USER MOD reduce.3.24.130724 H: found=0, std=0, add=1303, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1297 hydrogens (36 hets) HEADER APOPTOSIS 29-NOV-06 2O22 TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH TITLE 2 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 EXPDTA SOLUTION NMR AUTHOR M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER,D.MARTINEAU, AUTHOR 2 W.J.MCCLELLAN,M.MITTEN,S.C.NG,P.M.NIMMER,T.OLTERSDORF,C.M.PARK, AUTHOR 3 A.M.PETROS,A.R.SHOEMAKER,X.SONG,X.WANG,M.D.WENDT,H.ZHANG,S.W.FESIK, AUTHOR 4 S.H.ROSENBERG,S.W.ELMORE REVDAT 3 22-DEC-10 2O22 1 REMARK REVDAT 2 24-FEB-09 2O22 1 VERSN REVDAT 1 27-FEB-07 2O22 0 JRNL AUTH M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER, JRNL AUTH 2 D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG,P.M.NIMMER, JRNL AUTH 3 T.OLTERSDORF,C.M.PARK,A.M.PETROS,A.R.SHOEMAKER,X.SONG, JRNL AUTH 4 X.WANG,M.D.WENDT,H.ZHANG,S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE JRNL TITL STUDIES LEADING TO POTENT, DUAL INHIBITORS OF BCL-2 AND JRNL TITL 2 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 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 2O22 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 RCSB040588. 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 : 25 MM TRIS BUFFER; 150 MM SODIUM REMARK 210 CHLORIDE; 90% H2O, 10% 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HA3 GLY A 142 HN17 LIU A 1000 1.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 2 73.08 178.15 REMARK 500 ARG A 4 31.28 -144.90 REMARK 500 GLU A 27 91.64 -54.94 REMARK 500 GLU A 36 83.95 47.48 REMARK 500 ARG A 38 57.77 -107.98 REMARK 500 THR A 39 -78.50 -50.38 REMARK 500 ALA A 41 150.90 68.51 REMARK 500 GLU A 46 -72.62 -53.54 REMARK 500 ASP A 108 -70.76 -174.72 REMARK 500 HIS A 117 172.01 60.14 REMARK 500 THR A 119 134.85 177.71 REMARK 500 ASP A 137 -61.58 -106.66 REMARK 500 ARG A 161 -74.73 -87.96 REMARK 500 GLU A 162 61.61 -178.48 REMARK 500 MET A 163 44.92 -150.06 REMARK 500 HIS A 181 -55.08 -127.97 REMARK 500 ASN A 189 52.47 -111.10 REMARK 500 TYR A 199 53.88 -107.07 REMARK 500 PRO A 201 158.75 -44.22 REMARK 500 SER A 202 98.81 -47.14 REMARK 500 MET A 203 -78.20 83.27 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 LIU A 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2O1Y RELATED DB: PDB REMARK 900 RELATED ID: 2O21 RELATED DB: PDB DBREF 2O22 A 1 32 UNP P10415 BCL2_HUMAN 3 34 DBREF 2O22 A 33 48 UNP Q07817 BCLX_HUMAN 29 44 DBREF 2O22 A 89 204 UNP P10415 BCL2_HUMAN 92 207 SEQRES 1 A 164 HIS ALA GLY ARG THR GLY TYR ASP ASN ARG GLU ILE VAL SEQRES 2 A 164 MET LYS TYR ILE HIS TYR LYS LEU SER GLN ARG GLY TYR SEQRES 3 A 164 GLU TRP ASP ALA GLY ASP ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 164 GLU ALA PRO GLU GLY THR GLU SER GLU VAL VAL HIS LEU SEQRES 5 A 164 THR LEU ARG GLN ALA GLY ASP ASP PHE SER ARG ARG TYR SEQRES 6 A 164 ARG ARG ASP PHE ALA GLU MET SER SER GLN LEU HIS LEU SEQRES 7 A 164 THR PRO PHE THR ALA ARG GLY ARG PHE ALA THR VAL VAL SEQRES 8 A 164 GLU GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 164 VAL ALA PHE PHE GLU PHE GLY GLY VAL MET CYS VAL GLU SEQRES 10 A 164 SER VAL ASN ARG GLU MET SER PRO LEU VAL ASP ASN ILE SEQRES 11 A 164 ALA LEU TRP MET THR GLU TYR LEU ASN ARG HIS LEU HIS SEQRES 12 A 164 THR TRP ILE GLN ASP ASN GLY GLY TRP ASP ALA PHE VAL SEQRES 13 A 164 GLU LEU TYR GLY PRO SER MET ARG HET LIU A1000 77 HETNAM LIU N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3- HETNAM 2 LIU NITROPHENYL)SULFONYL]-4-(4,4-DIMETHYLPIPERIDIN-1-YL) HETNAM 3 LIU BENZAMIDE FORMUL 2 LIU C30 H36 N4 O5 S2 HELIX 1 1 ASP A 8 GLN A 23 1 16 HELIX 2 2 GLY A 44 TYR A 105 1 22 HELIX 3 3 ASP A 108 HIS A 117 1 10 HELIX 4 4 THR A 119 PHE A 135 1 17 HELIX 5 5 ASN A 140 GLU A 162 1 23 HELIX 6 6 PRO A 165 ASN A 189 1 25 HELIX 7 7 GLY A 191 TYR A 199 1 9 SITE *** AC1 10 ALA A 97 PHE A 101 TYR A 105 ASP A 108 SITE *** AC1 10 TRP A 141 GLY A 142 VAL A 145 ALA A 146 SITE *** AC1 10 PHE A 195 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 154 MET CE :methyl -168:sc= -2.15 (180deg=-2.53) USER MOD Set 1.2: A 174 MET CE :methyl -136:sc= -1.24 (180deg=-7.31!) USER MOD Set 2.1: A 119 THR OG1 : rot 180:sc= -0.427 USER MOD Set 2.2: A 122 THR OG1 : rot 180:sc= 0.0304 USER MOD Set 3.1: A 37 ASN : amide:sc= 0.18 X(o=0.38,f=-0.0018) USER MOD Set 3.2: A 39 THR OG1 : rot 68:sc= 0.195 USER MOD Set 4.1: A 14 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 4.2: A 18 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-6.5!) USER MOD Single : A 1 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -12:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -4.24! C(o=-4.2!,f=-6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 129:sc= -0.304 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 137:sc= -0.385 (180deg=-2.69!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00147 X(o=-0.0015,f=-0.075) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.636 USER MOD Single : A 91 HIS : no HD1:sc= 0.0337 K(o=0.034,f=-1.9) USER MOD Single : A 93 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 96 GLN : amide:sc= -0.881 K(o=-0.88,f=-5.2!) USER MOD Single : A 102 SER OG : rot -61:sc= 0.0975 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -163:sc= -1.54 (180deg=-2.75!) 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= -1.04 K(o=-1,f=-4.2!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.096 USER MOD Single : A 140 ASN : amide:sc= -0.923 X(o=-0.92,f=-1.2!) USER MOD Single : A 155 CYS SG : rot -68:sc= -0.917 USER MOD Single : A 158 SER OG : rot 120:sc= -0.973 USER MOD Single : A 160 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 MET CE :methyl -135:sc= -0.707 (180deg=-1.53!) USER MOD Single : A 164 SER OG : rot 180:sc= -0.407 USER MOD Single : A 169 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 175 THR OG1 : rot -20:sc= 1.25 USER MOD Single : A 177 TYR OH : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.2) USER MOD Single : A 181 HIS : no HE2:sc= -17.5! C(o=-18!,f=-21!) USER MOD Single : A 183 HIS : no HD1:sc= -0.615 K(o=-0.62,f=-1.9) USER MOD Single : A 184 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 187 GLN :FLIP amide:sc= -1.47 F(o=-2,f=-1.5) USER MOD Single : A 189 ASN : amide:sc= -0.0273 K(o=-0.027,f=-0.89) USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 SER OG : rot 37:sc= 0.632 USER MOD Single : A 203 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -21.171 17.489 -13.500 1.00 9.43 N ATOM 2 CA HIS A 1 -19.854 18.122 -13.224 1.00 8.75 C ATOM 3 C HIS A 1 -18.910 17.148 -12.527 1.00 7.90 C ATOM 4 O HIS A 1 -19.240 16.589 -11.481 1.00 8.06 O ATOM 5 CB HIS A 1 -20.080 19.356 -12.348 1.00 9.00 C ATOM 6 CG HIS A 1 -19.072 20.441 -12.573 1.00 9.67 C ATOM 7 ND1 HIS A 1 -17.755 20.190 -12.892 1.00 10.29 N ATOM 8 CD2 HIS A 1 -19.195 21.788 -12.523 1.00 10.04 C ATOM 9 CE1 HIS A 1 -17.111 21.336 -13.027 1.00 10.95 C ATOM 10 NE2 HIS A 1 -17.963 22.320 -12.810 1.00 10.82 N ATOM 0 H1 HIS A 1 -21.793 18.174 -13.974 1.00 9.43 H new ATOM 0 H2 HIS A 1 -21.036 16.661 -14.114 1.00 9.43 H new ATOM 0 H3 HIS A 1 -21.606 17.189 -12.605 1.00 9.43 H new ATOM 0 HA HIS A 1 -19.391 18.410 -14.168 1.00 8.75 H new ATOM 0 HB2 HIS A 1 -21.077 19.751 -12.541 1.00 9.00 H new ATOM 0 HB3 HIS A 1 -20.053 19.058 -11.300 1.00 9.00 H new ATOM 0 HD2 HIS A 1 -20.095 22.341 -12.299 1.00 10.04 H new ATOM 0 HE1 HIS A 1 -16.065 21.448 -13.273 1.00 10.95 H new ATOM 0 HE2 HIS A 1 -17.742 23.315 -12.849 1.00 10.82 H new ATOM 20 N ALA A 2 -17.734 16.948 -13.114 1.00 7.25 N ATOM 21 CA ALA A 2 -16.743 16.041 -12.548 1.00 6.65 C ATOM 22 C ALA A 2 -15.505 15.957 -13.435 1.00 5.95 C ATOM 23 O ALA A 2 -15.281 14.953 -14.111 1.00 6.36 O ATOM 24 CB ALA A 2 -17.346 14.659 -12.348 1.00 6.91 C ATOM 0 H ALA A 2 -17.445 17.402 -13.981 1.00 7.25 H new ATOM 0 HA ALA A 2 -16.437 16.436 -11.579 1.00 6.65 H new ATOM 0 HB1 ALA A 2 -16.595 13.992 -11.925 1.00 6.91 H new ATOM 0 HB2 ALA A 2 -18.195 14.727 -11.668 1.00 6.91 H new ATOM 0 HB3 ALA A 2 -17.681 14.266 -13.308 1.00 6.91 H new ATOM 30 N GLY A 3 -14.705 17.018 -13.426 1.00 5.22 N ATOM 31 CA GLY A 3 -13.499 17.043 -14.234 1.00 4.87 C ATOM 32 C GLY A 3 -13.752 16.620 -15.668 1.00 4.11 C ATOM 33 O GLY A 3 -14.900 16.507 -16.096 1.00 4.13 O ATOM 0 H GLY A 3 -14.870 17.860 -12.875 1.00 5.22 H new ATOM 0 HA2 GLY A 3 -13.080 18.049 -14.224 1.00 4.87 H new ATOM 0 HA3 GLY A 3 -12.754 16.383 -13.790 1.00 4.87 H new ATOM 37 N ARG A 4 -12.675 16.383 -16.411 1.00 3.87 N ATOM 38 CA ARG A 4 -12.785 15.969 -17.805 1.00 3.47 C ATOM 39 C ARG A 4 -11.675 14.989 -18.171 1.00 2.89 C ATOM 40 O ARG A 4 -11.219 14.952 -19.313 1.00 3.10 O ATOM 41 CB ARG A 4 -12.730 17.188 -18.727 1.00 4.21 C ATOM 42 CG ARG A 4 -13.722 17.128 -19.877 1.00 4.92 C ATOM 43 CD ARG A 4 -13.035 16.788 -21.189 1.00 5.56 C ATOM 44 NE ARG A 4 -12.325 17.936 -21.748 1.00 6.18 N ATOM 45 CZ ARG A 4 -12.930 19.014 -22.245 1.00 6.90 C ATOM 46 NH1 ARG A 4 -14.255 19.101 -22.253 1.00 7.18 N ATOM 47 NH2 ARG A 4 -12.205 20.011 -22.734 1.00 7.61 N ATOM 0 H ARG A 4 -11.717 16.471 -16.071 1.00 3.87 H new ATOM 0 HA ARG A 4 -13.744 15.468 -17.934 1.00 3.47 H new ATOM 0 HB2 ARG A 4 -12.922 18.086 -18.140 1.00 4.21 H new ATOM 0 HB3 ARG A 4 -11.722 17.281 -19.132 1.00 4.21 H new ATOM 0 HG2 ARG A 4 -14.486 16.381 -19.661 1.00 4.92 H new ATOM 0 HG3 ARG A 4 -14.231 18.087 -19.970 1.00 4.92 H new ATOM 0 HD2 ARG A 4 -12.333 15.970 -21.029 1.00 5.56 H new ATOM 0 HD3 ARG A 4 -13.777 16.436 -21.906 1.00 5.56 H new ATOM 0 HE ARG A 4 -11.305 17.911 -21.758 1.00 6.18 H new ATOM 0 HH11 ARG A 4 -14.818 18.339 -21.877 1.00 7.18 H new ATOM 0 HH12 ARG A 4 -14.709 19.930 -22.636 1.00 7.18 H new ATOM 0 HH21 ARG A 4 -11.187 19.951 -22.729 1.00 7.61 H new ATOM 0 HH22 ARG A 4 -12.666 20.837 -23.115 1.00 7.61 H new ATOM 61 N THR A 5 -11.244 14.198 -17.193 1.00 2.72 N ATOM 62 CA THR A 5 -10.187 13.219 -17.414 1.00 2.54 C ATOM 63 C THR A 5 -10.765 11.816 -17.563 1.00 2.39 C ATOM 64 O THR A 5 -10.437 11.095 -18.505 1.00 3.05 O ATOM 65 CB THR A 5 -9.184 13.250 -16.260 1.00 2.98 C ATOM 66 OG1 THR A 5 -8.726 14.571 -16.031 1.00 3.66 O ATOM 67 CG2 THR A 5 -7.970 12.379 -16.498 1.00 3.57 C ATOM 0 H THR A 5 -11.610 14.216 -16.241 1.00 2.72 H new ATOM 0 HA THR A 5 -9.674 13.480 -18.339 1.00 2.54 H new ATOM 0 HB THR A 5 -9.725 12.863 -15.396 1.00 2.98 H new ATOM 0 HG1 THR A 5 -9.005 15.147 -16.773 1.00 3.66 H new ATOM 0 HG21 THR A 5 -7.300 12.447 -15.641 1.00 3.57 H new ATOM 0 HG22 THR A 5 -8.285 11.344 -16.631 1.00 3.57 H new ATOM 0 HG23 THR A 5 -7.449 12.717 -17.394 1.00 3.57 H new ATOM 75 N GLY A 6 -11.624 11.434 -16.624 1.00 2.11 N ATOM 76 CA GLY A 6 -12.233 10.117 -16.668 1.00 2.26 C ATOM 77 C GLY A 6 -11.541 9.129 -15.751 1.00 1.66 C ATOM 78 O GLY A 6 -11.438 7.944 -16.069 1.00 2.05 O ATOM 0 H GLY A 6 -11.909 12.012 -15.834 1.00 2.11 H new ATOM 0 HA2 GLY A 6 -13.283 10.196 -16.386 1.00 2.26 H new ATOM 0 HA3 GLY A 6 -12.205 9.741 -17.691 1.00 2.26 H new ATOM 82 N TYR A 7 -11.066 9.618 -14.611 1.00 1.35 N ATOM 83 CA TYR A 7 -10.378 8.773 -13.642 1.00 0.88 C ATOM 84 C TYR A 7 -11.195 7.524 -13.329 1.00 0.93 C ATOM 85 O TYR A 7 -12.420 7.581 -13.221 1.00 1.80 O ATOM 86 CB TYR A 7 -10.111 9.554 -12.355 1.00 0.93 C ATOM 87 CG TYR A 7 -11.310 10.332 -11.860 1.00 0.79 C ATOM 88 CD1 TYR A 7 -12.272 9.727 -11.060 1.00 1.14 C ATOM 89 CD2 TYR A 7 -11.481 11.669 -12.193 1.00 1.52 C ATOM 90 CE1 TYR A 7 -13.370 10.433 -10.607 1.00 1.16 C ATOM 91 CE2 TYR A 7 -12.575 12.383 -11.743 1.00 1.47 C ATOM 92 CZ TYR A 7 -13.517 11.761 -10.951 1.00 0.70 C ATOM 93 OH TYR A 7 -14.608 12.468 -10.500 1.00 0.76 O ATOM 0 H TYR A 7 -11.145 10.597 -14.335 1.00 1.35 H new ATOM 0 HA TYR A 7 -9.428 8.464 -14.078 1.00 0.88 H new ATOM 0 HB2 TYR A 7 -9.793 8.859 -11.578 1.00 0.93 H new ATOM 0 HB3 TYR A 7 -9.285 10.244 -12.523 1.00 0.93 H new ATOM 0 HD1 TYR A 7 -12.160 8.688 -10.788 1.00 1.14 H new ATOM 0 HD2 TYR A 7 -10.746 12.159 -12.814 1.00 1.52 H new ATOM 0 HE1 TYR A 7 -14.109 9.948 -9.987 1.00 1.16 H new ATOM 0 HE2 TYR A 7 -12.692 13.423 -12.010 1.00 1.47 H new ATOM 0 HH TYR A 7 -14.560 13.389 -10.831 1.00 0.76 H new ATOM 103 N ASP A 8 -10.507 6.398 -13.180 1.00 0.49 N ATOM 104 CA ASP A 8 -11.163 5.134 -12.874 1.00 0.47 C ATOM 105 C ASP A 8 -10.279 4.268 -11.985 1.00 0.40 C ATOM 106 O ASP A 8 -9.192 3.856 -12.388 1.00 0.38 O ATOM 107 CB ASP A 8 -11.501 4.383 -14.163 1.00 0.57 C ATOM 108 CG ASP A 8 -11.490 5.289 -15.379 1.00 1.10 C ATOM 109 OD1 ASP A 8 -10.393 5.543 -15.921 1.00 1.60 O ATOM 110 OD2 ASP A 8 -12.578 5.744 -15.791 1.00 1.91 O ATOM 0 H ASP A 8 -9.493 6.335 -13.267 1.00 0.49 H new ATOM 0 HA ASP A 8 -12.087 5.353 -12.338 1.00 0.47 H new ATOM 0 HB2 ASP A 8 -10.784 3.575 -14.309 1.00 0.57 H new ATOM 0 HB3 ASP A 8 -12.484 3.923 -14.065 1.00 0.57 H new ATOM 115 N ASN A 9 -10.752 3.999 -10.772 1.00 0.43 N ATOM 116 CA ASN A 9 -10.003 3.178 -9.825 1.00 0.46 C ATOM 117 C ASN A 9 -9.510 1.902 -10.499 1.00 0.42 C ATOM 118 O ASN A 9 -8.415 1.416 -10.217 1.00 0.48 O ATOM 119 CB ASN A 9 -10.873 2.827 -8.613 1.00 0.58 C ATOM 120 CG ASN A 9 -11.615 4.029 -8.063 1.00 1.29 C ATOM 121 OD1 ASN A 9 -11.031 4.886 -7.400 1.00 2.25 O ATOM 122 ND2 ASN A 9 -12.913 4.098 -8.339 1.00 1.67 N ATOM 0 H ASN A 9 -11.649 4.336 -10.422 1.00 0.43 H new ATOM 0 HA ASN A 9 -9.141 3.751 -9.484 1.00 0.46 H new ATOM 0 HB2 ASN A 9 -11.592 2.059 -8.897 1.00 0.58 H new ATOM 0 HB3 ASN A 9 -10.245 2.402 -7.830 1.00 0.58 H new ATOM 0 HD21 ASN A 9 -13.466 4.884 -7.997 1.00 1.67 H new ATOM 0 HD22 ASN A 9 -13.356 3.365 -8.892 1.00 1.67 H new ATOM 129 N ARG A 10 -10.332 1.370 -11.396 1.00 0.39 N ATOM 130 CA ARG A 10 -9.999 0.152 -12.127 1.00 0.38 C ATOM 131 C ARG A 10 -8.785 0.352 -13.029 1.00 0.35 C ATOM 132 O ARG A 10 -7.906 -0.507 -13.097 1.00 0.33 O ATOM 133 CB ARG A 10 -11.195 -0.314 -12.963 1.00 0.45 C ATOM 134 CG ARG A 10 -11.880 0.799 -13.742 1.00 1.12 C ATOM 135 CD ARG A 10 -11.827 0.544 -15.239 1.00 1.47 C ATOM 136 NE ARG A 10 -12.250 1.713 -16.008 1.00 1.97 N ATOM 137 CZ ARG A 10 -13.506 2.153 -16.065 1.00 2.52 C ATOM 138 NH1 ARG A 10 -14.474 1.519 -15.412 1.00 2.83 N ATOM 139 NH2 ARG A 10 -13.798 3.228 -16.783 1.00 3.25 N ATOM 0 H ARG A 10 -11.241 1.766 -11.636 1.00 0.39 H new ATOM 0 HA ARG A 10 -9.752 -0.613 -11.391 1.00 0.38 H new ATOM 0 HB2 ARG A 10 -10.859 -1.079 -13.663 1.00 0.45 H new ATOM 0 HB3 ARG A 10 -11.925 -0.783 -12.303 1.00 0.45 H new ATOM 0 HG2 ARG A 10 -12.919 0.882 -13.422 1.00 1.12 H new ATOM 0 HG3 ARG A 10 -11.400 1.751 -13.517 1.00 1.12 H new ATOM 0 HD2 ARG A 10 -10.811 0.270 -15.525 1.00 1.47 H new ATOM 0 HD3 ARG A 10 -12.467 -0.303 -15.486 1.00 1.47 H new ATOM 0 HE ARG A 10 -11.540 2.223 -16.533 1.00 1.97 H new ATOM 0 HH11 ARG A 10 -14.258 0.688 -14.861 1.00 2.83 H new ATOM 0 HH12 ARG A 10 -15.433 1.863 -15.461 1.00 2.83 H new ATOM 0 HH21 ARG A 10 -13.061 3.717 -17.291 1.00 3.25 H new ATOM 0 HH22 ARG A 10 -14.759 3.566 -16.827 1.00 3.25 H new ATOM 153 N GLU A 11 -8.741 1.482 -13.725 1.00 0.38 N ATOM 154 CA GLU A 11 -7.633 1.776 -14.625 1.00 0.40 C ATOM 155 C GLU A 11 -6.377 2.161 -13.849 1.00 0.37 C ATOM 156 O GLU A 11 -5.261 1.861 -14.273 1.00 0.41 O ATOM 157 CB GLU A 11 -8.016 2.903 -15.586 1.00 0.47 C ATOM 158 CG GLU A 11 -7.060 3.054 -16.757 1.00 1.11 C ATOM 159 CD GLU A 11 -6.461 4.445 -16.844 1.00 1.78 C ATOM 160 OE1 GLU A 11 -5.881 4.906 -15.839 1.00 2.44 O ATOM 