H new ATOM 0 HD21 ASN A 9 -10.383 7.706 -9.358 1.00 2.14 H new ATOM 0 HD22 ASN A 9 -9.370 6.285 -9.085 1.00 2.14 H new ATOM 57 N ARG A 10 -9.174 3.107 -13.703 1.00 0.00 N ATOM 58 CA ARG A 10 -8.938 1.784 -14.269 1.00 0.00 C ATOM 59 C ARG A 10 -7.680 1.779 -15.130 1.00 0.00 C ATOM 60 O ARG A 10 -6.892 0.833 -15.091 1.00 0.00 O ATOM 61 CB ARG A 10 -10.143 1.341 -15.101 1.00 0.01 C ATOM 62 CG ARG A 10 -9.782 0.415 -16.250 1.00 1.20 C ATOM 63 CD ARG A 10 -11.023 -0.102 -16.960 1.00 1.47 C ATOM 64 NE ARG A 10 -11.120 0.403 -18.327 1.00 1.72 N ATOM 65 CZ ARG A 10 -11.921 -0.115 -19.256 1.00 2.09 C ATOM 66 NH1 ARG A 10 -12.700 -1.152 -18.973 1.00 2.59 N ATOM 67 NH2 ARG A 10 -11.943 0.408 -20.474 1.00 2.63 N ATOM 0 H ARG A 10 -9.886 3.653 -14.189 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.796 1.083 -13.447 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.858 0.837 -14.450 1.00 0.01 H new ATOM 0 HB3 ARG A 10 -10.643 2.224 -15.500 1.00 0.01 H new ATOM 0 HG2 ARG A 10 -9.149 0.946 -16.961 1.00 1.20 H new ATOM 0 HG3 ARG A 10 -9.201 -0.426 -15.872 1.00 1.20 H new ATOM 0 HD2 ARG A 10 -11.004 -1.192 -16.976 1.00 1.47 H new ATOM 0 HD3 ARG A 10 -11.911 0.193 -16.400 1.00 1.47 H new ATOM 0 HE ARG A 10 -10.539 1.201 -18.586 1.00 1.72 H new ATOM 0 HH11 ARG A 10 -12.688 -1.559 -18.038 1.00 2.59 H new ATOM 0 HH12 ARG A 10 -13.310 -1.542 -19.691 1.00 2.59 H new ATOM 0 HH21 ARG A 10 -11.347 1.205 -20.698 1.00 2.63 H new ATOM 0 HH22 ARG A 10 -12.556 0.013 -21.188 1.00 2.63 H new ATOM 81 N GLU A 11 -7.496 2.841 -15.906 1.00 0.00 N ATOM 82 CA GLU A 11 -6.334 2.964 -16.777 1.00 0.00 C ATOM 83 C GLU A 11 -5.044 2.994 -15.964 1.00 0.00 C ATOM 84 O GLU A 11 -4.005 2.504 -16.407 1.00 0.00 O ATOM 85 CB GLU A 11 -6.444 4.231 -17.627 1.00 0.00 C ATOM 86 CG GLU A 11 -5.871 4.081 -19.026 1.00 0.93 C ATOM 87 CD GLU A 11 -6.364 5.158 -19.973 1.00 0.93 C ATOM 88 OE1 GLU A 11 -6.048 6.343 -19.740 1.00 1.42 O ATOM 89 OE2 GLU A 11 -7.065 4.816 -20.949 1.00 1.39 O ATOM 0 H GLU A 11 -8.139 3.631 -15.949 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.307 2.094 -17.433 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.493 4.517 -17.703 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.928 5.045 -17.118 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.783 4.116 -18.975 1.00 0.93 H new ATOM 0 HG3 GLU A 11 -6.140 3.102 -19.422 1.00 0.93 H new ATOM 96 N ILE A 12 -5.118 3.577 -14.772 1.00 0.00 N ATOM 97 CA ILE A 12 -3.959 3.677 -13.894 1.00 0.00 C ATOM 98 C ILE A 12 -3.758 2.396 -13.090 1.00 0.00 C ATOM 99 O ILE A 12 -2.628 1.977 -12.845 1.00 0.00 O ATOM 100 CB ILE A 12 -4.100 4.857 -12.915 1.00 0.00 C ATOM 101 CG1 ILE A 12 -3.768 6.177 -13.614 1.00 0.22 C ATOM 102 CG2 ILE A 12 -3.200 4.650 -11.705 1.00 0.22 C ATOM 103 CD1 ILE A 12 -4.775 7.274 -13.342 1.00 0.97 C ATOM 0 H ILE A 12 -5.971 3.988 -14.392 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.094 3.840 -14.536 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.134 4.903 -12.573 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.782 6.512 -13.292 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -3.711 6.005 -14.689 1.00 0.22 H new ATOM 0 HG21 ILE A 12 -3.310 5.492 -11.021 1.00 0.22 H new ATOM 0 HG22 ILE A 12 -3.482 3.729 -11.195 1.00 0.22 H new ATOM 0 HG23 ILE A 12 -2.162 4.581 -12.031 1.00 0.22 H new ATOM 0 HD11 ILE A 12 -4.477 8.180 -13.869 1.00 0.97 H new ATOM 0 HD12 ILE A 12 -5.759 6.959 -13.690 1.00 0.97 H new ATOM 0 HD13 ILE A 12 -4.816 7.473 -12.271 1.00 0.97 H new ATOM 115 N VAL A 13 -4.861 1.786 -12.671 1.00 0.00 N ATOM 116 CA VAL A 13 -4.807 0.560 -11.881 1.00 0.00 C ATOM 117 C VAL A 13 -4.290 -0.623 -12.697 1.00 0.00 C ATOM 118 O VAL A 13 -3.606 -1.498 -12.166 1.00 0.00 O ATOM 119 CB VAL A 13 -6.194 0.204 -11.310 1.00 0.04 C ATOM 120 CG1 VAL A 13 -6.404 -1.302 -11.311 1.00 0.76 C ATOM 121 CG2 VAL A 13 -6.355 0.772 -9.907 1.00 0.80 C ATOM 0 H VAL A 13 -5.805 2.120 -12.865 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.113 0.752 -11.063 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.955 0.652 -11.949 1.00 0.04 H new ATOM 0 HG11 VAL A 13 -7.389 -1.532 -10.904 1.00 0.76 H new ATOM 0 HG12 VAL A 13 -6.336 -1.678 -12.332 1.00 0.76 H new ATOM 0 HG13 VAL A 13 -5.638 -1.777 -10.698 1.00 0.76 H new ATOM 0 HG21 VAL A 13 -7.340 0.511 -9.520 1.00 0.80 H new ATOM 0 HG22 VAL A 13 -5.587 0.356 -9.255 1.00 0.80 H new ATOM 0 HG23 VAL A 13 -6.254 1.857 -9.940 1.00 0.80 H new ATOM 131 N MET A 14 -4.632 -0.654 -13.981 1.00 0.00 N ATOM 132 CA MET A 14 -4.209 -1.745 -14.855 1.00 0.00 C ATOM 133 C MET A 14 -2.800 -1.523 -15.405 1.00 0.00 C ATOM 134 O MET A 14 -2.113 -2.477 -15.768 1.00 0.00 O ATOM 135 CB MET A 14 -5.196 -1.904 -16.012 1.00 0.00 C ATOM 136 CG MET A 14 -6.043 -3.164 -15.918 1.00 0.92 C ATOM 137 SD MET A 14 -6.452 -3.849 -17.534 1.00 1.39 S ATOM 138 CE MET A 14 -7.819 -4.923 -17.105 1.00 2.23 C ATOM 0 H MET A 14 -5.198 0.060 -14.439 1.00 0.00 H new ATOM 0 HA MET A 14 -4.193 -2.656 -14.256 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.853 -1.035 -16.040 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.643 -1.916 -16.951 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.508 -3.914 -15.335 1.00 0.92 H new ATOM 0 HG3 MET A 14 -6.964 -2.939 -15.380 1.00 0.92 H new ATOM 0 HE1 MET A 14 -8.185 -5.422 -18.002 1.00 2.23 H new ATOM 0 HE2 MET A 14 -7.483 -5.670 -16.386 1.00 2.23 H new ATOM 0 HE3 MET A 14 -8.622 -4.332 -16.665 1.00 2.23 H new ATOM 148 N LYS A 15 -2.376 -0.265 -15.476 1.00 0.00 N ATOM 149 CA LYS A 15 -1.051 0.062 -15.997 1.00 0.00 C ATOM 150 C LYS A 15 -0.031 0.228 -14.873 1.00 0.00 C ATOM 151 O LYS A 15 1.165 0.025 -15.079 1.00 0.00 O ATOM 152 CB LYS A 15 -1.113 1.339 -16.832 1.00 0.01 C ATOM 153 CG LYS A 15 -2.008 1.226 -18.056 1.00 0.21 C ATOM 154 CD LYS A 15 -1.192 1.077 -19.330 1.00 1.19 C ATOM 155 CE LYS A 15 -1.980 0.363 -20.416 1.00 1.37 C ATOM 156 NZ LYS A 15 -2.949 1.272 -21.089 1.00 2.07 N ATOM 0 H LYS A 15 -2.926 0.542 -15.181 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.729 -0.768 -16.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.471 2.155 -16.205 1.00 0.01 H new ATOM 0 HB3 LYS A 15 -0.105 1.602 -17.153 1.00 0.01 H new ATOM 0 HG2 LYS A 15 -2.672 0.368 -17.945 1.00 0.21 H new ATOM 0 HG3 LYS A 15 -2.640 2.111 -18.129 1.00 0.21 H new ATOM 0 HD2 LYS A 15 -0.889 2.062 -19.686 1.00 1.19 H new ATOM 0 HD3 LYS A 15 -0.279 0.521 -19.116 1.00 1.19 H new ATOM 0 HE2 LYS A 15 -1.291 -0.045 -21.156 1.00 1.37 H new ATOM 0 HE3 LYS A 15 -2.516 -0.480 -19.981 1.00 1.37 H new ATOM 0 HZ1 LYS A 15 -3.466 0.747 -21.823 1.00 2.07 H new ATOM 0 HZ2 LYS A 15 -3.623 1.642 -20.388 1.00 2.07 H new ATOM 0 HZ3 LYS A 15 -2.436 2.064 -21.527 1.00 2.07 H new ATOM 170 N TYR A 16 -0.502 0.606 -13.688 1.00 0.00 N ATOM 171 CA TYR A 16 0.387 0.800 -12.547 1.00 0.00 C ATOM 172 C TYR A 16 0.965 -0.520 -12.035 1.00 0.00 C ATOM 173 O TYR A 16 1.862 -0.518 -11.190 1.00 0.00 O ATOM 174 CB TYR A 16 -0.340 1.513 -11.409 1.00 0.00 C ATOM 175 CG TYR A 16 0.550 1.786 -10.218 1.00 0.07 C ATOM 176 CD1 TYR A 16 1.408 2.879 -10.205 1.00 1.21 C ATOM 177 CD2 TYR A 16 0.539 0.947 -9.111 1.00 1.11 C ATOM 178 CE1 TYR A 16 2.229 3.127 -9.121 1.00 1.25 C ATOM 179 CE2 TYR A 16 1.357 1.190 -8.025 1.00 1.09 C ATOM 180 CZ TYR A 16 2.199 2.281 -8.035 1.00 0.21 C ATOM 181 OH TYR A 16 3.014 2.526 -6.954 1.00 0.28 O ATOM 0 H TYR A 16 -1.487 0.783 -13.493 1.00 0.00 H new ATOM 0 HA TYR A 16 1.214 1.419 -12.896 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.743 2.456 -11.778 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.188 0.906 -11.090 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.434 3.545 -11.055 1.00 1.21 H new ATOM 0 HD2 TYR A 16 -0.120 0.091 -9.099 1.00 1.11 H new ATOM 0 HE1 TYR A 16 2.891 3.980 -9.126 1.00 1.25 H new ATOM 0 HE2 TYR A 16 1.337 0.528 -7.172 1.00 1.09 H new ATOM 0 HH TYR A 16 3.239 3.479 -6.924 1.00 0.28 H new ATOM 191 N ILE A 17 0.460 -1.647 -12.539 1.00 0.00 N ATOM 192 CA ILE A 17 0.948 -2.953 -12.114 1.00 0.00 C ATOM 193 C ILE A 17 2.040 -3.469 -13.049 1.00 0.00 C ATOM 194 O ILE A 17 2.189 -4.678 -13.233 1.00 0.00 O ATOM 195 CB ILE A 17 -0.192 -3.988 -12.057 1.00 0.00 C ATOM 196 CG1 ILE A 17 -1.529 -3.290 -11.804 1.00 1.13 C ATOM 197 CG2 ILE A 17 0.087 -5.023 -10.980 1.00 1.13 C ATOM 198 CD1 ILE A 17 -2.623 -4.228 -11.341 1.00 1.65 C ATOM 0 H ILE A 17 -0.282 -1.679 -13.238 1.00 0.00 H new ATOM 0 HA ILE A 17 1.363 -2.822 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.248 -4.501 -13.017 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.387 -2.512 -11.054 1.00 1.13 H new ATOM 0 HG13 ILE A 17 -1.850 -2.795 -12.720 1.00 1.13 H new ATOM 0 HG21 ILE A 17 -0.727 -5.747 -10.952 1.00 1.13 H new ATOM 0 HG22 ILE A 17 1.022 -5.537 -11.203 1.00 1.13 H new ATOM 0 HG23 ILE A 17 0.166 -4.528 -10.012 1.00 1.13 H new ATOM 0 HD11 ILE A 17 -3.542 -3.664 -11.181 1.00 1.65 H new ATOM 0 HD12 ILE A 17 -2.793 -4.992 -12.100 1.00 1.65 H new ATOM 0 HD13 ILE A 17 -2.323 -4.705 -10.408 1.00 1.65 H new ATOM 210 N HIS A 18 2.804 -2.551 -13.635 1.00 0.00 N ATOM 211 CA HIS A 18 3.880 -2.920 -14.543 1.00 0.00 C ATOM 212 C HIS A 18 5.220 -2.920 -13.819 1.00 0.00 C ATOM 213 O HIS A 18 6.024 -3.830 -13.990 1.00 0.00 O ATOM 214 CB HIS A 18 3.929 -1.958 -15.734 1.00 0.02 C ATOM 215 CG HIS A 18 4.722 -0.715 -15.469 1.00 0.46 C ATOM 216 ND1 HIS A 18 6.060 -0.596 -15.781 1.00 1.32 N ATOM 217 CD2 HIS A 18 4.361 0.466 -14.913 1.00 1.25 C ATOM 218 CE1 HIS A 18 6.487 0.604 -15.427 1.00 1.37 C ATOM 219 NE2 HIS A 18 5.475 1.268 -14.899 1.00 1.23 N ATOM 0 H HIS A 18 2.696 -1.546 -13.496 1.00 0.00 H new ATOM 0 HA HIS A 18 3.683 -3.927 -14.910 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.358 -2.476 -16.592 1.00 0.02 H new ATOM 0 HB3 HIS A 18 2.911 -1.678 -16.007 1.00 0.02 H new ATOM 0 HD1 HIS A 18 6.631 -1.320 -16.217 1.00 1.32 H new ATOM 0 HD2 HIS A 18 3.379 0.728 -14.548 1.00 1.25 H new ATOM 0 HE1 HIS A 18 7.493 0.978 -15.549 1.00 1.37 H new ATOM 228 N TYR A 19 5.454 -1.896 -13.007 1.00 0.00 N ATOM 229 CA TYR A 19 6.700 -1.785 -12.259 1.00 0.00 C ATOM 230 C TYR A 19 6.757 -2.813 -11.132 1.00 0.00 C ATOM 231 O TYR A 19 7.837 -3.224 -10.709 1.00 0.00 O ATOM 232 CB TYR A 19 6.846 -0.373 -11.691 1.00 0.01 C ATOM 233 CG TYR A 19 8.254 -0.032 -11.261 1.00 0.43 C ATOM 234 CD1 TYR A 19 9.330 -0.224 -12.119 1.00 1.17 C ATOM 235 CD2 TYR A 19 8.507 0.482 -9.995 1.00 1.46 C ATOM 236 CE1 TYR A 19 10.618 0.089 -11.727 1.00 1.34 C ATOM 237 CE2 TYR A 19 9.792 0.796 -9.596 1.00 1.75 C ATOM 238 CZ TYR A 19 10.843 0.598 -10.466 1.00 1.23 C ATOM 239 OH TYR A 19 12.124 0.910 -10.072 1.00 1.62 O ATOM 0 H TYR A 19 4.798 -1.131 -12.850 1.00 0.00 H new ATOM 0 HA TYR A 19 7.526 -1.984 -12.942 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.521 0.346 -12.443 1.00 0.01 H new ATOM 0 HB3 TYR A 19 6.178 -0.264 -10.836 1.00 0.01 H new ATOM 0 HD1 TYR A 19 9.157 -0.624 -13.107 1.00 1.17 H new ATOM 0 HD2 TYR A 19 7.686 0.639 -9.312 1.00 1.46 H new ATOM 0 HE1 TYR A 19 11.444 -0.065 -12.406 1.00 1.34 H new ATOM 0 HE2 TYR A 19 9.972 1.194 -8.608 1.00 1.75 H new ATOM 0 HH TYR A 19 12.651 1.175 -10.854 1.00 1.62 H new ATOM 249 N LYS A 20 5.589 -3.223 -10.647 1.00 0.00 N ATOM 250 CA LYS A 20 5.509 -4.200 -9.569 1.00 0.00 C ATOM 251 C LYS A 20 5.704 -5.625 -10.088 1.00 0.00 C ATOM 252 O LYS A 20 6.074 -6.521 -9.329 1.00 0.00 O ATOM 253 CB LYS A 20 4.158 -4.090 -8.861 1.00 0.01 C ATOM 254 CG LYS A 20 3.934 -2.748 -8.185 1.00 0.59 C ATOM 255 CD LYS A 20 4.739 -2.633 -6.901 1.00 0.96 C ATOM 256 CE LYS A 20 5.998 -1.806 -7.105 1.00 1.30 C ATOM 257 NZ LYS A 20 6.404 -1.097 -5.861 1.00 1.48 N ATOM 0 H LYS A 20 4.685 -2.893 -10.984 1.00 0.00 H new ATOM 0 HA LYS A 20 6.311 -3.983 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.362 -4.260 -9.586 1.00 0.01 H new ATOM 0 HB3 LYS A 20 4.083 -4.881 -8.114 1.00 0.01 H new ATOM 0 HG2 LYS A 20 4.215 -1.944 -8.866 1.00 0.59 H new ATOM 0 HG3 LYS A 20 2.874 -2.622 -7.964 1.00 0.59 H new ATOM 0 HD2 LYS A 20 4.125 -2.177 -6.125 1.00 0.96 H new ATOM 0 HD3 LYS A 20 5.009 -3.629 -6.549 1.00 0.96 H new ATOM 0 HE2 LYS A 20 6.809 -2.455 -7.434 1.00 1.30 H new ATOM 0 HE3 LYS A 20 5.830 -1.078 -7.899 1.00 1.30 H new ATOM 0 HZ1 LYS A 20 6.408 -0.071 -6.032 1.00 1.48 H new ATOM 0 HZ2 LYS A 20 5.731 -1.319 -5.100 1.00 1.48 H new ATOM 0 HZ3 LYS A 20 7.357 -1.405 -5.581 1.00 1.48 H new ATOM 271 N LEU A 21 5.446 -5.837 -11.378 1.00 0.00 N ATOM 272 CA LEU A 21 5.588 -7.163 -11.972 1.00 0.00 C ATOM 273 C LEU A 21 6.791 -7.233 -12.912 1.00 0.00 C ATOM 274 O LEU A 21 7.560 -8.193 -12.874 1.00 0.00 O ATOM 275 CB LEU A 21 4.309 -7.538 -12.722 1.00 0.01 C ATOM 276 CG LEU A 21 3.048 -7.578 -11.858 1.00 0.44 C ATOM 277 CD1 LEU A 21 1.811 -7.752 -12.724 1.00 1.31 C ATOM 278 CD2 LEU A 21 3.143 -8.695 -10.831 1.00 1.23 C ATOM 0 H LEU A 21 5.140 -5.112 -12.027 1.00 0.00 H new ATOM 0 HA LEU A 21 5.757 -7.876 -11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.156 -6.823 -13.531 1.00 0.01 H new ATOM 0 HB3 LEU A 21 4.448 -8.516 -13.183 1.00 0.01 H new ATOM 0 HG LEU A 21 2.963 -6.629 -11.328 1.00 0.44 H new ATOM 0 HD11 LEU A 21 0.924 -7.778 -12.091 1.00 1.31 H new ATOM 0 HD12 LEU A 21 1.735 -6.918 -13.421 1.00 1.31 H new ATOM 0 HD13 LEU A 21 1.886 -8.685 -13.282 1.00 1.31 H new ATOM 0 HD21 LEU A 21 2.238 -8.710 -10.224 1.00 1.23 H new ATOM 0 HD22 LEU A 21 3.252 -9.651 -11.343 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.007 -8.526 -10.189 1.00 1.23 H new ATOM 290 N SER A 22 6.950 -6.215 -13.754 1.00 0.00 N ATOM 291 CA SER A 22 8.064 -6.174 -14.699 1.00 0.00 C ATOM 292 C SER A 22 9.381 -6.472 -13.992 1.00 0.00 C ATOM 293 O SER A 22 10.220 -7.209 -14.508 1.00 0.00 O ATOM 294 CB SER A 22 8.140 -4.809 -15.385 1.00 0.01 C ATOM 295 OG SER A 22 9.253 -4.739 -16.260 1.00 1.24 O ATOM 0 H SER A 22 6.325 -5.410 -13.802 1.00 0.00 H new ATOM 0 HA SER A 22 7.891 -6.939 -15.456 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.222 -4.628 -15.944 1.00 0.01 H new ATOM 0 HB3 SER A 22 8.215 -4.024 -14.633 1.00 0.01 H new ATOM 0 HG SER A 22 9.278 -3.857 -16.687 1.00 1.24 H new ATOM 301 N GLN A 23 9.551 -5.898 -12.804 1.00 0.00 N ATOM 302 CA GLN A 23 10.762 -6.111 -12.022 1.00 0.00 C ATOM 303 C GLN A 23 11.086 -7.599 -11.942 1.00 0.00 C ATOM 304 O GLN A 23 12.251 -7.991 -11.897 1.00 0.00 O ATOM 305 CB GLN A 23 10.595 -5.530 -10.616 1.00 0.00 C ATOM 306 CG GLN A 23 11.275 -6.346 -9.531 1.00 1.16 C ATOM 307 CD GLN A 23 11.431 -5.574 -8.234 1.00 1.56 C ATOM 308 OE1 GLN A 23 10.471 -4.999 -7.722 1.00 2.06 O ATOM 309 NE2 GLN A 23 12.645 -5.556 -7.699 1.00 2.28 N ATOM 0 H GLN A 23 8.866 -5.283 -12.364 1.00 0.00 H new ATOM 0 HA GLN A 23 11.589 -5.600 -12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.997 -4.517 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.532 -5.454 -10.388 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.696 -7.250 -9.344 1.00 1.16 H new ATOM 0 HG3 GLN A 23 12.257 -6.663 -9.881 1.00 1.16 H new ATOM 0 HE21 GLN A 23 13.412 -6.047 -8.158 1.00 2.28 H new ATOM 0 HE22 GLN A 23 12.811 -5.051 -6.828 1.00 2.28 H new ATOM 318 N ARG A 24 10.041 -8.422 -11.939 1.00 0.00 N ATOM 319 CA ARG A 24 10.203 -9.869 -11.881 1.00 0.00 C ATOM 320 C ARG A 24 9.997 -10.487 -13.262 1.00 0.00 C ATOM 321 O ARG A 24 10.583 -11.522 -13.582 1.00 0.00 O ATOM 322 CB ARG A 24 9.213 -10.474 -10.884 1.00 0.00 C ATOM 323 CG ARG A 24 9.754 -11.689 -10.147 1.00 0.92 C ATOM 324 CD ARG A 24 10.894 -11.316 -9.213 1.00 1.25 C ATOM 325 NE ARG A 24 10.650 -11.759 -7.842 1.00 1.84 N ATOM 326 CZ ARG A 24 10.597 -13.039 -7.472 1.00 2.34 C ATOM 327 NH1 ARG A 24 10.766 -14.006 -8.366 1.00 2.69 N ATOM 328 NH2 ARG A 24 10.374 -13.351 -6.203 1.00 3.15 N ATOM 0 H ARG A 24 9.071 -8.109 -11.976 1.00 0.00 H new ATOM 0 HA ARG A 24 11.218 -10.088 -11.549 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.933 -9.713 -10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.304 -10.757 -11.414 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.952 -12.155 -9.575 1.00 0.92 H new ATOM 0 HG3 ARG A 24 10.101 -12.428 -10.869 1.00 0.92 H new ATOM 0 HD2 ARG A 24 11.820 -11.760 -9.577 1.00 1.25 H new ATOM 0 HD3 ARG A 24 11.033 -10.235 -9.225 1.00 1.25 H new ATOM 0 HE ARG A 24 10.512 -11.047 -7.125 1.00 1.84 H new ATOM 0 HH11 ARG A 24 10.938 -13.772 -9.344 1.00 2.69 H new ATOM 0 HH12 ARG A 24 10.724 -14.983 -8.075 1.00 2.69 H new ATOM 0 HH21 ARG A 24 10.243 -12.613 -5.512 1.00 3.15 H new ATOM 0 HH22 ARG A 24 10.333 -14.330 -5.918 1.00 3.15 H new ATOM 342 N GLY A 25 9.165 -9.845 -14.079 1.00 0.00 N ATOM 343 CA GLY A 25 8.901 -10.344 -15.416 1.00 0.00 C ATOM 344 C GLY A 25 7.450 -10.181 -15.826 1.00 0.00 C ATOM 345 O GLY A 25 6.611 -11.024 -15.510 1.00 0.00 O ATOM 0 H GLY A 25 8.669 -8.987 -13.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.537 -9.818 -16.128 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.172 -11.399 -15.466 1.00 0.00 H new ATOM 349 N TYR A 26 7.149 -9.094 -16.536 1.00 0.00 N ATOM 350 CA TYR A 26 5.786 -8.835 -16.989 1.00 0.00 C ATOM 351 C TYR A 26 5.761 -7.798 -18.113 1.00 0.00 C ATOM 352 O TYR A 26 6.783 -7.532 -18.744 1.00 0.00 O ATOM 353 CB TYR A 26 4.914 -8.373 -15.820 1.00 0.01 C ATOM 354 CG TYR A 26 3.581 -9.084 -15.753 1.00 0.16 C ATOM 355 CD1 TYR A 26 3.507 -10.469 -15.849 1.00 1.12 C ATOM 356 CD2 TYR A 26 2.398 -8.373 -15.596 1.00 1.29 C ATOM 357 CE1 TYR A 26 2.291 -11.124 -15.791 1.00 1.11 C ATOM 358 CE2 TYR A 26 1.178 -9.022 -15.538 1.00 1.37 C ATOM 359 CZ TYR A 26 1.131 -10.396 -15.635 1.00 0.45 C ATOM 360 OH TYR A 26 -0.082 -11.046 -15.577 1.00 0.59 O ATOM 0 H TYR A 26 7.828 -8.383 -16.808 1.00 0.00 H new ATOM 0 HA TYR A 26 5.382 -9.767 -17.384 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.453 -8.536 -14.887 1.00 0.01 H new ATOM 0 HB3 TYR A 26 4.742 -7.300 -15.905 1.00 0.01 H new ATOM 0 HD1 TYR A 26 4.414 -11.042 -15.971 1.00 1.12 H new ATOM 0 HD2 TYR A 26 2.431 -7.296 -15.518 1.00 1.29 H new ATOM 0 HE1 TYR A 26 2.250 -12.201 -15.868 1.00 1.11 H new ATOM 0 HE2 TYR A 26 0.267 -8.455 -15.417 1.00 1.37 H new ATOM 0 HH TYR A 26 0.043 -11.938 -15.190 1.00 0.59 H new ATOM 370 N GLU A 27 4.582 -7.230 -18.372 1.00 0.00 N ATOM 371 CA GLU A 27 4.427 -6.240 -19.433 1.00 0.00 C ATOM 372 C GLU A 27 3.617 -5.029 -18.956 1.00 0.00 C ATOM 373 O GLU A 27 3.411 -4.849 -17.757 1.00 0.00 O ATOM 374 CB GLU A 27 3.747 -6.891 -20.641 1.00 0.00 C ATOM 375 CG GLU A 27 4.651 -7.020 -21.855 1.00 1.06 C ATOM 376 CD GLU A 27 4.714 -8.440 -22.384 1.00 1.70 C ATOM 377 OE1 GLU A 27 3.688 -8.925 -22.906 1.00 2.28 O ATOM 378 OE2 GLU A 27 5.790 -9.066 -22.278 1.00 2.48 O ATOM 0 H GLU A 27 3.724 -7.439 -17.862 1.00 0.00 H new ATOM 0 HA GLU A 27 5.416 -5.882 -19.718 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.392 -7.882 -20.357 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.870 -6.304 -20.913 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.292 -6.358 -22.643 1.00 1.06 H new ATOM 0 HG3 GLU A 27 5.656 -6.689 -21.593 1.00 1.06 H new ATOM 385 N TRP A 28 3.172 -4.209 -19.914 1.00 0.00 N ATOM 386 CA TRP A 28 2.381 -3.003 -19.636 1.00 0.00 C ATOM 387 C TRP A 28 3.244 -1.868 -19.091 1.00 0.00 C ATOM 388 O TRP A 28 4.419 -2.056 -18.778 1.00 0.00 O ATOM 389 CB TRP A 28 1.228 -3.292 -18.665 1.00 0.02 C ATOM 390 CG TRP A 28 0.265 -4.324 -19.169 1.00 0.72 C ATOM 391 CD1 TRP A 28 -0.028 -4.606 -20.472 1.00 1.88 C ATOM 392 CD2 TRP A 28 -0.540 -5.204 -18.377 1.00 0.95 C ATOM 393 NE1 TRP A 28 -0.965 -5.608 -20.540 1.00 2.18 N ATOM 394 CE2 TRP A 28 -1.295 -5.993 -19.266 1.00 1.46 C ATOM 395 CE3 TRP A 28 -0.696 -5.404 -17.003 1.00 1.82 C ATOM 396 CZ2 TRP A 28 -2.190 -6.964 -18.825 1.00 1.79 C ATOM 397 CZ3 TRP A 28 -1.584 -6.368 -16.565 1.00 2.41 C ATOM 398 CH2 TRP A 28 -2.322 -7.137 -17.474 1.00 2.11 C ATOM 0 H TRP A 28 3.350 -4.362 -20.907 1.00 0.00 H new ATOM 0 HA TRP A 28 1.960 -2.686 -20.590 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.641 -3.626 -17.713 1.00 0.02 H new ATOM 0 HB3 TRP A 28 0.687 -2.366 -18.471 1.00 0.02 H new ATOM 0 HD1 TRP A 28 0.413 -4.113 -21.326 1.00 1.88 H new ATOM 0 HE1 TRP A 28 -1.352 -6.001 -21.398 1.00 2.18 H new ATOM 0 HE3 TRP A 28 -0.132 -4.815 -16.295 1.00 1.82 H new ATOM 0 HZ2 TRP A 28 -2.759 -7.559 -19.524 1.00 1.79 H new ATOM 0 HZ3 TRP A 28 -1.711 -6.531 -15.505 1.00 2.41 H new ATOM 0 HH2 TRP A 28 -3.009 -7.882 -17.101 1.00 2.11 H new ATOM 409 N ASP A 29 2.640 -0.682 -18.991 1.00 0.00 N ATOM 410 CA ASP A 29 3.331 0.503 -18.492 1.00 0.00 C ATOM 411 C ASP A 29 2.390 1.708 -18.478 1.00 0.00 C ATOM 412 O ASP A 29 1.546 1.858 -19.362 1.00 0.00 O ATOM 413 CB ASP A 29 4.556 0.809 -19.357 1.00 0.00 C ATOM 414 CG ASP A 29 4.532 2.216 -19.921 1.00 1.27 C ATOM 415 OD1 ASP A 29 4.670 3.174 -19.133 1.00 2.07 O ATOM 416 OD2 ASP A 29 4.376 2.359 -21.152 1.00 2.06 O ATOM 0 H ASP A 29 1.667 -0.519 -19.252 1.00 0.00 H new ATOM 0 HA ASP A 29 3.659 0.303 -17.472 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.459 0.675 -18.762 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.605 0.093 -20.177 1.00 0.00 H new ATOM 421 N GLU A 48 2.536 2.564 -17.467 1.00 0.00 N ATOM 422 CA GLU A 48 1.695 3.750 -17.341 1.00 0.00 C ATOM 423 C GLU A 48 2.512 5.026 -17.542 1.00 0.00 C ATOM 424 O GLU A 48 3.743 4.989 -17.549 1.00 0.00 O ATOM 425 CB GLU A 48 1.012 3.767 -15.969 1.00 0.02 C ATOM 426 CG GLU A 48 -0.148 4.748 -15.864 1.00 0.51 C ATOM 427 CD GLU A 48 -1.085 4.693 -17.057 1.00 1.21 C ATOM 428 OE1 GLU A 48 -0.709 5.208 -18.131 1.00 2.02 O ATOM 429 OE2 GLU A 48 -2.194 4.138 -16.916 1.00 1.93 O ATOM 0 H GLU A 48 3.228 2.457 -16.725 1.00 0.00 H new ATOM 0 HA GLU A 48 0.932 3.712 -18.118 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.648 2.765 -15.744 1.00 0.02 H new ATOM 0 HB3 GLU A 48 1.753 4.015 -15.209 1.00 0.02 H new ATOM 0 HG2 GLU A 48 -0.713 4.537 -14.956 1.00 0.51 H new ATOM 0 HG3 GLU A 48 0.247 5.759 -15.766 1.00 0.51 H new ATOM 436 N VAL A 89 1.823 6.153 -17.714 1.00 0.00 N ATOM 437 CA VAL A 89 2.493 7.435 -17.923 1.00 0.00 C ATOM 438 C VAL A 89 2.589 8.241 -16.629 1.00 0.00 C ATOM 439 O VAL A 89 3.592 8.909 -16.380 1.00 0.00 O ATOM 440 CB VAL A 89 1.786 8.289 -18.999 1.00 0.02 C ATOM 441 CG1 VAL A 89 0.272 8.221 -18.854 1.00 1.41 C ATOM 442 CG2 VAL A 89 2.265 9.732 -18.932 1.00 1.39 C ATOM 0 H VAL A 89 0.804 6.204 -17.713 1.00 0.00 H new ATOM 0 HA VAL A 89 3.498 7.195 -18.269 1.00 0.00 H new ATOM 0 HB VAL A 89 2.045 7.879 -19.975 1.00 0.02 H new ATOM 0 HG11 VAL A 89 -0.195 8.833 -19.626 1.00 1.41 H new ATOM 0 HG12 VAL A 89 -0.058 7.188 -18.961 1.00 1.41 H new ATOM 0 HG13 VAL A 89 -0.017 8.594 -17.871 1.00 1.41 H new ATOM 0 HG21 VAL A 89 1.757 10.320 -19.697 1.00 1.39 H new ATOM 0 HG22 VAL A 89 2.041 10.145 -17.948 1.00 1.39 H new ATOM 0 HG23 VAL A 89 3.341 9.767 -19.103 1.00 1.39 H new ATOM 452 N VAL A 90 1.546 8.172 -15.808 1.00 0.00 N ATOM 453 CA VAL A 90 1.523 8.895 -14.541 1.00 0.00 C ATOM 454 C VAL A 90 2.216 8.114 -13.422 1.00 0.00 C ATOM 455 O VAL A 90 2.306 8.594 -12.293 1.00 0.00 O ATOM 456 CB VAL A 90 0.082 9.210 -14.101 1.00 0.01 C ATOM 457 CG1 VAL A 90 -0.781 9.559 -15.303 1.00 1.39 C ATOM 458 CG2 VAL A 90 -0.506 8.036 -13.333 1.00 1.38 C ATOM 0 H VAL A 90 0.707 7.624 -15.997 1.00 0.00 H new ATOM 0 HA VAL A 90 2.066 9.825 -14.713 1.00 0.00 H new ATOM 0 HB VAL A 90 0.103 10.075 -13.439 1.00 0.01 H new ATOM 0 HG11 VAL A 90 -1.796 9.778 -14.971 1.00 1.39 H new ATOM 0 HG12 VAL A 90 -0.367 10.433 -15.807 1.00 1.39 H new ATOM 0 HG13 VAL A 90 -0.800 8.717 -15.994 1.00 1.39 H new ATOM 0 HG21 VAL A 90 -1.525 8.274 -13.029 1.00 1.38 H new ATOM 0 HG22 VAL A 90 -0.515 7.152 -13.971 1.00 1.38 H new ATOM 0 HG23 VAL A 90 0.100 7.840 -12.449 1.00 1.38 H new ATOM 468 N HIS A 91 2.702 6.911 -13.731 1.00 0.00 N ATOM 469 CA HIS A 91 3.377 6.086 -12.738 1.00 0.00 C ATOM 470 C HIS A 91 4.540 6.839 -12.095 1.00 0.00 C ATOM 471 O HIS A 91 4.903 6.573 -10.952 1.00 0.00 O ATOM 472 CB HIS A 91 3.882 4.794 -13.382 1.00 0.00 C ATOM 473 CG HIS A 91 5.371 4.740 -13.530 1.00 0.67 C ATOM 474 ND1 HIS A 91 6.064 5.502 -14.445 1.00 1.48 N ATOM 475 CD2 HIS A 91 6.300 4.005 -12.874 1.00 1.40 C ATOM 476 CE1 HIS A 91 7.355 5.240 -14.347 1.00 1.77 C ATOM 477 NE2 HIS A 91 7.524 4.336 -13.400 1.00 1.67 N ATOM 0 H HIS A 91 2.639 6.491 -14.658 1.00 0.00 H new ATOM 0 HA HIS A 91 2.657 5.840 -11.957 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.554 3.946 -12.781 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.423 4.684 -14.365 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.113 3.292 -12.085 1.00 1.40 H new ATOM 0 HE1 HIS A 91 8.138 5.689 -14.940 1.00 1.77 H new ATOM 0 HE2 HIS A 91 8.420 3.946 -13.106 1.00 1.67 H new ATOM 486 N LEU A 92 5.121 7.777 -12.840 1.00 0.00 N ATOM 487 CA LEU A 92 6.245 8.563 -12.340 1.00 0.00 C ATOM 488 C LEU A 92 5.966 9.102 -10.939 1.00 0.00 C ATOM 489 O LEU A 92 6.881 9.250 -10.129 1.00 0.00 O ATOM 490 CB LEU A 92 6.545 9.722 -13.293 1.00 0.00 C ATOM 491 CG LEU A 92 7.782 9.531 -14.172 1.00 0.43 C ATOM 492 CD1 LEU A 92 8.026 10.768 -15.024 1.00 1.49 C ATOM 493 CD2 LEU A 92 9.000 9.222 -13.314 1.00 1.16 C ATOM 0 H LEU A 92 4.832 8.010 -13.790 1.00 0.00 H new ATOM 0 HA LEU A 92 7.113 7.906 -12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.680 9.876 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.671 10.632 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 92 7.607 8.686 -14.838 1.00 0.43 H new ATOM 0 HD11 LEU A 92 8.910 10.615 -15.643 1.00 1.49 H new ATOM 0 HD12 LEU A 92 7.161 10.946 -15.663 1.00 1.49 H new ATOM 0 HD13 LEU A 92 8.182 11.631 -14.376 1.00 1.49 H new ATOM 0 HD21 LEU A 92 9.872 9.089 -13.954 1.00 1.16 H new ATOM 0 HD22 LEU A 92 9.179 10.047 -12.625 1.00 1.16 H new ATOM 0 HD23 LEU A 92 8.823 8.308 -12.747 1.00 1.16 H new ATOM 505 N THR A 93 4.700 9.393 -10.661 1.00 0.00 N ATOM 506 CA THR A 93 4.307 9.914 -9.356 1.00 0.00 C ATOM 507 C THR A 93 4.123 8.786 -8.347 1.00 0.00 C ATOM 508 O THR A 93 4.893 8.657 -7.396 1.00 0.00 O ATOM 509 CB THR A 93 3.000 10.725 -9.444 1.00 0.00 C ATOM 510 OG1 THR A 93 2.429 10.595 -10.751 1.00 1.26 O ATOM 511 CG2 THR A 93 3.255 12.194 -9.141 1.00 1.34 C ATOM 0 H THR A 93 3.930 9.278 -11.320 1.00 0.00 H new ATOM 0 HA THR A 93 5.111 10.570 -9.023 1.00 0.00 H new ATOM 0 HB THR A 93 2.304 10.332 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.218 9.654 -10.924 1.00 1.26 H new ATOM 0 HG21 THR A 93 2.318 12.747 -9.209 1.00 1.34 H new ATOM 0 HG22 THR A 93 3.663 12.293 -8.135 1.00 1.34 H new ATOM 0 HG23 THR A 93 3.967 12.596 -9.862 1.00 1.34 H new ATOM 519 N LEU A 94 3.096 7.973 -8.563 1.00 0.00 N ATOM 520 CA LEU A 94 2.803 6.855 -7.676 1.00 0.00 C ATOM 521 C LEU A 94 4.048 6.001 -7.438 1.00 0.00 C ATOM 522 O LEU A 94 4.226 5.432 -6.362 1.00 0.00 O ATOM 523 CB LEU A 94 1.685 5.994 -8.265 1.00 0.00 C ATOM 524 CG LEU A 94 0.306 6.654 -8.298 1.00 0.15 C ATOM 525 CD1 LEU A 94 -0.049 7.074 -9.717 1.00 1.24 C ATOM 526 CD2 LEU A 94 -0.749 5.709 -7.741 1.00 1.08 C ATOM 0 H LEU A 94 2.451 8.068 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 94 2.478 7.260 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.961 5.714 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.615 5.072 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 94 0.334 7.546 -7.672 1.00 0.15 H new ATOM 0 HD11 LEU A 94 -1.033 7.542 -9.722 1.00 1.24 H new ATOM 0 HD12 LEU A 94 0.692 7.784 -10.082 1.00 1.24 H new ATOM 0 HD13 LEU A 94 -0.061 6.197 -10.364 1.00 1.24 H new ATOM 0 HD21 LEU A 94 -1.725 6.194 -7.772 1.00 1.08 H new ATOM 0 HD22 LEU A 94 -0.777 4.800 -8.342 1.00 1.08 H new ATOM 0 HD23 LEU A 94 -0.502 5.455 -6.710 1.00 1.08 H new ATOM 538 N ARG A 95 4.904 5.916 -8.452 1.00 0.00 N ATOM 539 CA ARG A 95 6.131 5.132 -8.358 1.00 0.00 C ATOM 540 C ARG A 95 7.064 5.698 -7.293 1.00 0.00 C ATOM 541 O ARG A 95 7.284 5.077 -6.254 1.00 0.00 O ATOM 542 CB ARG A 95 6.846 5.100 -9.711 1.00 0.01 C ATOM 543 CG ARG A 95 8.230 4.473 -9.656 1.00 0.22 C ATOM 544 CD ARG A 95 9.311 5.524 -9.460 1.00 1.14 C ATOM 545 NE ARG A 95 10.491 5.255 -10.278 1.00 1.36 N ATOM 546 CZ ARG A 95 11.293 4.206 -10.106 1.00 1.93 C ATOM 547 NH1 ARG A 95 11.051 3.322 -9.144 1.00 2.67 N ATOM 548 NH2 ARG A 95 12.344 4.040 -10.898 1.00 2.36 N ATOM 0 H ARG A 95 4.770 6.381 -9.350 1.00 0.00 H new ATOM 0 HA ARG A 95 5.859 4.116 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.234 4.546 -10.423 1.00 0.01 H new ATOM 0 HB3 ARG A 95 6.933 6.118 -10.090 1.00 0.01 H new ATOM 0 HG2 ARG A 95 8.271 3.751 -8.841 1.00 0.22 H new ATOM 0 HG3 ARG A 95 8.418 3.923 -10.578 1.00 0.22 H new ATOM 0 HD2 ARG A 95 8.911 6.506 -9.712 1.00 1.14 H new ATOM 0 HD3 ARG A 95 9.598 5.557 -8.409 1.00 1.14 H new ATOM 0 HE ARG A 95 10.714 5.911 -11.027 1.00 1.36 H new ATOM 0 HH11 ARG A 95 10.246 3.444 -8.530 1.00 2.67 H new ATOM 0 HH12 ARG A 95 11.671 2.521 -9.019 1.00 2.67 H new ATOM 0 HH21 ARG A 95 12.537 4.715 -11.638 1.00 2.36 H new ATOM 0 HH22 ARG A 95 12.959 3.237 -10.767 1.00 2.36 H new ATOM 562 N GLN A 96 7.612 6.879 -7.562 1.00 0.00 N ATOM 563 CA GLN A 96 8.524 7.530 -6.628 1.00 0.00 C ATOM 564 C GLN A 96 7.956 7.519 -5.213 1.00 0.00 C ATOM 565 O GLN A 96 8.698 7.403 -4.237 1.00 0.00 O ATOM 566 CB GLN A 96 8.799 8.968 -7.070 1.00 0.00 C ATOM 567 CG GLN A 96 10.268 9.348 -7.022 1.00 0.67 C ATOM 568 CD GLN A 96 10.478 10.845 -6.906 1.00 1.31 C ATOM 569 OE1 GLN A 96 9.562 11.632 -7.151 1.00 2.31 O ATOM 570 NE2 GLN A 96 11.686 11.247 -6.534 1.00 1.45 N ATOM 0 H GLN A 96 7.440 7.405 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 96 9.461 6.973 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.430 9.104 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.235 9.649 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.741 8.852 -6.175 1.00 0.67 H new ATOM 0 HG3 GLN A 96 10.764 8.984 -7.922 1.00 0.67 H new ATOM 0 HE21 GLN A 96 12.415 10.560 -6.341 1.00 1.45 H new ATOM 0 HE22 GLN A 96 11.886 12.243 -6.441 1.00 1.45 H new ATOM 579 N ALA A 97 6.637 7.638 -5.109 1.00 0.00 N ATOM 580 CA ALA A 97 5.970 7.639 -3.813 1.00 0.00 C ATOM 581 C ALA A 97 5.858 6.223 -3.257 1.00 0.00 C ATOM 582 O ALA A 97 5.903 6.016 -2.044 1.00 0.00 O ATOM 583 CB ALA A 97 4.593 8.273 -3.928 1.00 0.00 C ATOM 0 H ALA A 97 6.009 7.735 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 97 6.571 8.229 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.107 8.267 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.694 9.301 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.990 7.707 -4.638 1.00 0.00 H new ATOM 589 N GLY A 98 5.711 5.253 -4.151 1.00 0.00 N ATOM 590 CA GLY A 98 5.595 3.868 -3.732 1.00 0.00 C ATOM 591 C GLY A 98 6.936 3.251 -3.385 1.00 0.00 C ATOM 592 O GLY A 98 7.078 2.603 -2.349 1.00 0.00 O ATOM 0 H GLY A 98 5.670 5.400 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.936 3.808 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.128 3.289 -4.528 1.00 0.00 H new ATOM 596 N ASP A 99 7.920 3.453 -4.255 1.00 0.00 N ATOM 597 CA ASP A 99 9.257 2.911 -4.037 1.00 0.00 C ATOM 598 C ASP A 99 9.805 3.338 -2.679 1.00 0.00 C ATOM 599 O ASP A 99 10.287 2.511 -1.905 1.00 0.00 O ATOM 600 CB ASP A 99 10.203 3.370 -5.148 1.00 0.00 C ATOM 601 CG ASP A 99 11.643 2.980 -4.879 1.00 1.01 C ATOM 602 OD1 ASP A 99 11.923 1.767 -4.786 1.00 1.62 O ATOM 603 OD2 ASP A 99 12.492 3.889 -4.762 1.00 1.88 O ATOM 0 H ASP A 99 7.817 3.988 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 99 9.187 1.823 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.883 2.937 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.136 4.453 -5.254 1.00 0.00 H new ATOM 608 N ASP A 100 9.728 4.634 -2.397 1.00 0.00 N ATOM 609 CA ASP A 100 10.216 5.172 -1.132 1.00 0.00 C ATOM 610 C ASP A 100 9.465 4.559 0.046 1.00 0.00 C ATOM 611 O ASP A 100 10.031 4.366 1.122 1.00 0.00 O ATOM 612 CB ASP A 100 10.069 6.694 -1.111 1.00 0.01 C ATOM 613 CG ASP A 100 11.201 7.394 -1.837 1.00 0.13 C ATOM 614 OD1 ASP A 100 11.213 7.365 -3.085 1.00 1.04 O ATOM 615 OD2 ASP A 100 12.076 7.970 -1.157 1.00 1.10 O ATOM 0 H ASP A 100 9.332 5.332 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 100 11.271 4.915 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.120 6.971 -1.570 1.00 0.01 H new ATOM 0 HB3 ASP A 100 10.036 7.039 -0.078 1.00 0.01 H new ATOM 620 N PHE A 101 8.188 4.257 -0.165 1.00 0.00 N ATOM 621 CA PHE A 101 7.359 3.666 0.879 1.00 0.00 C ATOM 622 C PHE A 101 7.837 2.260 1.225 1.00 0.00 C ATOM 623 O PHE A 101 8.162 1.969 2.376 1.00 0.00 O ATOM 624 CB PHE A 101 5.898 3.619 0.431 1.00 0.01 C ATOM 625 CG PHE A 101 5.038 2.737 1.288 1.00 0.13 C ATOM 626 CD1 PHE A 101 4.687 3.124 2.571 1.00 0.97 C ATOM 627 CD2 PHE A 101 4.580 1.520 0.810 1.00 1.12 C ATOM 628 CE1 PHE A 101 3.896 2.314 3.361 1.00 0.96 C ATOM 629 CE2 PHE A 101 3.789 0.705 1.596 1.00 1.19 C ATOM 630 CZ PHE A 101 3.446 1.103 2.874 1.00 0.36 C ATOM 0 H PHE A 101 7.705 4.412 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 101 7.443 4.289 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.491 4.630 0.440 1.00 0.01 H new ATOM 0 HB3 PHE A 101 5.853 3.266 -0.599 1.00 0.01 H new ATOM 0 HD1 PHE A 101 5.036 4.070 2.958 1.00 0.97 H new ATOM 0 HD2 PHE A 101 4.844 1.205 -0.189 1.00 1.12 H new ATOM 0 HE1 PHE A 101 3.629 2.627 4.360 1.00 0.96 H new ATOM 0 HE2 PHE A 101 3.439 -0.242 1.212 1.00 1.19 H new ATOM 0 HZ PHE A 101 2.827 0.468 3.491 1.00 0.36 H new ATOM 640 N SER A 102 7.872 1.392 0.220 1.00 0.00 N ATOM 641 CA SER A 102 8.305 0.013 0.414 1.00 0.00 C ATOM 642 C SER A 102 9.613 -0.047 1.195 1.00 0.00 C ATOM 643 O SER A 102 9.789 -0.900 2.064 1.00 0.00 O ATOM 644 CB SER A 102 8.472 -0.682 -0.938 1.00 0.00 C ATOM 645 OG SER A 102 9.841 -0.834 -1.269 1.00 1.18 O ATOM 0 H SER A 102 7.606 1.619 -0.738 1.00 0.00 H new ATOM 0 HA SER A 102 7.538 -0.504 