161 OE2 GLU A 11 -6.574 5.073 -17.917 1.00 2.39 O ATOM 0 H GLU A 11 -9.457 2.207 -13.684 1.00 0.38 H new ATOM 0 HA GLU A 11 -7.418 0.873 -15.196 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -9.020 2.718 -15.969 1.00 0.47 H new ATOM 0 HB3 GLU A 11 -8.053 3.843 -15.035 1.00 0.47 H new ATOM 0 HG2 GLU A 11 -6.258 2.322 -16.663 1.00 1.11 H new ATOM 0 HG3 GLU A 11 -7.588 2.831 -17.684 1.00 1.11 H new ATOM 168 N ILE A 12 -6.563 2.831 -12.717 1.00 0.35 N ATOM 169 CA ILE A 12 -5.438 3.259 -11.895 1.00 0.34 C ATOM 170 C ILE A 12 -4.687 2.063 -11.320 1.00 0.30 C ATOM 171 O ILE A 12 -3.456 2.035 -11.322 1.00 0.37 O ATOM 172 CB ILE A 12 -5.894 4.201 -10.755 1.00 0.33 C ATOM 173 CG1 ILE A 12 -4.940 5.390 -10.638 1.00 0.39 C ATOM 174 CG2 ILE A 12 -5.989 3.463 -9.427 1.00 0.32 C ATOM 175 CD1 ILE A 12 -3.496 4.989 -10.422 1.00 0.81 C ATOM 0 H ILE A 12 -7.479 3.089 -12.349 1.00 0.35 H new ATOM 0 HA ILE A 12 -4.760 3.813 -12.544 1.00 0.34 H new ATOM 0 HB ILE A 12 -6.890 4.568 -11.002 1.00 0.33 H new ATOM 0 HG12 ILE A 12 -5.010 5.992 -11.544 1.00 0.39 H new ATOM 0 HG13 ILE A 12 -5.261 6.022 -9.810 1.00 0.39 H new ATOM 0 HG21 ILE A 12 -6.312 4.155 -8.649 1.00 0.32 H new ATOM 0 HG22 ILE A 12 -6.711 2.651 -9.513 1.00 0.32 H new ATOM 0 HG23 ILE A 12 -5.012 3.054 -9.167 1.00 0.32 H new ATOM 0 HD11 ILE A 12 -2.877 5.883 -10.348 1.00 0.81 H new ATOM 0 HD12 ILE A 12 -3.412 4.413 -9.501 1.00 0.81 H new ATOM 0 HD13 ILE A 12 -3.158 4.382 -11.262 1.00 0.81 H new ATOM 187 N VAL A 13 -5.429 1.072 -10.839 1.00 0.25 N ATOM 188 CA VAL A 13 -4.822 -0.127 -10.277 1.00 0.24 C ATOM 189 C VAL A 13 -4.255 -1.004 -11.387 1.00 0.24 C ATOM 190 O VAL A 13 -3.232 -1.666 -11.212 1.00 0.26 O ATOM 191 CB VAL A 13 -5.839 -0.944 -9.456 1.00 0.26 C ATOM 192 CG1 VAL A 13 -5.186 -2.193 -8.884 1.00 0.33 C ATOM 193 CG2 VAL A 13 -6.436 -0.091 -8.348 1.00 0.30 C ATOM 0 H VAL A 13 -6.449 1.076 -10.827 1.00 0.25 H new ATOM 0 HA VAL A 13 -4.019 0.195 -9.614 1.00 0.24 H new ATOM 0 HB VAL A 13 -6.646 -1.257 -10.119 1.00 0.26 H new ATOM 0 HG11 VAL A 13 -5.920 -2.756 -8.308 1.00 0.33 H new ATOM 0 HG12 VAL A 13 -4.811 -2.813 -9.698 1.00 0.33 H new ATOM 0 HG13 VAL A 13 -4.358 -1.906 -8.235 1.00 0.33 H new ATOM 0 HG21 VAL A 13 -7.152 -0.684 -7.778 1.00 0.30 H new ATOM 0 HG22 VAL A 13 -5.642 0.253 -7.686 1.00 0.30 H new ATOM 0 HG23 VAL A 13 -6.943 0.770 -8.784 1.00 0.30 H new ATOM 203 N MET A 14 -4.928 -0.998 -12.537 1.00 0.25 N ATOM 204 CA MET A 14 -4.496 -1.786 -13.685 1.00 0.28 C ATOM 205 C MET A 14 -3.116 -1.341 -14.150 1.00 0.30 C ATOM 206 O MET A 14 -2.231 -2.166 -14.379 1.00 0.31 O ATOM 207 CB MET A 14 -5.503 -1.654 -14.829 1.00 0.33 C ATOM 208 CG MET A 14 -5.108 -2.420 -16.079 1.00 0.51 C ATOM 209 SD MET A 14 -4.071 -1.449 -17.190 1.00 1.07 S ATOM 210 CE MET A 14 -4.390 -2.267 -18.752 1.00 0.53 C ATOM 0 H MET A 14 -5.776 -0.454 -12.696 1.00 0.25 H new ATOM 0 HA MET A 14 -4.441 -2.832 -13.383 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.476 -2.009 -14.488 1.00 0.33 H new ATOM 0 HB3 MET A 14 -5.618 -0.600 -15.080 1.00 0.33 H new ATOM 0 HG2 MET A 14 -4.576 -3.327 -15.792 1.00 0.51 H new ATOM 0 HG3 MET A 14 -6.008 -2.732 -16.609 1.00 0.51 H new ATOM 0 HE1 MET A 14 -3.626 -1.981 -19.475 1.00 0.53 H new ATOM 0 HE2 MET A 14 -4.367 -3.347 -18.608 1.00 0.53 H new ATOM 0 HE3 MET A 14 -5.371 -1.971 -19.124 1.00 0.53 H new ATOM 220 N LYS A 15 -2.934 -0.031 -14.282 1.00 0.33 N ATOM 221 CA LYS A 15 -1.659 0.526 -14.717 1.00 0.38 C ATOM 222 C LYS A 15 -0.577 0.295 -13.667 1.00 0.35 C ATOM 223 O LYS A 15 0.538 -0.111 -13.990 1.00 0.38 O ATOM 224 CB LYS A 15 -1.801 2.023 -14.999 1.00 0.47 C ATOM 225 CG LYS A 15 -2.177 2.337 -16.437 1.00 1.13 C ATOM 226 CD LYS A 15 -0.944 2.542 -17.303 1.00 1.58 C ATOM 227 CE LYS A 15 -0.923 1.582 -18.480 1.00 1.19 C ATOM 228 NZ LYS A 15 0.239 1.828 -19.379 1.00 2.02 N ATOM 0 H LYS A 15 -3.655 0.665 -14.093 1.00 0.33 H new ATOM 0 HA LYS A 15 -1.364 0.017 -15.635 1.00 0.38 H new ATOM 0 HB2 LYS A 15 -2.558 2.439 -14.335 1.00 0.47 H new ATOM 0 HB3 LYS A 15 -0.861 2.520 -14.761 1.00 0.47 H new ATOM 0 HG2 LYS A 15 -2.777 1.523 -16.843 1.00 1.13 H new ATOM 0 HG3 LYS A 15 -2.796 3.234 -16.465 1.00 1.13 H new ATOM 0 HD2 LYS A 15 -0.922 3.568 -17.669 1.00 1.58 H new ATOM 0 HD3 LYS A 15 -0.047 2.399 -16.700 1.00 1.58 H new ATOM 0 HE2 LYS A 15 -0.886 0.557 -18.111 1.00 1.19 H new ATOM 0 HE3 LYS A 15 -1.848 1.683 -19.047 1.00 1.19 H new ATOM 0 HZ1 LYS A 15 0.216 1.152 -20.169 1.00 2.02 H new ATOM 0 HZ2 LYS A 15 0.190 2.798 -19.752 1.00 2.02 H new ATOM 0 HZ3 LYS A 15 1.123 1.706 -18.845 1.00 2.02 H new ATOM 242 N TYR A 16 -0.916 0.556 -12.410 1.00 0.31 N ATOM 243 CA TYR A 16 0.027 0.377 -11.312 1.00 0.31 C ATOM 244 C TYR A 16 0.494 -1.072 -11.227 1.00 0.29 C ATOM 245 O TYR A 16 1.692 -1.353 -11.273 1.00 0.32 O ATOM 246 CB TYR A 16 -0.617 0.798 -9.989 1.00 0.31 C ATOM 247 CG TYR A 16 -0.169 -0.029 -8.804 1.00 0.32 C ATOM 248 CD1 TYR A 16 1.129 0.060 -8.320 1.00 1.17 C ATOM 249 CD2 TYR A 16 -1.049 -0.897 -8.169 1.00 1.19 C ATOM 250 CE1 TYR A 16 1.541 -0.693 -7.236 1.00 1.21 C ATOM 251 CE2 TYR A 16 -0.645 -1.652 -7.084 1.00 1.22 C ATOM 252 CZ TYR A 16 0.650 -1.547 -6.623 1.00 0.50 C ATOM 253 OH TYR A 16 1.055 -2.299 -5.543 1.00 0.62 O ATOM 0 H TYR A 16 -1.836 0.892 -12.126 1.00 0.31 H new ATOM 0 HA TYR A 16 0.895 1.007 -11.503 1.00 0.31 H new ATOM 0 HB2 TYR A 16 -0.384 1.846 -9.799 1.00 0.31 H new ATOM 0 HB3 TYR A 16 -1.700 0.725 -10.083 1.00 0.31 H new ATOM 0 HD1 TYR A 16 1.829 0.729 -8.798 1.00 1.17 H new ATOM 0 HD2 TYR A 16 -2.064 -0.983 -8.529 1.00 1.19 H new ATOM 0 HE1 TYR A 16 2.555 -0.612 -6.872 1.00 1.21 H new ATOM 0 HE2 TYR A 16 -1.341 -2.321 -6.600 1.00 1.22 H new ATOM 0 HH TYR A 16 0.422 -2.179 -4.805 1.00 0.62 H new ATOM 263 N ILE A 17 -0.460 -1.988 -11.101 1.00 0.26 N ATOM 264 CA ILE A 17 -0.148 -3.408 -11.009 1.00 0.27 C ATOM 265 C ILE A 17 0.607 -3.887 -12.245 1.00 0.28 C ATOM 266 O ILE A 17 1.502 -4.726 -12.150 1.00 0.30 O ATOM 267 CB ILE A 17 -1.424 -4.255 -10.842 1.00 0.28 C ATOM 268 CG1 ILE A 17 -2.118 -3.918 -9.522 1.00 0.45 C ATOM 269 CG2 ILE A 17 -1.089 -5.737 -10.909 1.00 0.47 C ATOM 270 CD1 ILE A 17 -1.511 -4.618 -8.325 1.00 0.49 C ATOM 0 H ILE A 17 -1.456 -1.772 -11.060 1.00 0.26 H new ATOM 0 HA ILE A 17 0.482 -3.536 -10.129 1.00 0.27 H new ATOM 0 HB ILE A 17 -2.107 -4.020 -11.659 1.00 0.28 H new ATOM 0 HG12 ILE A 17 -2.075 -2.841 -9.363 1.00 0.45 H new ATOM 0 HG13 ILE A 17 -3.171 -4.188 -9.595 1.00 0.45 H new ATOM 0 HG21 ILE A 17 -2.001 -6.322 -10.789 1.00 0.47 H new ATOM 0 HG22 ILE A 17 -0.636 -5.964 -11.874 1.00 0.47 H new ATOM 0 HG23 ILE A 17 -0.390 -5.988 -10.112 1.00 0.47 H new ATOM 0 HD11 ILE A 17 -2.053 -4.333 -7.423 1.00 0.49 H new ATOM 0 HD12 ILE A 17 -1.578 -5.697 -8.462 1.00 0.49 H new ATOM 0 HD13 ILE A 17 -0.465 -4.329 -8.226 1.00 0.49 H new ATOM 282 N HIS A 18 0.241 -3.351 -13.405 1.00 0.27 N ATOM 283 CA HIS A 18 0.889 -3.728 -14.655 1.00 0.28 C ATOM 284 C HIS A 18 2.401 -3.550 -14.556 1.00 0.31 C ATOM 285 O HIS A 18 3.163 -4.489 -14.783 1.00 0.43 O ATOM 286 CB HIS A 18 0.342 -2.896 -15.817 1.00 0.30 C ATOM 287 CG HIS A 18 -0.496 -3.683 -16.777 1.00 0.34 C ATOM 288 ND1 HIS A 18 0.037 -4.407 -17.822 1.00 0.58 N ATOM 289 CD2 HIS A 18 -1.838 -3.858 -16.848 1.00 0.62 C ATOM 290 CE1 HIS A 18 -0.939 -4.990 -18.495 1.00 0.52 C ATOM 291 NE2 HIS A 18 -2.086 -4.673 -17.924 1.00 0.51 N ATOM 0 H HIS A 18 -0.499 -2.656 -13.505 1.00 0.27 H new ATOM 0 HA HIS A 18 0.673 -4.780 -14.842 1.00 0.28 H new ATOM 0 HB2 HIS A 18 -0.253 -2.075 -15.416 1.00 0.30 H new ATOM 0 HB3 HIS A 18 1.177 -2.450 -16.358 1.00 0.30 H new ATOM 0 HD1 HIS A 18 1.030 -4.481 -18.041 1.00 0.58 H new ATOM 0 HD2 HIS A 18 -2.575 -3.435 -16.182 1.00 0.62 H new ATOM 0 HE1 HIS A 18 -0.819 -5.619 -19.365 1.00 0.52 H new ATOM 299 N TYR A 19 2.830 -2.339 -14.212 1.00 0.33 N ATOM 300 CA TYR A 19 4.252 -2.039 -14.082 1.00 0.39 C ATOM 301 C TYR A 19 4.915 -2.981 -13.083 1.00 0.37 C ATOM 302 O TYR A 19 6.059 -3.394 -13.271 1.00 0.48 O ATOM 303 CB TYR A 19 4.452 -0.588 -13.645 1.00 0.46 C ATOM 304 CG TYR A 19 5.538 0.131 -14.413 1.00 0.42 C ATOM 305 CD1 TYR A 19 6.750 -0.489 -14.683 1.00 0.47 C ATOM 306 CD2 TYR A 19 5.350 1.430 -14.868 1.00 0.41 C ATOM 307 CE1 TYR A 19 7.746 0.165 -15.384 1.00 0.47 C ATOM 308 CE2 TYR A 19 6.340 2.091 -15.570 1.00 0.43 C ATOM 309 CZ TYR A 19 7.536 1.454 -15.826 1.00 0.44 C ATOM 310 OH TYR A 19 8.524 2.108 -16.525 1.00 0.48 O ATOM 0 H TYR A 19 2.213 -1.550 -14.018 1.00 0.33 H new ATOM 0 HA TYR A 19 4.720 -2.183 -15.056 1.00 0.39 H new ATOM 0 HB2 TYR A 19 3.513 -0.048 -13.768 1.00 0.46 H new ATOM 0 HB3 TYR A 19 4.695 -0.567 -12.583 1.00 0.46 H new ATOM 0 HD1 TYR A 19 6.918 -1.499 -14.340 1.00 0.47 H new ATOM 0 HD2 TYR A 19 4.414 1.932 -14.670 1.00 0.41 H new ATOM 0 HE1 TYR A 19 8.684 -0.331 -15.584 1.00 0.47 H new ATOM 0 HE2 TYR A 19 6.178 3.101 -15.916 1.00 0.43 H new ATOM 0 HH TYR A 19 8.215 3.007 -16.764 1.00 0.48 H new ATOM 320 N LYS A 20 4.190 -3.316 -12.022 1.00 0.30 N ATOM 321 CA LYS A 20 4.713 -4.211 -10.996 1.00 0.33 C ATOM 322 C LYS A 20 5.051 -5.574 -11.590 1.00 0.36 C ATOM 323 O LYS A 20 6.067 -6.178 -11.244 1.00 0.50 O ATOM 324 CB LYS A 20 3.700 -4.371 -9.860 1.00 0.37 C ATOM 325 CG LYS A 20 4.037 -5.501 -8.902 1.00 0.77 C ATOM 326 CD LYS A 20 5.474 -5.410 -8.414 1.00 0.95 C ATOM 327 CE LYS A 20 5.577 -5.694 -6.925 1.00 1.34 C ATOM 328 NZ LYS A 20 5.975 -7.102 -6.653 1.00 1.84 N ATOM 0 H LYS A 20 3.241 -2.983 -11.850 1.00 0.30 H new ATOM 0 HA LYS A 20 5.626 -3.771 -10.595 1.00 0.33 H new ATOM 0 HB2 LYS A 20 3.642 -3.437 -9.301 1.00 0.37 H new ATOM 0 HB3 LYS A 20 2.713 -4.549 -10.287 1.00 0.37 H new ATOM 0 HG2 LYS A 20 3.360 -5.470 -8.049 1.00 0.77 H new ATOM 0 HG3 LYS A 20 3.880 -6.459 -9.398 1.00 0.77 H new ATOM 0 HD2 LYS A 20 6.092 -6.120 -8.964 1.00 0.95 H new ATOM 0 HD3 LYS A 20 5.868 -4.416 -8.624 1.00 0.95 H new ATOM 0 HE2 LYS A 20 6.305 -5.018 -6.476 1.00 1.34 H new ATOM 0 HE3 LYS A 20 4.618 -5.490 -6.450 1.00 1.34 H new ATOM 0 HZ1 LYS A 20 6.687 -7.121 -5.895 1.00 1.84 H new ATOM 0 HZ2 LYS A 20 5.140 -7.648 -6.358 1.00 1.84 H new ATOM 0 HZ3 LYS A 20 6.376 -7.522 -7.516 1.00 1.84 H new ATOM 342 N LEU A 21 4.195 -6.051 -12.487 1.00 0.34 N ATOM 343 CA LEU A 21 4.404 -7.342 -13.132 1.00 0.37 C ATOM 344 C LEU A 21 5.464 -7.239 -14.223 1.00 0.40 C ATOM 345 O LEU A 21 6.337 -8.101 -14.337 1.00 0.43 O ATOM 346 CB LEU A 21 3.091 -7.856 -13.727 1.00 0.40 C ATOM 347 CG LEU A 21 2.297 -8.800 -12.824 1.00 0.37 C ATOM 348 CD1 LEU A 21 1.073 -8.093 -12.259 1.00 0.56 C ATOM 349 CD2 LEU A 21 1.887 -10.049 -13.589 1.00 0.71 C ATOM 0 H LEU A 21 3.350 -5.563 -12.784 1.00 0.34 H new ATOM 0 HA LEU A 21 4.753 -8.046 -12.377 1.00 0.37 H new ATOM 0 HB2 LEU A 21 2.463 -7.001 -13.975 1.00 0.40 H new ATOM 0 HB3 LEU A 21 3.311 -8.371 -14.662 1.00 0.40 H new ATOM 0 HG LEU A 21 2.935 -9.100 -11.993 1.00 0.37 H new ATOM 0 HD11 LEU A 21 0.519 -8.780 -11.619 1.00 0.56 H new ATOM 0 HD12 LEU A 21 1.389 -7.228 -11.676 1.00 0.56 H new ATOM 0 HD13 LEU A 21 0.433 -7.764 -13.077 1.00 0.56 H new ATOM 0 HD21 LEU A 21 1.323 -10.710 -12.931 1.00 0.71 H new ATOM 0 HD22 LEU A 21 1.266 -9.767 -14.440 1.00 0.71 H new ATOM 0 HD23 LEU A 21 2.778 -10.566 -13.945 1.00 0.71 H new ATOM 361 N SER A 22 5.383 -6.182 -15.024 1.00 0.41 N ATOM 362 CA SER A 22 6.337 -5.967 -16.106 1.00 0.45 C ATOM 363 C SER A 22 7.770 -6.029 -15.585 1.00 0.49 C ATOM 364 O SER A 22 8.684 -6.440 -16.301 1.00 0.53 O ATOM 365 CB SER A 22 6.084 -4.617 -16.778 1.00 0.52 C ATOM 366 OG SER A 22 5.486 -4.785 -18.051 1.00 1.44 O ATOM 0 H SER A 22 4.666 -5.461 -14.944 1.00 0.41 H new ATOM 0 HA SER A 22 6.201 -6.760 -16.841 1.00 0.45 H new ATOM 0 HB2 SER A 22 5.437 -4.008 -16.146 1.00 0.52 H new ATOM 0 HB3 SER A 22 7.025 -4.078 -16.883 1.00 0.52 H new ATOM 0 HG SER A 22 5.333 -3.907 -18.459 1.00 1.44 H new ATOM 372 N GLN A 23 7.959 -5.620 -14.335 1.00 0.50 N ATOM 373 CA GLN A 23 9.280 -5.631 -13.718 1.00 0.57 C ATOM 374 C GLN A 23 9.936 -7.000 -13.866 1.00 0.60 C ATOM 375 O GLN A 23 11.152 -7.105 -14.022 1.00 0.70 O ATOM 376 CB GLN A 23 9.179 -5.259 -12.237 1.00 0.58 C ATOM 377 CG GLN A 23 10.426 -5.601 -11.438 1.00 0.56 C ATOM 378 CD GLN A 23 10.549 -4.779 -10.171 1.00 1.36 C ATOM 379 OE1 GLN A 23 10.539 -3.549 -10.211 1.00 2.21 O ATOM 380 NE2 GLN A 23 10.667 -5.456 -9.035 1.00 2.08 N ATOM 0 H GLN A 23 7.214 -5.277 -13.729 1.00 0.50 H new ATOM 0 HA GLN A 23 9.898 -4.893 -14.229 1.00 0.57 H new ATOM 0 HB2 GLN A 23 8.985 -4.190 -12.152 1.00 0.58 H new ATOM 0 HB3 GLN A 23 8.324 -5.774 -11.799 1.00 0.58 H new ATOM 0 HG2 GLN A 23 10.409 -6.660 -11.180 1.00 0.56 H new ATOM 0 HG3 GLN A 23 11.307 -5.439 -12.059 1.00 0.56 H new ATOM 0 HE21 GLN A 23 10.671 -6.476 -9.047 1.00 2.08 H new ATOM 0 HE22 GLN A 23 10.754 -4.956 -8.150 1.00 2.08 H new ATOM 389 N ARG A 24 9.119 -8.047 -13.819 1.00 0.58 N ATOM 390 CA ARG A 24 9.614 -9.412 -13.949 1.00 0.66 C ATOM 391 C ARG A 24 9.535 -9.894 -15.396 1.00 0.65 C ATOM 392 O ARG A 24 10.266 -10.799 -15.798 1.00 0.73 O ATOM 393 CB ARG A 24 8.818 -10.352 -13.043 1.00 0.70 C ATOM 394 CG ARG A 24 9.328 -11.784 -13.055 1.00 0.97 C ATOM 395 CD ARG A 24 10.772 -11.866 -12.588 1.00 0.70 C ATOM 396 NE ARG A 24 11.084 -13.165 -11.996 1.00 1.22 N ATOM 397 CZ ARG A 24 11.201 -14.292 -12.695 1.00 1.89 C ATOM 398 NH1 ARG A 24 11.031 -14.290 -14.013 1.00 2.58 N ATOM 399 NH2 ARG A 24 11.486 -15.428 -12.074 1.00 2.43 N ATOM 0 H ARG A 24 8.109 -7.976 -13.692 1.00 0.58 H new ATOM 0 HA ARG A 24 10.660 -9.419 -13.644 1.00 0.66 H new ATOM 0 HB2 ARG A 24 8.850 -9.972 -12.022 1.00 0.70 H new ATOM 0 HB3 ARG A 24 7.773 -10.344 -13.354 1.00 0.70 H new ATOM 0 HG2 ARG A 24 8.701 -12.400 -12.411 1.00 0.97 H new ATOM 0 HG3 ARG A 24 9.247 -12.192 -14.063 1.00 0.97 H new ATOM 0 HD2 ARG A 24 11.437 -11.684 -13.432 1.00 0.70 H new ATOM 0 HD3 ARG A 24 10.962 -11.080 -11.857 1.00 0.70 H new ATOM 0 HE ARG A 24 11.220 -13.211 -10.986 1.00 1.22 H new ATOM 0 HH11 ARG A 24 10.809 -13.420 -14.497 1.00 2.58 H new ATOM 0 HH12 ARG A 24 11.123 -15.158 -14.540 1.00 2.58 H new ATOM 0 HH21 ARG A 24 11.615 -15.438 -11.062 1.00 2.43 H new ATOM 0 HH22 ARG A 24 11.576 -16.292 -12.608 1.00 2.43 H new ATOM 413 N GLY A 25 8.638 -9.294 -16.175 1.00 0.59 N ATOM 414 CA GLY A 25 8.480 -9.686 -17.562 1.00 0.60 C ATOM 415 C GLY A 25 7.320 -10.646 -17.766 1.00 0.62 C ATOM 416 O GLY A 25 7.256 -11.342 -18.779 1.00 0.99 O ATOM 0 H GLY A 25 8.019 -8.544 -15.869 1.00 0.59 H new ATOM 0 HA2 GLY A 25 8.323 -8.796 -18.172 1.00 0.60 H new ATOM 0 HA3 GLY A 25 9.400 -10.154 -17.911 1.00 0.60 H new ATOM 420 N TYR A 26 6.398 -10.685 -16.804 1.00 0.60 N ATOM 421 CA TYR A 26 5.240 -11.566 -16.889 1.00 0.61 C ATOM 422 C TYR A 26 4.087 -10.874 -17.606 1.00 0.63 C ATOM 423 O TYR A 26 3.352 -10.089 -17.008 1.00 0.99 O ATOM 424 CB TYR A 26 4.800 -12.001 -15.490 1.00 0.80 C ATOM 425 CG TYR A 26 5.646 -13.109 -14.902 1.00 0.55 C ATOM 426 CD1 TYR A 26 6.927 -13.359 -15.378 1.00 1.20 C ATOM 427 CD2 TYR A 26 5.162 -13.904 -13.871 1.00 1.35 C ATOM 428 CE1 TYR A 26 7.702 -14.370 -14.842 1.00 1.18 C ATOM 429 CE2 TYR A 26 5.931 -14.916 -13.329 1.00 1.49 C ATOM 430 CZ TYR A 26 7.200 -15.145 -13.819 1.00 0.78 C ATOM 431 OH TYR A 26 7.969 -16.153 -13.282 1.00 1.10 O ATOM 0 H TYR A 26 6.433 -10.116 -15.958 1.00 0.60 H new ATOM 0 HA TYR A 26 5.525 -12.449 -17.462 1.00 0.61 H new ATOM 0 HB2 TYR A 26 4.833 -11.139 -14.824 1.00 0.80 H new ATOM 0 HB3 TYR A 26 3.762 -12.332 -15.532 1.00 0.80 H new ATOM 0 HD1 TYR A 26 7.324 -12.754 -16.180 1.00 1.20 H new ATOM 0 HD2 TYR A 26 4.168 -13.728 -13.487 1.00 1.35 H new ATOM 0 HE1 TYR A 26 8.696 -14.552 -15.223 1.00 1.18 H new ATOM 0 HE2 TYR A 26 5.541 -15.524 -12.526 1.00 1.49 H new ATOM 0 HH TYR A 26 7.468 -16.603 -12.570 1.00 1.10 H new ATOM 441 N GLU A 27 3.939 -11.168 -18.893 1.00 0.63 N ATOM 442 CA GLU A 27 2.878 -10.572 -19.695 1.00 0.63 C ATOM 443 C GLU A 27 1.512 -10.810 -19.062 1.00 0.58 C ATOM 444 O GLU A 27 0.862 -11.824 -19.327 1.00 0.69 O ATOM 445 CB GLU A 27 2.903 -11.144 -21.113 1.00 0.79 C ATOM 446 CG GLU A 27 3.970 -10.526 -22.001 1.00 1.20 C ATOM 447 CD GLU A 27 4.290 -11.382 -23.210 1.00 1.85 C ATOM 448 OE1 GLU A 27 3.426 -12.188 -23.613 1.00 2.32 O ATOM 449 OE2 GLU A 27 5.407 -11.247 -23.754 1.00 2.58 O ATOM 0 H GLU A 27 4.540 -11.815 -19.403 1.00 0.63 H new ATOM 0 HA GLU A 27 3.052 -9.497 -19.739 1.00 0.63 H new ATOM 0 HB2 GLU A 27 3.067 -12.220 -21.059 1.00 0.79 H new ATOM 0 HB3 GLU A 27 1.927 -10.993 -21.574 1.00 0.79 H new ATOM 0 HG2 GLU A 27 3.636 -9.544 -22.334 1.00 1.20 H new ATOM 0 HG3 GLU A 27 4.878 -10.373 -21.418 1.00 1.20 H new ATOM 456 N TRP A 28 1.076 -9.870 -18.230 1.00 0.48 N ATOM 457 CA TRP A 28 -0.217 -9.978 -17.567 1.00 0.47 C ATOM 458 C TRP A 28 -1.350 -9.760 -18.565 1.00 0.56 C ATOM 459 O TRP A 28 -1.403 -8.735 -19.245 1.00 0.85 O ATOM 460 CB TRP A 28 -0.318 -8.962 -16.427 1.00 0.42 C ATOM 461 CG TRP A 28 -1.713 -8.782 -15.906 1.00 0.36 C ATOM 462 CD1 TRP A 28 -2.721 -9.702 -15.920 1.00 0.36 C ATOM 463 CD2 TRP A 28 -2.253 -7.605 -15.294 1.00 0.36 C ATOM 464 NE1 TRP A 28 -3.855 -9.167 -15.359 1.00 0.36 N ATOM 465 CE2 TRP A 28 -3.592 -7.883 -14.964 1.00 0.36 C ATOM 466 CE3 TRP A 28 -1.733 -6.345 -14.993 1.00 0.42 C ATOM 467 CZ2 TRP A 28 -4.418 -6.945 -14.349 1.00 0.41 C ATOM 468 CZ3 TRP A 28 -2.552 -5.414 -14.381 1.00 0.47 C ATOM 469 CH2 TRP A 28 -3.882 -5.719 -14.064 1.00 0.46 C ATOM 0 H TRP A 28 1.599 -9.025 -17.999 1.00 0.48 H new ATOM 0 HA TRP A 28 -0.307 -10.982 -17.152 1.00 0.47 H new ATOM 0 HB2 TRP A 28 0.328 -9.281 -15.609 1.00 0.42 H new ATOM 0 HB3 TRP A 28 0.058 -8.000 -16.774 1.00 0.42 H new ATOM 0 HD1 TRP A 28 -2.639 -10.704 -16.314 1.00 0.36 H new ATOM 0 HE1 TRP A 28 -4.748 -9.648 -15.254 1.00 0.36 H new ATOM 0 HE3 TRP A 28 -0.709 -6.102 -15.234 1.00 0.42 H new ATOM 0 HZ2 TRP A 28 -5.444 -7.177 -14.106 1.00 0.41 H new ATOM 0 HZ3 TRP A 28 -2.160 -4.436 -14.144 1.00 0.47 H new ATOM 0 HH2 TRP A 28 -4.497 -4.971 -13.585 1.00 0.46 H new ATOM 480 N ASP A 29 -2.254 -10.731 -18.648 1.00 0.86 N ATOM 481 CA ASP A 29 -3.385 -10.646 -19.563 1.00 1.00 C ATOM 482 C ASP A 29 -4.522 -9.834 -18.952 1.00 0.97 C ATOM 483 O ASP A 29 -5.637 -10.333 -18.790 1.00 1.29 O ATOM 484 CB ASP A 29 -3.880 -12.047 -19.925 1.00 1.26 C ATOM 485 CG ASP A 29 -3.055 -12.686 -21.026 1.00 2.13 C ATOM 486 OD1 ASP A 29 -3.051 -12.148 -22.153 1.00 2.71 O ATOM 487 OD2 ASP A 29 -2.414 -13.724 -20.761 1.00 2.82 O ATOM 0 H ASP A 29 -2.225 -11.586 -18.092 1.00 0.86 H new ATOM 0 HA ASP A 29 -3.050 -10.141 -20.469 1.00 1.00 H new ATOM 0 HB2 ASP A 29 -3.850 -12.680 -19.038 1.00 1.26 H new ATOM 0 HB3 ASP A 29 -4.922 -11.991 -20.241 1.00 1.26 H new ATOM 492 N ALA A 30 -4.236 -8.581 -18.618 1.00 0.95 N ATOM 493 CA ALA A 30 -5.237 -7.700 -18.028 1.00 0.99 C ATOM 494 C ALA A 30 -6.304 -7.326 -19.050 1.00 1.18 C ATOM 495 O ALA A 30 -7.496 -7.527 -18.821 1.00 1.46 O ATOM 496 CB ALA A 30 -4.575 -6.447 -17.473 1.00 1.05 C ATOM 0 H ALA A 30 -3.319 -8.152 -18.746 1.00 0.95 H new ATOM 0 HA ALA A 30 -5.722 -8.234 -17.211 1.00 0.99 H new ATOM 0 HB1 ALA A 30 -5.334 -5.798 -17.036 1.00 1.05 H new ATOM 0 HB2 ALA A 30 -3.851 -6.727 -16.707 1.00 1.05 H new ATOM 0 HB3 ALA A 30 -4.065 -5.918 -18.278 1.00 1.05 H new ATOM 502 N GLY A 31 -5.865 -6.779 -20.179 1.00 1.41 N ATOM 503 CA GLY A 31 -6.792 -6.383 -21.222 1.00 1.62 C ATOM 504 C GLY A 31 -7.119 -7.520 -22.171 1.00 2.53 C ATOM 505 O GLY A 31 -6.717 -7.501 -23.335 1.00 3.27 O ATOM 0 H GLY A 31 -4.883 -6.603 -20.390 1.00 1.41 H new ATOM 0 HA2 GLY A 31 -7.713 -6.018 -20.766 1.00 1.62 H new ATOM 0 HA3 GLY A 31 -6.366 -5.554 -21.787 1.00 1.62 H new ATOM 509 N ASP A 32 -7.851 -8.511 -21.674 1.00 3.10 N ATOM 510 CA ASP A 32 -8.232 -9.662 -22.485 1.00 4.25 C ATOM 511 C ASP A 32 -8.837 -9.217 -23.812 1.00 4.56 C ATOM 512 O ASP A 32 -8.714 -9.909 -24.824 1.00 5.25 O ATOM 513 CB ASP A 32 -9.229 -10.539 -21.726 1.00 5.08 C ATOM 514 CG ASP A 32 -10.657 -10.324 -22.188 1.00 5.80 C ATOM 515 OD1 ASP A 32 -11.170 -9.198 -22.024 1.00 6.39 O ATOM 516 OD2 ASP A 32 -11.262 -11.282 -22.714 1.00 6.10 O ATOM 0 H ASP A 32 -8.193 -8.541 -20.713 1.00 3.10 H new ATOM 0 HA ASP A 32 -7.333 -10.242 -22.693 1.00 4.25 H new ATOM 0 HB2 ASP A 32 -8.961 -11.587 -21.859 1.00 5.08 H new ATOM 0 HB3 ASP A 32 -9.159 -10.325 -20.660 1.00 5.08 H new ATOM 521 N ASP A 33 -9.491 -8.061 -23.803 1.00 4.40 N ATOM 522 CA ASP A 33 -10.116 -7.528 -25.007 1.00 4.91 C ATOM 523 C ASP A 33 -9.087 -6.838 -25.897 1.00 4.64 C ATOM 524 O ASP A 33 -9.064 -5.611 -26.000 1.00 4.81 O ATOM 525 CB ASP A 33 -11.227 -6.544 -24.637 1.00 5.75 C ATOM 526 CG ASP A 33 -12.337 -6.510 -25.669 1.00 6.68 C ATOM 527 OD1 ASP A 33 -12.610 -7.565 -26.282 1.00 7.08 O ATOM 528 OD2 ASP A 33 -12.934 -5.431 -25.864 1.00 7.25 O ATOM 0 H ASP A 33 -9.602 -7.475 -22.975 1.00 4.40 H new ATOM 0 HA ASP A 33 -10.547 -8.362 -25.561 1.00 4.91 H new ATOM 0 HB2 ASP A 33 -11.644 -6.819 -23.668 1.00 5.75 H new ATOM 0 HB3 ASP A 33 -10.803 -5.545 -24.530 1.00 5.75 H new ATOM 533 N VAL A 34 -8.240 -7.634 -26.543 1.00 4.72 N ATOM 534 CA VAL A 34 -7.212 -7.099 -27.428 1.00 4.94 C ATOM 535 C VAL A 34 -7.758 -6.896 -28.838 1.00 5.18 C ATOM 536 O VAL A 34 -7.232 -7.448 -29.803 1.00 5.68 O ATOM 537 CB VAL A 34 -5.986 -8.028 -27.493 1.00 5.44 C ATOM 538 CG1 VAL A 34 -5.341 -8.156 -26.121 1.00 5.96 C ATOM 539 CG2 VAL A 34 -6.379 -9.393 -28.034 1.00 6.12 C ATOM 0 H VAL A 34 -8.246 -8.651 -26.470 1.00 4.72 H new ATOM 0 HA VAL A 34 -6.906 -6.138 -27.015 1.00 4.94 H new ATOM 0 HB VAL A 34 -5.256 -7.590 -28.173 1.00 5.44 H new ATOM 0 HG11 VAL A 34 -4.476 -8.816 -26.186 1.00 5.96 H new ATOM 0 HG12 VAL A 34 -5.022 -7.173 -25.776 1.00 5.96 H new ATOM 0 HG13 VAL A 34 -6.062 -8.571 -25.417 1.00 5.96 H new ATOM 0 HG21 VAL A 34 -5.500 -10.036 -28.073 1.00 6.12 H new ATOM 0 HG22 VAL A 34 -7.128 -9.841 -27.381 1.00 6.12 H new ATOM 0 HG23 VAL A 34 -6.792 -9.282 -29.037 1.00 6.12 H new ATOM 549 N GLU A 35 -8.819 -6.101 -28.947 1.00 5.23 N ATOM 550 CA GLU A 35 -9.439 -5.827 -30.239 1.00 5.82 C ATOM 551 C GLU A 35 -9.206 -4.378 -30.665 1.00 6.05 C ATOM 552 O GLU A 35 -10.058 -3.768 -31.312 1.00 6.18 O ATOM 553 CB GLU A 35 -10.940 -6.117 -30.179 1.00 6.18 C ATOM 554 CG GLU A 35 -11.641 -5.451 -29.006 1.00 6.33 C ATOM 555 CD GLU A 35 -13.091 -5.123 -29.304 1.00 7.24 C ATOM 556 OE1 GLU A 35 -13.421 -4.913 -30.489 1.00 7.91 O ATOM 557 OE2 GLU A 35 -13.897 -5.079 -28.350 1.00 7.50 O ATOM 0 H GLU A 35 -9.266 -5.636 -28.157 1.00 5.23 H new ATOM 0 HA GLU A 35 -8.977 -6.481 -30.979 1.00 5.82 H new ATOM 0 HB2 GLU A 35 -11.404 -5.782 -31.107 1.00 6.18 H new ATOM 0 HB3 GLU A 35 -11.091 -7.195 -30.118 1.00 6.18 H new ATOM 0 HG2 GLU A 35 -11.592 -6.108 -28.137 1.00 6.33 H new ATOM 0 HG3 GLU A 35 -11.112 -4.535 -28.743 1.00 6.33 H new ATOM 564 N GLU A 36 -8.048 -3.832 -30.300 1.00 6.42 N ATOM 565 CA GLU A 36 -7.702 -2.454 -30.646 1.00 6.91 C ATOM 566 C GLU A 36 -8.857 -1.507 -30.334 1.00 6.83 C ATOM 567 O GLU A 36 -9.655 -1.176 -31.211 1.00 7.12 O ATOM 568 CB GLU A 36 -7.333 -2.356 -32.128 1.00 7.68 C ATOM 569 CG GLU A 36 -5.957 -2.917 -32.449 1.00 8.06 C ATOM 570 CD GLU A 36 -5.988 -4.404 -32.743 1.00 8.78 C ATOM 571 OE1 GLU A 36 -6.769 -4.818 -33.626 1.00 9.10 O ATOM 572 OE2 GLU A 36 -5.233 -5.154 -32.090 1.00 9.26 O ATOM 0 H GLU A 36 -7.332 -4.323 -29.764 1.00 6.42 H new ATOM 0 HA GLU A 36 -6.843 -2.160 -30.044 1.00 6.91 H new ATOM 0 HB2 GLU A 36 -8.080 -2.889 -32.716 1.00 7.68 H new ATOM 0 HB3 GLU A 36 -7.371 -1.311 -32.435 1.00 7.68 H new ATOM 0 HG2 GLU A 36 -5.545 -2.389 -33.309 1.00 8.06 H new ATOM 0 HG3 GLU A 36 -5.288 -2.730 -31.609 1.00 8.06 H new ATOM 579 N ASN A 37 -8.938 -1.074 -29.080 1.00 6.73 N ATOM 580 CA ASN A 37 -9.995 -0.165 -28.652 1.00 6.89 C ATOM 581 C ASN A 37 -9.475 1.266 -28.553 1.00 6.79 C ATOM 582 O ASN A 37 -8.976 1.685 -27.510 1.00 7.10 O ATOM 583 CB ASN A 37 -10.560 -0.608 -27.301 1.00 7.50 C ATOM 584 CG ASN A 37 -12.039 -0.306 -27.165 1.00 7.98 C ATOM 585 OD1 ASN A 37 -12.450 0.855 -27.157 1.00 8.08 O ATOM 586 ND2 ASN A 37 -12.848 -1.353 -27.057 1.00 8.58 N ATOM 0 H ASN A 37 -8.284 -1.338 -28.343 1.00 6.73 H new ATOM 0 HA ASN A 37 -10.789 -0.194 -29.398 1.00 6.89 H new ATOM 0 HB2 ASN A 37 -10.398 -1.679 -27.176 1.00 7.50 H new ATOM 0 HB3 ASN A 37 -10.015 -0.107 -26.501 1.00 7.50 H new ATOM 0 HD21 ASN A 37 -13.854 -1.213 -26.963 1.00 8.58 H new ATOM 0 HD22 ASN A 37 -12.464 -2.298 -27.068 1.00 8.58 H new ATOM 593 N ARG A 38 -9.598 2.011 -29.646 1.00 6.66 N ATOM 594 CA ARG A 38 -9.141 3.396 -29.681 1.00 6.87 C ATOM 595 C ARG A 38 -10.325 4.358 -29.693 1.00 6.86 C ATOM 596 O ARG A 38 -10.467 5.173 -30.605 1.00 7.36 O ATOM 597 CB ARG A 38 -8.256 3.638 -30.906 1.00 6.93 C ATOM 598 CG ARG A 38 -8.955 3.364 -32.230 1.00 7.23 C ATOM 599 CD ARG A 38 -8.068 2.577 -33.182 1.00 7.49 C ATOM 600 NE ARG A 38 -7.559 3.410 -34.269 1.00 7.97 N ATOM 601 CZ ARG A 38 -8.319 3.895 -35.251 1.00 8.38 C ATOM 602 NH1 ARG A 38 -9.621 3.634 -35.288 1.00 8.41 N ATOM 603 NH2 ARG A 38 -7.774 4.645 -36.199 1.00 9.03 N ATOM 0 H ARG A 38 -10.010 1.680 -30.519 1.00 6.66 H new ATOM 0 HA ARG A 38 -8.554 3.580 -28.781 1.00 6.87 H new ATOM 0 HB2 ARG A 38 -7.910 4.672 -30.895 1.00 6.93 H new ATOM 0 HB3 ARG A 38 -7.371 3.005 -30.835 1.00 6.93 H new ATOM 0 HG2 ARG A 38 -9.875 2.809 -32.048 1.00 7.23 H new ATOM 0 HG3 ARG A 38 -9.239 4.309 -32.694 1.00 7.23 H new ATOM 0 HD2 ARG A 38 -7.231 2.151 -32.629 1.00 7.49 H new ATOM 0 HD3 ARG A 38 -8.633 1.743 -33.598 1.00 7.49 H new ATOM 0 HE ARG A 38 -6.564 3.634 -34.277 1.00 7.97 H new ATOM 0 HH11 ARG A 38 -10.047 3.058 -34.561 1.00 8.41 H new ATOM 0 HH12 ARG A 38 -10.195 4.009 -36.043 1.00 8.41 H new ATOM 0 HH21 ARG A 38 -6.775 4.850 -36.176 1.00 9.03 H new ATOM 0 HH22 ARG A 38 -8.354 5.017 -36.951 1.00 9.03 H new ATOM 617 N THR A 39 -11.173 4.256 -28.673 1.00 6.54 N ATOM 618 CA THR A 39 -12.346 5.116 -28.563 1.00 6.69 C ATOM 619 C THR A 39 -11.964 6.582 -28.734 1.00 6.62 C ATOM 620 O THR A 39 -12.164 7.166 -29.799 1.00 6.68 O ATOM 621 CB THR A 39 -13.029 4.909 -27.211 1.00 6.74 C ATOM 622 OG1 THR A 39 -13.690 3.657 -27.169 1.00 6.84 O ATOM 623 CG2 THR A 39 -14.049 5.978 -26.885 1.00 7.14 C ATOM 0 H THR A 39 -11.069 3.586 -27.911 1.00 6.54 H new ATOM 0 HA THR A 39 -13.040 4.846 -29.359 1.00 6.69 H new ATOM 0 HB THR A 39 -12.228 4.958 -26.473 1.00 6.74 H new ATOM 0 HG1 THR A 39 -13.026 2.936 -27.178 1.00 6.84 H new ATOM 0 HG21 THR A 39 -14.495 5.770 -25.913 1.00 7.14 H new ATOM 0 HG22 THR A 39 -13.560 6.952 -26.859 1.00 7.14 H new ATOM 0 HG23 THR A 39 -14.827 5.983 -27.648 1.00 7.14 H new ATOM 631 N GLU A 40 -11.416 7.173 -27.677 1.00 6.80 N ATOM 632 CA GLU A 40 -11.007 8.572 -27.711 1.00 6.99 C ATOM 633 C GLU A 40 -9.487 8.697 -27.682 1.00 6.54 C ATOM 634 O GLU A 40 -8.943 9.657 -27.136 1.00 6.77 O ATOM 635 CB GLU A 40 -11.615 9.332 -26.530 1.00 7.43 C ATOM 636 CG GLU A 40 -13.132 9.408 -26.574 1.00 7.92 C ATOM 637 CD GLU A 40 -13.753 9.445 -25.190 1.00 8.54 C ATOM 638 OE1 GLU A 40 -13.137 8.903 -24.248 1.00 9.10 O ATOM 639 OE2 GLU A 40 -14.854 10.018 -25.049 1.00 8.71 O ATOM 0 H GLU A 40 -11.245 6.705 -26.787 1.00 6.80 H new ATOM 0 HA GLU A 40 -11.371 9.008 -28.641 1.00 6.99 H new ATOM 0 HB2 GLU A 40 -11.310 8.849 -25.602 1.00 7.43 H new ATOM 0 HB3 GLU A 40 -11.209 10.343 -26.511 1.00 7.43 H new ATOM 0 HG2 GLU A 40 -13.432 10.298 -27.127 1.00 7.92 H new ATOM 0 HG3 GLU A 40 -13.520 8.548 -27.120 1.00 7.92 H new ATOM 646 N ALA A 41 -8.807 7.720 -28.274 1.00 6.13 N ATOM 647 CA ALA A 41 -7.351 7.721 -28.317 1.00 5.94 C ATOM 648 C ALA A 41 -6.760 7.503 -26.928 1.00 5.40 C ATOM 649 O ALA A 41 -7.363 7.871 -25.920 1.00 5.44 O ATOM 650 CB ALA A 41 -6.841 9.026 -28.911 1.00 6.51 C ATOM 0 H ALA A 41 -9.242 6.918 -28.730 1.00 6.13 H new ATOM 0 HA ALA A 41 -7.031 6.896 -28.953 1.00 5.94 H new ATOM 0 HB1 ALA A 41 -5.751 9.013 -28.937 1.00 6.51 H new ATOM 0 HB2 ALA A 41 -7.227 9.140 -29.924 1.00 6.51 H new ATOM 0 HB3 ALA A 41 -7.179 9.861 -28.298 1.00 6.51 H new ATOM 656 N PRO A 42 -5.563 6.900 -26.860 1.00 5.27 N ATOM 657 CA PRO A 42 -4.882 6.631 -25.590 1.00 5.11 C ATOM 658 C PRO A 42 -4.354 7.903 -24.932 1.00 4.87 C ATOM 659 O PRO A 42 -4.183 7.957 -23.715 1.00 5.35 O ATOM 660 CB PRO A 42 -3.724 5.719 -25.996 1.00 5.53 C ATOM 661 CG PRO A 42 -3.451 6.065 -27.418 1.00 5.93 C ATOM 662 CD PRO A 42 -4.780 6.434 -28.019 1.00 5.75 C ATOM 0 HA PRO A 42 -5.553 6.189 -24.854 1.00 5.11 H new ATOM 0 HB2 PRO A 42 -2.847 5.890 -25.371 1.00 5.53 H new ATOM 0 HB3 PRO A 42 -3.991 4.668 -25.889 1.00 5.53 H new ATOM 0 HG2 PRO A 42 -2.747 6.894 -27.489 1.00 5.93 H new ATOM 0 HG3 PRO A 42 -3.005 5.222 -27.946 1.00 5.93 H new ATOM 0 HD2 PRO A 42 -4.677 7.214 -28.774 1.00 5.75 H new ATOM 0 HD3 PRO A 42 -5.252 5.580 -28.505 1.00 5.75 H new ATOM 670 N GLU A 43 -4.095 8.923 -25.746 1.00 4.48 N ATOM 671 CA GLU A 43 -3.584 10.193 -25.242 1.00 4.55 C ATOM 672 C GLU A 43 -4.393 10.671 -24.042 1.00 4.19 C ATOM 673 O GLU A 43 -5.585 10.958 -24.157 1.00 4.69 O ATOM 674 CB GLU A 43 -3.616 11.251 -26.346 1.00 5.41 C ATOM 675 CG GLU A 43 -3.014 12.584 -25.929 1.00 6.13 C ATOM 676 CD GLU A 43 -3.934 13.754 -26.218 1.00 6.96 C ATOM 677 OE1 GLU A 43 -5.165 13.589 -26.083 1.00 7.57 O ATOM 678 OE2 GLU A 43 -3.423 14.836 -26.577 1.00 7.23 O ATOM 0 H GLU A 43 -4.231 8.894 -26.757 1.00 4.48 H new ATOM 0 HA GLU A 43 -2.553 10.039 -24.922 1.00 4.55 H new ATOM 0 HB2 GLU A 43 -3.076 10.874 -27.215 1.00 5.41 H new ATOM 0 HB3 GLU A 43 -4.649 11.409 -26.656 1.00 5.41 H new ATOM 0 HG2 GLU A 43 -2.788 12.559 -24.863 1.00 6.13 H new ATOM 0 HG3 GLU A 43 -2.069 12.731 -26.452 1.00 6.13 H new ATOM 685 N GLY A 44 -3.736 10.756 -22.891 1.00 3.68 N ATOM 686 CA GLY A 44 -4.406 11.200 -21.684 1.00 3.54 C ATOM 687 C GLY A 44 -3.470 11.924 -20.738 1.00 3.04 C ATOM 688 O GLY A 44 -3.387 11.584 -19.557 1.00 3.12 O ATOM 0 H GLY A 44 -2.750 10.525 -22.773 1.00 3.68 H new ATOM 0 HA2 GLY A 44 -5.231 11.861 -21.951 1.00 3.54 H new ATOM 0 HA3 GLY A 44 -4.839 10.339 -21.174 1.00 3.54 H new ATOM 692 N THR A 45 -2.763 12.922 -21.258 1.00 2.96 N ATOM 693 CA THR A 45 -1.827 13.699 -20.454 1.00 2.66 C ATOM 694 C THR A 45 -2.464 14.130 -19.136 1.00 2.34 C ATOM 695 O THR A 45 -1.777 14.296 -18.129 1.00 2.51 O ATOM 696 CB THR A 45 -1.353 14.928 -21.230 1.00 3.12 C ATOM 697 OG1 THR A 45 -2.409 15.859 -21.387 1.00 3.75 O ATOM 698 CG2 THR A 45 -0.825 14.598 -22.609 1.00 3.41 C ATOM 0 H THR A 45 -2.821 13.212 -22.234 1.00 2.96 H new ATOM 0 HA THR A 45 -0.969 13.065 -20.230 1.00 2.66 H new ATOM 0 HB THR A 45 -0.540 15.348 -20.638 1.00 3.12 H new ATOM 0 HG1 THR A 45 -2.086 16.639 -21.884 1.00 3.75 H new ATOM 0 HG21 THR A 45 -0.506 15.514 -23.105 1.00 3.41 H new ATOM 0 HG22 THR A 45 0.023 13.919 -22.521 1.00 3.41 H new ATOM 0 HG23 THR A 45 -1.611 14.123 -23.196 1.00 3.41 H new ATOM 706 N GLU A 46 -3.781 14.311 -19.150 1.00 2.22 