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.991 -1.660 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.970 -0.102 -1.713 1.00 0.00 H new ATOM 0 HG SER A 102 9.920 -1.282 -2.137 1.00 1.18 H new ATOM 651 N ARG A 103 10.528 0.862 0.879 1.00 0.00 N ATOM 652 CA ARG A 103 11.820 0.910 1.551 1.00 0.00 C ATOM 653 C ARG A 103 11.668 1.380 2.994 1.00 0.00 C ATOM 654 O ARG A 103 12.115 0.713 3.926 1.00 0.00 O ATOM 655 CB ARG A 103 12.776 1.837 0.800 1.00 0.00 C ATOM 656 CG ARG A 103 14.232 1.411 0.895 1.00 0.42 C ATOM 657 CD ARG A 103 14.975 1.673 -0.405 1.00 0.79 C ATOM 658 NE ARG A 103 16.299 2.243 -0.172 1.00 1.37 N ATOM 659 CZ ARG A 103 17.194 2.464 -1.132 1.00 1.91 C ATOM 660 NH1 ARG A 103 16.908 2.179 -2.398 1.00 2.40 N ATOM 661 NH2 ARG A 103 18.378 2.976 -0.828 1.00 2.66 N ATOM 0 H ARG A 103 10.399 1.576 0.162 1.00 0.00 H new ATOM 0 HA ARG A 103 12.233 -0.099 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.484 1.874 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.675 2.848 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.718 1.951 1.708 1.00 0.42 H new ATOM 0 HG3 ARG A 103 14.287 0.350 1.139 1.00 0.42 H new ATOM 0 HD2 ARG A 103 15.074 0.740 -0.960 1.00 0.79 H new ATOM 0 HD3 ARG A 103 14.391 2.353 -1.026 1.00 0.79 H new ATOM 0 HE ARG A 103 16.554 2.487 0.785 1.00 1.37 H new ATOM 0 HH11 ARG A 103 15.997 1.788 -2.640 1.00 2.40 H new ATOM 0 HH12 ARG A 103 17.599 2.351 -3.128 1.00 2.40 H new ATOM 0 HH21 ARG A 103 18.603 3.200 0.141 1.00 2.66 H new ATOM 0 HH22 ARG A 103 19.064 3.146 -1.563 1.00 2.66 H new ATOM 675 N ARG A 104 11.034 2.534 3.171 1.00 0.00 N ATOM 676 CA ARG A 104 10.824 3.096 4.501 1.00 0.00 C ATOM 677 C ARG A 104 10.001 2.150 5.370 1.00 0.00 C ATOM 678 O ARG A 104 10.451 1.713 6.428 1.00 0.00 O ATOM 679 CB ARG A 104 10.126 4.451 4.399 1.00 0.00 C ATOM 680 CG ARG A 104 10.926 5.594 5.004 1.00 0.65 C ATOM 681 CD ARG A 104 10.645 6.908 4.294 1.00 0.84 C ATOM 682 NE ARG A 104 11.630 7.933 4.633 1.00 0.99 N ATOM 683 CZ ARG A 104 11.598 8.655 5.752 1.00 1.07 C ATOM 684 NH1 ARG A 104 10.636 8.466 6.649 1.00 1.78 N ATOM 685 NH2 ARG A 104 12.533 9.568 5.977 1.00 1.41 N ATOM 0 H ARG A 104 10.656 3.099 2.410 1.00 0.00 H new ATOM 0 HA ARG A 104 11.799 3.231 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 104 9.930 4.671 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 104 9.159 4.391 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 104 10.681 5.691 6.062 1.00 0.65 H new ATOM 0 HG3 ARG A 104 11.990 5.367 4.943 1.00 0.65 H new ATOM 0 HD2 ARG A 104 10.647 6.746 3.216 1.00 0.84 H new ATOM 0 HD3 ARG A 104 9.649 7.259 4.562 1.00 0.84 H new ATOM 0 HE ARG A 104 12.388 8.106 3.973 1.00 0.99 H new ATOM 0 HH11 ARG A 104 9.915 7.764 6.483 1.00 1.78 H new ATOM 0 HH12 ARG A 104 10.619 9.023 7.503 1.00 1.78 H new ATOM 0 HH21 ARG A 104 13.275 9.717 5.294 1.00 1.41 H new ATOM 0 HH22 ARG A 104 12.510 10.122 6.833 1.00 1.41 H new ATOM 699 N TYR A 105 8.793 1.837 4.914 1.00 0.00 N ATOM 700 CA TYR A 105 7.908 0.941 5.650 1.00 0.00 C ATOM 701 C TYR A 105 7.960 -0.467 5.067 1.00 0.00 C ATOM 702 O TYR A 105 6.931 -1.040 4.710 1.00 0.00 O ATOM 703 CB TYR A 105 6.472 1.468 5.617 1.00 0.01 C ATOM 704 CG TYR A 105 6.245 2.668 6.510 1.00 0.08 C ATOM 705 CD1 TYR A 105 6.528 3.952 6.064 1.00 0.78 C ATOM 706 CD2 TYR A 105 5.748 2.515 7.798 1.00 0.82 C ATOM 707 CE1 TYR A 105 6.324 5.051 6.877 1.00 0.79 C ATOM 708 CE2 TYR A 105 5.539 3.609 8.617 1.00 0.85 C ATOM 709 CZ TYR A 105 5.829 4.874 8.152 1.00 0.24 C ATOM 710 OH TYR A 105 5.623 5.965 8.963 1.00 0.31 O ATOM 0 H TYR A 105 8.404 2.190 4.039 1.00 0.00 H new ATOM 0 HA TYR A 105 8.247 0.901 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 105 6.216 1.735 4.592 1.00 0.01 H new ATOM 0 HB3 TYR A 105 5.794 0.669 5.917 1.00 0.01 H new ATOM 0 HD1 TYR A 105 6.914 4.094 5.065 1.00 0.78 H new ATOM 0 HD2 TYR A 105 5.521 1.525 8.166 1.00 0.82 H new ATOM 0 HE1 TYR A 105 6.551 6.043 6.516 1.00 0.79 H new ATOM 0 HE2 TYR A 105 5.151 3.473 9.616 1.00 0.85 H new ATOM 0 HH TYR A 105 5.270 5.668 9.828 1.00 0.31 H new ATOM 720 N ARG A 106 9.167 -1.016 4.974 1.00 0.00 N ATOM 721 CA ARG A 106 9.356 -2.357 4.434 1.00 0.00 C ATOM 722 C ARG A 106 8.918 -3.415 5.441 1.00 0.00 C ATOM 723 O ARG A 106 8.251 -4.386 5.086 1.00 0.00 O ATOM 724 CB ARG A 106 10.821 -2.572 4.050 1.00 0.01 C ATOM 725 CG ARG A 106 11.009 -3.504 2.864 1.00 0.76 C ATOM 726 CD ARG A 106 12.481 -3.710 2.546 1.00 1.07 C ATOM 727 NE ARG A 106 12.739 -5.033 1.982 1.00 1.29 N ATOM 728 CZ ARG A 106 13.831 -5.347 1.290 1.00 2.14 C ATOM 729 NH1 ARG A 106 14.775 -4.437 1.070 1.00 2.93 N ATOM 730 NH2 ARG A 106 13.982 -6.576 0.815 1.00 2.61 N ATOM 0 H ARG A 106 10.028 -0.553 5.265 1.00 0.00 H new ATOM 0 HA ARG A 106 8.737 -2.455 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 106 11.272 -1.607 3.818 1.00 0.01 H new ATOM 0 HB3 ARG A 106 11.357 -2.977 4.908 1.00 0.01 H new ATOM 0 HG2 ARG A 106 10.544 -4.466 3.079 1.00 0.76 H new ATOM 0 HG3 ARG A 106 10.501 -3.092 1.992 1.00 0.76 H new ATOM 0 HD2 ARG A 106 12.810 -2.945 1.842 1.00 1.07 H new ATOM 0 HD3 ARG A 106 13.070 -3.582 3.454 1.00 1.07 H new ATOM 0 HE ARG A 106 12.039 -5.760 2.128 1.00 1.29 H new ATOM 0 HH11 ARG A 106 14.665 -3.490 1.433 1.00 2.93 H new ATOM 0 HH12 ARG A 106 15.609 -4.686 0.538 1.00 2.93 H new ATOM 0 HH21 ARG A 106 13.262 -7.279 0.980 1.00 2.61 H new ATOM 0 HH22 ARG A 106 14.819 -6.818 0.284 1.00 2.61 H new ATOM 744 N ARG A 107 9.298 -3.220 6.699 1.00 0.00 N ATOM 745 CA ARG A 107 8.944 -4.156 7.759 1.00 0.00 C ATOM 746 C ARG A 107 7.454 -4.084 8.073 1.00 0.00 C ATOM 747 O ARG A 107 6.762 -5.102 8.092 1.00 0.00 O ATOM 748 CB ARG A 107 9.759 -3.864 9.020 1.00 0.02 C ATOM 749 CG ARG A 107 11.071 -4.627 9.085 1.00 1.30 C ATOM 750 CD ARG A 107 12.193 -3.761 9.634 1.00 1.72 C ATOM 751 NE ARG A 107 11.882 -3.239 10.962 1.00 2.41 N ATOM 752 CZ ARG A 107 11.854 -3.983 12.066 1.00 3.31 C ATOM 753 NH1 ARG A 107 12.120 -5.284 12.010 1.00 3.74 N ATOM 754 NH2 ARG A 107 11.560 -3.425 13.232 1.00 4.22 N ATOM 0 H ARG A 107 9.852 -2.421 7.009 1.00 0.00 H new ATOM 0 HA ARG A 107 9.175 -5.163 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 107 9.967 -2.795 9.069 1.00 0.02 H new ATOM 0 HB3 ARG A 107 9.160 -4.113 9.896 1.00 0.02 H new ATOM 0 HG2 ARG A 107 10.949 -5.509 9.714 1.00 1.30 H new ATOM 0 HG3 ARG A 107 11.337 -4.981 8.089 1.00 1.30 H new ATOM 0 HD2 ARG A 107 13.112 -4.345 9.680 1.00 1.72 H new ATOM 0 HD3 ARG A 107 12.377 -2.931 8.952 1.00 1.72 H new ATOM 0 HE ARG A 107 11.674 -2.244 11.049 1.00 2.41 H new ATOM 0 HH11 ARG A 107 12.348 -5.720 11.116 1.00 3.74 H new ATOM 0 HH12 ARG A 107 12.096 -5.846 12.861 1.00 3.74 H new ATOM 0 HH21 ARG A 107 11.356 -2.427 13.283 1.00 4.22 H new ATOM 0 HH22 ARG A 107 11.538 -3.994 14.078 1.00 4.22 H new ATOM 768 N ASP A 108 6.963 -2.872 8.315 1.00 0.00 N ATOM 769 CA ASP A 108 5.554 -2.669 8.626 1.00 0.00 C ATOM 770 C ASP A 108 4.669 -3.242 7.523 1.00 0.00 C ATOM 771 O ASP A 108 3.583 -3.757 7.789 1.00 0.00 O ATOM 772 CB ASP A 108 5.260 -1.178 8.809 1.00 0.00 C ATOM 773 CG ASP A 108 5.034 -0.807 10.260 1.00 0.67 C ATOM 774 OD1 ASP A 108 4.276 -1.525 10.947 1.00 1.48 O ATOM 775 OD2 ASP A 108 5.614 0.202 10.713 1.00 1.32 O ATOM 0 H ASP A 108 7.520 -2.018 8.301 1.00 0.00 H new ATOM 0 HA ASP A 108 5.332 -3.192 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.092 -0.595 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.378 -0.910 8.227 1.00 0.00 H new ATOM 780 N PHE A 109 5.143 -3.149 6.285 1.00 0.00 N ATOM 781 CA PHE A 109 4.399 -3.659 5.140 1.00 0.00 C ATOM 782 C PHE A 109 4.462 -5.182 5.089 1.00 0.00 C ATOM 783 O PHE A 109 3.438 -5.852 4.959 1.00 0.00 O ATOM 784 CB PHE A 109 4.952 -3.070 3.842 1.00 0.00 C ATOM 785 CG PHE A 109 4.278 -3.598 2.607 1.00 0.10 C ATOM 786 CD1 PHE A 109 3.076 -3.061 2.174 1.00 1.04 C ATOM 787 CD2 PHE A 109 4.846 -4.632 1.881 1.00 1.06 C ATOM 788 CE1 PHE A 109 2.454 -3.545 1.039 1.00 1.05 C ATOM 789 CE2 PHE A 109 4.228 -5.122 0.746 1.00 1.09 C ATOM 790 CZ PHE A 109 3.030 -4.576 0.324 1.00 0.27 C ATOM 0 H PHE A 109 6.040 -2.725 6.049 1.00 0.00 H new ATOM 0 HA PHE A 109 3.357 -3.358 5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.844 -1.986 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.019 -3.282 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.620 -2.255 2.730 1.00 1.04 H new ATOM 0 HD2 PHE A 109 5.783 -5.060 2.206 1.00 1.06 H new ATOM 0 HE1 PHE A 109 1.518 -3.117 0.712 1.00 1.05 H new ATOM 0 HE2 PHE A 109 4.680 -5.930 0.190 1.00 1.09 H new ATOM 0 HZ PHE A 109 2.546 -4.955 -0.564 1.00 0.27 H new ATOM 800 N ALA A 110 5.672 -5.723 5.193 1.00 0.00 N ATOM 801 CA ALA A 110 5.869 -7.167 5.160 1.00 0.00 C ATOM 802 C ALA A 110 5.082 -7.852 6.271 1.00 0.00 C ATOM 803 O ALA A 110 4.496 -8.915 6.067 1.00 0.00 O ATOM 804 CB ALA A 110 7.349 -7.501 5.274 1.00 0.00 C ATOM 0 H ALA A 110 6.530 -5.183 5.301 1.00 0.00 H new ATOM 0 HA ALA A 110 5.498 -7.539 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.481 -8.583 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.889 -7.049 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.739 -7.110 6.214 1.00 0.00 H new ATOM 810 N GLU A 111 5.074 -7.235 7.449 1.00 0.00 N ATOM 811 CA GLU A 111 4.357 -7.784 8.594 1.00 0.00 C ATOM 812 C GLU A 111 2.864 -7.893 8.299 1.00 0.00 C ATOM 813 O GLU A 111 2.214 -8.865 8.685 1.00 0.00 O ATOM 814 CB GLU A 111 4.582 -6.912 9.829 1.00 0.00 C ATOM 815 CG GLU A 111 5.502 -7.543 10.861 1.00 0.76 C ATOM 816 CD GLU A 111 4.907 -7.532 12.256 1.00 1.09 C ATOM 817 OE1 GLU A 111 5.074 -6.517 12.964 1.00 1.83 O ATOM 818 OE2 GLU A 111 4.274 -8.538 12.640 1.00 1.71 O ATOM 0 H GLU A 111 5.556 -6.355 7.635 1.00 0.00 H new ATOM 0 HA GLU A 111 4.745 -8.784 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.002 -5.956 9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.619 -6.700 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.718 -8.571 10.570 1.00 0.76 H new ATOM 0 HG3 GLU A 111 6.452 -7.009 10.871 1.00 0.76 H new ATOM 825 N MET A 112 2.328 -6.890 7.611 1.00 0.00 N ATOM 826 CA MET A 112 0.913 -6.873 7.262 1.00 0.00 C ATOM 827 C MET A 112 0.617 -7.877 6.153 1.00 0.00 C ATOM 828 O MET A 112 -0.459 -8.473 6.111 1.00 0.00 O ATOM 829 CB MET A 112 0.492 -5.469 6.822 1.00 0.00 C ATOM 830 CG MET A 112 -0.590 -4.857 7.697 1.00 0.36 C ATOM 831 SD MET A 112 -2.122 -5.807 7.672 1.00 1.25 S ATOM 832 CE MET A 112 -3.335 -4.497 7.820 1.00 1.26 C ATOM 0 H MET A 112 2.853 -6.079 7.284 1.00 0.00 H new ATOM 0 HA MET A 112 0.341 -7.155 8.146 1.00 0.00 H new ATOM 0 HB2 MET A 112 1.366 -4.817 6.830 1.00 0.00 H new ATOM 0 HB3 MET A 112 0.135 -5.511 5.793 1.00 0.00 H new ATOM 0 HG2 MET A 112 -0.227 -4.787 8.722 1.00 0.36 H new ATOM 0 HG3 MET A 112 -0.792 -3.840 7.361 1.00 0.36 H new ATOM 0 HE1 MET A 112 -4.274 -4.910 8.188 1.00 1.26 H new ATOM 0 HE2 MET A 112 -2.972 -3.742 8.518 1.00 1.26 H new ATOM 0 HE3 MET A 112 -3.498 -4.040 6.844 1.00 1.26 H new ATOM 842 N SER A 113 1.581 -8.060 5.255 1.00 0.00 N ATOM 843 CA SER A 113 1.425 -8.994 4.147 1.00 0.00 C ATOM 844 C SER A 113 1.348 -10.431 4.653 1.00 0.00 C ATOM 845 O SER A 113 0.501 -11.209 4.215 1.00 0.00 O ATOM 846 CB SER A 113 2.588 -8.849 3.163 1.00 0.00 C ATOM 847 OG SER A 113 2.615 -9.925 2.242 1.00 1.26 O ATOM 0 H SER A 113 2.477 -7.574 5.274 1.00 0.00 H new ATOM 0 HA SER A 113 0.492 -8.758 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.496 -7.907 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.529 -8.812 3.711 1.00 0.00 H new ATOM 0 HG SER A 113 3.366 -9.808 1.624 1.00 1.26 H new ATOM 853 N SER A 114 2.238 -10.775 5.579 1.00 0.00 N ATOM 854 CA SER A 114 2.269 -12.118 6.145 1.00 0.00 C ATOM 855 C SER A 114 0.948 -12.448 6.833 1.00 0.00 C ATOM 856 O SER A 114 0.457 -13.574 6.748 1.00 0.00 O ATOM 857 CB SER A 114 3.422 -12.247 7.143 1.00 0.00 C ATOM 858 OG SER A 114 4.051 -13.514 7.034 1.00 1.26 O ATOM 0 H SER A 114 2.946 -10.143 5.952 1.00 0.00 H new ATOM 0 HA SER A 114 2.422 -12.826 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.152 -11.458 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.047 -12.110 8.157 1.00 0.00 H new ATOM 0 HG SER A 114 4.785 -13.571 7.681 1.00 1.26 H new ATOM 864 N GLN A 115 0.377 -11.458 7.512 1.00 0.00 N ATOM 865 CA GLN A 115 -0.888 -11.641 8.213 1.00 0.00 C ATOM 866 C GLN A 115 -1.961 -12.177 7.270 1.00 0.00 C ATOM 867 O GLN A 115 -2.647 -13.150 7.582 1.00 0.00 O ATOM 868 CB GLN A 115 -1.348 -10.318 8.828 1.00 0.00 C ATOM 869 CG GLN A 115 -1.860 -10.454 10.253 1.00 0.67 C ATOM 870 CD GLN A 115 -2.575 -9.207 10.736 1.00 1.10 C ATOM 871 OE1 GLN A 115 -2.553 -8.169 10.075 1.00 1.92 O ATOM 872 NE2 GLN A 115 -3.217 -9.304 11.895 1.00 1.43 N ATOM 0 H GLN A 115 0.771 -10.521 7.591 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.733 -12.370 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.517 -9.613 8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.136 -9.893 8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.540 -11.304 10.312 1.00 0.67 H new ATOM 0 HG3 GLN A 115 -1.023 -10.669 10.917 1.00 0.67 H new ATOM 0 HE21 GLN A 115 -3.209 -10.184 12.410 1.00 1.43 H new ATOM 0 HE22 GLN A 115 -3.718 -8.498 12.270 1.00 1.43 H new ATOM 881 N LEU A 116 -2.101 -11.533 6.115 1.00 0.00 N ATOM 882 CA LEU A 116 -3.090 -11.944 5.126 1.00 0.00 C ATOM 883 C LEU A 116 -2.813 -13.360 4.630 1.00 0.00 C ATOM 884 O LEU A 116 -3.735 -14.095 4.273 1.00 0.00 O ATOM 885 CB LEU A 116 -3.093 -10.971 3.943 1.00 0.02 C ATOM 886 CG LEU A 116 -3.990 -9.745 4.115 1.00 0.37 C ATOM 887 CD1 LEU A 116 -5.429 -10.167 4.363 1.00 0.79 C ATOM 888 CD2 LEU A 116 -3.484 -8.871 5.253 1.00 1.18 C ATOM 0 H LEU A 116 -1.542 -10.725 5.842 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.069 -11.932 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.072 -10.633 3.768 1.00 0.02 H new ATOM 0 HB3 LEU A 116 -3.408 -11.510 3.050 1.00 0.02 H new ATOM 0 HG LEU A 116 -3.958 -9.163 3.194 1.00 0.37 H new ATOM 0 HD11 LEU A 116 -6.052 -9.281 4.483 1.00 0.79 H new ATOM 0 HD12 LEU A 116 -5.788 -10.751 3.516 1.00 0.79 H new ATOM 0 HD13 LEU A 116 -5.480 -10.772 5.268 1.00 0.79 H new ATOM 0 HD21 LEU A 116 -4.134 -8.003 5.362 1.00 1.18 H new ATOM 0 HD22 LEU A 116 -3.486 -9.444 6.180 1.00 1.18 H new ATOM 0 HD23 LEU A 116 -2.469 -8.539 5.033 1.00 1.18 H new ATOM 900 N HIS A 117 -1.539 -13.736 4.608 1.00 0.00 N ATOM 901 CA HIS A 117 -1.140 -15.064 4.154 1.00 0.00 C ATOM 902 C HIS A 117 -1.522 -16.132 5.175 1.00 0.00 C ATOM 903 O HIS A 117 -1.801 -17.275 4.816 1.00 0.00 O ATOM 904 CB HIS A 117 0.367 -15.105 3.895 1.00 0.00 C ATOM 905 CG HIS A 117 0.801 -16.283 3.079 1.00 1.13 C ATOM 906 ND1 HIS A 117 2.101 -16.741 3.049 1.00 2.06 N ATOM 907 CD2 HIS A 117 0.098 -17.101 2.259 1.00 2.04 C ATOM 908 CE1 HIS A 117 2.180 -17.787 2.246 1.00 2.82 C ATOM 909 NE2 HIS A 117 0.978 -18.026 1.755 1.00 2.78 N ATOM 0 H HIS A 117 -0.764 -13.140 4.899 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.669 -15.274 3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 117 0.665 -14.189 3.384 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.892 -15.122 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -0.958 -17.037 2.042 1.00 2.04 H new ATOM 0 HE1 HIS A 117 3.075 -18.351 2.028 1.00 2.82 H new ATOM 0 HE2 HIS A 117 0.742 -18.777 1.106 1.00 2.78 H new ATOM 918 N LEU A 118 -1.530 -15.751 6.448 1.00 0.00 N ATOM 919 CA LEU A 118 -1.877 -16.679 7.519 1.00 0.00 C ATOM 920 C LEU A 118 -3.365 -17.011 7.497 1.00 0.00 C ATOM 921 O LEU A 118 -3.761 -18.148 7.754 1.00 0.00 O ATOM 922 CB LEU A 118 -1.496 -16.087 8.878 1.00 0.00 C ATOM 923 CG LEU A 118 -0.929 -17.089 9.884 1.00 0.69 C ATOM 924 CD1 LEU A 118 0.591 -17.092 9.837 1.00 1.18 C ATOM 925 CD2 LEU A 118 -1.419 -16.768 11.288 1.00 1.20 C ATOM 0 H LEU A 118 -1.301 -14.808 6.763 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.317 -17.601 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.761 -15.298 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.378 -15.618 9.313 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.282 -18.084 9.615 1.00 0.69 H new ATOM 0 HD11 LEU A 118 0.976 -17.811 10.560 1.00 1.18 H new ATOM 0 HD12 LEU A 118 0.924 -17.369 8.837 1.00 1.18 H new ATOM 0 HD13 LEU A 118 0.965 -16.097 10.081 1.00 1.18 H new ATOM 0 HD21 LEU A 118 -1.006 -17.491 11.992 1.00 1.20 H new ATOM 0 HD22 LEU A 118 -1.095 -15.765 11.566 1.00 1.20 H new ATOM 0 HD23 LEU A 118 -2.508 -16.818 11.314 1.00 1.20 H new ATOM 937 N THR A 119 -4.185 -16.011 7.192 1.00 0.00 N ATOM 938 CA THR A 119 -5.631 -16.196 7.140 1.00 0.00 C ATOM 939 C THR A 119 -6.020 -17.218 6.075 1.00 0.00 C ATOM 940 O THR A 119 -5.331 -17.372 5.067 1.00 0.00 O ATOM 941 CB THR A 119 -6.357 -14.870 6.852 1.00 0.02 C ATOM 942 OG1 THR A 119 -5.746 -14.208 5.739 1.00 1.22 O ATOM 943 CG2 THR A 119 -6.324 -13.961 8.071 1.00 1.28 C ATOM 0 H THR A 119 -3.873 -15.064 6.977 1.00 