N ATOM 707 CA GLU A 46 -4.509 14.723 -17.957 1.00 2.10 C ATOM 708 C GLU A 46 -4.214 13.793 -16.784 1.00 1.55 C ATOM 709 O GLU A 46 -3.512 14.165 -15.846 1.00 1.75 O ATOM 710 CB GLU A 46 -6.012 14.749 -18.236 1.00 2.49 C ATOM 711 CG GLU A 46 -6.538 16.125 -18.612 1.00 2.71 C ATOM 712 CD GLU A 46 -7.974 16.088 -19.096 1.00 3.04 C ATOM 713 OE1 GLU A 46 -8.885 15.986 -18.247 1.00 3.51 O ATOM 714 OE2 GLU A 46 -8.189 16.161 -20.324 1.00 3.36 O ATOM 0 H GLU A 46 -4.365 14.178 -19.975 1.00 2.22 H new ATOM 0 HA GLU A 46 -4.177 15.726 -17.691 1.00 2.10 H new ATOM 0 HB2 GLU A 46 -6.235 14.051 -19.043 1.00 2.49 H new ATOM 0 HB3 GLU A 46 -6.543 14.395 -17.352 1.00 2.49 H new ATOM 0 HG2 GLU A 46 -6.467 16.786 -17.748 1.00 2.71 H new ATOM 0 HG3 GLU A 46 -5.907 16.551 -19.392 1.00 2.71 H new ATOM 721 N SER A 47 -4.758 12.582 -16.846 1.00 1.27 N ATOM 722 CA SER A 47 -4.556 11.597 -15.788 1.00 0.84 C ATOM 723 C SER A 47 -3.147 10.994 -15.825 1.00 0.71 C ATOM 724 O SER A 47 -2.782 10.215 -14.948 1.00 0.78 O ATOM 725 CB SER A 47 -5.596 10.482 -15.902 1.00 1.01 C ATOM 726 OG SER A 47 -6.470 10.481 -14.787 1.00 1.59 O ATOM 0 H SER A 47 -5.342 12.259 -17.617 1.00 1.27 H new ATOM 0 HA SER A 47 -4.672 12.115 -14.836 1.00 0.84 H new ATOM 0 HB2 SER A 47 -6.172 10.610 -16.819 1.00 1.01 H new ATOM 0 HB3 SER A 47 -5.093 9.518 -15.974 1.00 1.01 H new ATOM 0 HG SER A 47 -7.126 9.760 -14.886 1.00 1.59 H new ATOM 732 N GLU A 48 -2.354 11.347 -16.838 1.00 0.68 N ATOM 733 CA GLU A 48 -0.998 10.822 -16.954 1.00 0.67 C ATOM 734 C GLU A 48 -0.112 11.345 -15.830 1.00 0.57 C ATOM 735 O GLU A 48 0.626 10.585 -15.204 1.00 0.63 O ATOM 736 CB GLU A 48 -0.398 11.200 -18.310 1.00 0.85 C ATOM 737 CG GLU A 48 1.080 10.869 -18.434 1.00 1.47 C ATOM 738 CD GLU A 48 1.964 12.097 -18.334 1.00 1.76 C ATOM 739 OE1 GLU A 48 1.728 13.061 -19.092 1.00 2.28 O ATOM 740 OE2 GLU A 48 2.890 12.094 -17.497 1.00 2.15 O ATOM 0 H GLU A 48 -2.627 11.989 -17.583 1.00 0.68 H new ATOM 0 HA GLU A 48 -1.048 9.736 -16.875 1.00 0.67 H new ATOM 0 HB2 GLU A 48 -0.945 10.682 -19.097 1.00 0.85 H new ATOM 0 HB3 GLU A 48 -0.538 12.268 -18.475 1.00 0.85 H new ATOM 0 HG2 GLU A 48 1.357 10.162 -17.652 1.00 1.47 H new ATOM 0 HG3 GLU A 48 1.259 10.374 -19.389 1.00 1.47 H new ATOM 747 N VAL A 89 -0.190 12.647 -15.579 1.00 0.58 N ATOM 748 CA VAL A 89 0.606 13.271 -14.529 1.00 0.57 C ATOM 749 C VAL A 89 0.346 12.615 -13.179 1.00 0.52 C ATOM 750 O VAL A 89 1.239 12.535 -12.335 1.00 0.60 O ATOM 751 CB VAL A 89 0.309 14.779 -14.419 1.00 0.65 C ATOM 752 CG1 VAL A 89 0.681 15.492 -15.711 1.00 1.49 C ATOM 753 CG2 VAL A 89 -1.155 15.010 -14.075 1.00 1.09 C ATOM 0 H VAL A 89 -0.796 13.290 -16.088 1.00 0.58 H new ATOM 0 HA VAL A 89 1.652 13.133 -14.802 1.00 0.57 H new ATOM 0 HB VAL A 89 0.917 15.194 -13.615 1.00 0.65 H new ATOM 0 HG11 VAL A 89 0.464 16.556 -15.615 1.00 1.49 H new ATOM 0 HG12 VAL A 89 1.744 15.355 -15.909 1.00 1.49 H new ATOM 0 HG13 VAL A 89 0.101 15.077 -16.536 1.00 1.49 H new ATOM 0 HG21 VAL A 89 -1.347 16.080 -14.001 1.00 1.09 H new ATOM 0 HG22 VAL A 89 -1.784 14.581 -14.855 1.00 1.09 H new ATOM 0 HG23 VAL A 89 -1.384 14.534 -13.122 1.00 1.09 H new ATOM 763 N VAL A 90 -0.881 12.144 -12.978 1.00 0.46 N ATOM 764 CA VAL A 90 -1.246 11.495 -11.722 1.00 0.46 C ATOM 765 C VAL A 90 -0.734 10.059 -11.672 1.00 0.48 C ATOM 766 O VAL A 90 -0.345 9.568 -10.613 1.00 0.59 O ATOM 767 CB VAL A 90 -2.771 11.501 -11.465 1.00 0.48 C ATOM 768 CG1 VAL A 90 -3.458 12.622 -12.231 1.00 0.52 C ATOM 769 CG2 VAL A 90 -3.383 10.152 -11.810 1.00 0.55 C ATOM 0 H VAL A 90 -1.635 12.198 -13.663 1.00 0.46 H new ATOM 0 HA VAL A 90 -0.770 12.081 -10.936 1.00 0.46 H new ATOM 0 HB VAL A 90 -2.928 11.684 -10.402 1.00 0.48 H new ATOM 0 HG11 VAL A 90 -4.529 12.598 -12.028 1.00 0.52 H new ATOM 0 HG12 VAL A 90 -3.050 13.582 -11.915 1.00 0.52 H new ATOM 0 HG13 VAL A 90 -3.288 12.490 -13.300 1.00 0.52 H new ATOM 0 HG21 VAL A 90 -4.456 10.180 -11.621 1.00 0.55 H new ATOM 0 HG22 VAL A 90 -3.205 9.930 -12.862 1.00 0.55 H new ATOM 0 HG23 VAL A 90 -2.927 9.377 -11.194 1.00 0.55 H new ATOM 779 N HIS A 91 -0.738 9.390 -12.819 1.00 0.47 N ATOM 780 CA HIS A 91 -0.274 8.010 -12.895 1.00 0.51 C ATOM 781 C HIS A 91 1.183 7.910 -12.462 1.00 0.57 C ATOM 782 O HIS A 91 1.535 7.077 -11.630 1.00 0.82 O ATOM 783 CB HIS A 91 -0.436 7.471 -14.318 1.00 0.56 C ATOM 784 CG HIS A 91 -1.859 7.184 -14.688 1.00 0.86 C ATOM 785 ND1 HIS A 91 -2.914 7.367 -13.820 1.00 0.88 N ATOM 786 CD2 HIS A 91 -2.398 6.724 -15.843 1.00 1.53 C ATOM 787 CE1 HIS A 91 -4.041 7.031 -14.424 1.00 1.28 C ATOM 788 NE2 HIS A 91 -3.755 6.638 -15.651 1.00 1.76 N ATOM 0 H HIS A 91 -1.056 9.779 -13.706 1.00 0.47 H new ATOM 0 HA HIS A 91 -0.881 7.408 -12.219 1.00 0.51 H new ATOM 0 HB2 HIS A 91 -0.024 8.195 -15.022 1.00 0.56 H new ATOM 0 HB3 HIS A 91 0.150 6.558 -14.421 1.00 0.56 H new ATOM 0 HD2 HIS A 91 -1.861 6.472 -16.746 1.00 1.53 H new ATOM 0 HE1 HIS A 91 -5.028 7.071 -13.987 1.00 1.28 H new ATOM 0 HE2 HIS A 91 -4.433 6.321 -16.345 1.00 1.76 H new ATOM 796 N LEU A 92 2.025 8.771 -13.025 1.00 0.50 N ATOM 797 CA LEU A 92 3.445 8.780 -12.691 1.00 0.54 C ATOM 798 C LEU A 92 3.653 9.040 -11.204 1.00 0.53 C ATOM 799 O LEU A 92 4.531 8.451 -10.581 1.00 0.60 O ATOM 800 CB LEU A 92 4.178 9.841 -13.514 1.00 0.60 C ATOM 801 CG LEU A 92 4.548 9.415 -14.935 1.00 1.26 C ATOM 802 CD1 LEU A 92 4.887 10.629 -15.786 1.00 2.14 C ATOM 803 CD2 LEU A 92 5.714 8.437 -14.911 1.00 2.01 C ATOM 0 H LEU A 92 1.749 9.471 -13.714 1.00 0.50 H new ATOM 0 HA LEU A 92 3.854 7.798 -12.930 1.00 0.54 H new ATOM 0 HB2 LEU A 92 3.553 10.732 -13.569 1.00 0.60 H new ATOM 0 HB3 LEU A 92 5.089 10.123 -12.986 1.00 0.60 H new ATOM 0 HG LEU A 92 3.688 8.915 -15.379 1.00 1.26 H new ATOM 0 HD11 LEU A 92 5.148 10.306 -16.794 1.00 2.14 H new ATOM 0 HD12 LEU A 92 4.025 11.295 -15.830 1.00 2.14 H new ATOM 0 HD13 LEU A 92 5.732 11.158 -15.345 1.00 2.14 H new ATOM 0 HD21 LEU A 92 5.964 8.144 -15.931 1.00 2.01 H new ATOM 0 HD22 LEU A 92 6.578 8.913 -14.448 1.00 2.01 H new ATOM 0 HD23 LEU A 92 5.436 7.553 -14.338 1.00 2.01 H new ATOM 815 N THR A 93 2.839 9.926 -10.642 1.00 0.49 N ATOM 816 CA THR A 93 2.939 10.267 -9.227 1.00 0.51 C ATOM 817 C THR A 93 2.559 9.084 -8.342 1.00 0.48 C ATOM 818 O THR A 93 3.300 8.719 -7.429 1.00 0.59 O ATOM 819 CB THR A 93 2.043 11.464 -8.907 1.00 0.53 C ATOM 820 OG1 THR A 93 2.069 12.407 -9.964 1.00 0.94 O ATOM 821 CG2 THR A 93 2.441 12.186 -7.638 1.00 1.06 C ATOM 0 H THR A 93 2.102 10.422 -11.144 1.00 0.49 H new ATOM 0 HA THR A 93 3.977 10.527 -9.020 1.00 0.51 H new ATOM 0 HB THR A 93 1.044 11.049 -8.772 1.00 0.53 H new ATOM 0 HG1 THR A 93 1.456 12.121 -10.673 1.00 0.94 H new ATOM 0 HG21 THR A 93 1.765 13.024 -7.469 1.00 1.06 H new ATOM 0 HG22 THR A 93 2.383 11.498 -6.795 1.00 1.06 H new ATOM 0 HG23 THR A 93 3.462 12.556 -7.735 1.00 1.06 H new ATOM 829 N LEU A 94 1.400 8.495 -8.612 1.00 0.43 N ATOM 830 CA LEU A 94 0.920 7.359 -7.832 1.00 0.42 C ATOM 831 C LEU A 94 1.851 6.158 -7.970 1.00 0.44 C ATOM 832 O LEU A 94 2.248 5.554 -6.974 1.00 0.48 O ATOM 833 CB LEU A 94 -0.493 6.974 -8.274 1.00 0.42 C ATOM 834 CG LEU A 94 -1.398 6.443 -7.160 1.00 0.37 C ATOM 835 CD1 LEU A 94 -0.621 5.519 -6.236 1.00 0.30 C ATOM 836 CD2 LEU A 94 -2.008 7.596 -6.376 1.00 0.52 C ATOM 0 H LEU A 94 0.775 8.784 -9.364 1.00 0.43 H new ATOM 0 HA LEU A 94 0.902 7.658 -6.784 1.00 0.42 H new ATOM 0 HB2 LEU A 94 -0.968 7.847 -8.722 1.00 0.42 H new ATOM 0 HB3 LEU A 94 -0.419 6.216 -9.054 1.00 0.42 H new ATOM 0 HG LEU A 94 -2.206 5.871 -7.615 1.00 0.37 H new ATOM 0 HD11 LEU A 94 -1.281 5.151 -5.450 1.00 0.30 H new ATOM 0 HD12 LEU A 94 -0.232 4.676 -6.807 1.00 0.30 H new ATOM 0 HD13 LEU A 94 0.208 6.066 -5.787 1.00 0.30 H new ATOM 0 HD21 LEU A 94 -2.649 7.201 -5.588 1.00 0.52 H new ATOM 0 HD22 LEU A 94 -1.213 8.195 -5.932 1.00 0.52 H new ATOM 0 HD23 LEU A 94 -2.600 8.219 -7.047 1.00 0.52 H new ATOM 848 N ARG A 95 2.190 5.811 -9.207 1.00 0.46 N ATOM 849 CA ARG A 95 3.067 4.675 -9.465 1.00 0.51 C ATOM 850 C ARG A 95 4.457 4.901 -8.877 1.00 0.55 C ATOM 851 O ARG A 95 5.032 4.002 -8.263 1.00 0.66 O ATOM 852 CB ARG A 95 3.177 4.408 -10.968 1.00 0.55 C ATOM 853 CG ARG A 95 2.729 3.014 -11.372 1.00 1.48 C ATOM 854 CD ARG A 95 3.880 2.201 -11.938 1.00 1.64 C ATOM 855 NE ARG A 95 4.976 2.062 -10.981 1.00 2.22 N ATOM 856 CZ ARG A 95 4.980 1.186 -9.978 1.00 2.62 C ATOM 857 NH1 ARG A 95 3.952 0.366 -9.792 1.00 2.72 N ATOM 858 NH2 ARG A 95 6.018 1.129 -9.154 1.00 3.36 N ATOM 0 H ARG A 95 1.872 6.299 -10.044 1.00 0.46 H new ATOM 0 HA ARG A 95 2.626 3.804 -8.979 1.00 0.51 H new ATOM 0 HB2 ARG A 95 2.577 5.143 -11.504 1.00 0.55 H new ATOM 0 HB3 ARG A 95 4.211 4.553 -11.280 1.00 0.55 H new ATOM 0 HG2 ARG A 95 2.310 2.500 -10.507 1.00 1.48 H new ATOM 0 HG3 ARG A 95 1.934 3.087 -12.114 1.00 1.48 H new ATOM 0 HD2 ARG A 95 3.520 1.212 -12.223 1.00 1.64 H new ATOM 0 HD3 ARG A 95 4.250 2.679 -12.845 1.00 1.64 H new ATOM 0 HE ARG A 95 5.786 2.672 -11.088 1.00 2.22 H new ATOM 0 HH11 ARG A 95 3.149 0.404 -10.420 1.00 2.72 H new ATOM 0 HH12 ARG A 95 3.965 -0.301 -9.021 1.00 2.72 H new ATOM 0 HH21 ARG A 95 6.811 1.756 -9.289 1.00 3.36 H new ATOM 0 HH22 ARG A 95 6.023 0.459 -8.385 1.00 3.36 H new ATOM 872 N GLN A 96 4.998 6.100 -9.073 1.00 0.57 N ATOM 873 CA GLN A 96 6.326 6.421 -8.563 1.00 0.64 C ATOM 874 C GLN A 96 6.314 6.607 -7.048 1.00 0.54 C ATOM 875 O GLN A 96 7.175 6.078 -6.347 1.00 0.53 O ATOM 876 CB GLN A 96 6.881 7.678 -9.242 1.00 0.89 C ATOM 877 CG GLN A 96 6.403 8.980 -8.616 1.00 1.14 C ATOM 878 CD GLN A 96 6.837 10.199 -9.407 1.00 1.66 C ATOM 879 OE1 GLN A 96 6.005 10.966 -9.893 1.00 2.31 O ATOM 880 NE2 GLN A 96 8.145 10.385 -9.538 1.00 2.17 N ATOM 0 H GLN A 96 4.541 6.860 -9.577 1.00 0.57 H new ATOM 0 HA GLN A 96 6.976 5.578 -8.796 1.00 0.64 H new ATOM 0 HB2 GLN A 96 7.970 7.647 -9.206 1.00 0.89 H new ATOM 0 HB3 GLN A 96 6.596 7.666 -10.294 1.00 0.89 H new ATOM 0 HG2 GLN A 96 5.316 8.967 -8.543 1.00 1.14 H new ATOM 0 HG3 GLN A 96 6.790 9.054 -7.600 1.00 1.14 H new ATOM 0 HE21 GLN A 96 8.799 9.724 -9.118 1.00 2.17 H new ATOM 0 HE22 GLN A 96 8.496 11.189 -10.058 1.00 2.17 H new ATOM 889 N ALA A 97 5.337 7.357 -6.543 1.00 0.60 N ATOM 890 CA ALA A 97 5.235 7.596 -5.110 1.00 0.70 C ATOM 891 C ALA A 97 4.966 6.293 -4.365 1.00 0.67 C ATOM 892 O ALA A 97 5.636 5.976 -3.383 1.00 0.79 O ATOM 893 CB ALA A 97 4.138 8.609 -4.806 1.00 0.84 C ATOM 0 H ALA A 97 4.611 7.806 -7.102 1.00 0.60 H new ATOM 0 HA ALA A 97 6.187 8.004 -4.769 1.00 0.70 H new ATOM 0 HB1 ALA A 97 4.081 8.771 -3.730 1.00 0.84 H new ATOM 0 HB2 ALA A 97 4.365 9.552 -5.303 1.00 0.84 H new ATOM 0 HB3 ALA A 97 3.182 8.230 -5.167 1.00 0.84 H new ATOM 899 N GLY A 98 3.978 5.539 -4.841 1.00 0.62 N ATOM 900 CA GLY A 98 3.637 4.277 -4.212 1.00 0.80 C ATOM 901 C GLY A 98 4.850 3.398 -3.987 1.00 0.90 C ATOM 902 O GLY A 98 5.114 2.966 -2.864 1.00 1.24 O ATOM 0 H GLY A 98 3.408 5.781 -5.652 1.00 0.62 H new ATOM 0 HA2 GLY A 98 3.149 4.470 -3.256 1.00 0.80 H new ATOM 0 HA3 GLY A 98 2.917 3.746 -4.835 1.00 0.80 H new ATOM 906 N ASP A 99 5.594 3.134 -5.057 1.00 0.79 N ATOM 907 CA ASP A 99 6.789 2.304 -4.971 1.00 0.94 C ATOM 908 C ASP A 99 7.825 2.943 -4.052 1.00 0.87 C ATOM 909 O ASP A 99 8.576 2.248 -3.367 1.00 0.93 O ATOM 910 CB ASP A 99 7.388 2.088 -6.363 1.00 1.11 C ATOM 911 CG ASP A 99 8.671 2.870 -6.567 1.00 1.52 C ATOM 912 OD1 ASP A 99 9.750 2.341 -6.225 1.00 2.18 O ATOM 913 OD2 ASP A 99 8.597 4.010 -7.071 1.00 1.94 O ATOM 0 H ASP A 99 5.390 3.483 -5.993 1.00 0.79 H new ATOM 0 HA ASP A 99 6.503 1.338 -4.554 1.00 0.94 H new ATOM 0 HB2 ASP A 99 7.585 1.026 -6.510 1.00 1.11 H new ATOM 0 HB3 ASP A 99 6.661 2.385 -7.119 1.00 1.11 H new ATOM 918 N ASP A 100 7.857 4.272 -4.040 1.00 0.80 N ATOM 919 CA ASP A 100 8.797 5.008 -3.203 1.00 0.84 C ATOM 920 C ASP A 100 8.538 4.729 -1.725 1.00 0.82 C ATOM 921 O ASP A 100 9.466 4.482 -0.956 1.00 0.93 O ATOM 922 CB ASP A 100 8.687 6.509 -3.475 1.00 0.89 C ATOM 923 CG ASP A 100 9.769 7.008 -4.413 1.00 1.21 C ATOM 924 OD1 ASP A 100 10.957 6.722 -4.154 1.00 1.89 O ATOM 925 OD2 ASP A 100 9.428 7.686 -5.405 1.00 1.65 O ATOM 0 H ASP A 100 7.242 4.861 -4.601 1.00 0.80 H new ATOM 0 HA ASP A 100 9.805 4.674 -3.449 1.00 0.84 H new ATOM 0 HB2 ASP A 100 7.709 6.727 -3.904 1.00 0.89 H new ATOM 0 HB3 ASP A 100 8.749 7.052 -2.532 1.00 0.89 H new ATOM 930 N PHE A 101 7.268 4.773 -1.339 1.00 0.76 N ATOM 931 CA PHE A 101 6.873 4.526 0.045 1.00 0.82 C ATOM 932 C PHE A 101 7.295 3.133 0.504 1.00 0.90 C ATOM 933 O PHE A 101 7.939 2.971 1.540 1.00 1.10 O ATOM 934 CB PHE A 101 5.358 4.579 0.160 1.00 0.90 C ATOM 935 CG PHE A 101 4.779 3.523 1.058 1.00 0.72 C ATOM 936 CD1 PHE A 101 4.818 3.675 2.437 1.00 1.10 C ATOM 937 CD2 PHE A 101 4.192 2.385 0.529 1.00 1.30 C ATOM 938 CE1 PHE A 101 4.282 2.709 3.268 1.00 1.14 C ATOM 939 CE2 PHE A 101 3.656 1.417 1.356 1.00 1.41 C ATOM 940 CZ PHE A 101 3.701 1.580 2.726 1.00 0.94 C ATOM 0 H PHE A 101 6.491 4.978 -1.967 1.00 0.76 H new ATOM 0 HA PHE A 101 7.356 5.287 0.658 1.00 0.82 H new ATOM 0 HB2 PHE A 101 5.066 5.560 0.534 1.00 0.90 H new ATOM 0 HB3 PHE A 101 4.924 4.475 -0.834 1.00 0.90 H new ATOM 0 HD1 PHE A 101 5.272 4.557 2.865 1.00 1.10 H new ATOM 0 HD2 PHE A 101 4.153 2.253 -0.542 1.00 1.30 H new ATOM 0 HE1 PHE A 101 4.318 2.837 4.340 1.00 1.14 H new ATOM 0 HE2 PHE A 101 3.202 0.534 0.931 1.00 1.41 H new ATOM 0 HZ PHE A 101 3.282 0.824 3.374 1.00 0.94 H new ATOM 950 N SER A 102 6.896 2.128 -0.277 1.00 0.92 N ATOM 951 CA SER A 102 7.194 0.736 0.040 1.00 1.05 C ATOM 952 C SER A 102 8.697 0.528 0.196 1.00 1.03 C ATOM 953 O SER A 102 9.142 -0.272 1.020 1.00 1.11 O ATOM 954 CB SER A 102 6.650 -0.186 -1.051 1.00 1.13 C ATOM 955 OG SER A 102 7.655 -0.505 -1.999 1.00 1.55 O ATOM 0 H SER A 102 6.363 2.256 -1.137 1.00 0.92 H new ATOM 0 HA SER A 102 6.709 0.491 0.985 1.00 1.05 H new ATOM 0 HB2 SER A 102 6.268 -1.102 -0.600 1.00 1.13 H new ATOM 0 HB3 SER A 102 5.812 0.296 -1.554 1.00 1.13 H new ATOM 0 HG SER A 102 7.972 0.317 -2.429 1.00 1.55 H new ATOM 961 N ARG A 103 9.473 1.256 -0.599 1.00 0.99 N ATOM 962 CA ARG A 103 10.927 1.156 -0.551 1.00 1.02 C ATOM 963 C ARG A 103 11.463 1.634 0.796 1.00 1.05 C ATOM 964 O ARG A 103 12.492 1.156 1.273 1.00 1.10 O ATOM 965 CB ARG A 103 11.554 1.975 -1.681 1.00 1.04 C ATOM 966 CG ARG A 103 11.612 1.236 -3.008 1.00 1.29 C ATOM 967 CD ARG A 103 13.038 0.859 -3.373 1.00 1.63 C ATOM 968 NE ARG A 103 13.085 -0.205 -4.373 1.00 2.15 N ATOM 969 CZ ARG A 103 14.179 -0.536 -5.056 1.00 2.57 C ATOM 970 NH1 ARG A 103 15.323 0.109 -4.853 1.00 2.68 N ATOM 971 NH2 ARG A 103 14.131 -1.516 -5.947 1.00 3.43 N ATOM 0 H ARG A 103 9.119 1.923 -1.285 1.00 0.99 H new ATOM 0 HA ARG A 103 11.197 0.108 -0.678 1.00 1.02 H new ATOM 0 HB2 ARG A 103 10.984 2.895 -1.811 1.00 1.04 H new ATOM 0 HB3 ARG A 103 12.564 2.265 -1.391 1.00 1.04 H new ATOM 0 HG2 ARG A 103 11.000 0.336 -2.952 1.00 1.29 H new ATOM 0 HG3 ARG A 103 11.188 1.862 -3.793 1.00 1.29 H new ATOM 0 HD2 ARG A 103 13.559 1.737 -3.754 1.00 1.63 H new ATOM 0 HD3 ARG A 103 13.569 0.538 -2.477 1.00 1.63 H new ATOM 0 HE ARG A 103 12.228 -0.726 -4.559 1.00 2.15 H new ATOM 0 HH11 ARG A 103 15.368 0.865 -4.169 1.00 2.68 H new ATOM 0 HH12 ARG A 103 16.156 -0.152 -5.381 1.00 2.68 H new ATOM 0 HH21 ARG A 103 13.257 -2.016 -6.109 1.00 3.43 H new ATOM 0 HH22 ARG A 103 14.968 -1.770 -6.471 1.00 3.43 H new ATOM 985 N ARG A 104 10.757 2.583 1.398 1.00 1.05 N ATOM 986 CA ARG A 104 11.150 3.140 2.689 1.00 1.13 C ATOM 987 C ARG A 104 10.788 2.219 3.855 1.00 1.18 C ATOM 988 O ARG A 104 11.233 2.432 4.982 1.00 1.28 O ATOM 989 CB ARG A 104 10.493 4.507 2.891 1.00 1.10 C ATOM 990 CG ARG A 104 11.112 5.610 2.049 1.00 1.55 C ATOM 991 CD ARG A 104 10.587 6.979 2.452 1.00 2.03 C ATOM 992 NE ARG A 104 11.654 7.975 2.522 1.00 2.59 N ATOM 993 CZ ARG A 104 11.477 9.227 2.942 1.00 2.85 C ATOM 994 NH1 ARG A 104 10.278 9.644 3.332 1.00 2.76 N ATOM 995 NH2 ARG A 104 12.504 10.065 2.971 1.00 3.73 N ATOM 0 H ARG A 104 9.904 2.986 1.011 1.00 1.05 H new ATOM 0 HA ARG A 104 12.235 3.245 2.677 1.00 1.13 H new ATOM 0 HB2 ARG A 104 9.433 4.430 2.651 1.00 1.10 H new ATOM 0 HB3 ARG A 104 10.563 4.782 3.943 1.00 1.10 H new ATOM 0 HG2 ARG A 104 12.196 5.588 2.159 1.00 1.55 H new ATOM 0 HG3 ARG A 104 10.894 5.431 0.996 1.00 1.55 H new ATOM 0 HD2 ARG A 104 9.834 7.304 1.734 1.00 2.03 H new ATOM 0 HD3 ARG A 104 10.094 6.907 3.421 1.00 2.03 H new ATOM 0 HE ARG A 104 12.591 7.695 2.232 1.00 2.59 H new ATOM 0 HH11 ARG A 104 9.484 9.004 3.311 1.00 2.76 H new ATOM 0 HH12 ARG A 104 10.151 10.604 3.652 1.00 2.76 H new ATOM 0 HH21 ARG A 104 13.427 9.751 2.672 1.00 3.73 H new ATOM 0 HH22 ARG A 104 12.371 11.024 3.292 1.00 3.73 H new ATOM 1009 N TYR A 105 9.945 1.230 3.591 1.00 1.15 N ATOM 1010 CA TYR A 105 9.481 0.318 4.624 1.00 1.24 C ATOM 1011 C TYR A 105 9.854 -1.125 4.292 1.00 1.11 C ATOM 1012 O TYR A 105 9.114 -1.840 3.616 1.00 1.65 O ATOM 1013 CB TYR A 105 7.969 0.547 4.731 1.00 1.47 C ATOM 1014 CG TYR A 105 7.587 1.716 5.634 1.00 1.71 C ATOM 1015 CD1 TYR A 105 7.669 1.587 7.016 1.00 2.34 C ATOM 1016 CD2 TYR A 105 7.149 2.950 5.118 1.00 1.96 C ATOM 1017 CE1 TYR A 105 7.333 2.632 7.856 1.00 2.65 C ATOM 1018 CE2 TYR A 105 6.815 3.994 5.959 1.00 2.22 C ATOM 1019 CZ TYR A 105 6.908 3.831 7.324 1.00 2.35 C ATOM 1020 OH TYR A 105 6.574 4.870 8.161 1.00 2.72 O ATOM 0 H TYR A 105 9.567 1.039 2.663 1.00 1.15 H new ATOM 0 HA TYR A 105 9.956 0.507 5.587 1.00 1.24 H new ATOM 0 HB2 TYR A 105 7.566 0.723 3.734 1.00 1.47 H new ATOM 0 HB3 TYR A 105 7.499 -0.361 5.109 1.00 1.47 H new ATOM 0 HD1 TYR A 105 8.002 0.652 7.442 1.00 2.34 H new ATOM 0 HD2 TYR A 105 7.073 3.083 4.049 1.00 1.96 H new ATOM 0 HE1 TYR A 105 7.403 2.510 8.927 1.00 2.65 H new ATOM 0 HE2 TYR A 105 6.482 4.935 5.548 1.00 2.22 H new ATOM 0 HH TYR A 105 6.296 5.644 7.627 1.00 2.72 H new ATOM 1030 N ARG A 106 11.040 -1.521 4.757 1.00 1.41 N ATOM 1031 CA ARG A 106 11.579 -2.855 4.509 1.00 1.46 C ATOM 1032 C ARG A 106 10.791 -3.951 5.219 1.00 1.44 C ATOM 1033 O ARG A 106 10.490 -4.986 4.625 1.00 2.06 O ATOM 1034 CB ARG A 106 13.046 -2.915 4.939 1.00 1.56 C ATOM 1035 CG ARG A 106 13.900 -3.817 4.062 1.00 1.96 C ATOM 1036 CD ARG A 106 14.803 -3.008 3.146 1.00 2.36 C ATOM 1037 NE ARG A 106 14.828 -3.546 1.788 1.00 2.86 N ATOM 1038 CZ ARG A 106 13.874 -3.330 0.884 1.00 3.59 C ATOM 1039 NH1 ARG A 106 12.815 -2.587 1.185 1.00 3.91 N ATOM 1040 NH2 ARG A 106 13.979 -3.861 -0.327 1.00 4.41 N ATOM 0 H ARG A 106 11.652 -0.925 5.315 1.00 1.41 H new ATOM 0 HA ARG A 106 11.494 -3.037 3.438 1.00 1.46 H new ATOM 0 HB2 ARG A 106 13.462 -1.908 4.924 1.00 1.56 H new ATOM 0 HB3 ARG A 106 13.100 -3.267 5.969 1.00 1.56 H new ATOM 0 HG2 ARG A 106 14.507 -4.469 4.690 1.00 1.96 H new ATOM 0 HG3 ARG A 106 13.256 -4.461 3.464 1.00 1.96 H new ATOM 0 HD2 ARG A 106 14.460 -1.974 3.120 1.00 2.36 H new ATOM 0 HD3 ARG A 106 15.815 -2.998 3.551 1.00 2.36 H new ATOM 0 HE ARG A 106 15.624 -4.122 1.516 1.00 2.86 H new ATOM 0 HH11 ARG A 106 12.728 -2.177 2.115 1.00 3.91 H new ATOM 0 HH12 ARG A 106 12.089 -2.427 0.486 1.00 3.91 H new ATOM 0 HH21 ARG A 106 14.789 -4.433 -0.564 1.00 4.41 H new ATOM 0 HH22 ARG A 106 13.250 -3.697 -1.021 1.00 4.41 H new ATOM 1054 N ARG A 107 10.482 -3.745 6.493 1.00 1.24 N ATOM 1055 CA ARG A 107 9.759 -4.754 7.258 1.00 1.39 C ATOM 1056 C ARG A 107 8.409 -4.250 7.760 1.00 1.32 C ATOM 1057 O ARG A 107 8.333 -3.539 8.762 1.00 1.98 O ATOM 1058 CB ARG A 107 10.608 -5.219 8.443 1.00 1.68 C ATOM 1059 CG ARG A 107 11.677 -4.220 8.855 1.00 2.10 C ATOM 1060 CD ARG A 107 12.441 -4.696 10.080 1.00 2.68 C ATOM 1061 NE ARG A 107 13.373 -3.686 10.575 1.00 3.25 N ATOM 1062 CZ ARG A 107 14.513 -3.362 9.967 1.00 3.84 C ATOM 1063 NH1 ARG A 107 14.864 -3.955 8.830 1.00 4.02 N ATOM 1064 NH2 ARG A 107 15.306 -2.441 10.495 1.00 4.68 N ATOM 0 H ARG A 107 10.717 -2.900 7.014 1.00 1.24 H new ATOM 0 HA ARG A 107 9.566 -5.589 6.585 1.00 1.39 H new ATOM 0 HB2 ARG A 107 9.955 -5.411 9.294 1.00 1.68 H new ATOM 0 HB3 ARG A 107 11.086 -6.165 8.188 1.00 1.68 H new ATOM 0 HG2 ARG A 107 12.371 -4.067 8.029 1.00 2.10 H new ATOM 0 HG3 ARG A 107 11.214 -3.256 9.065 1.00 2.10 H new ATOM 0 HD2 ARG A 107 11.735 -4.954 10.869 1.00 2.68 H new ATOM 0 HD3 ARG A 107 12.990 -5.605 9.833 1.00 2.68 H new ATOM 0 HE ARG A 107 13.136 -3.199 11.439 1.00 3.25 H new ATOM 0 HH11 ARG A 107 14.259 -4.664 8.417 1.00 4.02 H new ATOM 0 HH12 ARG A 107 15.739 -3.701 8.371 1.00 4.02 H new ATOM 0 HH21 ARG A 107 15.043 -1.981 11.366 1.00 4.68 H new ATOM 0 HH22 ARG A 107 16.179 -2.192 10.030 1.00 4.68 H new ATOM 1078 N ASP A 108 7.344 -4.651 7.073 1.00 1.26 N ATOM 1079 CA ASP A 108 5.992 -4.269 7.463 1.00 1.18 C ATOM 1080 C ASP A 108 4.950 -4.963 6.591 1.00 1.00 C ATOM 1081 O ASP A 108 4.236 -5.849 7.060 1.00 1.81 O ATOM 1082 CB ASP A 108 5.806 -2.765 7.422 1.00 1.49 C ATOM 1083 CG ASP A 108 6.640 -2.144 6.348 1.00 1.95 C ATOM 1084 OD1 ASP A 108 7.823 -1.844 6.617 1.00 2.62 O ATOM 1085 OD2 ASP A 108 6.116 -1.964 5.231 1.00 2.32 O ATOM 0 H ASP A 108 7.392 -5.241 6.242 1.00 1.26 H new ATOM 0 HA ASP A 108 5.847 -4.596 8.493 1.00 1.18 H new ATOM 0 HB2 ASP A 108 4.755 -2.531 7.251 1.00 1.49 H new ATOM 0 HB3 ASP A 108 6.075 -2.337 8.388 1.00 1.49 H new ATOM 1090 N PHE A 109 4.856 -4.562 5.328 1.00 0.83 N ATOM 1091 CA PHE A 109 3.887 -5.164 4.420 1.00 0.54 C ATOM 1092 C PHE A 109 4.322 -6.554 3.963 1.00 0.52 C ATOM 1093 O PHE A 109 3.507 -7.473 3.889 1.00 0.57 O ATOM 1094 CB PHE A 109 3.639 -4.265 3.203 1.00 0.66 C ATOM 1095 CG PHE A 109 4.890 -3.808 2.506 1.00 0.36 C ATOM 1096 CD1 PHE A 109 5.589 -4.664 1.669 1.00 1.16 C ATOM 1097 CD2 PHE A 109 5.360 -2.518 2.681 1.00 1.17 C ATOM 1098 CE1 PHE A 109 6.736 -4.240 1.023 1.00 1.21 C ATOM 1099 CE2 PHE A 109 6.505 -2.089 2.040 1.00 1.24 C ATOM 1100 CZ PHE A 109 7.195 -2.950 1.210 1.00 0.64 C ATOM 0 H PHE A 109 5.433 -3.830 4.913 1.00 0.83 H new ATOM 0 HA PHE A 109 2.955 -5.269 4.976 1.00 0.54 H new ATOM 0 HB2 PHE A 109 3.016 -4.804 2.489 1.00 0.66 H new ATOM 0 HB3 PHE A 109 3.074 -3.389 3.522 1.00 0.66 H new ATOM 0 HD1 PHE A 109 5.234 -5.673 1.520 1.00 1.16 H new ATOM 0 HD2 PHE A 109 4.824 -1.838 3.327 1.00 1.17 H new ATOM 0 HE1 PHE A 109 7.272 -4.916 0.373 1.00 1.21 H new ATOM 0 HE2 PHE A 109 6.861 -1.080 2.188 1.00 1.24 H new ATOM 0 HZ PHE A 109 8.091 -2.616 0.708 1.00 0.64 H new ATOM 1110 N ALA A 110 5.603 -6.701 3.648 1.00 0.56 N ATOM 1111 CA ALA A 110 6.132 -7.980 3.187 1.00 0.65 C ATOM 1112 C ALA A 110 6.157 -9.008 4.314 1.00 0.69 C ATOM 1113 O ALA A 110 5.703 -10.140 4.144 1.00 0.74 O ATOM 1114 CB ALA A 110 7.527 -7.796 2.608 1.00 0.75 C ATOM 0 H ALA A 110 6.294 -5.953 3.703 1.00 0.56 H new ATOM 0 HA ALA A 110 5.471 -8.355 2.406 1.00 0.65 H new ATOM 0 HB1 ALA A 110 7.910 -8.758 2.268 1.00 0.75 H new ATOM 0 HB2 ALA A 110 7.483 -7.105 1.766 1.00 0.75 H new ATOM 0 HB3 ALA A 110 8.189 -7.393 3.375 1.00 0.75 H new ATOM 1120 N GLU A 111 6.695 -8.609 5.463 1.00 0.75 N ATOM 1121 CA GLU A 111 6.783 -9.500 6.616 1.00 0.89 C ATOM 1122 C GLU A 111 5.422 -10.106 6.948 1.00 0.84 C ATOM 1123 O GLU A 111 5.318 -11.290 7.266 1.00 0.93 O ATOM 1124 CB GLU A 111 7.330 -8.747 7.829 1.00 1.02 C ATOM 1125 CG GLU A 111 8.407 -9.509 8.583 1.00 1.51 C ATOM 1126 CD GLU A 111 8.078 -9.688 10.051 1.00 1.83 C ATOM 1127 OE1 GLU A 111 8.312 -8.741 10.831 1.00 2.23 O ATOM 1128 OE2 GLU A 111 7.586 -10.774 10.422 1.00 2.54 O ATOM 0 H GLU A 111 7.076 -7.676 5.621 1.00 0.75 H new ATOM 0 HA GLU A 111 7.466 -10.311 6.362 1.00 0.89 H new ATOM 0 HB2 GLU A 111 7.736 -7.791 7.500 1.00 1.02 H new ATOM 0 HB3 GLU A 111 6.508 -8.526 8.510 1.00 1.02 H new ATOM 0 HG2 GLU A 111 8.543 -10.488 8.123 1.00 1.51 H new ATOM 0 HG3 GLU A 111 9.355 -8.979 8.489 1.00 1.51 H new ATOM 1135 N MET A 112 4.382 -9.284 6.875 1.00 0.74 N ATOM 1136 CA MET A 112 3.024 -9.732 7.170 1.00 0.74 C ATOM 1137 C MET A 112 2.502 -10.678 6.089 1.00 0.69 C ATOM 1138 O MET A 112 1.648 -11.524 6.354 1.00 0.73 O ATOM 1139 CB MET A 112 2.087 -8.528 7.300 1.00 0.79 C ATOM 1140 CG MET A 112 2.305 -7.718 8.570 1.00 0.67 C ATOM 1141 SD MET A 112 1.059 -6.433 8.796 1.00 1.04 S ATOM 1142 CE MET A 112 2.012 -4.959 8.429 1.00 0.84 C ATOM 0 H MET A 112 4.452 -8.301 6.613 1.00 0.74 H new ATOM 0 HA MET A 112 3.051 -10.275 8.115 1.00 0.74 H new ATOM 0 HB2 MET A 112 2.224 -7.877 6.436 1.00 0.79 H new ATOM 0 HB3 MET A 112 1.055 -8.878 7.275 1.00 0.79 H new ATOM 0 HG2 MET A 112 2.291 -8.387 9.430 1.00 0.67 H new ATOM 0 HG3 MET A 112 3.293 -7.259 8.539 1.00 0.67 H new ATOM 0 HE1 MET A 112 1.487 -4.082 8.809 1.00 0.84 H new ATOM 0 HE2 MET A 112 2.990 -5.031 8.904 1.00 0.84 H new ATOM 0 HE3 MET A 112 2.138 -4.867 7.350 1.00 0.84 H new ATOM 1152 N SER A 113 3.010 -10.524 4.870 1.00 0.69 N ATOM 1153 CA SER A 113 2.582 -11.360 3.752 1.00 0.75 C ATOM 1154 C SER A 113 2.657 -12.843 4.106 1.00 0.80 C ATOM 1155 O SER A 113 1.827 -13.635 3.665 1.00 0.86 O ATOM 1156 CB SER A 113 3.441 -11.077 2.519 1.00 0.88 C ATOM 1157 OG SER A 113 2.825 -11.572 1.343 1.00 1.64 O ATOM 0 H SER A 113 3.718 -9.829 4.631 1.00 0.69 H new ATOM 0 HA SER A 113 1.543 -11.114 3.532 1.00 0.75 H new ATOM 0 HB2 SER A 113 3.603 -10.003 2.424 1.00 0.88 H new ATOM 0 HB3 SER A 113 4.421 -11.538 2.641 1.00 0.88 H new ATOM 0 HG SER A 113 3.394 -11.377 0.569 1.00 1.64 H new ATOM 1163 N SER A 114 3.654 -13.214 4.901 1.00 0.86 N ATOM 1164 CA SER A 114 3.829 -14.606 5.306 1.00 1.02 C ATOM 1165 C SER A 114 2.552 -15.161 5.930 1.00 1.00 C ATOM 1166 O SER A 114 2.244 -16.345 5.794 1.00 1.31 O ATOM 1167 CB SER A 114 4.989 -14.729 6.296 1.00 1.19 C ATOM 1168 OG SER A 114 6.215 -14.955 5.621 1.00 2.15 O ATOM 0 H SER A 114 4.352 -12.573 5.278 1.00 0.86 H new ATOM 0 HA SER A 114 4.057 -15.189 4.414 1.00 1.02 H new ATOM 0 HB2 SER A 114 5.061 -13.819 6.892 1.00 1.19 H new ATOM 0 HB3 SER A 114 4.795 -15.548 6.988 1.00 1.19 H new ATOM 0 HG SER A 114 6.940 -15.028 6.276 1.00 2.15 H new ATOM 1174 N GLN A 115 1.816 -14.296 6.620 1.00 0.95 N ATOM 1175 CA GLN A 115 0.572 -14.691 7.273 1.00 0.98 C ATOM 1176 C GLN A 115 -0.551 -14.893 6.258 1.00 1.06 C ATOM 1177 O GLN A 115 -1.427 -15.738 6.445 1.00 1.76 O ATOM 1178 CB GLN A 115 0.158 -13.637 8.302 1.00 1.10 C ATOM 1179 CG GLN A 115 -0.579 -14.213 9.500 1.00 1.41 C ATOM 1180 CD GLN A 115 -2.017 -14.569 9.183 1.00 1.89 C ATOM 1181 OE1 GLN A 115 -2.565 -14.143 8.165 1.00 2.62 O ATOM 1182 NE2 GLN A 115 -2.640 -15.353 10.055 1.00 2.32 N ATOM 0 H GLN A 115 2.060 -13.313 6.742 1.00 0.95 H new ATOM 0 HA GLN A 115 0.748 -15.641 7.778 1.00 0.98 H new ATOM 0 HB2 GLN A 115 1.048 -13.113 8.651 1.00 1.10 H new ATOM 0 HB3 GLN A 115 -0.478 -12.897 7.816 1.00 1.10 H new ATOM 0 HG2 GLN A 115 -0.057 -15.104 9.849 1.00 1.41 H new ATOM 0 HG3 GLN A 115 -0.559 -13.491 10.316 1.00 1.41 H new ATOM 0 HE21 GLN A 115 -2.149 -15.684 10.885 1.00 2.32 H new ATOM 0 HE22 GLN A 115 -3.610 -15.625 9.894 1.00 2.32 H new ATOM 1191 N LEU A 116 -0.525 -14.100 5.194 1.00 0.83 N ATOM 1192 CA LEU A 116 -1.546 -14.172 4.153 1.00 0.90 C ATOM 1193 C LEU A 116 -1.716 -15.600 3.632 1.00 1.10 C ATOM 1194 O LEU A 116 -2.820 -16.004 3.268 1.00 1.81 O ATOM 1195 CB LEU A 116 -1.189 -13.202 3.011 1.00 1.04 C ATOM 1196 CG LEU A 116 -1.132 -13.792 1.594 1.00 0.93 C ATOM 1197 CD1 LEU A 116 -1.358 -12.700 0.560 1.00 1.53 C ATOM 1198 CD2 LEU A 116 0.203 -14.480 1.350 1.00 1.16 C ATOM 0 H LEU A 116 0.195 -13.396 5.028 1.00 0.83 H new ATOM 0 HA LEU A 116 -2.502 -13.875 4.583 1.00 0.90 H new ATOM 0 HB2 LEU A 116 -1.918 -12.392 3.013 1.00 1.04 H new ATOM 0 HB3 LEU A 116 -0.219 -12.758 3.233 1.00 1.04 H new ATOM 0 HG LEU A 116 -1.923 -14.536 1.500 1.00 0.93 H new ATOM 0 HD11 LEU A 116 -1.315 -13.131 -0.440 1.00 1.53 H new ATOM 0 HD12 LEU A 116 -2.336 -12.246 0.718 1.00 1.53 H new ATOM 0 HD13 LEU A 116 -0.585 -11.938 0.660 1.00 1.53 H new ATOM 0 HD21 LEU A 116 0.222 -14.891 0.340 1.00 1.16 H new ATOM 0 HD22 LEU A 116 1.011 -13.757 1.463 1.00 1.16 H new ATOM 0 HD23 LEU A 116 0.334 -15.286 2.072 1.00 1.16 H new ATOM 1210 N HIS A 117 -0.628 -16.359 3.586 1.00 1.32 N ATOM 1211 CA HIS A 117 -0.689 -17.732 3.095 1.00 1.60 C ATOM 1212 C HIS A 117 -1.180 -17.756 1.648 1.00 1.55 C ATOM 1213 O HIS A 117 -1.597 -16.730 1.110 1.00 2.28 O ATOM 1214 CB HIS A 117 -1.608 -18.577 3.978 1.00 2.02 C ATOM 1215 CG HIS A 117 -1.023 -19.904 4.351 1.00 2.47 C ATOM 1216 ND1 HIS A 117 -1.572 -21.107 3.959 1.00 3.13 N ATOM 1217 CD2 HIS A 117 0.074 -20.213 5.082 1.00 2.96 C ATOM 1218 CE1 HIS A 117 -0.838 -22.099 4.434 1.00 3.66 C ATOM 1219 NE2 HIS A 117 0.165 -21.582 5.118 1.00 3.55 N ATOM 0 H HIS A 117 0.299 -16.052 3.879 1.00 1.32 H new ATOM 0 HA HIS A 117 0.314 -18.156 3.133 1.00 1.60 H new ATOM 0 HB2 HIS A 117 -1.837 -18.021 4.887 1.00 2.02 H new ATOM 0 HB3 HIS A 117 -2.552 -18.738 3.457 1.00 2.02 H new ATOM 0 HD2 HIS A 117 0.751 -19.513 5.549 1.00 2.96 H new ATOM 0 HE1 HIS A 117 -1.027 -23.152 4.287 1.00 3.66 H new ATOM 0 HE2 HIS A 117 0.891 -22.114 5.597 1.00 3.55 H new ATOM 1227 N LEU A 118 -1.129 -18.927 1.018 1.00 1.22 N ATOM 1228 CA LEU A 118 -1.569 -19.070 -0.369 1.00 1.17 C ATOM 1229 C LEU A 118 -2.810 -19.961 -0.464 1.00 1.21 C ATOM 1230 O LEU A 118 -2.827 -21.079 0.049 1.00 1.63 O ATOM 1231 CB LEU A 118 -0.442 -19.651 -1.225 1.00 1.37 C ATOM 1232 CG LEU A 118 0.122 -18.701 -2.283 1.00 1.38 C ATOM 1233 CD1 LEU A 118 -0.926 -18.393 -3.339 1.00 2.12 C ATOM 1234 CD2 LEU A 118 0.620 -17.417 -1.635 1.00 1.57 C ATOM 0 H LEU A 118 -0.788 -19.789 1.444 1.00 1.22 H new ATOM 0 HA LEU A 118 -1.829 -18.080 -0.744 1.00 1.17 H new ATOM 0 HB2 LEU A 118 0.370 -19.962 -0.568 1.00 1.37 H new ATOM 0 HB3 LEU A 118 -0.810 -20.548 -1.723 1.00 1.37 H new ATOM 0 HG LEU A 118 0.965 -19.191 -2.770 1.00 1.38 H new ATOM 0 HD11 LEU A 118 -0.505 -17.716 -4.082 1.00 2.12 H new ATOM 0 HD12 LEU A 118 -1.236 -19.318 -3.825 1.00 2.12 H new ATOM 0 HD13 LEU A 118 -1.790 -17.924 -2.868 1.00 2.12 H new ATOM 0 HD21 LEU A 118 1.018 -16.753 -2.402 1.00 1.57 H new ATOM 0 HD22 LEU A 118 -0.206 -16.925 -1.121 1.00 1.57 H new ATOM 0 HD23 LEU A 118 1.405 -17.653 -0.917 1.00 1.57 H new ATOM 1246 N THR A 119 -3.842 -19.449 -1.129 1.00 1.09 N ATOM 1247 CA THR A 119 -5.097 -20.180 -1.308 1.00 1.12 C ATOM 1248 C THR A 119 -6.101 -19.306 -2.062 1.00 1.04 C ATOM 1249 O THR A 119 -6.241 -18.126 -1.757 1.00 0.97 O ATOM 1250 CB THR A 119 -5.674 -20.593 0.047 1.00 1.21 C ATOM 1251 OG1 THR A 119 -5.155 -19.778 1.082 1.00 1.36 O ATOM 1252 CG2 THR A 119 -5.383 -22.034 0.407 1.00 1.53 C ATOM 0 H THR A 119 -3.835 -18.523 -1.557 1.00 1.09 H new ATOM 0 HA THR A 119 -4.899 -21.081 -1.888 1.00 1.12 H new ATOM 0 HB THR A 119 -6.753 -20.470 -0.049 1.00 1.21 H new ATOM 0 HG1 THR A 119 -5.537 -20.057 1.940 1.00 1.36 H new ATOM 0 HG21 THR A 119 -5.820 -22.261 1.379 1.00 1.53 H new ATOM 0 HG22 THR A 119 -5.814 -22.692 -0.348 1.00 1.53 H new ATOM 0 HG23 THR A 119 -4.305 -22.188 0.449 1.00 1.53 H new ATOM 1260 N PRO A 120 -6.804 -19.859 -3.068 1.00 1.20 N ATOM 1261 CA PRO A 120 -7.777 -19.096 -3.862 1.00 1.28 C ATOM 1262 C PRO A 120 -9.070 -18.800 -3.107 1.00 1.27 C ATOM 1263 O PRO A 120 -9.772 -17.837 -3.420 1.00 1.92 O ATOM 1264 CB PRO A 120 -8.056 -20.019 -5.048 1.00 1.58 C ATOM 1265 CG PRO A 120 -7.817 -21.390 -4.519 1.00 1.62 C ATOM 1266 CD PRO A 120 -6.699 -21.260 -3.521 1.00 1.44 C ATOM 0 HA PRO A 120 -7.389 -18.115 -4.136 1.00 1.28 H new ATOM 0 HB2 PRO A 120 -9.079 -19.905 -5.407 1.00 1.58 H new ATOM 0 HB3 PRO A 120 -7.397 -19.797 -5.887 1.00 1.58 H new ATOM 0 HG2 PRO A 120 -8.716 -21.789 -4.048 1.00 1.62 H new ATOM 0 HG3 PRO A 120 -7.546 -22.076 -5.321 1.00 1.62 H new ATOM 0 HD2 PRO A 120 -6.816 -21.959 -2.693 1.00 1.44 H new ATOM 0 HD3 PRO A 120 -5.729 -21.464 -3.975 1.00 1.44 H new ATOM 1274 N PHE A 121 -9.391 -19.633 -2.124 1.00 1.36 N ATOM 1275 CA PHE A 121 -10.612 -19.457 -1.343 1.00 1.44 C ATOM 1276 C PHE A 121 -10.451 -18.371 -0.279 1.00 1.29 C ATOM 1277 O PHE A 121 -11.240 -17.429 -0.215 1.00 2.03 O ATOM 1278 CB PHE A 121 -11.010 -20.777 -0.681 1.00 1.70 C ATOM 1279 CG PHE A 121 -11.830 -21.670 -1.569 1.00 2.24 C ATOM 1280 CD1 PHE A 121 -13.202 -21.509 -1.659 1.00 2.75 C ATOM 1281 CD2 PHE A 121 -11.226 -22.670 -2.315 1.00 2.98 C ATOM 1282 CE1 PHE A 121 -13.959 -22.328 -2.475 1.00 3.54 C ATOM 1283 CE2 PHE A 121 -11.977 -23.492 -3.133 1.00 3.79 C ATOM 1284 CZ PHE A 121 -13.345 -23.321 -3.213 1.00 3.94 C ATOM 0 H PHE A 121 -8.825 -20.436 -1.848 1.00 1.36 H new ATOM 0 HA PHE A 121 -11.399 -19.142 -2.029 1.00 1.44 H new ATOM 0 HB2 PHE A 121 -10.108 -21.309 -0.378 1.00 1.70 H new ATOM 0 HB3 PHE A 121 -11.574 -20.563 0.227 1.00 1.70 H new ATOM 0 HD1 PHE A 121 -13.687 -20.734 -1.084 1.00 2.75 H new ATOM 0 HD2 PHE A 121 -10.156 -22.808 -2.256 1.00 2.98 H new ATOM 0 HE1 PHE A 121 -15.029 -22.192 -2.536 1.00 3.54 H new ATOM 0 HE2 PHE A 121 -11.495 -24.268 -3.709 1.00 3.79 H new ATOM 0 HZ PHE A 121 -13.934 -23.963 -3.852 1.00 3.94 H new ATOM 1294 N THR A 122 -9.437 -18.524 0.564 1.00 1.23 N ATOM 1295 CA THR A 122 -9.176 -17.575 1.645 1.00 1.25 C ATOM 1296 C THR A 122 -8.542 -16.277 1.147 1.00 0.99 C ATOM 1297 O THR A 122 -8.670 -15.236 1.790 1.00 1.05 O ATOM 1298 CB THR A 122 -8.272 -18.217 2.697 1.00 1.59 C ATOM 1299 OG1 THR A 122 -8.394 -19.628 2.672 1.00 1.93 O ATOM 1300 CG2 THR A 122 -8.573 -17.755 4.107 1.00 2.37 C ATOM 0 H THR A 122 -8.777 -19.301 0.521 1.00 1.23 H new ATOM 0 HA THR A 122 -10.140 -17.319 2.084 1.00 1.25 H new ATOM 0 HB THR A 122 -7.261 -17.904 2.437 1.00 1.59 H new ATOM 0 HG1 THR A 122 -7.806 -20.019 3.351 1.00 1.93 H new ATOM 0 HG21 THR A 122 -7.896 -18.249 4.804 1.00 2.37 H new ATOM 0 HG22 THR A 122 -8.438 -16.675 4.173 1.00 2.37 H new ATOM 0 HG23 THR A 122 -9.602 -18.008 4.361 1.00 2.37 H new ATOM 1308 N ALA A 123 -7.845 -16.346 0.019 1.00 0.93 N ATOM 1309 CA ALA A 123 -7.171 -15.173 -0.537 1.00 0.74 C ATOM 1310 C ALA A 123 -8.082 -13.949 -0.555 1.00 0.52 C ATOM 1311 O ALA A 123 -7.702 -12.875 -0.094 1.00 0.53 O ATOM 1312 CB ALA A 123 -6.696 -15.466 -1.952 1.00 0.81 C ATOM 0 H ALA A 123 -7.730 -17.198 -0.529 1.00 0.93 H new ATOM 0 HA ALA A 123 -6.318 -14.953 0.106 1.00 0.74 H new ATOM 0 HB1 ALA A 123 -6.196 -14.587 -2.357 1.00 0.81 H new ATOM 0 HB2 ALA A 123 -6.000 -16.305 -1.936 1.00 0.81 H new ATOM 0 HB3 ALA A 123 -7.552 -15.717 -2.578 1.00 0.81 H new ATOM 1318 N ARG A 124 -9.282 -14.109 -1.098 1.00 0.48 N ATOM 1319 CA ARG A 124 -10.232 -13.005 -1.174 1.00 0.39 C ATOM 1320 C ARG A 124 -10.585 -12.491 0.220 1.00 0.35 C ATOM 1321 O ARG A 124 -10.553 -11.287 0.475 1.00 0.33 O ATOM 1322 CB ARG A 124 -11.502 -13.445 -1.904 1.00 0.58 C ATOM 1323 CG ARG A 124 -12.782 -12.964 -1.241 1.00 0.85 C ATOM 1324 CD ARG A 124 -14.007 -13.334 -2.059 1.00 0.91 C ATOM 1325 NE ARG A 124 -15.250 -12.970 -1.381 1.00 1.52 N ATOM 1326 CZ ARG A 124 -15.738 -11.731 -1.340 1.00 1.95 C ATOM 1327 NH1 ARG A 124 -15.095 -10.733 -1.936 1.00 2.38 N ATOM 1328 NH2 ARG A 124 -16.874 -11.490 -0.701 1.00 2.56 N ATOM 0 H ARG A 124 -9.620 -14.988 -1.491 1.00 0.48 H new ATOM 0 HA ARG A 124 -9.763 -12.195 -1.732 1.00 0.39 H new ATOM 0 HB2 ARG A 124 -11.470 -13.072 -2.928 1.00 0.58 H new ATOM 0 HB3 ARG A 124 -11.519 -14.533 -1.962 1.00 0.58 H new ATOM 0 HG2 ARG A 124 -12.863 -13.400 -0.245 1.00 0.85 H new ATOM 0 HG3 ARG A 124 -12.742 -11.882 -1.113 1.00 0.85 H new ATOM 0 HD2 ARG A 124 -13.962 -12.833 -3.026 1.00 0.91 H new ATOM 0 HD3 ARG A 124 -14.002 -14.406 -2.255 1.00 0.91 H new ATOM 0 HE ARG A 124 -15.775 -13.708 -0.912 1.00 1.52 H new ATOM 0 HH11 ARG A 124 -14.221 -10.912 -2.430 1.00 2.38 H new ATOM 0 HH12 ARG A 124 -15.476 -9.787 -1.900 1.00 2.38 H new ATOM 0 HH21 ARG A 124 -17.373 -12.252 -0.242 1.00 2.56 H new ATOM 0 HH22 ARG A 124 -17.250 -10.542 -0.668 1.00 2.56 H new ATOM 1342 N GLY A 125 -10.922 -13.413 1.119 1.00 0.42 N ATOM 1343 CA GLY A 125 -11.277 -13.034 2.475 1.00 0.43 C ATOM 1344 C GLY A 125 -10.105 -12.454 3.243 1.00 0.41 C ATOM 1345 O GLY A 125 -10.291 -11.592 4.102 1.00 0.45 O ATOM 0 H GLY A 125 -10.955 -14.415 0.932 1.00 0.42 H new ATOM 0 HA2 GLY A 125 -12.085 -12.303 2.444 1.00 0.43 H new ATOM 0 HA3 GLY A 125 -11.658 -13.907 3.005 1.00 0.43 H new ATOM 1349 N ARG A 126 -8.893 -12.929 2.950 1.00 0.39 N ATOM 1350 CA ARG A 126 -7.711 -12.436 3.649 1.00 0.42 C ATOM 1351 C ARG A 126 -7.282 -11.055 3.165 1.00 0.39 C ATOM 1352 O ARG A 126 -6.629 -10.320 3.900 1.00 0.46 O ATOM 1353 CB ARG A 126 -6.546 -13.421 3.574 1.00 0.47 C ATOM 1354 CG ARG A 126 -6.042 -13.669 2.176 1.00 0.86 C ATOM 1355 CD ARG A 126 -4.547 -13.939 2.166 1.00 0.90 C ATOM 1356 NE ARG A 126 -4.172 -14.923 1.151 1.00 1.55 N ATOM 1357 CZ ARG A 126 -3.860 -14.619 -0.110 1.00 2.11 C ATOM 1358 NH1 ARG A 126 -3.928 -13.366 -0.544 1.00 2.48 N ATOM 1359 NH2 ARG A 126 -3.495 -15.581 -0.948 1.00 2.96 N ATOM 0 H ARG A 126 -8.708 -13.643 2.245 1.00 0.39 H new ATOM 0 HA ARG A 126 -8.000 -12.341 4.696 1.00 0.42 H new ATOM 0 HB2 ARG A 126 -5.725 -13.044 4.184 1.00 0.47 H new ATOM 0 HB3 ARG A 126 -6.857 -14.370 4.011 1.00 0.47 H new ATOM 0 HG2 ARG A 126 -6.570 -14.519 1.743 1.00 0.86 H new ATOM 0 HG3 ARG A 126 -6.261 -12.804 1.550 1.00 0.86 H new ATOM 0 HD2 ARG A 126 -4.012 -13.007 1.982 1.00 0.90 H new ATOM 0 HD3 ARG A 126 -4.237 -14.296 3.148 1.00 0.90 H new ATOM 0 HE ARG A 126 -4.147 -15.905 1.425 1.00 1.55 H new ATOM 0 HH11 ARG A 126 -4.222 -12.622 0.089 1.00 2.48 H new ATOM 0 HH12 ARG A 126 -3.687 -13.147 -1.511 1.00 2.48 H new ATOM 0 HH21 ARG A 126 -3.454 -16.548 -0.627 1.00 2.96 H new ATOM 0 HH22 ARG A 126 -3.256 -15.353 -1.913 1.00 2.96 H new ATOM 1373 N PHE A 127 -7.653 -10.700 1.942 1.00 0.39 N ATOM 1374 CA PHE A 127 -7.295 -9.394 1.396 1.00 0.38 C ATOM 1375 C PHE A 127 -7.985 -8.271 2.168 1.00 0.33 C ATOM 1376 O PHE A 127 -7.337 -7.339 2.638 1.00 0.33 O ATOM 1377 CB PHE A 127 -7.677 -9.313 -0.084 1.00 0.40 C ATOM 1378 CG PHE A 127 -8.481 -8.091 -0.427 1.00 0.36 C ATOM 1379 CD1 PHE A 127 -7.854 -6.883 -0.685 1.00 1.08 C ATOM 1380 CD2 PHE A 127 -9.864 -8.150 -0.484 1.00 1.15 C ATOM 1381 CE1 PHE A 127 -8.592 -5.756 -0.996 1.00 1.09 C ATOM 1382 CE2 PHE A 127 -10.608 -7.027 -0.794 1.00 1.13 C ATOM 1383 CZ PHE A 127 -9.970 -5.829 -1.049 1.00 0.33 C ATOM 0 H PHE A 127 -8.197 -11.291 1.313 1.00 0.39 H new ATOM 0 HA PHE A 127 -6.216 -9.273 1.496 1.00 0.38 H new ATOM 0 HB2 PHE A 127 -6.769 -9.322 -0.687 1.00 0.40 H new ATOM 0 HB3 PHE A 127 -8.248 -10.202 -0.353 1.00 0.40 H new ATOM 0 HD1 PHE A 127 -6.777 -6.821 -0.643 1.00 1.08 H new ATOM 0 HD2 PHE A 127 -10.367 -9.085 -0.284 1.00 1.15 H new ATOM 0 HE1 PHE A 127 -8.092 -4.820 -1.197 1.00 1.09 H new ATOM 0 HE2 PHE A 127 -11.686 -7.086 -0.837 1.00 1.13 H new ATOM 0 HZ PHE A 127 -10.549 -4.949 -1.290 1.00 0.33 H new ATOM 1393 N ALA A 128 -9.304 -8.363 2.286 1.00 0.33 N ATOM 1394 CA ALA A 128 -10.083 -7.351 2.991 1.00 0.32 C ATOM 1395 C ALA A 128 -9.501 -7.056 4.370 1.00 0.31 C ATOM 1396 O ALA A 128 -9.284 -5.899 4.730 1.00 0.32 O ATOM 1397 CB ALA A 128 -11.533 -7.795 3.114 1.00 0.37 C ATOM 0 H ALA A 128 -9.858 -9.129 1.902 1.00 0.33 H new ATOM 0 HA ALA A 128 -10.039 -6.431 2.408 1.00 0.32 H new ATOM 0 HB1 ALA A 128 -12.104 -7.031 3.642 1.00 0.37 H new ATOM 0 HB2 ALA A 128 -11.955 -7.940 2.119 1.00 0.37 H new ATOM 0 HB3 ALA A 128 -11.581 -8.732 3.669 1.00 0.37 H new ATOM 1403 N THR A 129 -9.264 -8.110 5.142 1.00 0.33 N ATOM 1404 CA THR A 129 -8.723 -7.972 6.490 1.00 0.35 C ATOM 1405 C THR A 129 -7.442 -7.144 6.513 1.00 0.35 C ATOM 1406 O THR A 129 -7.145 -6.486 7.508 1.00 0.41 O ATOM 1407 CB THR A 129 -8.455 -9.352 7.093 1.00 0.41 C ATOM 1408 OG1 THR A 129 -9.340 -10.317 6.550 1.00 0.51 O ATOM 1409 CG2 THR A 129 -8.605 -9.388 8.598 1.00 0.50 C ATOM 0 H THR A 129 -9.439 -9.074 4.857 1.00 0.33 H new ATOM 0 HA THR A 129 -9.469 -7.446 7.086 1.00 0.35 H new ATOM 0 HB THR A 129 -7.419 -9.580 6.842 1.00 0.41 H new ATOM 0 HG1 THR A 129 -9.152 -11.193 6.947 1.00 0.51 H new ATOM 0 HG21 THR A 129 -8.401 -10.396 8.960 1.00 0.50 H new ATOM 0 HG22 THR A 129 -7.900 -8.690 9.051 1.00 0.50 H new ATOM 0 HG23 THR A 129 -9.622 -9.104 8.869 1.00 0.50 H new ATOM 1417 N VAL A 130 -6.674 -7.183 5.426 1.00 0.33 N ATOM 1418 CA VAL A 130 -5.426 -6.429 5.376 1.00 0.34 C ATOM 1419 C VAL A 130 -5.664 -4.947 5.098 1.00 0.30 C ATOM 1420 O VAL A 130 -5.045 -4.087 5.725 1.00 0.30 O ATOM 1421 CB VAL A 130 -4.421 -6.987 4.339 1.00 0.36 C ATOM 1422 CG1 VAL A 130 -4.657 -8.465 4.088 1.00 0.39 C ATOM 1423 CG2 VAL A 130 -4.475 -6.200 3.036 1.00 0.47 C ATOM 0 H VAL A 130 -6.889 -7.718 4.584 1.00 0.33 H new ATOM 0 HA VAL A 130 -4.987 -6.542 6.367 1.00 0.34 H new ATOM 0 HB VAL A 130 -3.421 -6.872 4.757 1.00 0.36 H new ATOM 0 HG11 VAL A 130 -3.937 -8.829 3.356 1.00 0.39 H new ATOM 0 HG12 VAL A 130 -4.537 -9.016 5.021 1.00 0.39 H new ATOM 0 HG13 VAL A 130 -5.668 -8.613 3.707 1.00 0.39 H new ATOM 0 HG21 VAL A 130 -3.758 -6.617 2.329 1.00 0.47 H new ATOM 0 HG22 VAL A 130 -5.478 -6.263 2.614 1.00 0.47 H new ATOM 0 HG23 VAL A 130 -4.228 -5.156 3.231 1.00 0.47 H new ATOM 1433 N VAL A 131 -6.563 -4.647 4.169 1.00 0.29 N ATOM 1434 CA VAL A 131 -6.870 -3.262 3.835 1.00 0.28 C ATOM 1435 C VAL A 131 -7.703 -2.625 4.942 1.00 0.28 C ATOM 1436 O VAL A 131 -7.592 -1.428 5.209 1.00 0.33 O ATOM 1437 CB VAL A 131 -7.636 -3.158 2.503 1.00 0.28 C ATOM 1438 CG1 VAL A 131 -8.822 -4.109 2.494 1.00 0.31 C ATOM 1439 CG2 VAL A 131 -8.089 -1.727 2.256 1.00 0.36 C ATOM 0 H VAL A 131 -7.089 -5.339 3.636 1.00 0.29 H new ATOM 0 HA VAL A 131 -5.922 -2.733 3.732 1.00 0.28 H new ATOM 0 HB VAL A 131 -6.963 -3.445 1.695 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -9.351 -4.022 1.545 1.00 0.31 H new ATOM 0 HG12 VAL A 131 -8.469 -5.132 2.620 1.00 0.31 H new ATOM 0 HG13 VAL A 131 -9.498 -3.856 3.311 1.00 0.31 H new ATOM 0 HG21 VAL A 131 -8.628 -1.674 1.310 1.00 0.36 H new ATOM 0 HG22 VAL A 131 -8.745 -1.408 3.066 1.00 0.36 H new ATOM 0 HG23 VAL A 131 -7.219 -1.072 2.215 1.00 0.36 H new ATOM 1449 N GLU A 132 -8.537 -3.440 5.584 1.00 0.27 N ATOM 1450 CA GLU A 132 -9.393 -2.969 6.667 1.00 0.27 C ATOM 1451 C GLU A 132 -8.562 -2.365 7.796 1.00 0.29 C ATOM 1452 O GLU A 132 -8.950 -1.364 8.396 1.00 0.30 O ATOM 1453 CB GLU A 132 -10.249 -4.116 7.208 1.00 0.29 C ATOM 1454 CG GLU A 132 -11.684 -3.716 7.506 1.00 0.70 C ATOM 1455 CD GLU A 132 -11.787 -2.335 8.125 1.00 1.25 C ATOM 1456 OE1 GLU A 132 -11.235 -2.135 9.227 1.00 2.03 O ATOM 1457 OE2 GLU A 132 -12.421 -1.454 7.507 1.00 1.92 O ATOM 0 H GLU A 132 -8.637 -4.432 5.371 1.00 0.27 H new ATOM 0 HA GLU A 132 -10.047 -2.195 6.266 1.00 0.27 H new ATOM 0 HB2 GLU A 132 -10.251 -4.930 6.483 1.00 0.29 H new ATOM 0 HB3 GLU A 132 -9.791 -4.501 8.119 1.00 0.29 H new ATOM 0 HG2 GLU A 132 -12.264 -3.741 6.583 1.00 0.70 H new ATOM 0 HG3 GLU A 132 -12.129 -4.447 8.181 1.00 0.70 H new ATOM 1464 N GLU A 133 -7.421 -2.982 8.079 1.00 0.30 N ATOM 1465 CA GLU A 133 -6.539 -2.506 9.138 1.00 0.33 C ATOM 1466 C GLU A 133 -5.775 -1.261 8.699 1.00 0.32 C ATOM 1467 O GLU A 133 -5.399 -0.432 9.527 1.00 0.34 O ATOM 1468 CB GLU A 133 -5.557 -3.604 9.550 1.00 0.38 C ATOM 1469 CG GLU A 133 -4.627 -4.042 8.431 1.00 0.83 C ATOM 1470 CD GLU A 133 -3.315 -4.601 8.946 1.00 1.49 C ATOM 1471 OE1 GLU A 133 -2.819 -4.098 9.976 1.00 2.29 O ATOM 1472 OE2 GLU A 133 -2.785 -5.543 8.320 1.00 2.07 O ATOM 0 H GLU A 133 -7.085 -3.812 7.591 1.00 0.30 H new ATOM 0 HA GLU A 133 -7.158 -2.243 9.996 1.00 0.33 H new ATOM 0 HB2 GLU A 133 -4.959 -3.248 10.389 1.00 0.38 H new ATOM 0 HB3 GLU A 133 -6.119 -4.469 9.903 1.00 0.38 H new ATOM 0 HG2 GLU A 133 -5.126 -4.798 7.824 1.00 0.83 H new ATOM 0 HG3 GLU A 133 -4.424 -3.192 7.779 1.00 0.83 H new ATOM 1479 N LEU A 134 -5.544 -1.129 7.395 1.00 0.32 N ATOM 1480 CA LEU A 134 -4.822 0.024 6.872 1.00 0.33 C ATOM 1481 C LEU A 134 -5.581 1.314 7.180 1.00 0.33 C ATOM 1482 O LEU A 134 -5.010 2.281 7.681 1.00 0.39 O ATOM 1483 CB LEU A 134 -4.618 -0.117 5.362 1.00 0.32 C ATOM 1484 CG LEU A 134 -3.161 -0.082 4.899 1.00 0.34 C ATOM 1485 CD1 LEU A 134 -2.469 1.173 5.411 1.00 0.59 C ATOM 1486 CD2 LEU A 134 -2.424 -1.327 5.368 1.00 0.39 C ATOM 0 H LEU A 134 -5.844 -1.800 6.688 1.00 0.32 H new ATOM 0 HA LEU A 134 -3.847 0.068 7.356 1.00 0.33 H new ATOM 0 HB2 LEU A 134 -5.064 -1.057 5.037 1.00 0.32 H new ATOM 0 HB3 LEU A 134 -5.162 0.684 4.861 1.00 0.32 H new ATOM 0 HG LEU A 134 -3.145 -0.063 3.809 1.00 0.34 H new ATOM 0 HD11 LEU A 134 -1.433 1.181 5.072 1.00 0.59 H new ATOM 0 HD12 LEU A 134 -2.983 2.054 5.028 1.00 0.59 H new ATOM 0 HD13 LEU A 134 -2.494 1.184 6.501 1.00 0.59 H new ATOM 0 HD21 LEU A 134 -1.389 -1.286 5.030 1.00 0.39 H new ATOM 0 HD22 LEU A 134 -2.449 -1.376 6.457 1.00 0.39 H new ATOM 0 HD23 LEU A 134 -2.906 -2.213 4.954 1.00 0.39 H new ATOM 1498 N PHE A 135 -6.882 1.293 6.918 1.00 0.30 N ATOM 1499 CA PHE A 135 -7.756 2.425 7.207 1.00 0.33 C ATOM 1500 C PHE A 135 -8.706 1.978 8.324 1.00 0.39 C ATOM 1501 O PHE A 135 -9.790 1.451 8.071 1.00 0.52 O ATOM 1502 CB PHE A 135 -8.545 2.846 5.961 1.00 0.30 C ATOM 1503 CG PHE A 135 -9.921 3.368 6.270 1.00 0.28 C ATOM 1504 CD1 PHE A 135 -10.084 4.587 6.901 1.00 1.05 C ATOM 1505 CD2 PHE A 135 -11.049 2.629 5.947 1.00 0.94 C ATOM 1506 CE1 PHE A 135 -11.344 5.066 7.202 1.00 1.07 C ATOM 1507 CE2 PHE A 135 -12.312 3.103 6.244 1.00 0.94 C ATOM 1508 CZ PHE A 135 -12.460 4.324 6.872 1.00 0.33 C ATOM 0 H PHE A 135 -7.360 0.494 6.501 1.00 0.30 H new ATOM 0 HA PHE A 135 -7.171 3.292 7.515 1.00 0.33 H new ATOM 0 HB2 PHE A 135 -7.985 3.614 5.428 1.00 0.30 H new ATOM 0 HB3 PHE A 135 -8.631 1.992 5.290 1.00 0.30 H new ATOM 0 HD1 PHE A 135 -9.215 5.172 7.162 1.00 1.05 H new ATOM 0 HD2 PHE A 135 -10.939 1.672 5.458 1.00 0.94 H new ATOM 0 HE1 PHE A 135 -11.456 6.020 7.695 1.00 1.07 H new ATOM 0 HE2 PHE A 135 -13.183 2.519 5.985 1.00 0.94 H new ATOM 0 HZ PHE A 135 -13.446 4.697 7.104 1.00 0.33 H new ATOM 1518 N ARG A 136 -8.271 2.135 9.563 1.00 0.48 N ATOM 1519 CA ARG A 136 -9.076 1.708 10.700 1.00 0.57 C ATOM 1520 C ARG A 136 -9.767 2.904 11.347 1.00 0.61 C ATOM 1521 O ARG A 136 -10.892 2.797 11.834 1.00 1.24 O ATOM 1522 CB ARG A 136 -8.205 0.986 11.730 1.00 0.80 C ATOM 1523 CG ARG A 136 -8.707 -0.404 12.083 1.00 0.99 C ATOM 1524 CD ARG A 136 -8.862 -0.577 13.585 1.00 1.51 C ATOM 1525 NE ARG A 136 -7.713 -0.049 14.318 1.00 2.05 N ATOM 1526 CZ ARG A 136 -6.510 -0.620 14.327 1.00 2.95 C ATOM 1527 NH1 ARG A 136 -6.289 -1.739 13.645 1.00 3.61 N ATOM 1528 NH2 ARG A 136 -5.523 -0.070 15.019 1.00 3.54 N