0.00 H new ATOM 0 HA THR A 119 -5.936 -16.564 8.120 1.00 0.00 H new ATOM 0 HB THR A 119 -7.397 -15.094 6.613 1.00 0.02 H new ATOM 0 HG1 THR A 119 -4.970 -14.725 5.437 1.00 1.22 H new ATOM 0 HG21 THR A 119 -6.843 -13.030 7.845 1.00 1.28 H new ATOM 0 HG22 THR A 119 -6.816 -14.457 8.908 1.00 1.28 H new ATOM 0 HG23 THR A 119 -5.289 -13.745 8.336 1.00 1.28 H new ATOM 951 N PRO A 120 -7.137 -17.931 6.292 1.00 0.00 N ATOM 952 CA PRO A 120 -7.625 -18.944 5.354 1.00 0.00 C ATOM 953 C PRO A 120 -8.347 -18.345 4.146 1.00 0.00 C ATOM 954 O PRO A 120 -8.595 -19.040 3.161 1.00 0.00 O ATOM 955 CB PRO A 120 -8.599 -19.753 6.207 1.00 0.01 C ATOM 956 CG PRO A 120 -9.128 -18.776 7.200 1.00 0.02 C ATOM 957 CD PRO A 120 -8.010 -17.803 7.473 1.00 0.00 C ATOM 0 HA PRO A 120 -6.809 -19.525 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -9.400 -20.176 5.601 1.00 0.01 H new ATOM 0 HB3 PRO A 120 -8.098 -20.587 6.699 1.00 0.01 H new ATOM 0 HG2 PRO A 120 -10.005 -18.261 6.809 1.00 0.02 H new ATOM 0 HG3 PRO A 120 -9.437 -19.281 8.116 1.00 0.02 H new ATOM 0 HD2 PRO A 120 -8.384 -16.785 7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -7.479 -18.051 8.392 1.00 0.00 H new ATOM 965 N PHE A 121 -8.687 -17.058 4.225 1.00 0.00 N ATOM 966 CA PHE A 121 -9.381 -16.382 3.136 1.00 0.00 C ATOM 967 C PHE A 121 -8.718 -16.676 1.794 1.00 0.00 C ATOM 968 O PHE A 121 -7.620 -17.232 1.742 1.00 0.00 O ATOM 969 CB PHE A 121 -9.410 -14.873 3.382 1.00 0.00 C ATOM 970 CG PHE A 121 -10.125 -14.485 4.645 1.00 0.26 C ATOM 971 CD1 PHE A 121 -11.291 -15.133 5.022 1.00 0.94 C ATOM 972 CD2 PHE A 121 -9.632 -13.476 5.456 1.00 1.33 C ATOM 973 CE1 PHE A 121 -11.952 -14.780 6.183 1.00 0.93 C ATOM 974 CE2 PHE A 121 -10.288 -13.119 6.618 1.00 1.51 C ATOM 975 CZ PHE A 121 -11.450 -13.772 6.983 1.00 0.76 C ATOM 0 H PHE A 121 -8.492 -16.466 5.032 1.00 0.00 H new ATOM 0 HA PHE A 121 -10.403 -16.760 3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.387 -14.500 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.893 -14.384 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -11.687 -15.923 4.401 1.00 0.94 H new ATOM 0 HD2 PHE A 121 -8.724 -12.962 5.176 1.00 1.33 H new ATOM 0 HE1 PHE A 121 -12.860 -15.292 6.465 1.00 0.93 H new ATOM 0 HE2 PHE A 121 -9.893 -12.330 7.241 1.00 1.51 H new ATOM 0 HZ PHE A 121 -11.964 -13.495 7.891 1.00 0.76 H new ATOM 985 N THR A 122 -9.392 -16.300 0.712 1.00 0.00 N ATOM 986 CA THR A 122 -8.871 -16.525 -0.630 1.00 0.00 C ATOM 987 C THR A 122 -8.258 -15.253 -1.204 1.00 0.00 C ATOM 988 O THR A 122 -8.182 -14.228 -0.526 1.00 0.00 O ATOM 989 CB THR A 122 -9.972 -17.026 -1.582 1.00 0.00 C ATOM 990 OG1 THR A 122 -11.262 -16.670 -1.069 1.00 1.26 O ATOM 991 CG2 THR A 122 -9.891 -18.535 -1.758 1.00 1.33 C ATOM 0 H THR A 122 -10.301 -15.838 0.739 1.00 0.00 H new ATOM 0 HA THR A 122 -8.098 -17.289 -0.545 1.00 0.00 H new ATOM 0 HB THR A 122 -9.823 -16.554 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.957 -16.991 -1.681 1.00 1.26 H new ATOM 0 HG21 THR A 122 -10.679 -18.865 -2.435 1.00 1.33 H new ATOM 0 HG22 THR A 122 -8.920 -18.801 -2.175 1.00 1.33 H new ATOM 0 HG23 THR A 122 -10.016 -19.021 -0.791 1.00 1.33 H new ATOM 999 N ALA A 123 -7.822 -15.325 -2.458 1.00 0.00 N ATOM 1000 CA ALA A 123 -7.215 -14.178 -3.123 1.00 0.00 C ATOM 1001 C ALA A 123 -8.062 -12.925 -2.941 1.00 0.00 C ATOM 1002 O ALA A 123 -7.556 -11.872 -2.553 1.00 0.00 O ATOM 1003 CB ALA A 123 -7.014 -14.470 -4.603 1.00 0.00 C ATOM 0 H ALA A 123 -7.878 -16.165 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.243 -13.998 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -6.560 -13.605 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -6.360 -15.334 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -7.978 -14.680 -5.067 1.00 0.00 H new ATOM 1009 N ARG A 124 -9.356 -13.045 -3.221 1.00 0.00 N ATOM 1010 CA ARG A 124 -10.272 -11.918 -3.086 1.00 0.00 C ATOM 1011 C ARG A 124 -10.406 -11.499 -1.627 1.00 0.00 C ATOM 1012 O ARG A 124 -10.326 -10.314 -1.302 1.00 0.00 O ATOM 1013 CB ARG A 124 -11.646 -12.280 -3.654 1.00 0.02 C ATOM 1014 CG ARG A 124 -12.624 -11.116 -3.662 1.00 1.16 C ATOM 1015 CD ARG A 124 -14.059 -11.593 -3.513 1.00 1.22 C ATOM 1016 NE ARG A 124 -14.428 -12.555 -4.549 1.00 1.83 N ATOM 1017 CZ ARG A 124 -15.685 -12.847 -4.879 1.00 2.11 C ATOM 1018 NH1 ARG A 124 -16.701 -12.252 -4.265 1.00 2.01 N ATOM 1019 NH2 ARG A 124 -15.927 -13.738 -5.831 1.00 3.03 N ATOM 0 H ARG A 124 -9.793 -13.909 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 124 -9.863 -11.079 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -11.524 -12.649 -4.672 1.00 0.02 H new ATOM 0 HB3 ARG A 124 -12.069 -13.096 -3.068 1.00 0.02 H new ATOM 0 HG2 ARG A 124 -12.381 -10.430 -2.850 1.00 1.16 H new ATOM 0 HG3 ARG A 124 -12.520 -10.558 -4.593 1.00 1.16 H new ATOM 0 HD2 ARG A 124 -14.189 -12.050 -2.532 1.00 1.22 H new ATOM 0 HD3 ARG A 124 -14.732 -10.737 -3.558 1.00 1.22 H new ATOM 0 HE ARG A 124 -13.678 -13.032 -5.050 1.00 1.83 H new ATOM 0 HH11 ARG A 124 -16.523 -11.564 -3.533 1.00 2.01 H new ATOM 0 HH12 ARG A 124 -17.660 -12.483 -4.525 1.00 2.01 H new ATOM 0 HH21 ARG A 124 -15.152 -14.198 -6.308 1.00 3.03 H new ATOM 0 HH22 ARG A 124 -16.889 -13.964 -6.086 1.00 3.03 H new ATOM 1033 N GLY A 125 -10.609 -12.476 -0.750 1.00 0.00 N ATOM 1034 CA GLY A 125 -10.750 -12.186 0.665 1.00 0.00 C ATOM 1035 C GLY A 125 -9.619 -11.330 1.199 1.00 0.00 C ATOM 1036 O GLY A 125 -9.856 -10.280 1.796 1.00 0.00 O ATOM 0 H GLY A 125 -10.678 -13.464 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -11.698 -11.676 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -10.787 -13.122 1.222 1.00 0.00 H new ATOM 1040 N ARG A 126 -8.386 -11.780 0.988 1.00 0.00 N ATOM 1041 CA ARG A 126 -7.215 -11.047 1.455 1.00 0.00 C ATOM 1042 C ARG A 126 -7.301 -9.576 1.065 1.00 0.00 C ATOM 1043 O ARG A 126 -7.187 -8.690 1.914 1.00 0.00 O ATOM 1044 CB ARG A 126 -5.938 -11.665 0.881 1.00 0.00 C ATOM 1045 CG ARG A 126 -5.730 -13.115 1.284 1.00 0.14 C ATOM 1046 CD ARG A 126 -4.565 -13.740 0.534 1.00 0.53 C ATOM 1047 NE ARG A 126 -4.498 -15.185 0.740 1.00 0.97 N ATOM 1048 CZ ARG A 126 -3.643 -15.988 0.109 1.00 1.08 C ATOM 1049 NH1 ARG A 126 -2.778 -15.495 -0.770 1.00 0.96 N ATOM 1050 NH2 ARG A 126 -3.654 -17.290 0.356 1.00 2.09 N ATOM 0 H ARG A 126 -8.172 -12.648 0.497 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.186 -11.114 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.970 -11.600 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.080 -11.078 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.546 -13.173 2.357 1.00 0.14 H new ATOM 0 HG3 ARG A 126 -6.639 -13.683 1.085 1.00 0.14 H new ATOM 0 HD2 ARG A 126 -4.663 -13.529 -0.531 1.00 0.53 H new ATOM 0 HD3 ARG A 126 -3.633 -13.282 0.865 1.00 0.53 H new ATOM 0 HE ARG A 126 -5.145 -15.604 1.408 1.00 0.97 H new ATOM 0 HH11 ARG A 126 -2.765 -14.494 -0.966 1.00 0.96 H new ATOM 0 HH12 ARG A 126 -2.127 -16.117 -1.249 1.00 0.96 H new ATOM 0 HH21 ARG A 126 -4.317 -17.676 1.029 1.00 2.09 H new ATOM 0 HH22 ARG A 126 -3.000 -17.906 -0.126 1.00 2.09 H new ATOM 1064 N PHE A 127 -7.501 -9.320 -0.222 1.00 0.00 N ATOM 1065 CA PHE A 127 -7.600 -7.956 -0.726 1.00 0.00 C ATOM 1066 C PHE A 127 -8.677 -7.175 0.021 1.00 0.00 C ATOM 1067 O PHE A 127 -8.514 -5.990 0.308 1.00 0.00 O ATOM 1068 CB PHE A 127 -7.906 -7.962 -2.224 1.00 0.01 C ATOM 1069 CG PHE A 127 -7.815 -6.605 -2.860 1.00 0.29 C ATOM 1070 CD1 PHE A 127 -6.616 -5.912 -2.877 1.00 0.56 C ATOM 1071 CD2 PHE A 127 -8.931 -6.022 -3.438 1.00 1.14 C ATOM 1072 CE1 PHE A 127 -6.530 -4.662 -3.459 1.00 0.55 C ATOM 1073 CE2 PHE A 127 -8.852 -4.772 -4.022 1.00 1.37 C ATOM 1074 CZ PHE A 127 -7.650 -4.091 -4.032 1.00 0.80 C ATOM 0 H PHE A 127 -7.598 -10.041 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.640 -7.466 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -7.212 -8.637 -2.726 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -8.908 -8.361 -2.380 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -5.738 -6.354 -2.430 1.00 0.56 H new ATOM 0 HD2 PHE A 127 -9.873 -6.550 -3.432 1.00 1.14 H new ATOM 0 HE1 PHE A 127 -5.589 -4.132 -3.466 1.00 0.55 H new ATOM 0 HE2 PHE A 127 -9.729 -4.328 -4.470 1.00 1.37 H new ATOM 0 HZ PHE A 127 -7.586 -3.114 -4.487 1.00 0.80 H new ATOM 1084 N ALA A 128 -9.778 -7.850 0.336 1.00 0.00 N ATOM 1085 CA ALA A 128 -10.881 -7.220 1.052 1.00 0.00 C ATOM 1086 C ALA A 128 -10.505 -6.931 2.501 1.00 0.00 C ATOM 1087 O ALA A 128 -11.026 -5.997 3.112 1.00 0.00 O ATOM 1088 CB ALA A 128 -12.118 -8.103 0.992 1.00 0.00 C ATOM 0 H ALA A 128 -9.930 -8.832 0.107 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.100 -6.269 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -12.935 -7.622 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -12.408 -8.253 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.899 -9.067 1.451 1.00 0.00 H new ATOM 1094 N THR A 129 -9.597 -7.735 3.048 1.00 0.00 N ATOM 1095 CA THR A 129 -9.154 -7.562 4.425 1.00 0.00 C ATOM 1096 C THR A 129 -8.061 -6.504 4.522 1.00 0.00 C ATOM 1097 O THR A 129 -7.986 -5.762 5.502 1.00 0.00 O ATOM 1098 CB THR A 129 -8.625 -8.882 5.015 1.00 0.00 C ATOM 1099 OG1 THR A 129 -8.948 -9.973 4.144 1.00 0.97 O ATOM 1100 CG2 THR A 129 -9.217 -9.134 6.393 1.00 1.02 C ATOM 0 H THR A 129 -9.155 -8.512 2.557 1.00 0.00 H new ATOM 0 HA THR A 129 -10.023 -7.238 4.997 1.00 0.00 H new ATOM 0 HB THR A 129 -7.542 -8.803 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 129 -8.607 -10.809 4.526 1.00 0.97 H new ATOM 0 HG21 THR A 129 -8.829 -10.072 6.790 1.00 1.02 H new ATOM 0 HG22 THR A 129 -8.944 -8.317 7.061 1.00 1.02 H new ATOM 0 HG23 THR A 129 -10.303 -9.194 6.317 1.00 1.02 H new ATOM 1108 N VAL A 130 -7.212 -6.442 3.502 1.00 0.00 N ATOM 1109 CA VAL A 130 -6.120 -5.476 3.475 1.00 0.00 C ATOM 1110 C VAL A 130 -6.635 -4.066 3.205 1.00 0.00 C ATOM 1111 O VAL A 130 -6.078 -3.087 3.701 1.00 0.00 O ATOM 1112 CB VAL A 130 -5.074 -5.841 2.407 1.00 0.01 C ATOM 1113 CG1 VAL A 130 -5.322 -5.062 1.124 1.00 0.18 C ATOM 1114 CG2 VAL A 130 -3.668 -5.589 2.928 1.00 0.18 C ATOM 0 H VAL A 130 -7.259 -7.049 2.684 1.00 0.00 H new ATOM 0 HA VAL A 130 -5.651 -5.505 4.458 1.00 0.00 H new ATOM 0 HB VAL A 130 -5.169 -6.903 2.182 1.00 0.01 H new ATOM 0 HG11 VAL A 130 -4.572 -5.335 0.382 1.00 0.18 H new ATOM 0 HG12 VAL A 130 -6.314 -5.299 0.741 1.00 0.18 H new ATOM 0 HG13 VAL A 130 -5.258 -3.993 1.329 1.00 0.18 H new ATOM 0 HG21 VAL A 130 -2.942 -5.853 2.159 1.00 0.18 H new ATOM 0 HG22 VAL A 130 -3.558 -4.535 3.184 1.00 0.18 H new ATOM 0 HG23 VAL A 130 -3.494 -6.198 3.815 1.00 0.18 H new ATOM 1124 N VAL A 131 -7.699 -3.968 2.414 1.00 0.00 N ATOM 1125 CA VAL A 131 -8.283 -2.673 2.080 1.00 0.00 C ATOM 1126 C VAL A 131 -9.124 -2.133 3.231 1.00 0.00 C ATOM 1127 O VAL A 131 -9.229 -0.921 3.420 1.00 0.00 O ATOM 1128 CB VAL A 131 -9.160 -2.761 0.816 1.00 0.00 C ATOM 1129 CG1 VAL A 131 -10.267 -3.786 1.005 1.00 1.40 C ATOM 1130 CG2 VAL A 131 -9.737 -1.397 0.472 1.00 1.41 C ATOM 0 H VAL A 131 -8.173 -4.767 1.993 1.00 0.00 H new ATOM 0 HA VAL A 131 -7.452 -1.993 1.891 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.536 -3.086 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -10.876 -3.834 0.102 1.00 1.40 H new ATOM 0 HG12 VAL A 131 -9.828 -4.764 1.199 1.00 1.40 H new ATOM 0 HG13 VAL A 131 -10.892 -3.495 1.849 1.00 1.40 H new ATOM 0 HG21 VAL A 131 -10.354 -1.478 -0.423 1.00 1.41 H new ATOM 0 HG22 VAL A 131 -10.347 -1.040 1.302 1.00 1.41 H new ATOM 0 HG23 VAL A 131 -8.924 -0.693 0.290 1.00 1.41 H new ATOM 1140 N GLU A 132 -9.720 -3.039 4.000 1.00 0.00 N ATOM 1141 CA GLU A 132 -10.552 -2.652 5.133 1.00 0.00 C ATOM 1142 C GLU A 132 -9.702 -2.078 6.262 1.00 0.00 C ATOM 1143 O GLU A 132 -10.044 -1.055 6.853 1.00 0.00 O ATOM 1144 CB GLU A 132 -11.350 -3.855 5.639 1.00 0.00 C ATOM 1145 CG GLU A 132 -12.573 -3.474 6.457 1.00 0.92 C ATOM 1146 CD GLU A 132 -13.619 -4.572 6.478 1.00 1.34 C ATOM 1147 OE1 GLU A 132 -14.000 -5.048 5.388 1.00 2.22 O ATOM 1148 OE2 GLU A 132 -14.054 -4.956 7.584 1.00 1.78 O ATOM 0 H GLU A 132 -9.642 -4.046 3.859 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.245 -1.880 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.667 -4.455 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.698 -4.483 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -12.267 -3.247 7.478 1.00 0.92 H new ATOM 0 HG3 GLU A 132 -13.013 -2.565 6.047 1.00 0.92 H new ATOM 1155 N GLU A 133 -8.591 -2.747 6.557 1.00 0.00 N ATOM 1156 CA GLU A 133 -7.690 -2.305 7.616 1.00 0.00 C ATOM 1157 C GLU A 133 -6.994 -1.003 7.232 1.00 0.00 C ATOM 1158 O GLU A 133 -6.863 -0.094 8.052 1.00 0.00 O ATOM 1159 CB GLU A 133 -6.650 -3.387 7.911 1.00 0.00 C ATOM 1160 CG GLU A 133 -6.121 -3.351 9.335 1.00 1.13 C ATOM 1161 CD GLU A 133 -6.679 -4.471 10.191 1.00 0.94 C ATOM 1162 OE1 GLU A 133 -6.864 -5.588 9.662 1.00 1.63 O ATOM 1163 OE2 GLU A 133 -6.931 -4.233 11.391 1.00 1.26 O ATOM 0 H GLU A 133 -8.293 -3.597 6.078 1.00 0.00 H new ATOM 0 HA GLU A 133 -8.283 -2.126 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.092 -4.365 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -5.815 -3.275 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.033 -3.420 9.317 1.00 1.13 H new ATOM 0 HG3 GLU A 133 -6.372 -2.392 9.788 1.00 1.13 H new ATOM 1170 N LEU A 134 -6.548 -0.921 5.984 1.00 0.00 N ATOM 1171 CA LEU A 134 -5.865 0.271 5.494 1.00 0.00 C ATOM 1172 C LEU A 134 -6.732 1.511 5.684 1.00 0.00 C ATOM 1173 O LEU A 134 -6.352 2.444 6.390 1.00 0.00 O ATOM 1174 CB LEU A 134 -5.504 0.109 4.015 1.00 0.00 C ATOM 1175 CG LEU A 134 -4.474 1.110 3.487 1.00 0.10 C ATOM 1176 CD1 LEU A 134 -3.151 0.950 4.220 1.00 0.25 C ATOM 1177 CD2 LEU A 134 -4.279 0.933 1.989 1.00 0.05 C ATOM 0 H LEU A 134 -6.647 -1.665 5.293 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.949 0.397 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.122 -0.900 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -6.414 0.200 3.422 1.00 0.00 H new ATOM 0 HG LEU A 134 -4.848 2.118 3.669 1.00 0.10 H new ATOM 0 HD11 LEU A 134 -2.430 1.670 3.832 1.00 0.25 H new ATOM 0 HD12 LEU A 134 -3.302 1.126 5.285 1.00 0.25 H new ATOM 0 HD13 LEU A 134 -2.771 -0.061 4.069 1.00 0.25 H new ATOM 0 HD21 LEU A 134 -3.543 1.653 1.630 1.00 0.05 H new ATOM 0 HD22 LEU A 134 -3.927 -0.078 1.785 1.00 0.05 H new ATOM 0 HD23 LEU A 134 -5.227 1.097 1.477 1.00 0.05 H new ATOM 1189 N PHE A 135 -7.899 1.511 5.050 1.00 0.00 N ATOM 1190 CA PHE A 135 -8.822 2.635 5.147 1.00 0.00 C ATOM 1191 C PHE A 135 -9.840 2.408 6.260 1.00 0.00 C ATOM 1192 O PHE A 135 -11.048 2.407 6.018 1.00 0.00 O ATOM 1193 CB PHE A 135 -9.542 2.846 3.814 1.00 0.01 C ATOM 1194 CG PHE A 135 -8.618 2.852 2.629 1.00 0.16 C ATOM 1195 CD1 PHE A 135 -7.567 3.752 2.558 1.00 0.94 C ATOM 1196 CD2 PHE A 135 -8.802 1.959 1.585 1.00 1.18 C ATOM 1197 CE1 PHE A 135 -6.715 3.760 1.469 1.00 0.91 C ATOM 1198 CE2 PHE A 135 -7.954 1.964 0.494 1.00 1.28 C ATOM 1199 CZ PHE A 135 -6.910 2.865 0.436 1.00 0.46 C ATOM 0 H PHE A 135 -8.228 0.745 4.463 1.00 0.00 H new ATOM 0 HA PHE A 135 -8.245 3.529 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -10.284 2.059 3.682 1.00 0.01 H new ATOM 0 HB3 PHE A 135 -10.083 3.792 3.848 1.00 0.01 H new ATOM 0 HD1 PHE A 135 -7.411 4.455 3.363 1.00 0.94 H new ATOM 0 HD2 PHE A 135 -9.617 1.252 1.625 1.00 1.18 H new ATOM 0 HE1 PHE A 135 -5.898 4.465 1.427 1.00 0.91 H new ATOM 0 HE2 PHE A 135 -8.108 1.263 -0.313 1.00 1.28 H new ATOM 0 HZ PHE A 135 -6.247 2.870 -0.416 1.00 0.46 H new ATOM 1209 N ARG A 136 -9.345 2.213 7.478 1.00 0.00 N ATOM 1210 CA ARG A 136 -10.211 1.983 8.628 1.00 0.00 C ATOM 1211 C ARG A 136 -10.368 3.254 9.457 1.00 0.00 C ATOM 1212 O ARG A 136 -11.461 3.568 9.928 1.00 0.00 O ATOM 1213 CB ARG A 136 -9.647 0.858 9.500 1.00 0.00 C ATOM 1214 CG ARG A 136 -10.708 -0.092 10.030 1.00 0.55 C ATOM 1215 CD ARG A 136 -10.516 -0.371 11.512 1.00 0.82 C ATOM 1216 NE ARG A 136 -11.788 -0.585 12.198 1.00 1.20 N ATOM 1217 CZ ARG A 136 -11.945 -0.503 13.518 1.00 1.79 C ATOM 1218 NH1 ARG A 136 -10.914 -0.213 14.304 1.00 2.43 N ATOM 1219 NH2 ARG A 136 -13.138 -0.714 14.055 1.00 2.37 N ATOM 0 H ARG A 136 -8.348 2.210 7.694 1.00 0.00 H new ATOM 0 HA ARG A 136 -11.193 1.690 8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -8.920 0.290 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -9.111 1.296 10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -11.697 0.336 9.864 1.00 0.55 H new ATOM 0 HG3 ARG A 136 -10.669 -1.029 9.474 1.00 0.55 H new ATOM 0 HD2 ARG A 136 -9.885 -1.251 11.636 1.00 0.82 H new ATOM 0 HD3 ARG A 136 -9.992 0.466 11.973 1.00 0.82 H new ATOM 0 HE ARG A 136 -12.606 -0.811 11.632 1.00 1.20 H new ATOM 0 HH11 ARG A 136 -9.993 -0.051 13.898 1.00 2.43 H new ATOM 0 HH12 ARG A 136 -11.044 -0.152 15.314 1.00 2.43 H new ATOM 0 HH21 ARG A 136 -13.934 -0.939 13.458 1.00 2.37 H new ATOM 