ATOM 0 H ARG A 136 -7.373 2.551 9.808 1.00 0.48 H new ATOM 0 HA ARG A 136 -9.838 1.018 10.339 1.00 0.57 H new ATOM 0 HB2 ARG A 136 -7.189 0.909 11.344 1.00 0.80 H new ATOM 0 HB3 ARG A 136 -8.156 1.587 12.638 1.00 0.80 H new ATOM 0 HG2 ARG A 136 -9.665 -0.580 11.595 1.00 0.99 H new ATOM 0 HG3 ARG A 136 -8.012 -1.151 11.700 1.00 0.99 H new ATOM 0 HD2 ARG A 136 -9.768 -0.070 13.917 1.00 1.51 H new ATOM 0 HD3 ARG A 136 -8.985 -1.635 13.817 1.00 1.51 H new ATOM 0 HE ARG A 136 -7.840 0.809 14.855 1.00 2.05 H new ATOM 0 HH11 ARG A 136 -7.044 -2.167 13.109 1.00 3.61 H new ATOM 0 HH12 ARG A 136 -5.364 -2.170 13.657 1.00 3.61 H new ATOM 0 HH21 ARG A 136 -5.685 0.789 15.544 1.00 3.54 H new ATOM 0 HH22 ARG A 136 -4.601 -0.506 15.027 1.00 3.54 H new ATOM 1542 N ASP A 137 -9.083 4.045 11.343 1.00 0.79 N ATOM 1543 CA ASP A 137 -9.628 5.268 11.922 1.00 0.81 C ATOM 1544 C ASP A 137 -10.038 6.245 10.824 1.00 0.53 C ATOM 1545 O ASP A 137 -11.210 6.603 10.701 1.00 1.24 O ATOM 1546 CB ASP A 137 -8.601 5.922 12.848 1.00 1.28 C ATOM 1547 CG ASP A 137 -8.733 7.432 12.886 1.00 2.16 C ATOM 1548 OD1 ASP A 137 -9.635 7.931 13.592 1.00 2.84 O ATOM 1549 OD2 ASP A 137 -7.937 8.115 12.209 1.00 2.84 O ATOM 0 H ASP A 137 -8.150 4.147 10.945 1.00 0.79 H new ATOM 0 HA ASP A 137 -10.512 5.007 12.504 1.00 0.81 H new ATOM 0 HB2 ASP A 137 -8.720 5.525 13.856 1.00 1.28 H new ATOM 0 HB3 ASP A 137 -7.597 5.656 12.517 1.00 1.28 H new ATOM 1554 N GLY A 138 -9.062 6.665 10.028 1.00 0.66 N ATOM 1555 CA GLY A 138 -9.327 7.590 8.941 1.00 0.50 C ATOM 1556 C GLY A 138 -8.377 7.380 7.780 1.00 0.48 C ATOM 1557 O GLY A 138 -7.321 6.768 7.943 1.00 0.67 O ATOM 0 H GLY A 138 -8.087 6.380 10.116 1.00 0.66 H new ATOM 0 HA2 GLY A 138 -10.354 7.463 8.598 1.00 0.50 H new ATOM 0 HA3 GLY A 138 -9.236 8.614 9.304 1.00 0.50 H new ATOM 1561 N VAL A 139 -8.755 7.860 6.602 1.00 0.38 N ATOM 1562 CA VAL A 139 -7.927 7.688 5.415 1.00 0.35 C ATOM 1563 C VAL A 139 -7.043 8.901 5.144 1.00 0.33 C ATOM 1564 O VAL A 139 -7.275 9.989 5.671 1.00 0.34 O ATOM 1565 CB VAL A 139 -8.790 7.401 4.170 1.00 0.35 C ATOM 1566 CG1 VAL A 139 -8.771 8.582 3.210 1.00 0.35 C ATOM 1567 CG2 VAL A 139 -8.316 6.135 3.475 1.00 0.36 C ATOM 0 H VAL A 139 -9.625 8.369 6.443 1.00 0.38 H new ATOM 0 HA VAL A 139 -7.282 6.833 5.616 1.00 0.35 H new ATOM 0 HB VAL A 139 -9.819 7.251 4.496 1.00 0.35 H new ATOM 0 HG11 VAL A 139 -9.387 8.354 2.340 1.00 0.35 H new ATOM 0 HG12 VAL A 139 -9.165 9.466 3.712 1.00 0.35 H new ATOM 0 HG13 VAL A 139 -7.747 8.773 2.889 1.00 0.35 H new ATOM 0 HG21 VAL A 139 -8.936 5.947 2.598 1.00 0.36 H new ATOM 0 HG22 VAL A 139 -7.278 6.257 3.166 1.00 0.36 H new ATOM 0 HG23 VAL A 139 -8.394 5.292 4.162 1.00 0.36 H new ATOM 1577 N ASN A 140 -6.025 8.695 4.310 1.00 0.31 N ATOM 1578 CA ASN A 140 -5.092 9.758 3.949 1.00 0.32 C ATOM 1579 C ASN A 140 -4.213 9.332 2.778 1.00 0.28 C ATOM 1580 O ASN A 140 -4.116 8.146 2.463 1.00 0.34 O ATOM 1581 CB ASN A 140 -4.219 10.129 5.150 1.00 0.36 C ATOM 1582 CG ASN A 140 -4.661 11.420 5.809 1.00 1.39 C ATOM 1583 OD1 ASN A 140 -5.493 11.414 6.715 1.00 2.37 O ATOM 1584 ND2 ASN A 140 -4.104 12.537 5.355 1.00 1.89 N ATOM 0 H ASN A 140 -5.826 7.796 3.870 1.00 0.31 H new ATOM 0 HA ASN A 140 -5.671 10.631 3.648 1.00 0.32 H new ATOM 0 HB2 ASN A 140 -4.250 9.322 5.882 1.00 0.36 H new ATOM 0 HB3 ASN A 140 -3.183 10.226 4.826 1.00 0.36 H new ATOM 0 HD21 ASN A 140 -4.362 13.437 5.760 1.00 1.89 H new ATOM 0 HD22 ASN A 140 -3.418 12.495 4.601 1.00 1.89 H new ATOM 1591 N TRP A 141 -3.574 10.305 2.138 1.00 0.30 N ATOM 1592 CA TRP A 141 -2.700 10.021 1.003 1.00 0.28 C ATOM 1593 C TRP A 141 -1.702 8.928 1.362 1.00 0.27 C ATOM 1594 O TRP A 141 -1.503 7.983 0.603 1.00 0.27 O ATOM 1595 CB TRP A 141 -1.945 11.278 0.562 1.00 0.32 C ATOM 1596 CG TRP A 141 -2.790 12.515 0.533 1.00 0.28 C ATOM 1597 CD1 TRP A 141 -2.581 13.661 1.243 1.00 0.30 C ATOM 1598 CD2 TRP A 141 -3.972 12.732 -0.245 1.00 0.24 C ATOM 1599 NE1 TRP A 141 -3.564 14.578 0.958 1.00 0.28 N ATOM 1600 CE2 TRP A 141 -4.429 14.032 0.046 1.00 0.25 C ATOM 1601 CE3 TRP A 141 -4.690 11.955 -1.158 1.00 0.24 C ATOM 1602 CZ2 TRP A 141 -5.570 14.570 -0.544 1.00 0.27 C ATOM 1603 CZ3 TRP A 141 -5.822 12.490 -1.744 1.00 0.27 C ATOM 1604 CH2 TRP A 141 -6.252 13.787 -1.434 1.00 0.28 C ATOM 0 H TRP A 141 -3.643 11.293 2.383 1.00 0.30 H new ATOM 0 HA TRP A 141 -3.326 9.682 0.178 1.00 0.28 H new ATOM 0 HB2 TRP A 141 -1.104 11.440 1.236 1.00 0.32 H new ATOM 0 HB3 TRP A 141 -1.529 11.110 -0.432 1.00 0.32 H new ATOM 0 HD1 TRP A 141 -1.763 13.824 1.929 1.00 0.30 H new ATOM 0 HE1 TRP A 141 -3.638 15.513 1.360 1.00 0.28 H new ATOM 0 HE3 TRP A 141 -4.366 10.954 -1.402 1.00 0.24 H new ATOM 0 HZ2 TRP A 141 -5.904 15.569 -0.307 1.00 0.27 H new ATOM 0 HZ3 TRP A 141 -6.384 11.899 -2.452 1.00 0.27 H new ATOM 0 HH2 TRP A 141 -7.141 14.177 -1.908 1.00 0.28 H new ATOM 1615 N GLY A 142 -1.078 9.070 2.529 1.00 0.30 N ATOM 1616 CA GLY A 142 -0.100 8.097 2.980 1.00 0.34 C ATOM 1617 C GLY A 142 -0.692 6.711 3.166 1.00 0.31 C ATOM 1618 O GLY A 142 -0.019 5.707 2.938 1.00 0.30 O ATOM 0 H GLY A 142 -1.234 9.846 3.172 1.00 0.30 H new ATOM 0 HA2 GLY A 142 0.714 8.045 2.257 1.00 0.34 H new ATOM 0 HA3 GLY A 142 0.331 8.432 3.923 1.00 0.34 H new ATOM 1622 N ARG A 143 -1.950 6.654 3.581 1.00 0.30 N ATOM 1623 CA ARG A 143 -2.623 5.378 3.783 1.00 0.27 C ATOM 1624 C ARG A 143 -3.039 4.773 2.446 1.00 0.23 C ATOM 1625 O ARG A 143 -2.825 3.588 2.199 1.00 0.23 O ATOM 1626 CB ARG A 143 -3.824 5.559 4.705 1.00 0.29 C ATOM 1627 CG ARG A 143 -3.901 4.519 5.807 1.00 0.46 C ATOM 1628 CD ARG A 143 -2.643 4.527 6.663 1.00 0.49 C ATOM 1629 NE ARG A 143 -2.951 4.598 8.088 1.00 1.19 N ATOM 1630 CZ ARG A 143 -3.322 5.713 8.715 1.00 1.31 C ATOM 1631 NH1 ARG A 143 -3.429 6.858 8.050 1.00 1.55 N ATOM 1632 NH2 ARG A 143 -3.585 5.685 10.015 1.00 2.00 N ATOM 0 H ARG A 143 -2.523 7.473 3.784 1.00 0.30 H new ATOM 0 HA ARG A 143 -1.929 4.685 4.259 1.00 0.27 H new ATOM 0 HB2 ARG A 143 -3.781 6.551 5.154 1.00 0.29 H new ATOM 0 HB3 ARG A 143 -4.737 5.517 4.112 1.00 0.29 H new ATOM 0 HG2 ARG A 143 -4.771 4.714 6.434 1.00 0.46 H new ATOM 0 HG3 ARG A 143 -4.039 3.531 5.368 1.00 0.46 H new ATOM 0 HD2 ARG A 143 -2.062 3.627 6.462 1.00 0.49 H new ATOM 0 HD3 ARG A 143 -2.020 5.377 6.384 1.00 0.49 H new ATOM 0 HE ARG A 143 -2.878 3.742 8.637 1.00 1.19 H new ATOM 0 HH11 ARG A 143 -3.226 6.888 7.051 1.00 1.55 H new ATOM 0 HH12 ARG A 143 -3.714 7.707 8.539 1.00 1.55 H new ATOM 0 HH21 ARG A 143 -3.503 4.810 10.533 1.00 2.00 H new ATOM 0 HH22 ARG A 143 -3.869 6.538 10.496 1.00 2.00 H new ATOM 1646 N ILE A 144 -3.615 5.602 1.575 1.00 0.23 N ATOM 1647 CA ILE A 144 -4.030 5.140 0.258 1.00 0.23 C ATOM 1648 C ILE A 144 -2.854 4.449 -0.421 1.00 0.24 C ATOM 1649 O ILE A 144 -2.948 3.294 -0.835 1.00 0.29 O ATOM 1650 CB ILE A 144 -4.517 6.302 -0.628 1.00 0.26 C ATOM 1651 CG1 ILE A 144 -5.893 6.784 -0.166 1.00 0.31 C ATOM 1652 CG2 ILE A 144 -4.562 5.872 -2.088 1.00 0.31 C ATOM 1653 CD1 ILE A 144 -5.959 8.273 0.088 1.00 0.28 C ATOM 0 H ILE A 144 -3.802 6.588 1.759 1.00 0.23 H new ATOM 0 HA ILE A 144 -4.861 4.447 0.389 1.00 0.23 H new ATOM 0 HB ILE A 144 -3.814 7.130 -0.534 1.00 0.26 H new ATOM 0 HG12 ILE A 144 -6.634 6.519 -0.921 1.00 0.31 H new ATOM 0 HG13 ILE A 144 -6.166 6.256 0.747 1.00 0.31 H new ATOM 0 HG21 ILE A 144 -4.908 6.704 -2.702 1.00 0.31 H new ATOM 0 HG22 ILE A 144 -3.564 5.574 -2.410 1.00 0.31 H new ATOM 0 HG23 ILE A 144 -5.246 5.030 -2.199 1.00 0.31 H new ATOM 0 HD11 ILE A 144 -6.964 8.543 0.412 1.00 0.28 H new ATOM 0 HD12 ILE A 144 -5.243 8.542 0.864 1.00 0.28 H new ATOM 0 HD13 ILE A 144 -5.718 8.810 -0.830 1.00 0.28 H new ATOM 1665 N VAL A 145 -1.741 5.171 -0.514 1.00 0.24 N ATOM 1666 CA VAL A 145 -0.526 4.635 -1.125 1.00 0.28 C ATOM 1667 C VAL A 145 -0.144 3.288 -0.523 1.00 0.32 C ATOM 1668 O VAL A 145 0.210 2.355 -1.244 1.00 0.56 O ATOM 1669 CB VAL A 145 0.698 5.587 -1.018 1.00 0.31 C ATOM 1670 CG1 VAL A 145 0.689 6.401 0.263 1.00 0.49 C ATOM 1671 CG2 VAL A 145 1.992 4.797 -1.103 1.00 0.36 C ATOM 0 H VAL A 145 -1.654 6.129 -0.174 1.00 0.24 H new ATOM 0 HA VAL A 145 -0.774 4.521 -2.180 1.00 0.28 H new ATOM 0 HB VAL A 145 0.630 6.281 -1.855 1.00 0.31 H new ATOM 0 HG11 VAL A 145 1.565 7.049 0.288 1.00 0.49 H new ATOM 0 HG12 VAL A 145 -0.214 7.010 0.301 1.00 0.49 H new ATOM 0 HG13 VAL A 145 0.710 5.729 1.121 1.00 0.49 H new ATOM 0 HG21 VAL A 145 2.840 5.478 -1.027 1.00 0.36 H new ATOM 0 HG22 VAL A 145 2.032 4.075 -0.287 1.00 0.36 H new ATOM 0 HG23 VAL A 145 2.035 4.270 -2.056 1.00 0.36 H new ATOM 1681 N ALA A 146 -0.209 3.191 0.797 1.00 0.28 N ATOM 1682 CA ALA A 146 0.142 1.958 1.490 1.00 0.28 C ATOM 1683 C ALA A 146 -0.675 0.776 0.980 1.00 0.24 C ATOM 1684 O ALA A 146 -0.121 -0.255 0.599 1.00 0.23 O ATOM 1685 CB ALA A 146 -0.064 2.131 2.984 1.00 0.30 C ATOM 0 H ALA A 146 -0.502 3.951 1.411 1.00 0.28 H new ATOM 0 HA ALA A 146 1.192 1.745 1.290 1.00 0.28 H new ATOM 0 HB1 ALA A 146 0.200 1.206 3.497 1.00 0.30 H new ATOM 0 HB2 ALA A 146 0.569 2.941 3.347 1.00 0.30 H new ATOM 0 HB3 ALA A 146 -1.109 2.370 3.182 1.00 0.30 H new ATOM 1691 N PHE A 147 -1.995 0.929 0.975 1.00 0.27 N ATOM 1692 CA PHE A 147 -2.881 -0.131 0.509 1.00 0.28 C ATOM 1693 C PHE A 147 -2.564 -0.491 -0.938 1.00 0.25 C ATOM 1694 O PHE A 147 -2.490 -1.668 -1.295 1.00 0.24 O ATOM 1695 CB PHE A 147 -4.341 0.303 0.635 1.00 0.38 C ATOM 1696 CG PHE A 147 -5.154 0.039 -0.601 1.00 0.37 C ATOM 1697 CD1 PHE A 147 -5.204 0.971 -1.624 1.00 0.97 C ATOM 1698 CD2 PHE A 147 -5.867 -1.141 -0.737 1.00 1.25 C ATOM 1699 CE1 PHE A 147 -5.951 0.731 -2.762 1.00 0.92 C ATOM 1700 CE2 PHE A 147 -6.615 -1.387 -1.873 1.00 1.36 C ATOM 1701 CZ PHE A 147 -6.657 -0.449 -2.886 1.00 0.56 C ATOM 0 H PHE A 147 -2.473 1.774 1.287 1.00 0.27 H new ATOM 0 HA PHE A 147 -2.722 -1.012 1.131 1.00 0.28 H new ATOM 0 HB2 PHE A 147 -4.795 -0.219 1.477 1.00 0.38 H new ATOM 0 HB3 PHE A 147 -4.377 1.368 0.863 1.00 0.38 H new ATOM 0 HD1 PHE A 147 -4.653 1.895 -1.532 1.00 0.97 H new ATOM 0 HD2 PHE A 147 -5.838 -1.877 0.053 1.00 1.25 H new ATOM 0 HE1 PHE A 147 -5.982 1.466 -3.553 1.00 0.92 H new ATOM 0 HE2 PHE A 147 -7.166 -2.311 -1.968 1.00 1.36 H new ATOM 0 HZ PHE A 147 -7.242 -0.638 -3.774 1.00 0.56 H new ATOM 1711 N PHE A 148 -2.370 0.531 -1.765 1.00 0.30 N ATOM 1712 CA PHE A 148 -2.051 0.327 -3.173 1.00 0.34 C ATOM 1713 C PHE A 148 -0.880 -0.639 -3.320 1.00 0.33 C ATOM 1714 O PHE A 148 -0.948 -1.603 -4.081 1.00 0.41 O ATOM 1715 CB PHE A 148 -1.706 1.661 -3.836 1.00 0.42 C ATOM 1716 CG PHE A 148 -2.808 2.210 -4.697 1.00 0.33 C ATOM 1717 CD1 PHE A 148 -3.242 1.518 -5.815 1.00 1.14 C ATOM 1718 CD2 PHE A 148 -3.407 3.420 -4.386 1.00 1.07 C ATOM 1719 CE1 PHE A 148 -4.256 2.022 -6.608 1.00 1.21 C ATOM 1720 CE2 PHE A 148 -4.421 3.930 -5.175 1.00 1.02 C ATOM 1721 CZ PHE A 148 -4.846 3.230 -6.288 1.00 0.42 C ATOM 0 H PHE A 148 -2.428 1.510 -1.484 1.00 0.30 H new ATOM 0 HA PHE A 148 -2.925 -0.100 -3.665 1.00 0.34 H new ATOM 0 HB2 PHE A 148 -1.464 2.390 -3.062 1.00 0.42 H new ATOM 0 HB3 PHE A 148 -0.811 1.533 -4.444 1.00 0.42 H new ATOM 0 HD1 PHE A 148 -2.783 0.574 -6.070 1.00 1.14 H new ATOM 0 HD2 PHE A 148 -3.078 3.971 -3.517 1.00 1.07 H new ATOM 0 HE1 PHE A 148 -4.587 1.472 -7.477 1.00 1.21 H new ATOM 0 HE2 PHE A 148 -4.880 4.874 -4.922 1.00 1.02 H new ATOM 0 HZ PHE A 148 -5.638 3.626 -6.907 1.00 0.42 H new ATOM 1731 N GLU A 149 0.192 -0.371 -2.580 1.00 0.29 N ATOM 1732 CA GLU A 149 1.381 -1.213 -2.620 1.00 0.31 C ATOM 1733 C GLU A 149 1.063 -2.621 -2.129 1.00 0.27 C ATOM 1734 O GLU A 149 1.553 -3.607 -2.680 1.00 0.28 O ATOM 1735 CB GLU A 149 2.495 -0.602 -1.769 1.00 0.36 C ATOM 1736 CG GLU A 149 3.477 -1.627 -1.225 1.00 0.77 C ATOM 1737 CD GLU A 149 4.072 -2.498 -2.314 1.00 1.41 C ATOM 1738 OE1 GLU A 149 3.799 -2.232 -3.503 1.00 2.21 O ATOM 1739 OE2 GLU A 149 4.814 -3.445 -1.977 1.00 2.08 O ATOM 0 H GLU A 149 0.261 0.424 -1.945 1.00 0.29 H new ATOM 0 HA GLU A 149 1.719 -1.274 -3.654 1.00 0.31 H new ATOM 0 HB2 GLU A 149 3.039 0.128 -2.368 1.00 0.36 H new ATOM 0 HB3 GLU A 149 2.048 -0.061 -0.935 1.00 0.36 H new ATOM 0 HG2 GLU A 149 4.280 -1.112 -0.698 1.00 0.77 H new ATOM 0 HG3 GLU A 149 2.970 -2.259 -0.495 1.00 0.77 H new ATOM 1746 N PHE A 150 0.240 -2.706 -1.090 1.00 0.25 N ATOM 1747 CA PHE A 150 -0.146 -3.992 -0.524 1.00 0.26 C ATOM 1748 C PHE A 150 -0.795 -4.878 -1.582 1.00 0.27 C ATOM 1749 O PHE A 150 -0.423 -6.040 -1.746 1.00 0.33 O ATOM 1750 CB PHE A 150 -1.108 -3.790 0.649 1.00 0.26 C ATOM 1751 CG PHE A 150 -0.913 -4.779 1.763 1.00 0.34 C ATOM 1752 CD1 PHE A 150 -0.414 -6.045 1.503 1.00 1.02 C ATOM 1753 CD2 PHE A 150 -1.230 -4.442 3.068 1.00 1.08 C ATOM 1754 CE1 PHE A 150 -0.234 -6.956 2.526 1.00 1.11 C ATOM 1755 CE2 PHE A 150 -1.053 -5.350 4.095 1.00 1.16 C ATOM 1756 CZ PHE A 150 -0.554 -6.609 3.823 1.00 0.69 C ATOM 0 H PHE A 150 -0.173 -1.899 -0.623 1.00 0.25 H new ATOM 0 HA PHE A 150 0.756 -4.487 -0.163 1.00 0.26 H new ATOM 0 HB2 PHE A 150 -0.981 -2.782 1.043 1.00 0.26 H new ATOM 0 HB3 PHE A 150 -2.133 -3.863 0.285 1.00 0.26 H new ATOM 0 HD1 PHE A 150 -0.163 -6.323 0.490 1.00 1.02 H new ATOM 0 HD2 PHE A 150 -1.620 -3.459 3.286 1.00 1.08 H new ATOM 0 HE1 PHE A 150 0.157 -7.939 2.311 1.00 1.11 H new ATOM 0 HE2 PHE A 150 -1.305 -5.075 5.109 1.00 1.16 H new ATOM 0 HZ PHE A 150 -0.415 -7.320 4.624 1.00 0.69 H new ATOM 1766 N GLY A 151 -1.765 -4.321 -2.298 1.00 0.27 N ATOM 1767 CA GLY A 151 -2.446 -5.074 -3.333 1.00 0.33 C ATOM 1768 C GLY A 151 -1.481 -5.699 -4.320 1.00 0.33 C ATOM 1769 O GLY A 151 -1.618 -6.869 -4.678 1.00 0.46 O ATOM 0 H GLY A 151 -2.091 -3.362 -2.180 1.00 0.27 H new ATOM 0 HA2 GLY A 151 -3.049 -5.857 -2.873 1.00 0.33 H new ATOM 0 HA3 GLY A 151 -3.132 -4.416 -3.866 1.00 0.33 H new ATOM 1773 N GLY A 152 -0.499 -4.917 -4.757 1.00 0.26 N ATOM 1774 CA GLY A 152 0.482 -5.418 -5.700 1.00 0.28 C ATOM 1775 C GLY A 152 1.265 -6.590 -5.144 1.00 0.26 C ATOM 1776 O GLY A 152 1.495 -7.579 -5.841 1.00 0.28 O ATOM 0 H GLY A 152 -0.366 -3.946 -4.475 1.00 0.26 H new ATOM 0 HA2 GLY A 152 -0.021 -5.722 -6.618 1.00 0.28 H new ATOM 0 HA3 GLY A 152 1.171 -4.616 -5.965 1.00 0.28 H new ATOM 1780 N VAL A 153 1.671 -6.482 -3.883 1.00 0.24 N ATOM 1781 CA VAL A 153 2.427 -7.543 -3.232 1.00 0.26 C ATOM 1782 C VAL A 153 1.644 -8.851 -3.242 1.00 0.25 C ATOM 1783 O VAL A 153 2.216 -9.929 -3.403 1.00 0.28 O ATOM 1784 CB VAL A 153 2.777 -7.177 -1.778 1.00 0.26 C ATOM 1785 CG1 VAL A 153 3.491 -8.331 -1.093 1.00 0.72 C ATOM 1786 CG2 VAL A 153 3.624 -5.914 -1.735 1.00 0.89 C ATOM 0 H VAL A 153 1.489 -5.670 -3.293 1.00 0.24 H new ATOM 0 HA VAL A 153 3.352 -7.667 -3.796 1.00 0.26 H new ATOM 0 HB VAL A 153 1.850 -6.984 -1.238 1.00 0.26 H new ATOM 0 HG11 VAL A 153 3.730 -8.053 -0.066 1.00 0.72 H new ATOM 0 HG12 VAL A 153 2.845 -9.209 -1.090 1.00 0.72 H new ATOM 0 HG13 VAL A 153 4.411 -8.560 -1.631 1.00 0.72 H new ATOM 0 HG21 VAL A 153 3.862 -5.670 -0.700 1.00 0.89 H new ATOM 0 HG22 VAL A 153 4.547 -6.076 -2.291 1.00 0.89 H new ATOM 0 HG23 VAL A 153 3.070 -5.089 -2.184 1.00 0.89 H new ATOM 1796 N MET A 154 0.331 -8.745 -3.067 1.00 0.23 N ATOM 1797 CA MET A 154 -0.538 -9.915 -3.056 1.00 0.27 C ATOM 1798 C MET A 154 -0.755 -10.456 -4.466 1.00 0.29 C ATOM 1799 O MET A 154 -0.639 -11.655 -4.707 1.00 0.33 O ATOM 1800 CB MET A 154 -1.885 -9.565 -2.422 1.00 0.29 C ATOM 1801 CG MET A 154 -2.767 -10.776 -2.161 1.00 0.88 C ATOM 1802 SD MET A 154 -4.435 -10.321 -1.649 1.00 1.27 S ATOM 1803 