0 HH22 ARG A 136 -13.261 -0.652 15.066 1.00 2.37 H new ATOM 1233 N ASP A 137 -9.270 3.982 9.631 1.00 0.00 N ATOM 1234 CA ASP A 137 -9.289 5.220 10.402 1.00 0.00 C ATOM 1235 C ASP A 137 -9.296 6.436 9.480 1.00 0.00 C ATOM 1236 O ASP A 137 -8.766 7.493 9.825 1.00 0.00 O ATOM 1237 CB ASP A 137 -8.080 5.282 11.338 1.00 0.00 C ATOM 1238 CG ASP A 137 -8.386 4.725 12.714 1.00 1.13 C ATOM 1239 OD1 ASP A 137 -8.269 3.496 12.897 1.00 1.99 O ATOM 1240 OD2 ASP A 137 -8.742 5.520 13.610 1.00 1.71 O ATOM 0 H ASP A 137 -8.357 3.737 9.249 1.00 0.00 H new ATOM 0 HA ASP A 137 -10.202 5.233 10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -7.254 4.723 10.898 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -7.750 6.316 11.433 1.00 0.00 H new ATOM 1245 N GLY A 138 -9.899 6.279 8.307 1.00 0.00 N ATOM 1246 CA GLY A 138 -9.962 7.372 7.355 1.00 0.00 C ATOM 1247 C GLY A 138 -9.148 7.099 6.107 1.00 0.00 C ATOM 1248 O GLY A 138 -8.763 5.958 5.845 1.00 0.00 O ATOM 0 H GLY A 138 -10.345 5.415 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.001 7.548 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.600 8.284 7.829 1.00 0.00 H new ATOM 1252 N VAL A 139 -8.886 8.146 5.332 1.00 0.00 N ATOM 1253 CA VAL A 139 -8.113 8.013 4.105 1.00 0.00 C ATOM 1254 C VAL A 139 -7.168 9.197 3.918 1.00 0.00 C ATOM 1255 O VAL A 139 -7.392 10.275 4.468 1.00 0.00 O ATOM 1256 CB VAL A 139 -9.030 7.901 2.872 1.00 0.00 C ATOM 1257 CG1 VAL A 139 -9.045 6.475 2.347 1.00 1.38 C ATOM 1258 CG2 VAL A 139 -10.437 8.369 3.210 1.00 1.38 C ATOM 0 H VAL A 139 -9.198 9.096 5.533 1.00 0.00 H new ATOM 0 HA VAL A 139 -7.529 7.097 4.197 1.00 0.00 H new ATOM 0 HB VAL A 139 -8.636 8.547 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -9.698 6.415 1.476 1.00 1.38 H new ATOM 0 HG12 VAL A 139 -8.034 6.181 2.064 1.00 1.38 H new ATOM 0 HG13 VAL A 139 -9.414 5.805 3.124 1.00 1.38 H new ATOM 0 HG21 VAL A 139 -11.071 8.283 2.327 1.00 1.38 H new ATOM 0 HG22 VAL A 139 -10.844 7.751 4.010 1.00 1.38 H new ATOM 0 HG23 VAL A 139 -10.406 9.409 3.535 1.00 1.38 H new ATOM 1268 N ASN A 140 -6.114 8.986 3.139 1.00 0.00 N ATOM 1269 CA ASN A 140 -5.132 10.033 2.877 1.00 0.00 C ATOM 1270 C ASN A 140 -4.146 9.588 1.803 1.00 0.00 C ATOM 1271 O ASN A 140 -3.935 8.392 1.605 1.00 0.00 O ATOM 1272 CB ASN A 140 -4.380 10.387 4.162 1.00 0.00 C ATOM 1273 CG ASN A 140 -4.099 11.872 4.278 1.00 1.26 C ATOM 1274 OD1 ASN A 140 -3.327 12.433 3.500 1.00 2.17 O ATOM 1275 ND2 ASN A 140 -4.726 12.518 5.255 1.00 1.98 N ATOM 0 H ASN A 140 -5.917 8.098 2.677 1.00 0.00 H new ATOM 0 HA ASN A 140 -5.660 10.917 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -4.965 10.063 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -3.438 9.839 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -4.576 13.519 5.383 1.00 1.98 H new ATOM 0 HD22 ASN A 140 -5.357 12.013 5.877 1.00 1.98 H new ATOM 1282 N TRP A 141 -3.548 10.557 1.111 1.00 0.00 N ATOM 1283 CA TRP A 141 -2.584 10.257 0.054 1.00 0.00 C ATOM 1284 C TRP A 141 -1.578 9.208 0.518 1.00 0.00 C ATOM 1285 O TRP A 141 -1.073 8.422 -0.284 1.00 0.00 O ATOM 1286 CB TRP A 141 -1.850 11.526 -0.394 1.00 0.02 C ATOM 1287 CG TRP A 141 -1.588 12.498 0.716 1.00 0.89 C ATOM 1288 CD1 TRP A 141 -0.705 12.351 1.746 1.00 2.20 C ATOM 1289 CD2 TRP A 141 -2.217 13.770 0.905 1.00 0.61 C ATOM 1290 NE1 TRP A 141 -0.746 13.453 2.564 1.00 2.69 N ATOM 1291 CE2 TRP A 141 -1.667 14.339 2.069 1.00 1.71 C ATOM 1292 CE3 TRP A 141 -3.192 14.484 0.201 1.00 0.79 C ATOM 1293 CZ2 TRP A 141 -2.061 15.588 2.544 1.00 1.75 C ATOM 1294 CZ3 TRP A 141 -3.581 15.723 0.675 1.00 0.90 C ATOM 1295 CH2 TRP A 141 -3.016 16.265 1.836 1.00 0.83 C ATOM 0 H TRP A 141 -3.713 11.552 1.262 1.00 0.00 H new ATOM 0 HA TRP A 141 -3.137 9.858 -0.796 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -0.900 11.244 -0.849 1.00 0.02 H new ATOM 0 HB3 TRP A 141 -2.438 12.021 -1.166 1.00 0.02 H new ATOM 0 HD1 TRP A 141 -0.067 11.493 1.896 1.00 2.20 H new ATOM 0 HE1 TRP A 141 -0.183 13.590 3.403 1.00 2.69 H new ATOM 0 HE3 TRP A 141 -3.633 14.075 -0.696 1.00 0.79 H new ATOM 0 HZ2 TRP A 141 -1.628 16.007 3.440 1.00 1.75 H new ATOM 0 HZ3 TRP A 141 -4.334 16.283 0.140 1.00 0.90 H new ATOM 0 HH2 TRP A 141 -3.340 17.236 2.179 1.00 0.83 H new ATOM 1306 N GLY A 142 -1.298 9.195 1.817 1.00 0.00 N ATOM 1307 CA GLY A 142 -0.363 8.229 2.361 1.00 0.00 C ATOM 1308 C GLY A 142 -0.892 6.813 2.268 1.00 0.00 C ATOM 1309 O GLY A 142 -0.258 5.943 1.671 1.00 0.00 O ATOM 0 H GLY A 142 -1.701 9.835 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.583 8.298 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.157 8.471 3.404 1.00 0.00 H new ATOM 1313 N ARG A 143 -2.062 6.583 2.855 1.00 0.00 N ATOM 1314 CA ARG A 143 -2.680 5.264 2.828 1.00 0.00 C ATOM 1315 C ARG A 143 -2.861 4.792 1.391 1.00 0.00 C ATOM 1316 O ARG A 143 -2.678 3.613 1.086 1.00 0.00 O ATOM 1317 CB ARG A 143 -4.033 5.294 3.544 1.00 0.00 C ATOM 1318 CG ARG A 143 -3.945 4.963 5.024 1.00 0.55 C ATOM 1319 CD ARG A 143 -3.168 6.022 5.788 1.00 0.64 C ATOM 1320 NE ARG A 143 -3.756 6.297 7.096 1.00 1.15 N ATOM 1321 CZ ARG A 143 -3.590 5.517 8.165 1.00 1.59 C ATOM 1322 NH1 ARG A 143 -2.855 4.414 8.086 1.00 2.03 N ATOM 1323 NH2 ARG A 143 -4.162 5.843 9.316 1.00 2.26 N ATOM 0 H ARG A 143 -2.600 7.292 3.354 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.023 4.566 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -4.475 6.284 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.706 4.586 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.949 4.878 5.439 1.00 0.55 H new ATOM 0 HG3 ARG A 143 -3.463 3.994 5.153 1.00 0.55 H new ATOM 0 HD2 ARG A 143 -2.137 5.693 5.916 1.00 0.64 H new ATOM 0 HD3 ARG A 143 -3.138 6.942 5.204 1.00 0.64 H new ATOM 0 HE ARG A 143 -4.328 7.136 7.198 1.00 1.15 H new ATOM 0 HH11 ARG A 143 -2.413 4.158 7.203 1.00 2.03 H new ATOM 0 HH12 ARG A 143 -2.733 3.823 8.908 1.00 2.03 H new ATOM 0 HH21 ARG A 143 -4.728 6.689 9.383 1.00 2.26 H new ATOM 0 HH22 ARG A 143 -4.036 5.248 10.135 1.00 2.26 H new ATOM 1337 N ILE A 144 -3.217 5.722 0.509 1.00 0.00 N ATOM 1338 CA ILE A 144 -3.416 5.402 -0.897 1.00 0.00 C ATOM 1339 C ILE A 144 -2.133 4.859 -1.512 1.00 0.00 C ATOM 1340 O ILE A 144 -2.156 3.882 -2.261 1.00 0.00 O ATOM 1341 CB ILE A 144 -3.878 6.634 -1.700 1.00 0.00 C ATOM 1342 CG1 ILE A 144 -5.369 6.891 -1.470 1.00 0.28 C ATOM 1343 CG2 ILE A 144 -3.591 6.436 -3.181 1.00 0.27 C ATOM 1344 CD1 ILE A 144 -5.709 8.353 -1.279 1.00 0.98 C ATOM 0 H ILE A 144 -3.373 6.702 0.745 1.00 0.00 H new ATOM 0 HA ILE A 144 -4.196 4.642 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 144 -3.322 7.505 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -5.931 6.504 -2.320 1.00 0.28 H new ATOM 0 HG13 ILE A 144 -5.694 6.333 -0.592 1.00 0.28 H new ATOM 0 HG21 ILE A 144 -3.922 7.313 -3.736 1.00 0.27 H new ATOM 0 HG22 ILE A 144 -2.520 6.296 -3.329 1.00 0.27 H new ATOM 0 HG23 ILE A 144 -4.125 5.556 -3.541 1.00 0.27 H new ATOM 0 HD11 ILE A 144 -6.782 8.459 -1.121 1.00 0.98 H new ATOM 0 HD12 ILE A 144 -5.175 8.741 -0.412 1.00 0.98 H new ATOM 0 HD13 ILE A 144 -5.415 8.914 -2.166 1.00 0.98 H new ATOM 1356 N VAL A 145 -1.010 5.490 -1.184 1.00 0.00 N ATOM 1357 CA VAL A 145 0.282 5.058 -1.698 1.00 0.00 C ATOM 1358 C VAL A 145 0.583 3.625 -1.268 1.00 0.00 C ATOM 1359 O VAL A 145 1.292 2.895 -1.961 1.00 0.00 O ATOM 1360 CB VAL A 145 1.422 5.985 -1.224 1.00 0.00 C ATOM 1361 CG1 VAL A 145 2.607 5.178 -0.723 1.00 0.04 C ATOM 1362 CG2 VAL A 145 1.848 6.918 -2.345 1.00 0.03 C ATOM 0 H VAL A 145 -0.970 6.300 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 145 0.226 5.106 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 145 1.048 6.586 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.396 5.855 -0.395 1.00 0.04 H new ATOM 0 HG12 VAL A 145 2.294 4.553 0.114 1.00 0.04 H new ATOM 0 HG13 VAL A 145 2.983 4.546 -1.527 1.00 0.04 H new ATOM 0 HG21 VAL A 145 2.652 7.565 -1.994 1.00 0.03 H new ATOM 0 HG22 VAL A 145 2.199 6.331 -3.194 1.00 0.03 H new ATOM 0 HG23 VAL A 145 0.999 7.529 -2.652 1.00 0.03 H new ATOM 1372 N ALA A 146 0.037 3.226 -0.121 1.00 0.00 N ATOM 1373 CA ALA A 146 0.243 1.878 0.395 1.00 0.00 C ATOM 1374 C ALA A 146 -0.722 0.892 -0.253 1.00 0.00 C ATOM 1375 O ALA A 146 -0.368 -0.259 -0.510 1.00 0.00 O ATOM 1376 CB ALA A 146 0.082 1.861 1.908 1.00 0.00 C ATOM 0 H ALA A 146 -0.550 3.818 0.467 1.00 0.00 H new ATOM 0 HA ALA A 146 1.259 1.570 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 146 0.239 0.848 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.814 2.530 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.923 2.192 2.171 1.00 0.00 H new ATOM 1382 N PHE A 147 -1.942 1.349 -0.516 1.00 0.00 N ATOM 1383 CA PHE A 147 -2.957 0.507 -1.139 1.00 0.00 C ATOM 1384 C PHE A 147 -2.455 -0.051 -2.464 1.00 0.00 C ATOM 1385 O PHE A 147 -2.565 -1.248 -2.730 1.00 0.00 O ATOM 1386 CB PHE A 147 -4.244 1.300 -1.365 1.00 0.00 C ATOM 1387 CG PHE A 147 -5.206 0.629 -2.305 1.00 0.38 C ATOM 1388 CD1 PHE A 147 -5.140 0.864 -3.669 1.00 1.07 C ATOM 1389 CD2 PHE A 147 -6.173 -0.237 -1.824 1.00 1.26 C ATOM 1390 CE1 PHE A 147 -6.022 0.248 -4.536 1.00 1.23 C ATOM 1391 CE2 PHE A 147 -7.058 -0.857 -2.687 1.00 1.50 C ATOM 1392 CZ PHE A 147 -6.982 -0.615 -4.044 1.00 1.08 C ATOM 0 H PHE A 147 -2.252 2.298 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 147 -3.166 -0.324 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -4.737 1.458 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -3.990 2.284 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -4.390 1.537 -4.059 1.00 1.07 H new ATOM 0 HD2 PHE A 147 -6.237 -0.430 -0.763 1.00 1.26 H new ATOM 0 HE1 PHE A 147 -5.961 0.441 -5.597 1.00 1.23 H new ATOM 0 HE2 PHE A 147 -7.808 -1.530 -2.300 1.00 1.50 H new ATOM 0 HZ PHE A 147 -7.672 -1.099 -4.720 1.00 1.08 H new ATOM 1402 N PHE A 148 -1.901 0.827 -3.292 1.00 0.00 N ATOM 1403 CA PHE A 148 -1.377 0.428 -4.591 1.00 0.00 C ATOM 1404 C PHE A 148 -0.191 -0.516 -4.428 1.00 0.00 C ATOM 1405 O PHE A 148 0.022 -1.409 -5.246 1.00 0.00 O ATOM 1406 CB PHE A 148 -0.963 1.663 -5.393 1.00 0.00 C ATOM 1407 CG PHE A 148 -2.107 2.327 -6.108 1.00 0.25 C ATOM 1408 CD1 PHE A 148 -2.969 3.172 -5.427 1.00 0.94 C ATOM 1409 CD2 PHE A 148 -2.320 2.105 -7.458 1.00 1.39 C ATOM 1410 CE1 PHE A 148 -4.022 3.784 -6.081 1.00 0.89 C ATOM 1411 CE2 PHE A 148 -3.371 2.714 -8.117 1.00 1.58 C ATOM 1412 CZ PHE A 148 -4.223 3.554 -7.428 1.00 0.72 C ATOM 0 H PHE A 148 -1.803 1.821 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 148 -2.163 -0.099 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.498 2.384 -4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.207 1.375 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -2.816 3.354 -4.374 1.00 0.94 H new ATOM 0 HD2 PHE A 148 -1.657 1.448 -8.002 1.00 1.39 H new ATOM 0 HE1 PHE A 148 -4.686 4.441 -5.539 1.00 0.89 H new ATOM 0 HE2 PHE A 148 -3.526 2.533 -9.170 1.00 1.58 H new ATOM 0 HZ PHE A 148 -5.045 4.030 -7.941 1.00 0.72 H new ATOM 1422 N GLU A 149 0.574 -0.315 -3.358 1.00 0.00 N ATOM 1423 CA GLU A 149 1.735 -1.153 -3.082 1.00 0.00 C ATOM 1424 C GLU A 149 1.312 -2.601 -2.860 1.00 0.00 C ATOM 1425 O GLU A 149 1.863 -3.519 -3.467 1.00 0.00 O ATOM 1426 CB GLU A 149 2.484 -0.635 -1.853 1.00 0.00 C ATOM 1427 CG GLU A 149 3.979 -0.907 -1.890 1.00 0.40 C ATOM 1428 CD GLU A 149 4.329 -2.133 -2.710 1.00 1.20 C ATOM 1429 OE1 GLU A 149 4.300 -3.249 -2.151 1.00 2.02 O ATOM 1430 OE2 GLU A 149 4.632 -1.977 -3.912 1.00 1.99 O ATOM 0 H GLU A 149 0.410 0.420 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 149 2.399 -1.112 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.321 0.439 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 149 2.062 -1.096 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 149 4.492 -0.039 -2.304 1.00 0.40 H new ATOM 0 HG3 GLU A 149 4.346 -1.039 -0.872 1.00 0.40 H new ATOM 1437 N PHE A 150 0.326 -2.797 -1.990 1.00 0.00 N ATOM 1438 CA PHE A 150 -0.176 -4.132 -1.691 1.00 0.00 C ATOM 1439 C PHE A 150 -0.709 -4.801 -2.954 1.00 0.00 C ATOM 1440 O PHE A 150 -0.402 -5.959 -3.233 1.00 0.00 O ATOM 1441 CB PHE A 150 -1.279 -4.062 -0.633 1.00 0.01 C ATOM 1442 CG PHE A 150 -1.349 -5.279 0.244 1.00 0.15 C ATOM 1443 CD1 PHE A 150 -0.613 -5.347 1.417 1.00 0.27 C ATOM 1444 CD2 PHE A 150 -2.150 -6.355 -0.103 1.00 0.29 C ATOM 1445 CE1 PHE A 150 -0.675 -6.465 2.226 1.00 0.38 C ATOM 1446 CE2 PHE A 150 -2.217 -7.476 0.703 1.00 0.41 C ATOM 1447 CZ PHE A 150 -1.479 -7.531 1.869 1.00 0.43 C ATOM 0 H PHE A 150 -0.141 -2.047 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 150 0.650 -4.727 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -1.117 -3.183 -0.009 1.00 0.01 H new ATOM 0 HB3 PHE A 150 -2.240 -3.927 -1.130 1.00 0.01 H new ATOM 0 HD1 PHE A 150 0.016 -4.516 1.701 1.00 0.27 H new ATOM 0 HD2 PHE A 150 -2.729 -6.317 -1.014 1.00 0.29 H new ATOM 0 HE1 PHE A 150 -0.096 -6.506 3.137 1.00 0.38 H new ATOM 0 HE2 PHE A 150 -2.846 -8.308 0.421 1.00 0.41 H new ATOM 0 HZ PHE A 150 -1.530 -8.405 2.501 1.00 0.43 H new ATOM 1457 N GLY A 151 -1.506 -4.059 -3.717 1.00 0.00 N ATOM 1458 CA GLY A 151 -2.066 -4.594 -4.944 1.00 0.00 C ATOM 1459 C GLY A 151 -1.010 -5.208 -5.841 1.00 0.00 C ATOM 1460 O GLY A 151 -1.170 -6.331 -6.320 1.00 0.00 O ATOM 0 H GLY A 151 -1.774 -3.097 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.815 -5.348 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -2.579 -3.798 -5.484 1.00 0.00 H new ATOM 1464 N GLY A 152 0.073 -4.471 -6.066 1.00 0.00 N ATOM 1465 CA GLY A 152 1.144 -4.970 -6.907 1.00 0.00 C ATOM 1466 C GLY A 152 1.740 -6.257 -6.375 1.00 0.00 C ATOM 1467 O GLY A 152 1.888 -7.232 -7.111 1.00 0.00 O ATOM 0 H GLY A 152 0.227 -3.539 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.764 -5.138 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 152 1.926 -4.214 -6.983 1.00 0.00 H new ATOM 1471 N VAL A 153 2.078 -6.261 -5.089 1.00 0.00 N ATOM 1472 CA VAL A 153 2.656 -7.438 -4.457 1.00 0.00 C ATOM 1473 C VAL A 153 1.740 -8.646 -4.623 1.00 0.00 C ATOM 1474 O VAL A 153 2.197 -9.745 -4.938 1.00 0.00 O ATOM 1475 CB VAL A 153 2.909 -7.203 -2.955 1.00 0.02 C ATOM 1476 CG1 VAL A 153 3.474 -8.455 -2.304 1.00 1.08 C ATOM 1477 CG2 VAL A 153 3.842 -6.019 -2.750 1.00 1.06 C ATOM 0 H VAL A 153 1.961 -5.462 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 153 3.609 -7.631 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 153 1.956 -6.973 -2.477 1.00 0.02 H new ATOM 0 HG11 VAL A 153 3.646 -8.268 -1.244 1.00 1.08 H new ATOM 0 HG12 VAL A 153 2.766 -9.276 -2.418 1.00 1.08 H new ATOM 0 HG13 VAL A 153 4.417 -8.720 -2.783 1.00 1.08 H new ATOM 0 HG21 VAL A 153 4.009 -5.868 -1.684 1.00 1.06 H new ATOM 0 HG22 VAL A 153 4.794 -6.217 -3.242 1.00 1.06 H new ATOM 0 HG23 VAL A 153 3.392 -5.123 -3.177 1.00 1.06 H new ATOM 1487 N MET A 154 0.446 -8.431 -4.414 1.00 0.00 N ATOM 1488 CA MET A 154 -0.538 -9.498 -4.545 1.00 0.00 C ATOM 1489 C MET A 154 -0.402 -10.200 -5.892 1.00 0.00 C ATOM 1490 O MET A 154 -0.556 -11.417 -5.988 1.00 0.00 O ATOM 1491 CB MET A 154 -1.953 -8.935 -4.391 1.00 0.00 C ATOM 1492 CG MET A 154 -2.886 -9.838 -3.601 1.00 0.85 C ATOM 1493 SD MET A 154 -2.462 -9.909 -1.849 1.00 1.07 S ATOM 1494 CE MET A 154 -3.107 -11.522 -1.410 1.00 1.41 C ATOM 0 H MET A 154 0.054 -7.526 -4.153 1.00 0.00 H new ATOM 0 HA MET A 154 -0.356 -10.227 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 154 -1.897 -7.965 -3.898 1.00 0.00 H new ATOM 0 HB3 MET A 154 -2.377 -8.766 -5.381 1.00 0.00 H new ATOM 0 HG2 MET A 154 -3.910 -9.480 -3.709 1.00 0.85 H new ATOM 0 HG3 MET A 154 -2.854 -10.844 -4.020 1.00 0.85 H new ATOM 0 HE1 MET A 154 -2.985 -11.683 -0.339 1.00 1.41 H new ATOM 0 HE2 MET A 154 -4.165 -11.573 -1.666 1.00 1.41 H new ATOM 0 HE3 MET A 154 -2.564 -12.292 -1.957 1.00 1.41 H new ATOM 1504 N CYS A 155 -0.111 -9.423 -6.930 1.00 0.00 N ATOM 1505 CA CYS A 155 0.048 -9.968 -8.273 1.00 0.00 C ATOM 1506 C CYS A 155 1.373 -10.713 -8.404 1.00 0.00 C ATOM 1507 O CYS A 155 1.442 -11.774 -9.023 1.00 0.00 O ATOM 1508 CB CYS A 155 -0.028 -8.850 -9.313 1.00 0.00 C ATOM 1509 SG CYS A 155 -1.395 -7.694 -9.059 1.00 0.46 S ATOM 0 H CYS A 155 0.020 -8.413 -6.867 1.00 0.00 H new ATOM 0 HA CYS A 155 -0.764 -10.673 -8.450 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.910 -8.294 -9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.123 -9.296 -10.303 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.362 -7.244 -7.840 1.00 0.46 H new ATOM 1515 N VAL A 156 2.423 -10.147 -7.818 1.00 0.00 N ATOM 1516 CA VAL A 156 3.745 -10.757 -7.867 1.00 0.00 C ATOM 1517 C VAL A 156 3.716 -12.178 -7.320 1.00 0.00 C ATOM 1518 O VAL A 156 4.390 -13.069 -7.838 1.00 0.00 O ATOM 1519 CB VAL A 156 4.774 -9.933 -7.070 1.00 0.07 C ATOM 1520 CG1 VAL A 156 6.140 -10.600 -7.113 1.00 1.18 C ATOM 1521 CG2 VAL A 156 4.849 -8.511 -7.605 1.00 1.14 C ATOM 0 H VAL A 156 2.383 -9.267 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 156 4.043 -10.781 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 156 4.450 -9.888 -6.030 1.00 0.07 H new ATOM 0 HG11 VAL A 156 6.854 -10.004 -6.545 1.00 1.18 H new ATOM 0 HG12 VAL A 156 6.072 -11.597 -6.678 1.00 1.18 H new ATOM 0 HG13 VAL A 156 6.474 -10.678 -8.147 1.00 1.18 H new ATOM 0 HG21 VAL A 156 5.581 -7.944 -7.030 1.00 1.14 H new ATOM 0 HG22 VAL A 156 5.148 -8.532 -8.653 1.00 1.14 H new ATOM 0 HG23 VAL A 156 3.872 -8.037 -7.516 1.00 1.14 H new ATOM 1531 N GLU A 157 2.927 -12.385 -6.271 1.00 0.00 N ATOM 1532 CA GLU A 157 2.805 -13.701 -5.652 1.00 0.00 C ATOM 1533 C GLU A 157 2.044 -14.657 -6.563 1.00 0.00 C ATOM 1534 O GLU A 157 2.426 -15.817 -6.721 1.00 0.00 O ATOM 1535 CB GLU A 157 2.097 -13.589 -4.301 1.00 0.00 C ATOM 1536 CG GLU A 157 2.877 -14.206 -3.152 1.00 0.88 C ATOM 1537 CD GLU A 157 1.993 -14.565 -1.974 1.00 1.45 C ATOM 1538 OE1 GLU A 157 0.884 -14.000 -1.869 1.00 2.17 O ATOM 1539 OE2 GLU A 157 2.409 -15.413 -1.156 1.00 2.05 O ATOM 0 H GLU A 157 2.362 -11.658 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 157 3.808 -14.098 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 157 1.915 -12.537 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 157 1.123 -14.074 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 157 3.388 -15.102 -3.504 1.00 0.88 H new ATOM 0 HG3 GLU A 157 3.647 -13.508 -2.824 1.00 0.88 H new ATOM 1546 N SER A 158 0.966 -14.163 -7.161 1.00 0.00 N ATOM 1547 CA SER A 158 0.150 -14.973 -8.058 1.00 0.00 C ATOM 1548 C SER A 158 0.993 -15.542 -9.195 1.00 0.00 C ATOM 1549 O SER A 158 1.152 -16.757 -9.313 1.00 0.00 O ATOM 1550 CB SER A 158 -0.999 -14.138 -8.627 1.00 0.00 C ATOM 1551 OG SER A 158 -1.460 -13.192 -7.677 1.00 1.26 O ATOM 0 H SER A 158 0.637 -13.205 -7.041 1.00 0.00 H new ATOM 0 HA SER A 158 -0.262 -15.804 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 158 -0.667 -13.622 -9.528 1.00 0.00 H new ATOM 0 HB3 SER A 158 -1.819 -14.794 -8.920 1.00 0.00 H new ATOM 0 HG SER A 158 -2.193 -12.670 -8.065 1.00 1.26 H new ATOM 1557 N VAL A 159 1.530 -14.657 -10.029 1.00 0.00 N ATOM 1558 CA VAL A 159 2.356 -15.076 -11.156 1.00 0.00 C ATOM 1559 C VAL A 159 3.483 -15.994 -10.697 1.00 0.00 C ATOM 1560 O VAL A 159 3.906 -16.887 -11.430 1.00 0.00 O ATOM 1561 CB VAL A 159 2.958 -13.864 -11.892 1.00 0.00 C ATOM 1562 CG1 VAL A 159 3.502 -12.849 -10.898 1.00 1.38 C ATOM 1563 CG2 VAL A 159 4.046 -14.312 -12.856 1.00 1.39 C ATOM 0 H VAL A 159 1.408 -13.648 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 159 1.707 -15.619 -11.842 1.00 0.00 H new ATOM 0 HB VAL A 159 2.167 -13.384 -12.469 1.00 0.00 H new ATOM 0 HG11 VAL A 159 3.923 -12.001 -11.438 1.00 1.38 H new ATOM 0 HG12 VAL A 159 2.695 -12.504 -10.252 1.00 1.38 H new ATOM 0 HG13 VAL A 159 4.279 -13.314 -10.291 1.00 1.38 H new ATOM 0 HG21 VAL A 159 4.460 -13.443 -13.367 1.00 1.39 H new ATOM 0 HG22 VAL A 159 4.837 -14.818 -12.302 1.00 1.39 H new ATOM 0 HG23 VAL A 159 3.622 -14.997 -13.590 1.00 1.39 H new ATOM 1573 N ASN A 160 3.960 -15.769 -9.478 1.00 0.00 N ATOM 1574 CA ASN A 160 5.035 -16.579 -8.917 1.00 0.00 C ATOM 1575 C ASN A 160 4.507 -17.929 -8.440 1.00 0.00 C ATOM 1576 O ASN A 160 5.224 -18.929 -8.456 1.00 0.00 O ATOM 1577 CB ASN A 160 5.705 -15.843 -7.756 1.00 0.00 C ATOM 1578 CG ASN A 160 7.038 -16.457 -7.374 1.00 0.93 C ATOM 1579 OD1 ASN A 160 7.798 -16.905 -8.233 1.00 1.77 O ATOM 1580 ND2 ASN A 160 7.329 -16.479 -6.079 1.00 1.58 N ATOM 0 H ASN A 160 3.620 -15.033 -8.860 1.00 0.00 H new ATOM 0 HA ASN A 160 5.772 -16.753 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 160 5.854 -14.798 -8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 160 5.042 -15.854 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 160 8.212 -16.878 -5.761 1.00 1.58 H new ATOM 0 HD22 ASN A 160 6.669 -16.096 -5.402 1.00 1.58 H new ATOM 1587 N ARG A 161 3.246 -17.950 -8.015 1.00 0.00 N ATOM 1588 CA ARG A 161 2.620 -19.175 -7.532 1.00 0.00 C ATOM 1589 C ARG A 161 1.779 -19.826 -8.626 1.00 0.00 C ATOM 1590 O ARG A 161 0.755 -20.450 -8.347 1.00 0.00 O ATOM 1591 CB ARG A 161 1.744 -18.875 -6.314 1.00 0.00 C ATOM 1592 CG ARG A 161 1.920 -19.868 -5.178 1.00 1.13 C ATOM 1593 CD ARG A 161 1.945 -19.167 -3.830 1.00 1.43 C ATOM 1594 NE ARG A 161 2.156 -20.105 -2.730 1.00 2.26 N ATOM 1595 CZ ARG A 161 1.210 -20.911 -2.248 1.00 2.72 C ATOM 1596 NH1 ARG A 161 -0.014 -20.898 -2.762 1.00 2.68 N ATOM 1597 NH2 ARG A 161 1.491 -21.733 -1.246 1.00 3.72 N ATOM 0 H ARG A 161 2.638 -17.131 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 161 3.410 -19.869 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 161 1.974 -17.874 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 161 0.698 -18.869 -6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.107 -20.594 -5.198 1.00 1.13 H new ATOM 0 HG3 ARG A 161 2.847 -20.424 -5.318 1.00 1.13 H new ATOM 0 HD2 ARG A 161 2.737 -18.418 -3.825 1.00 1.43 H new ATOM 0 HD3 ARG A 161 1.005 -18.637 -3.679 1.00 1.43 H new ATOM 0 HE ARG A 161 3.083 -20.146 -2.305 1.00 2.26 H new ATOM 0 HH11 ARG A 161 -0.237 -20.268 -3.532 1.00 2.68 H new ATOM 0 HH12 ARG A 161 -0.731 -21.518 -2.387 1.00 2.68 H new ATOM 0 HH21 ARG A 161 2.429 -21.747 -0.846 1.00 3.72 H new ATOM 0 HH22 ARG A 161 0.769 -22.351 -0.875 1.00 3.72 H new ATOM 1611 N GLU A 162 2.218 -19.678 -9.872 1.00 0.00 N ATOM 1612 CA GLU A 162 1.503 -20.250 -11.007 1.00 0.00 C ATOM 1613 C GLU A 162 0.028 -19.858 -10.972 1.00 0.00 C ATOM 1614 O GLU A 162 -0.858 -20.711 -11.035 1.00 0.00 O ATOM 1615 CB GLU A 162 1.651 -21.773 -11.010 1.00 0.00 C ATOM 1616 CG GLU A 162 2.786 -22.268 -11.892 1.00 0.96 C ATOM 1617 CD GLU A 162 2.972 -23.771 -11.818 1.00 1.95 C ATOM 1618 OE1 GLU A 162 2.030 -24.463 -11.378 1.00 2.61 O ATOM 1619 OE2 GLU A 162 4.057 -24.255 -12.200 1.00 2.61 O ATOM 0 H GLU A 162 3.065 -19.167 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 162 1.938 -19.853 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.818 -22.116 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.716 -22.221 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 162 2.590 -21.981 -12.925 1.00 0.96 H new ATOM 0 HG3 GLU A 162 3.712 -21.776 -11.595 1.00 0.96 H new ATOM 1626 N MET A 163 -0.227 -18.558 -10.871 1.00 0.00 N ATOM 1627 CA MET A 163 -1.591 -18.046 -10.829 1.00 0.00 C ATOM 1628 C MET A 163 -1.694 -16.713 -11.565 1.00 0.00 C ATOM 1629 O MET A 163 -2.374 -15.793 -11.111 1.00 0.00 O ATOM 1630 CB MET A 163 -2.053 -17.880 -9.380 1.00 0.00 C ATOM 1631 CG MET A 163 -3.453 -18.412 -9.122 1.00 0.80 C ATOM 1632 SD MET A 163 -3.504 -20.210 -9.012 1.00 1.12 S ATOM 1633 CE MET A 163 -4.522 -20.435 -7.555 1.00 1.28 C ATOM 0 H MET A 163 0.494 -17.839 -10.817 1.00 0.00 H new ATOM 0 HA MET A 163 -2.239 -18.767 -11.328 1.00 0.00 H new ATOM 0 HB2 MET A 163 -1.351 -18.394 -8.723 1.00 0.00 H new ATOM 0 HB3 MET A 163 -2.021 -16.823 -9.116 1.00 0.00 H new ATOM 0 HG2 MET A 163 -3.835 -17.984 -8.195 1.00 0.80 H new ATOM 0 HG3 MET A 163 -4.116 -18.082 -9.922 1.00 0.80 H new ATOM 0 HE1 MET A 163 -4.645 -21.500 -7.358 1.00 1.28 H new ATOM 0 HE2 MET A 163 -4.042 -19.960 -6.699 1.00 1.28 H new ATOM 0 HE3 MET A 163 -5.499 -19.982 -7.720 1.00 1.28 H new ATOM 1643 N SER A 164 -1.014 -16.619 -12.703 1.00 0.00 N ATOM 1644 CA SER A 164 -1.029 -15.400 -13.504 1.00 0.00 C ATOM 1645 C SER A 164 -2.455 -14.893 -13.719 1.00 0.00 C ATOM 1646 O SER A 164 -2.742 -13.720 -13.485 1.00 0.00 O ATOM 1647 CB SER A 164 -0.352 -15.639 -14.856 1.00 0.00 C ATOM 1648 OG SER A 164 0.470 -16.793 -14.818 1.00 1.28 O ATOM 0 H SER A 164 -0.446 -17.372 -13.091 1.00 0.00 H new ATOM 0 HA SER A 164 -0.475 -14.638 -12.956 1.00 0.00 H new ATOM 0 HB2 SER A 164 -1.110 -15.754 -15.631 1.00 0.00 H new ATOM 0 HB3 SER A 164 0.248 -14.770 -15.124 1.00 0.00 H new ATOM 0 HG SER A 164 0.890 -16.925 -15.694 1.00 1.28 H new ATOM 1654 N PRO A 165 -3.370 -15.769 -14.176 1.00 0.00 N ATOM 1655 CA PRO A 165 -4.767 -15.397 -14.422 1.00 0.00 C ATOM 1656 C PRO A 165 -5.352 -14.534 -13.308 1.00 0.00 C ATOM 1657 O PRO A 165 -6.166 -13.646 -13.561 1.00 0.00 O ATOM 1658 CB PRO A 165 -5.472 -16.750 -14.482 1.00 0.00 C ATOM 1659 CG PRO A 165 -4.442 -17.675 -15.029 1.00 0.00 C ATOM 1660 CD PRO A 165 -3.119 -17.191 -14.493 1.00 0.00 C ATOM 0 HA PRO A 165 -4.880 -14.794 -15.323 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -5.809 -17.068 -13.495 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -6.353 -16.712 -15.122 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -4.636 -18.702 -14.719 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -4.448 -17.665 -16.119 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -2.816 -17.751 -13.608 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -2.323 -17.303 -15.229 1.00 0.00 H new ATOM 1668 N LEU A 166 -4.930 -14.797 -12.076 1.00 0.00 N ATOM 1669 CA LEU A 166 -5.414 -14.039 -10.926 1.00 0.00 C ATOM 1670 C LEU A 166 -5.099 -12.555 -11.085 1.00 0.00 C ATOM 1671 O LEU A 166 -5.846 -11.697 -10.615 1.00 0.00 O ATOM 1672 CB LEU A 166 -4.790 -14.571 -9.636 1.00 0.00 C ATOM 1673 CG LEU A 166 -5.707 -14.539 -8.412 1.00 0.36 C ATOM 1674 CD1 LEU A 166 -6.656 -15.728 -8.425 1.00 1.26 C ATOM 1675 CD2 LEU A 166 -4.887 -14.524 -7.130 1.00 1.47 C ATOM 0 H LEU A 166 -4.256 -15.527 -11.847 1.00 0.00 H new ATOM 0 HA LEU A 166 -6.496 -14.160 -10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -4.468 -15.599 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -3.895 -13.989 -9.416 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.300 -13.625 -8.451 1.00 0.36 H new ATOM 0 HD11 LEU A 166 -7.301 -15.689 -7.547 1.00 1.26 H new ATOM 0 HD12 LEU A 166 -7.268 -15.695 -9.326 1.00 1.26 H new ATOM 0 HD13 LEU A 166 -6.080 -16.653 -8.411 1.00 1.26 H new ATOM 0 HD21 LEU A 166 -5.556 -14.501 -6.270 1.00 1.47 H new ATOM 0 HD22 LEU A 166 -4.267 -15.420 -7.084 1.00 1.47 H new ATOM 0 HD23 LEU A 166 -4.249 -13.640 -7.117 1.00 1.47 H new ATOM 1687 N VAL A 167 -3.989 -12.260 -11.755 1.00 0.00 N ATOM 1688 CA VAL A 167 -3.574 -10.881 -11.981 1.00 0.00 C ATOM 1689 C VAL A 167 -4.727 -10.043 -12.522 1.00 0.00 C ATOM 1690 O VAL A 167 -4.876 -8.873 -12.169 1.00 0.00 O ATOM 1691 CB VAL A 167 -2.394 -10.804 -12.969 1.00 0.01 C ATOM 1692 CG1 VAL A 167 -2.073 -9.357 -13.307 1.00 1.09 C ATOM 1693 CG2 VAL A 167 -1.172 -11.509 -12.399 1.00 1.08 C ATOM 0 H VAL A 167 -3.361 -12.959 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 167 -3.258 -10.484 -11.016 1.00 0.00 H new ATOM 0 HB VAL A 167 -2.682 -11.313 -13.889 1.00 0.01 H new ATOM 0 HG11 VAL A 167 -1.237 -9.323 -14.006 1.00 1.09 H new ATOM 0 HG12 VAL A 167 -2.945 -8.887 -13.762 1.00 1.09 H new ATOM 0 HG13 VAL A 167 -1.806 -8.821 -12.396 1.00 1.09 H new ATOM 0 HG21 VAL A 167 -0.349 -11.444 -13.111 1.00 1.08 H new ATOM 0 HG22 VAL A 167 -0.880 -11.032 -11.463 1.00 1.08 H new ATOM 0 HG23 VAL A 167 -1.410 -12.557 -12.214 1.00 1.08 H new ATOM 1703 N ASP A 168 -5.539 -10.650 -13.381 1.00 0.00 N ATOM 1704 CA ASP A 168 -6.680 -9.961 -13.972 1.00 0.00 C ATOM 1705 C ASP A 168 -7.731 -9.641 -12.914 1.00 0.00 C ATOM 1706 O ASP A 168 -8.376 -8.592 -12.963 1.00 0.00 O ATOM 1707 CB ASP A 168 -7.300 -10.817 -15.079 1.00 0.00 C ATOM 1708 CG ASP A 168 -7.351 -10.092 -16.409 1.00 1.09 C ATOM 1709 OD1 ASP A 168 -7.629 -8.874 -16.412 1.00 1.78 O ATOM 1710 OD2 ASP A 168 -7.112 -10.741 -17.449 1.00 1.95 O ATOM 0 H ASP A 168 -5.428 -11.618 -13.683 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.325 -9.024 -14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -6.723 -11.735 -15.191 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.309 -11.108 -14.788 1.00 0.00 H new ATOM 1715 N ASN A 169 -7.897 -10.548 -11.958 1.00 0.00 N ATOM 1716 CA ASN A 169 -8.869 -10.364 -10.887 1.00 0.00 C ATOM 1717 C ASN A 169 -8.458 -9.215 -9.972 1.00 0.00 C ATOM 1718 O ASN A 169 -9.227 -8.280 -9.749 1.00 0.00 O ATOM 1719 CB ASN A 169 -9.012 -11.651 -10.075 1.00 0.00 C ATOM 1720 CG ASN A 169 -10.439 -12.165 -10.050 1.00 0.61 C ATOM 1721 OD1 ASN A 169 -11.387 -11.409 -10.266 1.00 1.57 O ATOM 1722 ND2 ASN A 169 -10.598 -13.455 -9.783 1.00 0.96 N ATOM 0 H ASN A 169 -7.370 -11.420 -11.903 1.00 0.00 H new ATOM 0 HA ASN A 169 -9.830 -10.119 -11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 169 -8.360 -12.417 -10.496 1.00 0.00 H new ATOM 0 HB3 ASN A 169 -8.675 -11.472 -9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 169 -11.535 -13.857 -9.750 1.00 0.96 H new ATOM 0 HD22 ASN A 169 -9.784 -14.044 -9.610 1.00 0.96 H new ATOM 1729 N ILE A 170 -7.242 -9.294 -9.442 1.00 0.00 N ATOM 1730 CA ILE A 170 -6.730 -8.262 -8.550 1.00 0.00 C ATOM 1731 C ILE A 170 -6.798 -6.887 -9.205 1.00 0.00 C ATOM 1732 O ILE A 170 -7.200 -5.908 -8.577 1.00 0.00 O ATOM 1733 CB ILE A 170 -5.274 -8.549 -8.137 1.00 0.00 C ATOM 1734 CG1 ILE A 170 -5.227 -9.668 -7.096 1.00 0.26 C ATOM 1735 CG2 ILE A 170 -4.619 -7.287 -7.596 1.00 0.26 C ATOM 1736 CD1 ILE A 170 -3.977 -10.516 -7.178 1.00 1.32 C ATOM 0 H ILE A 170 -6.593 -10.062 -9.615 1.00 0.00 H new ATOM 0 HA ILE A 170 -7.361 -8.270 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 170 -4.720 -8.874 -9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -5.295 -9.230 -6.100 1.00 0.26 H new ATOM 0 HG13 ILE A 170 -6.100 -10.308 -7.223 1.00 0.26 H new ATOM 0 HG21 ILE A 170 -3.591 -7.505 -7.308 1.00 0.26 H new ATOM 0 HG22 ILE A 170 -4.624 -6.516 -8.366 1.00 0.26 H new ATOM 0 HG23 ILE A 170 -5.172 -6.934 -6.725 1.00 0.26 H new ATOM 0 HD11 ILE A 170 -4.011 -11.289 -6.411 1.00 1.32 H new ATOM 0 HD12 ILE A 170 -3.918 -10.983 -8.161 1.00 1.32 H new ATOM 0 HD13 ILE A 170 -3.100 -9.888 -7.021 1.00 1.32 H new ATOM 1748 N ALA A 171 -6.404 -6.822 -10.472 1.00 0.00 N ATOM 1749 CA ALA A 171 -6.420 -5.567 -11.213 1.00 0.00 C ATOM 1750 C ALA A 171 -7.839 -5.021 -11.329 1.00 0.00 C ATOM 1751 O ALA A 171 -8.050 -3.808 -11.327 1.00 0.00 O ATOM 1752 CB ALA A 171 -5.813 -5.763 -12.594 1.00 0.00 C ATOM 0 H ALA A 171 -6.070 -7.624 -11.007 1.00 0.00 H new ATOM 0 HA ALA A 171 -5.821 -4.840 -10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -5.831 -4.818 -13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -4.783 -6.104 -12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -6.390 -6.508 -13.143 1.00 0.00 H new ATOM 1758 N LEU A 172 -8.809 -5.923 -11.428 1.00 0.00 N ATOM 1759 CA LEU A 172 -10.210 -5.534 -11.544 1.00 0.00 C ATOM 1760 C LEU A 172 -10.724 -4.956 -10.229 1.00 0.00 C ATOM 1761 O LEU A 172 -11.345 -3.892 -10.208 1.00 0.01 O ATOM 1762 CB LEU A 172 -11.061 -6.737 -11.957 1.00 0.01 C ATOM 1763 CG LEU A 172 -12.397 -6.390 -12.617 1.00 0.65 C ATOM 1764 CD1 LEU A 172 -12.173 -5.577 -13.881 1.00 1.48 C ATOM 1765 CD2 LEU A 172 -13.180 -7.657 -12.926 1.00 1.65 C ATOM 0 H LEU A 172 -8.651 -6.931 -11.430 1.00 0.00 H new ATOM 0 HA LEU A 172 -10.287 -4.764 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -10.482 -7.353 -12.645 1.00 0.01 H new ATOM 0 HB3 LEU A 172 -11.257 -7.345 -11.073 1.00 0.01 H new ATOM 0 HG LEU A 172 -12.980 -5.786 -11.922 1.00 0.65 H new ATOM 0 HD11 LEU A 172 -13.135 -5.340 -14.336 1.00 1.48 H new ATOM 0 HD12 LEU A 172 -11.652 -4.653 -13.632 1.00 1.48 H new ATOM 0 HD13 LEU A 172 -11.572 -6.154 -14.583 1.00 1.48 H new ATOM 0 HD21 LEU A 172 -14.128 -7.394 -13.395 1.00 1.65 H new ATOM 0 HD22 LEU A 172 -12.602 -8.286 -13.603 1.00 1.65 H new ATOM 0 HD23 LEU A 172 -13.372 -8.201 -12.001 1.00 1.65 H new ATOM 1777 N TRP A 173 -10.462 -5.664 -9.134 1.00 0.00 N ATOM 1778 CA TRP A 173 -10.899 -5.222 -7.814 1.00 0.00 C ATOM 1779 C TRP A 173 -10.380 -3.820 -7.509 1.00 0.00 C ATOM 1780 O TRP A 173 -11.152 -2.920 -7.183 1.00 0.00 O ATOM 1781 CB TRP A 173 -10.420 -6.202 -6.742 1.00 0.00 C ATOM 1782 CG TRP A 173 -11.034 -7.563 -6.864 1.00 0.68 C ATOM 1783 CD1 TRP A 173 -12.309 -7.854 -7.259 1.00 1.35 C ATOM 1784 CD2 TRP A 173 -10.402 -8.819 -6.591 1.00 1.26 C ATOM 1785 NE1 TRP A 173 -12.507 -9.214 -7.247 1.00 1.77 N ATOM 1786 CE2 TRP A 173 -11.352 -9.827 -6.841 1.00 1.70 C ATOM 1787 CE3 TRP A 173 -9.125 -9.189 -6.159 1.00 1.89 C ATOM 1788 CZ2 TRP A 173 -11.064 -11.180 -6.674 1.00 2.32 C ATOM 1789 CZ3 TRP A 173 -8.841 -10.531 -5.994 1.00 2.60 C ATOM 1790 CH2 TRP A 173 -9.806 -11.512 -6.251 1.00 2.70 C ATOM 0 H TRP A 173 -9.949 -6.546 -9.135 1.00 0.00 H new ATOM 0 HA TRP A 173 -11.989 -5.194 -7.810 1.00 0.00 H new ATOM 0 HB2 TRP A 173 -9.336 -6.294 -6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 173 -10.651 -5.794 -5.758 1.00 0.00 H new ATOM 0 HD1 TRP A 173 -13.052 -7.123 -7.540 1.00 1.35 H new ATOM 0 HE1 TRP A 173 -13.373 -9.689 -7.499 1.00 1.77 H new ATOM 0 HE3 TRP A 173 -8.374 -8.439 -5.958 1.00 1.89 H new ATOM 0 HZ2 TRP A 173 -11.807 -11.939 -6.871 1.00 2.32 H new ATOM 0 HZ3 TRP A 173 -7.858 -10.828 -5.661 1.00 2.60 H new ATOM 0 HH2 TRP A 173 -9.552 -12.553 -6.112 1.00 2.70 H new ATOM 1801 N MET A 174 -9.067 -3.643 -7.617 1.00 0.00 N ATOM 1802 CA MET A 174 -8.447 -2.349 -7.352 1.00 0.00 C ATOM 1803 C MET A 174 -9.143 -1.241 -8.136 1.00 0.00 C ATOM 1804 O MET A 174 -9.194 -0.093 -7.695 1.00 0.00 O ATOM 1805 CB MET A 174 -6.960 -2.391 -7.712 1.00 0.01 C ATOM 1806 CG MET A 174 -6.114 -3.164 -6.713 1.00 0.60 C ATOM 1807 SD MET A 174 -4.569 -3.759 -7.426 1.00 1.02 S ATOM 1808 CE MET A 174 -3.815 -2.217 -7.936 1.00 0.87 C ATOM 0 H MET A 174 -8.413 -4.378 -7.886 1.00 0.00 H new ATOM 0 HA MET A 174 -8.550 -2.134 -6.288 1.00 0.00 H new ATOM 0 HB2 MET A 174 -6.846 -2.842 -8.698 1.00 0.01 H new ATOM 0 HB3 MET A 174 -6.583 -1.371 -7.782 1.00 0.01 H new ATOM 0 HG2 MET A 174 -5.893 -2.525 -5.858 1.00 0.60 H new ATOM 0 HG3 MET A 174 -6.687 -4.012 -6.337 1.00 0.60 H new ATOM 0 HE1 MET A 174 -2.731 -2.298 -7.856 1.00 0.87 H new ATOM 0 HE2 MET A 174 -4.088 -2.003 -8.969 1.00 0.87 H new ATOM 0 HE3 MET A 174 -4.166 -1.410 -7.293 1.00 0.87 H new ATOM 1818 N THR A 175 -9.677 -1.591 -9.303 1.00 0.00 N ATOM 1819 CA THR A 175 -10.369 -0.628 -10.149 1.00 0.00 C ATOM 1820 C THR A 175 -11.743 -0.287 -9.582 1.00 0.00 C ATOM 1821 O THR A 175 -12.149 0.876 -9.570 1.00 0.01 O ATOM 1822 CB THR A 175 -10.537 -1.162 -11.583 1.00 0.07 C ATOM 1823 OG1 THR A 175 -9.414 -0.774 -12.384 1.00 1.19 O ATOM 1824 CG2 THR A 175 -11.820 -0.637 -12.210 1.00 1.15 C ATOM 0 H THR A 175 -9.643 -2.537 -9.683 1.00 0.00 H new ATOM 0 HA THR A 175 -9.755 0.272 -10.173 1.00 0.00 H new ATOM 0 HB THR A 175 -10.593 -2.250 -11.538 1.00 0.07 H new ATOM 0 HG1 THR A 175 -9.527 -1.119 -13.294 1.00 1.19 H new ATOM 0 HG21 THR A 175 -11.916 -1.028 -13.223 1.00 1.15 H new ATOM 0 HG22 THR A 175 -12.674 -0.958 -11.614 1.00 1.15 H new ATOM 0 HG23 THR A 175 -11.790 0.452 -12.243 1.00 1.15 H new ATOM 1832 N GLU A 176 -12.453 -1.307 -9.112 1.00 0.00 N ATOM 1833 CA GLU A 176 -13.781 -1.116 -8.543 1.00 0.00 C ATOM 1834 C GLU A 176 -13.715 -0.259 -7.285 1.00 0.00 C ATOM 1835 O GLU A 176 -14.334 0.802 -7.210 1.00 0.00 O ATOM 1836 CB GLU A 176 -14.420 -2.468 -8.219 1.00 0.00 C ATOM 1837 CG GLU A 176 -15.716 -2.724 -8.967 1.00 0.67 C ATOM 1838 CD GLU A 176 -16.611 -3.721 -8.255 1.00 1.27 C ATOM 1839 OE1 GLU A 176 -16.791 -3.585 -7.027 1.00 2.08 O ATOM 1840 OE2 GLU A 176 -17.132 -4.636 -8.926 1.00 1.81 O ATOM 0 H GLU A 176 -12.130 -2.275 -9.114 1.00 0.00 H new ATOM 0 HA GLU A 176 -14.394 -0.600 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -13.711 -3.261 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -14.612 -2.522 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -16.252 -1.783 -9.091 1.00 0.67 H new ATOM 0 HG3 GLU A 176 -15.488 -3.095 -9.966 1.00 0.67 H new ATOM 1847 N TYR A 177 -12.959 -0.727 -6.298 1.00 0.00 N ATOM 1848 CA TYR A 177 -12.809 -0.004 -5.041 1.00 0.00 C ATOM 1849 C TYR A 177 -12.480 1.464 -5.292 1.00 0.00 C ATOM 1850 O TYR A 177 -13.101 2.357 -4.716 1.00 0.00 O ATOM 1851 CB TYR A 177 -11.710 -0.644 -4.190 1.00 0.00 C ATOM 1852 CG TYR A 177 -12.238 -1.470 -3.039 1.00 0.38 C ATOM 1853 CD1 TYR A 177 -13.251 -0.987 -2.220 1.00 1.32 C ATOM 1854 CD2 TYR A 177 -11.724 -2.732 -2.773 1.00 1.28 C ATOM 1855 CE1 TYR A 177 -13.736 -1.739 -1.167 1.00 1.52 C ATOM 1856 CE2 TYR A 177 -12.204 -3.490 -1.722 1.00 1.46 C ATOM 1857 CZ TYR A 177 -13.210 -2.989 -0.922 1.00 1.08 C ATOM 1858 OH TYR A 177 -13.691 -3.741 0.124 1.00 1.43 O ATOM 0 H TYR A 177 -12.440 -1.604 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 177 -13.756 -0.059 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 177 -11.092 -1.277 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 177 -11.064 0.141 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 177 -13.666 -0.008 -2.409 1.00 1.32 H new ATOM 0 HD2 TYR A 177 -10.937 -3.128 -3.397 1.00 1.28 H new ATOM 0 HE1 TYR A 177 -14.523 -1.349 -0.539 1.00 1.52 H new ATOM 0 HE2 TYR A 177 -11.794 -4.470 -1.528 1.00 1.46 H new ATOM 0 HH TYR A 177 -13.214 -4.597 0.158 1.00 1.43 H new ATOM 1868 N LEU A 178 -11.500 1.705 -6.155 1.00 0.00 N ATOM 1869 CA LEU A 178 -11.089 3.064 -6.482 1.00 0.00 C ATOM 1870 C LEU A 178 -12.247 3.861 -7.076 1.00 0.00 C ATOM 1871 O LEU A 178 -12.307 5.083 -6.932 1.00 0.00 O ATOM 1872 CB LEU A 178 -9.908 3.044 -7.454 1.00 0.01 C ATOM 1873 CG LEU A 178 -8.554 3.383 -6.830 1.00 0.39 C ATOM 1874 CD1 LEU A 178 -7.426 3.111 -7.814 1.00 1.52 C ATOM 1875 CD2 LEU A 178 -8.528 4.833 -6.372 1.00 1.34 C ATOM 0 H LEU A 178 -10.976 0.977 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.779 3.553 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -9.845 2.054 -7.906 1.00 0.01 H new ATOM 0 HB3 LEU A 178 -10.107 3.751 -8.260 1.00 0.01 H new ATOM 0 HG LEU A 178 -8.407 2.744 -5.959 1.00 0.39 H new ATOM 0 HD11 LEU A 178 -6.471 3.359 -7.350 1.00 1.52 H new ATOM 0 HD12 LEU A 178 -7.432 2.057 -8.092 1.00 1.52 H new ATOM 0 HD13 LEU A 178 -7.566 3.722 -8.706 1.00 1.52 H new ATOM 0 HD21 LEU A 178 -7.557 5.058 -5.930 1.00 1.34 H new ATOM 0 HD22 LEU A 178 -8.698 5.488 -7.227 1.00 1.34 H new ATOM 0 HD23 LEU A 178 -9.310 4.994 -5.630 1.00 1.34 H new ATOM 1887 N ASN A 179 -13.167 3.166 -7.737 1.00 0.00 N ATOM 1888 CA ASN A 179 -14.324 3.816 -8.343 1.00 0.00 C ATOM 1889 C ASN A 179 -15.598 3.510 -7.558 1.00 0.00 C ATOM 1890 O ASN A 179 -16.694 3.506 -8.118 1.00 0.00 O ATOM 1891 CB ASN A 179 -14.488 3.369 -9.797 1.00 0.00 C ATOM 1892 CG ASN A 179 -15.298 4.354 -10.616 1.00 0.76 C ATOM 1893 OD1 ASN A 179 -15.290 5.557 -10.350 1.00 1.18 O ATOM 1894 ND2 ASN A 179 -16.008 3.849 -11.619 1.00 1.28 N ATOM 0 H ASN A 179 -13.134 2.155 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 179 -14.154 4.892 -8.319 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -13.504 3.247 -10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -14.974 2.394 -9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -16.575 4.464 -12.203 1.00 1.28 H new ATOM 0 HD22 ASN A 179 -15.986 2.846 -11.805 1.00 1.28 H new ATOM 1901 N ARG A 180 -15.448 3.256 -6.262 1.00 0.00 N ATOM 1902 CA ARG A 180 -16.590 2.952 -5.407 1.00 0.00 C ATOM 1903 C ARG A 180 -16.203 3.022 -3.932 1.00 0.00 C ATOM 1904 O ARG A 180 -16.739 2.285 -3.104 1.00 0.00 O ATOM 1905 CB ARG A 180 -17.146 1.565 -5.735 1.00 0.00 C ATOM 1906 CG ARG A 180 -18.662 1.487 -5.668 1.00 1.17 C ATOM 1907 CD ARG A 180 -19.145 0.048 -5.613 1.00 1.58 C ATOM 1908 NE ARG A 180 -20.160 -0.233 -6.628 1.00 2.32 N ATOM 1909 CZ ARG A 180 -21.371 0.323 -6.643 1.00 2.94 C ATOM 1910 NH1 ARG A 180 -21.725 1.195 -5.708 1.00 3.05 N ATOM 1911 NH2 ARG A 180 -22.231 0.004 -7.601 1.00 3.88 N ATOM 0 H ARG A 180 -14.548 3.255 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 180 -17.361 3.699 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -16.819 1.279 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -16.722 0.839 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -19.016 2.024 -4.788 1.00 1.17 H new ATOM 0 HG3 ARG A 180 -19.091 1.983 -6.539 1.00 1.17 H new ATOM 0 HD2 ARG A 180 -18.298 -0.623 -5.753 1.00 1.58 H new ATOM 0 HD3 ARG A 180 -19.555 -0.158 -4.624 1.00 1.58 H new ATOM 0 HE ARG A 180 -19.927 -0.894 -7.369 1.00 2.32 H new ATOM 0 HH11 ARG A 180 -21.068 1.445 -4.969 1.00 3.05 H new ATOM 0 HH12 ARG A 180 -22.654 1.615 -5.728 1.00 3.05 H new ATOM 0 HH21 ARG A 180 -21.965 -0.665 -8.323 1.00 3.88 H new ATOM 0 HH22 ARG A 180 -23.159 0.428 -7.615 1.00 3.88 H new ATOM 1925 N HIS A 181 -15.271 3.914 -3.609 1.00 0.00 N ATOM 1926 CA HIS A 181 -14.816 4.079 -2.234 1.00 0.00 C ATOM 1927 C HIS A 181 -13.909 5.298 -2.103 1.00 0.00 C ATOM 1928 O HIS A 181 -14.183 6.209 -1.322 1.00 0.00 O ATOM 1929 CB HIS A 181 -14.077 2.826 -1.762 1.00 0.00 C ATOM 1930 CG HIS A 181 -14.713 2.165 -0.579 1.00 0.03 C ATOM 1931 ND1 HIS A 181 -15.474 1.019 -0.675 1.00 1.15 N ATOM 1932 CD2 HIS A 181 -14.696 2.493 0.735 1.00 1.01 C ATOM 1933 CE1 HIS A 181 -15.898 0.671 0.527 1.00 0.85 C ATOM 1934 NE2 HIS A 181 -15.439 1.548 1.400 1.00 0.46 N ATOM 0 H HIS A 181 -14.817 4.533 -4.281 1.00 0.00 H new ATOM 0 HA HIS A 181 -15.693 4.232 -1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 181 -14.028 2.112 -2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 181 -13.051 3.093 -1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 181 -14.192 3.340 1.178 1.00 1.01 H new ATOM 0 HE1 HIS A 181 -16.515 -0.185 0.756 1.00 0.85 H new ATOM 0 HE2 HIS A 181 -15.608 1.527 2.406 1.00 0.46 H new ATOM 1943 N LEU A 182 -12.826 5.310 -2.875 1.00 0.00 N ATOM 1944 CA LEU A 182 -11.882 6.421 -2.845 1.00 0.00 C ATOM 1945 C LEU A 182 -12.150 7.420 -3.973 1.00 0.00 C ATOM 1946 O LEU A 182 -11.320 8.286 -4.248 1.00 0.00 O ATOM 1947 CB LEU A 182 -10.447 5.900 -2.946 1.00 0.00 C ATOM 1948 CG LEU A 182 -10.018 4.957 -1.820 1.00 0.26 C ATOM 1949 CD1 LEU A 182 -9.592 3.612 -2.384 1.00 1.14 C ATOM 1950 CD2 LEU A 182 -8.890 5.576 -1.007 1.00 1.25 C ATOM 0 H LEU A 182 -12.581 4.565 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 182 -12.015 6.939 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 182 -10.332 5.381 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 182 -9.768 6.752 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 182 -10.871 4.798 -1.160 1.00 0.26 H new ATOM 0 HD11 LEU A 182 -9.290 2.955 -1.569 1.00 1.14 H new ATOM 0 HD12 LEU A 182 -10.426 3.163 -2.923 1.00 1.14 H new ATOM 0 HD13 LEU A 182 -8.753 3.753 -3.066 1.00 1.14 H new ATOM 0 HD21 LEU A 182 -8.598 4.892 -0.211 1.00 1.25 H new ATOM 0 HD22 LEU A 182 -8.035 5.764 -1.656 1.00 1.25 H new ATOM 0 HD23 LEU A 182 -9.229 6.516 -0.571 1.00 1.25 H new ATOM 1962 N HIS A 183 -13.309 7.306 -4.623 1.00 0.00 N ATOM 1963 CA HIS A 183 -13.661 8.212 -5.709 1.00 0.00 C ATOM 1964 C HIS A 183 -14.166 9.544 -5.162 1.00 0.00 C ATOM 1965 O HIS A 183 -13.991 10.589 -5.788 1.00 0.00 O ATOM 1966 CB HIS A 183 -14.726 7.578 -6.605 1.00 0.00 C ATOM 1967 CG HIS A 183 -14.955 8.325 -7.882 1.00 0.77 C ATOM 1968 ND1 HIS A 183 -13.954 8.576 -8.796 1.00 1.71 N ATOM 1969 CD2 HIS A 183 -16.080 8.879 -8.395 1.00 1.49 C ATOM 1970 CE1 HIS A 183 -14.453 9.254 -9.816 1.00 2.09 C ATOM 1971 NE2 HIS A 183 -15.739 9.449 -9.596 1.00 1.88 N ATOM 0 H HIS A 183 -14.014 6.599 -4.416 1.00 0.00 H new ATOM 0 HA HIS A 183 -12.764 8.398 -6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 183 -14.430 6.556 -6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 183 -15.665 7.520 -6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 183 -17.061 8.873 -7.944 1.00 1.49 H new ATOM 0 HE1 HIS A 183 -13.902 9.591 -10.682 1.00 2.09 H new ATOM 0 HE2 HIS A 183 -16.378 9.944 -10.219 1.00 1.88 H new ATOM 1980 N THR A 184 -14.791 9.495 -3.990 1.00 0.00 N ATOM 1981 CA THR A 184 -15.321 10.697 -3.356 1.00 0.00 C ATOM 1982 C THR A 184 -14.220 11.470 -2.638 1.00 0.00 C ATOM 1983 O THR A 184 -14.101 12.686 -2.791 1.00 0.00 O ATOM 1984 CB THR A 184 -16.433 10.352 -2.347 1.00 0.00 C ATOM 1985 OG1 THR A 184 -16.133 9.115 -1.689 1.00 1.09 O ATOM 1986 CG2 THR A 184 -17.782 10.246 -3.043 1.00 1.15 C ATOM 0 H THR A 184 -14.943 8.637 -3.460 1.00 0.00 H new ATOM 0 HA THR A 184 -15.738 11.318 -4.149 1.00 0.00 H new ATOM 0 HB THR A 184 -16.483 11.153 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 184 -16.844 8.904 -1.048 1.00 1.09 H new ATOM 0 HG21 THR A 184 -18.551 10.002 -2.310 1.00 1.15 H new ATOM 0 HG22 THR A 184 -18.022 11.197 -3.518 1.00 1.15 H new ATOM 0 HG23 THR A 184 -17.740 9.463 -3.800 1.00 1.15 H new ATOM 1994 N TRP A 185 -13.417 10.758 -1.854 1.00 0.00 N ATOM 1995 CA TRP A 185 -12.325 11.378 -1.110 1.00 0.00 C ATOM 1996 C TRP A 185 -11.332 12.050 -2.053 1.00 0.00 C ATOM 1997 O TRP A 185 -11.050 13.241 -1.926 1.00 0.00 O ATOM 1998 CB TRP A 185 -11.603 10.332 -0.258 1.00 0.00 C ATOM 1999 CG TRP A 185 -12.438 9.803 0.867 1.00 0.34 C ATOM 2000 CD1 TRP A 185 -13.138 8.632 0.888 1.00 1.09 C ATOM 2001 CD2 TRP A 185 -12.661 10.429 2.135 1.00 0.82 C ATOM 2002 NE1 TRP A 185 -13.784 8.490 2.093 1.00 1.10 N ATOM 2003 CE2 TRP A 185 -13.506 9.581 2.876 1.00 0.81 C ATOM 2004 CE3 TRP A 185 -12.228 11.624 2.716 1.00 1.72 C ATOM 2005 CZ2 TRP A 185 -13.925 9.891 4.166 1.00 1.25 C ATOM 2006 CZ3 TRP A 185 -12.645 11.930 3.998 1.00 2.30 C ATOM 2007 CH2 TRP A 185 -13.486 11.067 4.711 1.00 1.98 C ATOM 0 H TRP A 185 -13.502 9.751 -1.717 1.00 0.00 H new ATOM 0 HA TRP A 185 -12.753 12.140 -0.458 1.00 0.00 H new ATOM 0 HB2 TRP A 185 -11.298 9.502 -0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 185 -10.693 10.772 0.150 1.00 0.00 H new ATOM 0 HD1 TRP A 185 -13.179 7.921 0.076 1.00 1.09 H new ATOM 0 HE1 TRP A 185 -14.374 7.702 2.361 1.00 1.10 H new ATOM 0 HE3 TRP A 185 -11.580 12.296 2.173 1.00 1.72 H new ATOM 0 HZ2 TRP A 185 -14.574 9.227 4.718 1.00 1.25 H new ATOM 0 HZ3 TRP A 185 -12.316 12.851 4.457 1.00 2.30 H new ATOM 0 HH2 TRP A 185 -13.794 11.335 5.711 1.00 1.98 H new ATOM 2018 N ILE A 186 -10.803 11.275 -2.994 1.00 0.00 N ATOM 2019 CA ILE A 186 -9.838 11.788 -3.961 1.00 0.00 C ATOM 2020 C ILE A 186 -10.301 13.112 -4.557 1.00 0.00 C ATOM 2021 O ILE A 186 -9.627 14.133 -4.425 1.00 0.00 O ATOM 2022 CB ILE A 186 -9.601 10.780 -5.101 1.00 0.03 C ATOM 2023 CG1 ILE A 186 -8.854 9.551 -4.579 1.00 1.36 C ATOM 2024 CG2 ILE A 186 -8.829 11.435 -6.236 1.00 1.39 C ATOM 2025 CD1 ILE A 186 -8.792 8.414 -5.576 1.00 2.32 C ATOM 0 H ILE A 186 -11.027 10.286 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 186 -8.904 11.946 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 186 -10.568 10.456 -5.486 1.00 0.03 H new ATOM 0 HG12 ILE A 186 -7.839 9.841 -4.307 1.00 1.36 H new ATOM 0 HG13 ILE A 186 -9.340 9.200 -3.669 1.00 1.36 H new ATOM 0 HG21 ILE A 186 -8.670 10.710 -7.034 1.00 1.39 H new ATOM 0 HG22 ILE A 186 -9.398 12.280 -6.623 1.00 1.39 H new ATOM 0 HG23 ILE A 186 -7.865 11.785 -5.866 1.00 1.39 H new ATOM 0 HD11 ILE A 186 -8.248 7.576 -5.139 1.00 2.32 H new ATOM 0 HD12 ILE A 186 -9.804 8.097 -5.830 1.00 2.32 H new ATOM 0 HD13 ILE A 186 -8.279 8.748 -6.478 1.00 2.32 H new ATOM 2037 N GLN A 187 -11.455 13.088 -5.213 1.00 0.00 N ATOM 2038 CA GLN A 187 -12.008 14.286 -5.832 1.00 0.00 C ATOM 2039 C GLN A 187 -12.121 15.425 -4.822 1.00 0.00 C ATOM 2040 O GLN A 187 -12.033 16.598 -5.184 1.00 0.00 O ATOM 2041 CB GLN A 187 -13.382 13.986 -6.434 1.00 0.00 C ATOM 2042 CG GLN A 187 -13.693 14.803 -7.678 1.00 1.09 C ATOM 2043 CD GLN A 187 -15.177 14.863 -7.980 1.00 1.34 C ATOM 2044 OE1 GLN A 187 -15.759 13.901 -8.482 1.00 1.78 O ATOM 2045 NE2 GLN A 187 -15.798 15.997 -7.676 1.00 1.99 N ATOM 0 H GLN A 187 -12.026 12.251 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 187 -11.329 14.598 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 187 -13.437 12.926 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 187 -14.148 14.177 -5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 187 -13.311 15.816 -7.548 1.00 1.09 H new ATOM 0 HG3 GLN A 187 -13.169 14.372 -8.531 1.00 1.09 H new ATOM 0 HE21 GLN A 187 -15.276 16.769 -7.261 1.00 1.99 H new ATOM 0 HE22 GLN A 187 -16.797 16.096 -7.857 1.00 1.99 H new ATOM 2054 N ASP A 188 -12.317 15.073 -3.556 1.00 0.00 N ATOM 2055 CA ASP A 188 -12.443 16.070 -2.498 1.00 0.00 C ATOM 2056 C ASP A 188 -11.085 16.665 -2.141 1.00 0.00 C ATOM 2057 O ASP A 188 -10.988 17.837 -1.776 1.00 0.00 O ATOM 2058 CB ASP A 188 -13.084 15.450 -1.256 1.00 0.00 C ATOM 2059 CG ASP A 188 -13.790 16.480 -0.397 1.00 1.04 C ATOM 2060 OD1 ASP A 188 -14.723 17.137 -0.905 1.00 1.60 O ATOM 2061 OD2 ASP A 188 -13.409 16.630 0.783 1.00 1.98 O ATOM 0 H ASP A 188 -12.392 14.107 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 188 -13.083 16.872 -2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -13.798 14.685 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -12.316 14.952 -0.664 1.00 0.00 H new ATOM 2066 N ASN A 189 -10.038 15.853 -2.251 1.00 0.00 N ATOM 2067 CA ASN A 189 -8.687 16.306 -1.938 1.00 0.00 C ATOM 2068 C ASN A 189 -7.964 16.769 -3.200 1.00 0.00 C ATOM 2069 O ASN A 189 -6.845 16.339 -3.481 1.00 0.00 O ATOM 2070 CB ASN A 189 -7.895 15.187 -1.260 1.00 0.00 C ATOM 2071 CG ASN A 189 -8.093 15.172 0.243 1.00 0.69 C ATOM 2072 OD1 ASN A 189 -8.447 16.187 0.844 1.00 1.37 O ATOM 2073 ND2 ASN A 189 -7.866 14.018 0.860 1.00 1.06 N ATOM 0 H ASN A 189 -10.099 14.881 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 189 -8.762 17.151 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -8.200 14.226 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -6.835 15.308 -1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -7.984 13.948 1.871 1.00 1.06 H new ATOM 0 HD22 ASN A 189 -7.574 13.201 0.323 1.00 1.06 H new ATOM 2080 N GLY A 190 -8.613 17.648 -3.956 1.00 0.00 N ATOM 2081 CA GLY A 190 -8.022 18.159 -5.179 1.00 0.00 C ATOM 2082 C GLY A 190 -7.742 17.074 -6.206 1.00 0.00 C ATOM 2083 O GLY A 190 -6.980 17.292 -7.148 1.00 0.00 O ATOM 0 H GLY A 190 -9.540 18.016 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 190 -8.691 18.900 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 190 -7.091 18.672 -4.938 1.00 0.00 H new ATOM 2087 N GLY A 191 -8.358 15.905 -6.031 1.00 0.00 N ATOM 2088 CA GLY A 191 -8.156 14.811 -6.963 1.00 0.00 C ATOM 2089 C GLY A 191 -6.692 14.583 -7.288 1.00 0.00 C ATOM 2090 O GLY A 191 -5.809 15.036 -6.560 1.00 0.00 O ATOM 0 H GLY A 191 -8.993 15.698 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -8.577 13.898 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -8.701 15.018 -7.884 1.00 0.00 H new ATOM 2094 N TRP A 192 -6.437 13.882 -8.387 1.00 0.00 N ATOM 2095 CA TRP A 192 -5.071 13.595 -8.814 1.00 0.00 C ATOM 2096 C TRP A 192 -4.261 14.881 -8.944 1.00 0.00 C ATOM 2097 O TRP A 192 -3.068 14.910 -8.641 1.00 0.00 O ATOM 2098 CB TRP A 192 -5.082 12.852 -10.150 1.00 0.00 C ATOM 2099 CG TRP A 192 -4.882 11.371 -10.017 1.00 0.66 C ATOM 2100 CD1 TRP A 192 -4.344 10.533 -10.950 1.00 1.86 C ATOM 2101 CD2 TRP A 192 -5.218 10.555 -8.889 1.00 0.85 C ATOM 2102 NE1 TRP A 192 -4.325 9.245 -10.473 1.00 2.09 N ATOM 2103 CE2 TRP A 192 -4.856 9.231 -9.210 1.00 1.30 C ATOM 2104 CE3 TRP A 192 -5.789 10.811 -7.640 1.00 1.83 C ATOM 2105 CZ2 TRP A 192 -5.048 8.172 -8.327 1.00 1.57 C ATOM 2106 CZ3 TRP A 192 -5.979 9.758 -6.764 1.00 2.40 C ATOM 2107 CH2 TRP A 192 -5.610 8.454 -7.112 1.00 1.98 C ATOM 0 H TRP A 192 -7.158 13.501 -8.999 1.00 0.00 H new ATOM 0 HA TRP A 192 -4.603 12.966 -8.057 1.00 0.00 H new ATOM 0 HB2 TRP A 192 -6.032 13.038 -10.652 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -4.299 13.260 -10.789 1.00 0.00 H new ATOM 0 HD1 TRP A 192 -3.985 10.838 -11.922 1.00 1.86 H new ATOM 0 HE1 TRP A 192 -3.973 8.431 -10.977 1.00 2.09 H new ATOM 0 HE3 TRP A 192 -6.077 11.814 -7.363 1.00 1.83 H new ATOM 0 HZ2 TRP A 192 -4.764 7.164 -8.592 1.00 1.57 H new ATOM 0 HZ3 TRP A 192 -6.419 9.945 -5.796 1.00 2.40 H new ATOM 0 HH2 TRP A 192 -5.772 7.653 -6.406 1.00 1.98 H new ATOM 2118 N ASP A 193 -4.920 15.942 -9.401 1.00 0.00 N ATOM 2119 CA ASP A 193 -4.267 17.235 -9.578 1.00 0.00 C ATOM 2120 C ASP A 193 -3.437 17.607 -8.352 1.00 0.00 C ATOM 2121 O ASP A 193 -2.329 18.128 -8.477 1.00 0.00 O ATOM 2122 CB ASP A 193 -5.310 18.321 -9.850 1.00 0.00 C ATOM 2123 CG ASP A 193 -5.024 19.092 -11.125 1.00 1.16 C ATOM 2124 OD1 ASP A 193 -4.767 18.448 -12.163 1.00 1.91 O ATOM 2125 OD2 ASP A 193 -5.058 20.340 -11.082 1.00 1.95 O ATOM 0 H ASP A 193 -5.908 15.931 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 193 -3.596 17.158 -10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 193 -6.297 17.864 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 193 -5.338 19.013 -9.009 1.00 0.00 H new ATOM 2130 N ALA A 194 -3.980 17.338 -7.170 1.00 0.00 N ATOM 2131 CA ALA A 194 -3.289 17.647 -5.923 1.00 0.00 C ATOM 2132 C ALA A 194 -2.235 16.593 -5.600 1.00 0.00 C ATOM 2133 O ALA A 194 -1.169 16.909 -5.071 1.00 0.00 O ATOM 2134 CB ALA A 194 -4.289 17.765 -4.782 1.00 0.00 C ATOM 0 H ALA A 194 -4.896 16.907 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 194 -2.780 18.603 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -3.760 17.996 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -5.000 18.562 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -4.824 16.822 -4.668 1.00 0.00 H new ATOM 2140 N PHE A 195 -2.538 15.339 -5.921 1.00 0.00 N ATOM 2141 CA PHE A 195 -1.616 14.239 -5.661 1.00 0.00 C ATOM 2142 C PHE A 195 -0.261 14.492 -6.317 1.00 0.00 C ATOM 2143 O PHE A 195 0.785 14.271 -5.706 1.00 0.00 O ATOM 2144 CB PHE A 195 -2.203 12.921 -6.172 1.00 0.01 C ATOM 2145 CG PHE A 195 -2.008 11.769 -5.225 1.00 0.82 C ATOM 2146 CD1 PHE A 195 -0.918 11.737 -4.370 1.00 1.36 C ATOM 2147 CD2 PHE A 195 -2.913 10.722 -5.192 1.00 1.94 C ATOM 2148 CE1 PHE A 195 -0.736 10.680 -3.498 1.00 1.92 C ATOM 2149 CE2 PHE A 195 -2.736 9.661 -4.323 1.00 2.61 C ATOM 2150 CZ PHE A 195 -1.646 9.642 -3.475 1.00 2.35 C ATOM 0 H PHE A 195 -3.415 15.059 -6.361 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.470 14.172 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -3.269 13.054 -6.355 1.00 0.01 H new ATOM 0 HB3 PHE A 195 -1.744 12.675 -7.130 1.00 0.01 H new ATOM 0 HD1 PHE A 195 -0.203 12.546 -4.385 1.00 1.36 H new ATOM 0 HD2 PHE A 195 -3.767 10.734 -5.853 1.00 1.94 H new ATOM 0 HE1 PHE A 195 0.117 10.666 -2.836 1.00 1.92 H new ATOM 0 HE2 PHE A 195 -3.448 8.849 -4.307 1.00 2.61 H new ATOM 0 HZ PHE A 195 -1.506 8.815 -2.794 1.00 2.35 H new ATOM 2160 N VAL A 196 -0.286 14.952 -7.563 1.00 0.00 N ATOM 2161 CA VAL A 196 0.942 15.230 -8.298 1.00 0.00 C ATOM 2162 C VAL A 196 1.564 16.552 -7.860 1.00 0.00 C ATOM 2163 O VAL A 196 2.785 16.708 -7.873 1.00 0.00 O ATOM 2164 CB VAL A 196 0.690 15.275 -9.818 1.00 0.01 C ATOM 2165 CG1 VAL A 196 2.001 15.148 -10.580 1.00 1.12 C ATOM 2166 CG2 VAL A 196 -0.282 14.181 -10.230 1.00 1.11 C ATOM 0 H VAL A 196 -1.142 15.140 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 196 1.632 14.416 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 196 0.244 16.238 -10.066 1.00 0.01 H new ATOM 0 HG11 VAL A 196 1.804 15.182 -11.651 1.00 1.12 H new ATOM 0 HG12 VAL A 196 2.662 15.971 -10.307 1.00 1.12 H new ATOM 0 HG13 VAL A 196 2.478 14.201 -10.328 1.00 1.12 H new ATOM 0 HG21 VAL A 196 -0.448 14.228 -11.306 1.00 1.11 H new ATOM 0 HG22 VAL A 196 0.134 13.208 -9.969 1.00 1.11 H new ATOM 0 HG23 VAL A 196 -1.230 14.322 -9.710 1.00 1.11 H new ATOM 2176 N GLU A 197 0.718 17.501 -7.474 1.00 0.00 N ATOM 2177 CA GLU A 197 1.189 18.808 -7.033 1.00 0.00 C ATOM 2178 C GLU A 197 2.032 18.684 -5.768 1.00 0.00 C ATOM 2179 O GLU A 197 2.979 19.443 -5.565 1.00 0.00 O ATOM 2180 CB GLU A 197 0.006 19.744 -6.782 1.00 0.00 C ATOM 2181 CG GLU A 197 0.128 21.082 -7.491 1.00 0.83 C ATOM 2182 CD GLU A 197 -1.173 21.861 -7.495 1.00 1.51 C ATOM 2183 OE1 GLU A 197 -1.760 22.040 -6.406 1.00 2.08 O ATOM 2184 OE2 GLU A 197 -1.605 22.291 -8.584 1.00 2.26 O ATOM 0 H GLU A 197 -0.296 17.390 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 197 1.812 19.227 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -0.911 19.252 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -0.088 19.918 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 197 0.902 21.677 -7.006 1.00 0.83 H new ATOM 0 HG3 GLU A 197 0.451 20.916 -8.519 1.00 0.83 H new ATOM 2191 N LEU A 198 1.681 17.722 -4.921 1.00 0.00 N ATOM 2192 CA LEU A 198 2.406 17.498 -3.676 1.00 0.00 C ATOM 2193 C LEU A 198 3.691 16.717 -3.930 1.00 0.00 C ATOM 2194 O LEU A 198 4.791 17.261 -3.822 1.00 0.00 O ATOM 2195 CB LEU A 198 1.526 16.745 -2.676 1.00 0.02 C ATOM 2196 CG LEU A 198 0.932 17.606 -1.559 1.00 0.89 C ATOM 2197 CD1 LEU A 198 -0.578 17.708 -1.709 1.00 1.97 C ATOM 2198 CD2 LEU A 198 1.298 17.036 -0.197 1.00 1.56 C ATOM 0 H LEU A 198 0.899 17.085 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 198 2.668 18.469 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 198 0.710 16.269 -3.220 1.00 0.02 H new ATOM 0 HB3 LEU A 198 2.116 15.948 -2.224 1.00 0.02 H new ATOM 0 HG LEU A 198 1.352 18.609 -1.636 1.00 0.89 H new ATOM 0 HD11 LEU A 198 -0.983 18.324 -0.906 1.00 1.97 H new ATOM 0 HD12 LEU A 198 -0.818 18.162 -2.671 1.00 1.97 H new ATOM 0 HD13 LEU A 198 -1.017 16.712 -1.658 1.00 1.97 H new ATOM 0 HD21 LEU A 198 0.868 17.660 0.586 1.00 1.56 H new ATOM 0 HD22 LEU A 198 0.906 16.023 -0.110 1.00 1.56 H new ATOM 0 HD23 LEU A 198 2.383 17.016 -0.090 1.00 1.56 H new ATOM 2210 N TYR A 199 3.546 15.440 -4.269 1.00 0.00 N ATOM 2211 CA TYR A 199 4.697 14.586 -4.541 1.00 0.00 C ATOM 2212 C TYR A 199 4.811 14.288 -6.032 1.00 0.00 C ATOM 2213 O TYR A 199 4.624 13.151 -6.464 1.00 0.00 O ATOM 2214 CB TYR A 199 4.587 13.278 -3.755 1.00 0.01 C ATOM 2215 CG TYR A 199 4.220 13.471 -2.301 1.00 0.31 C ATOM 2216 CD1 TYR A 199 5.115 14.049 -1.411 1.00 0.99 C ATOM 2217 CD2 TYR A 199 2.978 13.075 -1.821 1.00 0.86 C ATOM 2218 CE1 TYR A 199 4.783 14.228 -0.081 1.00 1.18 C ATOM 2219 CE2 TYR A 199 2.639 13.250 -0.492 1.00 1.00 C ATOM 2220 CZ TYR A 199 3.545 13.827 0.373 1.00 0.87 C ATOM 2221 OH TYR A 199 3.211 14.004 1.696 1.00 1.14 O ATOM 0 H TYR A 199 2.643 14.974 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 199 5.595 15.117 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 199 3.839 12.642 -4.228 1.00 0.01 H new ATOM 0 HB3 TYR A 199 5.538 12.748 -3.813 1.00 0.01 H new ATOM 0 HD1 TYR A 199 6.086 14.364 -1.763 1.00 0.99 H new ATOM 0 HD2 TYR A 199 2.266 12.624 -2.496 1.00 0.86 H new ATOM 0 HE1 TYR A 199 5.490 14.680 0.599 1.00 1.18 H new ATOM 0 HE2 TYR A 199 1.670 12.936 -0.133 1.00 1.00 H new ATOM 0 HH TYR A 199 2.303 13.669 1.852 1.00 1.14 H new ATOM 2231 N GLY A 200 5.118 15.318 -6.815 1.00 0.00 N ATOM 2232 CA GLY A 200 5.250 15.145 -8.250 1.00 0.00 C ATOM 2233 C GLY A 200 6.695 15.184 -8.709 1.00 0.00 C ATOM 2234 O GLY A 200 7.536 15.817 -8.070 1.00 0.00 O ATOM 0 H GLY A 200 5.278 16.269 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 200 4.805 14.193 -8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 200 4.689 15.928 -8.760 1.00 0.00 H new ATOM 2238 N PRO A 201 7.012 14.510 -9.824 1.00 0.00 N ATOM 2239 CA PRO A 201 8.374 14.473 -10.367 1.00 0.00 C ATOM 2240 C PRO A 201 8.967 15.867 -10.540 1.00 0.00 C ATOM 2241 O PRO A 201 8.184 16.834 -10.635 1.00 0.96 O ATOM 2242 CB PRO A 201 8.195 13.797 -11.728 1.00 0.01 C ATOM 2243 CG PRO A 201 6.959 12.978 -11.588 1.00 0.37 C ATOM 2244 CD PRO A 201 6.065 13.732 -10.641 1.00 0.01 C ATOM 2245 OXT PRO A 201 10.210 15.978 -10.578 1.00 0.96 O ATOM 0 HA PRO A 201 9.063 13.951 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 201 8.093 14.534 -12.525 1.00 0.01 H new ATOM 0 HB3 PRO A 201 9.055 13.175 -11.977 1.00 0.01 H new ATOM 0 HG2 PRO A 201 6.473 12.837 -12.554 1.00 0.37 H new ATOM 0 HG3 PRO A 201 7.190 11.986 -11.200 1.00 0.37 H new ATOM 0 HD2 PRO A 201 5.369 14.379 -11.175 1.00 0.01 H new ATOM 0 HD3 PRO A 201 5.467 13.057 -10.029 1.00 0.01 H new TER 2253 PRO A 201 HETATM 2254 C1 LI0 A1000 2.277 0.605 6.367 1.00 0.16 C HETATM 2255 C2 LI0 A1000 0.989 -0.117 5.982 1.00 0.14 C HETATM 2256 C3 LI0 A1000 0.035 0.949 5.445 1.00 0.13 C HETATM 2257 C4 LI0 A1000 -0.115 2.089 6.458 1.00 0.13 C HETATM 2258 N1 LI0 A1000 1.124 2.723 6.723 1.00 0.13 N HETATM 2259 C5 LI0 A1000 1.967 1.759 7.328 1.00 0.16 C HETATM 2260 C6 LI0 A1000 1.461 4.095 6.432 1.00 0.12 C HETATM 2261 C7 LI0 A1000 0.502 4.932 5.823 1.00 0.11 C HETATM 2262 C8 LI0 A1000 3.076 5.908 6.483 1.00 0.13 C HETATM 2263 C9 LI0 A1000 2.748 4.574 6.765 1.00 0.14 C HETATM 2264 C10 LI0 A1000 2.513 8.141 5.596 1.00 0.11 C HETATM 2265 O1 LI0 A1000 3.624 8.570 5.878 1.00 0.12 O HETATM 2266 N2 LI0 A1000 1.572 8.919 5.009 1.00 0.11 N HETATM 2267 S14 LI0 A1000 1.916 10.466 4.670 1.00 0.12 S HETATM 2268 C11 LI0 A1000 2.985 10.484 3.257 1.00 0.13 C HETATM 2269 C12 LI0 A1000 2.486 10.149 1.994 1.00 0.09 C HETATM 2270 C13 LI0 A1000 3.351 10.173 0.888 1.00 0.16 C HETATM 2271 C14 LI0 A1000 4.724 10.533 1.037 1.00 0.24 C HETATM 2272 C15 LI0 A1000 5.198 10.865 2.331 1.00 0.27 C HETATM 2273 C16 LI0 A1000 4.329 10.839 3.427 1.00 0.23 C HETATM 2274 O2 LI0 A1000 2.623 11.009 5.792 1.00 0.18 O HETATM 2275 O3 LI0 A1000 0.666 11.053 4.300 1.00 0.13 O HETATM 2276 N3 LI0 A1000 2.795 9.812 -0.439 1.00 0.18 N HETATM 2277 O24 LI0 A1000 1.607 9.524 -0.443 1.00 0.17 O HETATM 2278 O4 LI0 A1000 3.521 9.822 -1.417 1.00 0.25 O HETATM 2279 N4 LI0 A1000 5.613 10.546 -0.114 1.00 0.31 N HETATM 2280 C17 LI0 A1000 7.064 10.852 -0.179 1.00 0.41 C HETATM 2281 C18 LI0 A1000 7.917 9.892 0.669 1.00 0.42 C HETATM 2282 S1 LI0 A1000 7.766 8.134 0.277 1.00 0.33 S HETATM 2283 C19 LI0 A1000 5.243 7.231 0.911 1.00 0.13 C HETATM 2284 C20 LI0 A1000 6.495 7.649 1.415 1.00 0.26 C HETATM 2285 C21 LI0 A1000 6.749 7.688 2.803 1.00 0.35 C HETATM 2286 C22 LI0 A1000 5.735 7.303 3.701 1.00 0.34 C HETATM 2287 C23 LI0 A1000 4.488 6.885 3.192 1.00 0.24 C HETATM 2288 C24 LI0 A1000 4.230 6.846 1.809 1.00 0.13 C HETATM 2289 C25 LI0 A1000 7.313 12.326 0.233 1.00 0.49 C HETATM 2290 C26 LI0 A1000 7.479 10.705 -1.655 1.00 0.46 C HETATM 2291 C27 LI0 A1000 0.833 6.267 5.541 1.00 0.10 C HETATM 2292 C28 LI0 A1000 2.121 6.747 5.873 1.00 0.11 C HETATM 2293 O5 LI0 A1000 0.376 -0.801 7.223 1.00 0.15 O HETATM 2294 C29 LI0 A1000 1.186 -1.918 7.598 1.00 0.14 C HETATM 2295 C30 LI0 A1000 1.268 -1.180 4.905 1.00 0.16 C HETATM 2296 C31 LI0 A1000 -2.467 -2.504 3.139 1.00 0.27 C HETATM 2297 C32 LI0 A1000 -1.515 -1.844 2.353 1.00 0.26 C HETATM 2298 C33 LI0 A1000 -0.311 -1.416 2.921 1.00 0.22 C HETATM 2299 C34 LI0 A1000 -0.057 -1.649 4.279 1.00 0.17 C HETATM 2300 C35 LI0 A1000 -1.009 -2.310 5.066 1.00 0.19 C HETATM 2301 C36 LI0 A1000 -2.213 -2.738 4.496 1.00 0.24 C HETATM 0 H32A LI0 A1000 0.412 1.341 4.500 1.00 0.13 H new HETATM 0 H31A LI0 A1000 -0.939 0.505 5.240 1.00 0.13 H new HETATM 0 H302 LI0 A1000 1.919 -0.768 4.134 1.00 0.16 H new HETATM 0 H301 LI0 A1000 1.793 -2.028 5.345 1.00 0.16 H new HETATM 0 H293 LI0 A1000 1.228 -2.630 6.774 1.00 0.14 H new HETATM 0 H292 LI0 A1000 2.194 -1.574 7.832 1.00 0.14 H new HETATM 0 H291 LI0 A1000 0.755 -2.402 8.474 1.00 0.14 H new HETATM 0 H263 LI0 A1000 7.282 9.686 -1.989 1.00 0.46 H new HETATM 0 H262 LI0 A1000 6.907 11.404 -2.265 1.00 0.46 H new HETATM 0 H261 LI0 A1000 8.543 10.921 -1.757 1.00 0.46 H new HETATM 0 H253 LI0 A1000 6.776 12.989 -0.445 1.00 0.49 H new HETATM 0 H252 LI0 A1000 6.958 12.484 1.252 1.00 0.49 H new HETATM 0 H251 LI0 A1000 8.380 12.543 0.183 1.00 0.49 H new HETATM 0 H182 LI0 A1000 8.963 10.178 0.563 1.00 0.42 H new HETATM 0 H181 LI0 A1000 7.653 10.033 1.717 1.00 0.42 H new HETATM 0 H12A LI0 A1000 2.968 -0.094 6.837 1.00 0.16 H new HETATM 0 HN4 LI0 A1000 5.176 10.311 -1.005 1.00 0.31 H new HETATM 0 HN2 LI0 A1000 0.655 8.534 4.782 1.00 0.11 H new HETATM 0 H9 LI0 A1000 3.477 3.914 7.235 1.00 0.14 H new HETATM 0 H8 LI0 A1000 4.064 6.294 6.734 1.00 0.13 H new HETATM 0 H7 LI0 A1000 -0.486 4.546 5.574 1.00 0.11 H new HETATM 0 H52 LI0 A1000 1.489 1.368 8.226 1.00 0.16 H new HETATM 0 H51 LI0 A1000 2.897 2.233 7.642 1.00 0.16 H new HETATM 0 H42 LI0 A1000 -0.825 2.823 6.077 1.00 0.13 H new HETATM 0 H41 LI0 A1000 -0.529 1.698 7.387 1.00 0.13 H new HETATM 0 H36 LI0 A1000 -2.953 -3.253 5.108 1.00 0.24 H new HETATM 0 H35 LI0 A1000 -0.812 -2.491 6.123 1.00 0.19 H new HETATM 0 H33 LI0 A1000 0.429 -0.902 2.308 1.00 0.22 H new HETATM 0 H32 LI0 A1000 -1.713 -1.663 1.296 1.00 0.26 H new HETATM 0 H31 LI0 A1000 -3.406 -2.836 2.695 1.00 0.27 H new HETATM 0 H27 LI0 A1000 0.104 6.927 5.071 1.00 0.10 H new HETATM 0 H24 LI0 A1000 3.258 6.522 1.438 1.00 0.13 H new HETATM 0 H23 LI0 A1000 3.704 6.585 3.887 1.00 0.24 H new HETATM 0 H22 LI0 A1000 5.912 7.328 4.776 1.00 0.34 H new HETATM 0 H21 LI0 A1000 7.720 8.013 3.176 1.00 0.35 H new HETATM 0 H19 LI0 A1000 5.063 7.207 -0.164 1.00 0.13 H new HETATM 0 H16 LI0 A1000 4.700 11.097 4.419 1.00 0.23 H new HETATM 0 H15 LI0 A1000 6.243 11.141 2.473 1.00 0.27 H new HETATM 0 H12 LI0 A1000 1.439 9.873 1.870 1.00 0.09 H new HETATM 0 H11 LI0 A1000 2.770 0.988 5.473 1.00 0.16 H new CONECT 2254 2255 2259 2302 2303 CONECT 2255 2254 2256 2293 2295 CONECT 2256 2255 2257 2304 2305 CONECT 2257 2256 2258 2306 2307 CONECT 2258 2257 2259 2260 CONECT 2259 2254 2258 2308 2309 CONECT 2260 2258 2261 2263 CONECT 2261 2260 2291 2310 CONECT 2262 2263 2292 2311 CONECT 2263 2260 2262 2312 CONECT 2264 2265 2266 2292 CONECT 2265 2264 CONECT 2266 2264 2267 2313 CONECT 2267 2266 2268 2274 2275 CONECT 2268 2267 2269 2273 CONECT 2269 2268 2270 2314 CONECT 2270 2269 2271 2276 CONECT 2271 2270 2272 2279 CONECT 2272 2271 2273 2315 CONECT 2273 2268 2272 2316 CONECT 2274 2267 CONECT 2275 2267 CONECT 2276 2270 2277 2278 CONECT 2277 2276 CONECT 2278 2276 CONECT 2279 2271 2280 2317 CONECT 2280 2279 2281 2289 2290 CONECT 2281 2280 2282 2318 2319 CONECT 2282 2281 2284 CONECT 2283 2284 2288 2320 CONECT 2284 2282 2283 2285 CONECT 2285 2284 2286 2321 CONECT 2286 2285 2287 2322 CONECT 2287 2286 2288 2323 CONECT 2288 2283 2287 2324 CONECT 2289 2280 2325 2326 2327 CONECT 2290 2280 2328 2329 2330 CONECT 2291 2261 2292 2331 CONECT 2292 2262 2264 2291 CONECT 2293 2255 2294 CONECT 2294 2293 2332 2333 2334 CONECT 2295 2255 2299 2335 2336 CONECT 2296 2297 2301 2337 CONECT 2297 2296 2298 2338 CONECT 2298 2297 2299 2339 CONECT 2299 2295 2298 2300 CONECT 2300 2299 2301 2340 CONECT 2301 2296 2300 2341 CONECT 2302 2254 CONECT 2303 2254 CONECT 2304 2256 CONECT 2305 2256 CONECT 2306 2257 CONECT 2307 2257 CONECT 2308 2259 CONECT 2309 2259 CONECT 2310 2261 CONECT 2311 2262 CONECT 2312 2263 CONECT 2313 2266 CONECT 2314 2269 CONECT 2315 2272 CONECT 2316 2273 CONECT 2317 2279 CONECT 2318 2281 CONECT 2319 2281 CONECT 2320 2283 CONECT 2321 2285 CONECT 2322 2286 CONECT 2323 2287 CONECT 2324 2288 CONECT 2325 2289 CONECT 2326 2289 CONECT 2327 2289 CONECT 2328 2290 CONECT 2329 2290 CONECT 2330 2290 CONECT 2331 2291 CONECT 2332 2294 CONECT 2333 2294 CONECT 2334 2294 CONECT 2335 2295 CONECT 2336 2295 CONECT 2337 2296 CONECT 2338 2297 CONECT 2339 2298 CONECT 2340 2300 CONECT 2341 2301 END