CE MET A 154 -4.180 -8.623 -1.143 1.00 0.43 C ATOM 0 H MET A 154 -0.155 -7.859 -2.931 1.00 0.23 H new ATOM 0 HA MET A 154 -0.050 -10.689 -2.464 1.00 0.27 H new ATOM 0 HB2 MET A 154 -1.710 -9.044 -1.481 1.00 0.29 H new ATOM 0 HB3 MET A 154 -2.416 -8.873 -3.076 1.00 0.29 H new ATOM 0 HG2 MET A 154 -2.821 -11.383 -3.065 1.00 0.88 H new ATOM 0 HG3 MET A 154 -2.310 -11.394 -1.389 1.00 0.88 H new ATOM 0 HE1 MET A 154 -5.059 -8.268 -0.605 1.00 0.43 H new ATOM 0 HE2 MET A 154 -3.308 -8.564 -0.492 1.00 0.43 H new ATOM 0 HE3 MET A 154 -4.018 -8.001 -2.024 1.00 0.43 H new ATOM 1813 N CYS A 155 -1.073 -9.564 -5.397 1.00 0.29 N ATOM 1814 CA CYS A 155 -1.304 -9.965 -6.779 1.00 0.32 C ATOM 1815 C CYS A 155 -0.113 -10.754 -7.312 1.00 0.32 C ATOM 1816 O CYS A 155 -0.276 -11.712 -8.068 1.00 0.36 O ATOM 1817 CB CYS A 155 -1.553 -8.736 -7.656 1.00 0.35 C ATOM 1818 SG CYS A 155 -0.204 -8.360 -8.799 1.00 0.92 S ATOM 0 H CYS A 155 -1.176 -8.565 -5.222 1.00 0.29 H new ATOM 0 HA CYS A 155 -2.187 -10.603 -6.808 1.00 0.32 H new ATOM 0 HB2 CYS A 155 -2.468 -8.891 -8.228 1.00 0.35 H new ATOM 0 HB3 CYS A 155 -1.722 -7.872 -7.013 1.00 0.35 H new ATOM 0 HG CYS A 155 0.835 -7.960 -8.128 1.00 0.92 H new ATOM 1824 N VAL A 156 1.086 -10.348 -6.905 1.00 0.30 N ATOM 1825 CA VAL A 156 2.307 -11.017 -7.331 1.00 0.33 C ATOM 1826 C VAL A 156 2.498 -12.329 -6.576 1.00 0.36 C ATOM 1827 O VAL A 156 3.009 -13.299 -7.122 1.00 0.38 O ATOM 1828 CB VAL A 156 3.544 -10.127 -7.107 1.00 0.36 C ATOM 1829 CG1 VAL A 156 4.748 -10.971 -6.720 1.00 0.66 C ATOM 1830 CG2 VAL A 156 3.840 -9.302 -8.351 1.00 0.67 C ATOM 0 H VAL A 156 1.236 -9.557 -6.279 1.00 0.30 H new ATOM 0 HA VAL A 156 2.205 -11.220 -8.397 1.00 0.33 H new ATOM 0 HB VAL A 156 3.332 -9.442 -6.286 1.00 0.36 H new ATOM 0 HG11 VAL A 156 5.612 -10.324 -6.566 1.00 0.66 H new ATOM 0 HG12 VAL A 156 4.532 -11.513 -5.799 1.00 0.66 H new ATOM 0 HG13 VAL A 156 4.965 -11.682 -7.517 1.00 0.66 H new ATOM 0 HG21 VAL A 156 4.717 -8.679 -8.174 1.00 0.67 H new ATOM 0 HG22 VAL A 156 4.031 -9.968 -9.192 1.00 0.67 H new ATOM 0 HG23 VAL A 156 2.984 -8.667 -8.579 1.00 0.67 H new ATOM 1840 N GLU A 157 2.080 -12.355 -5.314 1.00 0.40 N ATOM 1841 CA GLU A 157 2.215 -13.558 -4.500 1.00 0.45 C ATOM 1842 C GLU A 157 1.672 -14.776 -5.236 1.00 0.44 C ATOM 1843 O GLU A 157 2.317 -15.824 -5.282 1.00 0.45 O ATOM 1844 CB GLU A 157 1.497 -13.389 -3.159 1.00 0.52 C ATOM 1845 CG GLU A 157 2.410 -12.935 -2.033 1.00 1.04 C ATOM 1846 CD GLU A 157 3.487 -13.952 -1.708 1.00 1.51 C ATOM 1847 OE1 GLU A 157 3.299 -15.142 -2.041 1.00 1.97 O ATOM 1848 OE2 GLU A 157 4.517 -13.561 -1.121 1.00 2.33 O ATOM 0 H GLU A 157 1.649 -11.564 -4.836 1.00 0.40 H new ATOM 0 HA GLU A 157 3.277 -13.715 -4.309 1.00 0.45 H new ATOM 0 HB2 GLU A 157 0.691 -12.664 -3.277 1.00 0.52 H new ATOM 0 HB3 GLU A 157 1.035 -14.337 -2.882 1.00 0.52 H new ATOM 0 HG2 GLU A 157 2.879 -11.991 -2.309 1.00 1.04 H new ATOM 0 HG3 GLU A 157 1.813 -12.746 -1.141 1.00 1.04 H new ATOM 1855 N SER A 158 0.487 -14.630 -5.818 1.00 0.45 N ATOM 1856 CA SER A 158 -0.135 -15.718 -6.559 1.00 0.46 C ATOM 1857 C SER A 158 0.776 -16.189 -7.687 1.00 0.42 C ATOM 1858 O SER A 158 0.902 -17.389 -7.933 1.00 0.48 O ATOM 1859 CB SER A 158 -1.483 -15.272 -7.128 1.00 0.51 C ATOM 1860 OG SER A 158 -1.993 -14.157 -6.416 1.00 1.47 O ATOM 0 H SER A 158 -0.061 -13.770 -5.790 1.00 0.45 H new ATOM 0 HA SER A 158 -0.298 -16.549 -5.873 1.00 0.46 H new ATOM 0 HB2 SER A 158 -1.370 -15.014 -8.181 1.00 0.51 H new ATOM 0 HB3 SER A 158 -2.194 -16.097 -7.076 1.00 0.51 H new ATOM 0 HG SER A 158 -2.105 -13.401 -7.029 1.00 1.47 H new ATOM 1866 N VAL A 159 1.409 -15.240 -8.376 1.00 0.36 N ATOM 1867 CA VAL A 159 2.301 -15.579 -9.477 1.00 0.35 C ATOM 1868 C VAL A 159 3.520 -16.355 -8.985 1.00 0.35 C ATOM 1869 O VAL A 159 4.077 -17.179 -9.711 1.00 0.51 O ATOM 1870 CB VAL A 159 2.735 -14.345 -10.311 1.00 0.32 C ATOM 1871 CG1 VAL A 159 1.593 -13.348 -10.424 1.00 0.38 C ATOM 1872 CG2 VAL A 159 3.987 -13.668 -9.754 1.00 0.48 C ATOM 0 H VAL A 159 1.320 -14.241 -8.192 1.00 0.36 H new ATOM 0 HA VAL A 159 1.726 -16.221 -10.144 1.00 0.35 H new ATOM 0 HB VAL A 159 2.990 -14.710 -11.306 1.00 0.32 H new ATOM 0 HG11 VAL A 159 1.917 -12.489 -11.012 1.00 0.38 H new ATOM 0 HG12 VAL A 159 0.742 -13.823 -10.913 1.00 0.38 H new ATOM 0 HG13 VAL A 159 1.300 -13.016 -9.428 1.00 0.38 H new ATOM 0 HG21 VAL A 159 4.245 -12.811 -10.377 1.00 0.48 H new ATOM 0 HG22 VAL A 159 3.796 -13.332 -8.735 1.00 0.48 H new ATOM 0 HG23 VAL A 159 4.814 -14.378 -9.753 1.00 0.48 H new ATOM 1882 N ASN A 160 3.927 -16.088 -7.749 1.00 0.47 N ATOM 1883 CA ASN A 160 5.077 -16.763 -7.161 1.00 0.53 C ATOM 1884 C ASN A 160 4.936 -18.278 -7.272 1.00 0.46 C ATOM 1885 O ASN A 160 5.876 -18.971 -7.660 1.00 0.44 O ATOM 1886 CB ASN A 160 5.231 -16.362 -5.693 1.00 0.72 C ATOM 1887 CG ASN A 160 6.645 -15.929 -5.356 1.00 1.02 C ATOM 1888 OD1 ASN A 160 7.571 -16.740 -5.350 1.00 1.56 O ATOM 1889 ND2 ASN A 160 6.817 -14.643 -5.072 1.00 1.58 N ATOM 0 H ASN A 160 3.477 -15.409 -7.135 1.00 0.47 H new ATOM 0 HA ASN A 160 5.967 -16.458 -7.712 1.00 0.53 H new ATOM 0 HB2 ASN A 160 4.542 -15.548 -5.467 1.00 0.72 H new ATOM 0 HB3 ASN A 160 4.951 -17.203 -5.058 1.00 0.72 H new ATOM 0 HD21 ASN A 160 7.746 -14.292 -4.837 1.00 1.58 H new ATOM 0 HD22 ASN A 160 6.021 -14.006 -5.089 1.00 1.58 H new ATOM 1896 N ARG A 161 3.755 -18.785 -6.933 1.00 0.53 N ATOM 1897 CA ARG A 161 3.493 -20.218 -6.998 1.00 0.59 C ATOM 1898 C ARG A 161 2.996 -20.612 -8.384 1.00 0.60 C ATOM 1899 O ARG A 161 3.734 -21.199 -9.176 1.00 1.25 O ATOM 1900 CB ARG A 161 2.464 -20.619 -5.939 1.00 0.73 C ATOM 1901 CG ARG A 161 2.971 -20.474 -4.513 1.00 1.37 C ATOM 1902 CD ARG A 161 4.268 -21.237 -4.302 1.00 1.33 C ATOM 1903 NE ARG A 161 4.336 -22.443 -5.123 1.00 1.94 N ATOM 1904 CZ ARG A 161 3.574 -23.519 -4.930 1.00 2.38 C ATOM 1905 NH1 ARG A 161 2.684 -23.547 -3.945 1.00 2.62 N ATOM 1906 NH2 ARG A 161 3.705 -24.571 -5.725 1.00 3.20 N ATOM 0 H ARG A 161 2.965 -18.225 -6.611 1.00 0.53 H new ATOM 0 HA ARG A 161 4.427 -20.745 -6.801 1.00 0.59 H new ATOM 0 HB2 ARG A 161 1.571 -20.007 -6.062 1.00 0.73 H new ATOM 0 HB3 ARG A 161 2.167 -21.654 -6.107 1.00 0.73 H new ATOM 0 HG2 ARG A 161 3.127 -19.419 -4.287 1.00 1.37 H new ATOM 0 HG3 ARG A 161 2.215 -20.840 -3.818 1.00 1.37 H new ATOM 0 HD2 ARG A 161 5.112 -20.589 -4.540 1.00 1.33 H new ATOM 0 HD3 ARG A 161 4.361 -21.509 -3.251 1.00 1.33 H new ATOM 0 HE ARG A 161 5.007 -22.463 -5.891 1.00 1.94 H new ATOM 0 HH11 ARG A 161 2.580 -22.741 -3.329 1.00 2.62 H new ATOM 0 HH12 ARG A 161 2.105 -24.375 -3.804 1.00 2.62 H new ATOM 0 HH21 ARG A 161 4.388 -24.556 -6.483 1.00 3.20 H new ATOM 0 HH22 ARG A 161 3.123 -25.396 -5.579 1.00 3.20 H new ATOM 1920 N GLU A 162 1.741 -20.281 -8.673 1.00 0.72 N ATOM 1921 CA GLU A 162 1.143 -20.597 -9.965 1.00 0.68 C ATOM 1922 C GLU A 162 -0.286 -20.074 -10.043 1.00 0.64 C ATOM 1923 O GLU A 162 -1.231 -20.846 -10.199 1.00 0.91 O ATOM 1924 CB GLU A 162 1.155 -22.109 -10.203 1.00 0.80 C ATOM 1925 CG GLU A 162 1.200 -22.492 -11.674 1.00 0.88 C ATOM 1926 CD GLU A 162 1.127 -23.991 -11.887 1.00 1.58 C ATOM 1927 OE1 GLU A 162 0.116 -24.600 -11.482 1.00 2.34 O ATOM 1928 OE2 GLU A 162 2.083 -24.556 -12.461 1.00 2.20 O ATOM 0 H GLU A 162 1.118 -19.794 -8.029 1.00 0.72 H new ATOM 0 HA GLU A 162 1.736 -20.109 -10.739 1.00 0.68 H new ATOM 0 HB2 GLU A 162 2.018 -22.541 -9.697 1.00 0.80 H new ATOM 0 HB3 GLU A 162 0.266 -22.547 -9.749 1.00 0.80 H new ATOM 0 HG2 GLU A 162 0.371 -22.014 -12.196 1.00 0.88 H new ATOM 0 HG3 GLU A 162 2.119 -22.110 -12.118 1.00 0.88 H new ATOM 1935 N MET A 163 -0.438 -18.759 -9.933 1.00 0.56 N ATOM 1936 CA MET A 163 -1.755 -18.139 -9.990 1.00 0.50 C ATOM 1937 C MET A 163 -1.676 -16.728 -10.567 1.00 0.43 C ATOM 1938 O MET A 163 -2.290 -15.799 -10.044 1.00 0.47 O ATOM 1939 CB MET A 163 -2.383 -18.100 -8.594 1.00 0.54 C ATOM 1940 CG MET A 163 -3.168 -19.354 -8.246 1.00 0.72 C ATOM 1941 SD MET A 163 -2.732 -20.020 -6.627 1.00 1.42 S ATOM 1942 CE MET A 163 -4.357 -20.289 -5.922 1.00 1.36 C ATOM 0 H MET A 163 0.333 -18.104 -9.804 1.00 0.56 H new ATOM 0 HA MET A 163 -2.382 -18.741 -10.648 1.00 0.50 H new ATOM 0 HB2 MET A 163 -1.595 -17.957 -7.854 1.00 0.54 H new ATOM 0 HB3 MET A 163 -3.045 -17.236 -8.526 1.00 0.54 H new ATOM 0 HG2 MET A 163 -4.234 -19.128 -8.266 1.00 0.72 H new ATOM 0 HG3 MET A 163 -2.989 -20.113 -9.007 1.00 0.72 H new ATOM 0 HE1 MET A 163 -4.373 -19.923 -4.895 1.00 1.36 H new ATOM 0 HE2 MET A 163 -5.102 -19.753 -6.510 1.00 1.36 H new ATOM 0 HE3 MET A 163 -4.586 -21.355 -5.931 1.00 1.36 H new ATOM 1952 N SER A 164 -0.924 -16.575 -11.651 1.00 0.49 N ATOM 1953 CA SER A 164 -0.782 -15.275 -12.299 1.00 0.50 C ATOM 1954 C SER A 164 -2.151 -14.644 -12.553 1.00 0.46 C ATOM 1955 O SER A 164 -2.378 -13.483 -12.213 1.00 0.46 O ATOM 1956 CB SER A 164 -0.019 -15.418 -13.617 1.00 0.63 C ATOM 1957 OG SER A 164 -0.802 -14.968 -14.710 1.00 1.57 O ATOM 0 H SER A 164 -0.405 -17.331 -12.099 1.00 0.49 H new ATOM 0 HA SER A 164 -0.218 -14.623 -11.632 1.00 0.50 H new ATOM 0 HB2 SER A 164 0.907 -14.845 -13.569 1.00 0.63 H new ATOM 0 HB3 SER A 164 0.258 -16.461 -13.769 1.00 0.63 H new ATOM 0 HG SER A 164 -0.292 -15.068 -15.541 1.00 1.57 H new ATOM 1963 N PRO A 165 -3.091 -15.404 -13.150 1.00 0.50 N ATOM 1964 CA PRO A 165 -4.441 -14.910 -13.434 1.00 0.51 C ATOM 1965 C PRO A 165 -5.070 -14.211 -12.231 1.00 0.45 C ATOM 1966 O PRO A 165 -5.854 -13.276 -12.385 1.00 0.45 O ATOM 1967 CB PRO A 165 -5.217 -16.181 -13.779 1.00 0.60 C ATOM 1968 CG PRO A 165 -4.190 -17.106 -14.329 1.00 0.71 C ATOM 1969 CD PRO A 165 -2.915 -16.803 -13.589 1.00 0.58 C ATOM 0 HA PRO A 165 -4.443 -14.163 -14.228 1.00 0.51 H new ATOM 0 HB2 PRO A 165 -5.700 -16.603 -12.898 1.00 0.60 H new ATOM 0 HB3 PRO A 165 -6.002 -15.981 -14.508 1.00 0.60 H new ATOM 0 HG2 PRO A 165 -4.486 -18.145 -14.186 1.00 0.71 H new ATOM 0 HG3 PRO A 165 -4.064 -16.955 -15.401 1.00 0.71 H new ATOM 0 HD2 PRO A 165 -2.774 -17.474 -12.742 1.00 0.58 H new ATOM 0 HD3 PRO A 165 -2.042 -16.914 -14.232 1.00 0.58 H new ATOM 1977 N LEU A 166 -4.726 -14.680 -11.034 1.00 0.44 N ATOM 1978 CA LEU A 166 -5.265 -14.108 -9.804 1.00 0.41 C ATOM 1979 C LEU A 166 -4.998 -12.607 -9.724 1.00 0.37 C ATOM 1980 O LEU A 166 -5.743 -11.872 -9.074 1.00 0.36 O ATOM 1981 CB LEU A 166 -4.663 -14.809 -8.586 1.00 0.44 C ATOM 1982 CG LEU A 166 -5.582 -14.893 -7.366 1.00 0.64 C ATOM 1983 CD1 LEU A 166 -6.865 -15.630 -7.715 1.00 1.26 C ATOM 1984 CD2 LEU A 166 -4.871 -15.577 -6.209 1.00 1.71 C ATOM 0 H LEU A 166 -4.077 -15.454 -10.890 1.00 0.44 H new ATOM 0 HA LEU A 166 -6.344 -14.261 -9.811 1.00 0.41 H new ATOM 0 HB2 LEU A 166 -4.374 -15.820 -8.874 1.00 0.44 H new ATOM 0 HB3 LEU A 166 -3.751 -14.286 -8.299 1.00 0.44 H new ATOM 0 HG LEU A 166 -5.841 -13.879 -7.059 1.00 0.64 H new ATOM 0 HD11 LEU A 166 -7.507 -15.680 -6.835 1.00 1.26 H new ATOM 0 HD12 LEU A 166 -7.384 -15.099 -8.513 1.00 1.26 H new ATOM 0 HD13 LEU A 166 -6.625 -16.640 -8.047 1.00 1.26 H new ATOM 0 HD21 LEU A 166 -5.540 -15.628 -5.350 1.00 1.71 H new ATOM 0 HD22 LEU A 166 -4.583 -16.586 -6.504 1.00 1.71 H new ATOM 0 HD23 LEU A 166 -3.980 -15.008 -5.942 1.00 1.71 H new ATOM 1996 N VAL A 167 -3.938 -12.152 -10.385 1.00 0.36 N ATOM 1997 CA VAL A 167 -3.591 -10.736 -10.380 1.00 0.36 C ATOM 1998 C VAL A 167 -4.776 -9.882 -10.814 1.00 0.35 C ATOM 1999 O VAL A 167 -4.932 -8.746 -10.365 1.00 0.35 O ATOM 2000 CB VAL A 167 -2.397 -10.446 -11.308 1.00 0.40 C ATOM 2001 CG1 VAL A 167 -1.191 -11.279 -10.903 1.00 0.43 C ATOM 2002 CG2 VAL A 167 -2.773 -10.708 -12.759 1.00 0.40 C ATOM 0 H VAL A 167 -3.307 -12.741 -10.929 1.00 0.36 H new ATOM 0 HA VAL A 167 -3.315 -10.481 -9.357 1.00 0.36 H new ATOM 0 HB VAL A 167 -2.131 -9.393 -11.210 1.00 0.40 H new ATOM 0 HG11 VAL A 167 -0.357 -11.060 -11.570 1.00 0.43 H new ATOM 0 HG12 VAL A 167 -0.909 -11.037 -9.878 1.00 0.43 H new ATOM 0 HG13 VAL A 167 -1.441 -12.338 -10.970 1.00 0.43 H new ATOM 0 HG21 VAL A 167 -1.917 -10.498 -13.400 1.00 0.40 H new ATOM 0 HG22 VAL A 167 -3.067 -11.751 -12.876 1.00 0.40 H new ATOM 0 HG23 VAL A 167 -3.605 -10.063 -13.041 1.00 0.40 H new ATOM 2012 N ASP A 168 -5.611 -10.437 -11.685 1.00 0.35 N ATOM 2013 CA ASP A 168 -6.787 -9.720 -12.173 1.00 0.37 C ATOM 2014 C ASP A 168 -7.819 -9.574 -11.060 1.00 0.35 C ATOM 2015 O ASP A 168 -8.368 -8.495 -10.842 1.00 0.36 O ATOM 2016 CB ASP A 168 -7.436 -10.442 -13.367 1.00 0.42 C ATOM 2017 CG ASP A 168 -6.457 -11.235 -14.217 1.00 0.94 C ATOM 2018 OD1 ASP A 168 -5.244 -10.951 -14.158 1.00 1.53 O ATOM 2019 OD2 ASP A 168 -6.909 -12.145 -14.942 1.00 1.72 O ATOM 0 H ASP A 168 -5.498 -11.376 -12.067 1.00 0.35 H new ATOM 0 HA ASP A 168 -6.452 -8.736 -12.501 1.00 0.37 H new ATOM 0 HB2 ASP A 168 -8.207 -11.116 -12.995 1.00 0.42 H new ATOM 0 HB3 ASP A 168 -7.934 -9.705 -13.997 1.00 0.42 H new ATOM 2024 N ASN A 169 -8.076 -10.676 -10.359 1.00 0.34 N ATOM 2025 CA ASN A 169 -9.042 -10.682 -9.266 1.00 0.34 C ATOM 2026 C ASN A 169 -8.639 -9.685 -8.186 1.00 0.31 C ATOM 2027 O ASN A 169 -9.488 -9.025 -7.587 1.00 0.32 O ATOM 2028 CB ASN A 169 -9.155 -12.085 -8.665 1.00 0.37 C ATOM 2029 CG ASN A 169 -10.160 -12.951 -9.398 1.00 0.99 C ATOM 2030 OD1 ASN A 169 -10.422 -12.748 -10.584 1.00 1.96 O ATOM 2031 ND2 ASN A 169 -10.728 -13.922 -8.694 1.00 1.44 N ATOM 0 H ASN A 169 -7.628 -11.576 -10.530 1.00 0.34 H new ATOM 0 HA ASN A 169 -10.012 -10.388 -9.666 1.00 0.34 H new ATOM 0 HB2 ASN A 169 -8.178 -12.567 -8.690 1.00 0.37 H new ATOM 0 HB3 ASN A 169 -9.444 -12.006 -7.617 1.00 0.37 H new ATOM 0 HD21 ASN A 169 -11.413 -14.537 -9.134 1.00 1.44 H new ATOM 0 HD22 ASN A 169 -10.480 -14.053 -7.713 1.00 1.44 H new ATOM 2038 N ILE A 170 -7.336 -9.580 -7.944 1.00 0.32 N ATOM 2039 CA ILE A 170 -6.819 -8.661 -6.937 1.00 0.30 C ATOM 2040 C ILE A 170 -7.153 -7.217 -7.293 1.00 0.29 C ATOM 2041 O ILE A 170 -7.741 -6.491 -6.493 1.00 0.28 O ATOM 2042 CB ILE A 170 -5.294 -8.803 -6.773 1.00 0.33 C ATOM 2043 CG1 ILE A 170 -4.945 -10.195 -6.241 1.00 0.47 C ATOM 2044 CG2 ILE A 170 -4.760 -7.726 -5.841 1.00 0.49 C ATOM 2045 CD1 ILE A 170 -4.378 -10.180 -4.837 1.00 0.39 C ATOM 0 H ILE A 170 -6.620 -10.119 -8.431 1.00 0.32 H new ATOM 0 HA ILE A 170 -7.299 -8.920 -5.994 1.00 0.30 H new ATOM 0 HB ILE A 170 -4.824 -8.678 -7.749 1.00 0.33 H new ATOM 0 HG12 ILE A 170 -5.841 -10.816 -6.256 1.00 0.47 H new ATOM 0 HG13 ILE A 170 -4.223 -10.661 -6.911 1.00 0.47 H new ATOM 0 HG21 ILE A 170 -3.681 -7.839 -5.735 1.00 0.49 H new ATOM 0 HG22 ILE A 170 -4.983 -6.743 -6.256 1.00 0.49 H new ATOM 0 HG23 ILE A 170 -5.233 -7.823 -4.864 1.00 0.49 H new ATOM 0 HD11 ILE A 170 -4.154 -11.200 -4.524 1.00 0.39 H new ATOM 0 HD12 ILE A 170 -3.464 -9.586 -4.820 1.00 0.39 H new ATOM 0 HD13 ILE A 170 -5.107 -9.744 -4.155 1.00 0.39 H new ATOM 2057 N ALA A 171 -6.780 -6.809 -8.503 1.00 0.32 N ATOM 2058 CA ALA A 171 -7.051 -5.453 -8.964 1.00 0.33 C ATOM 2059 C ALA A 171 -8.539 -5.133 -8.855 1.00 0.31 C ATOM 2060 O ALA A 171 -8.920 -3.988 -8.639 1.00 0.31 O ATOM 2061 CB ALA A 171 -6.572 -5.276 -10.397 1.00 0.38 C ATOM 0 H ALA A 171 -6.291 -7.396 -9.179 1.00 0.32 H new ATOM 0 HA ALA A 171 -6.505 -4.758 -8.326 1.00 0.33 H new ATOM 0 HB1 ALA A 171 -6.781 -4.259 -10.727 1.00 0.38 H new ATOM 0 HB2 ALA A 171 -5.499 -5.461 -10.447 1.00 0.38 H new ATOM 0 HB3 ALA A 171 -7.092 -5.982 -11.044 1.00 0.38 H new ATOM 2067 N LEU A 172 -9.375 -6.156 -9.005 1.00 0.30 N ATOM 2068 CA LEU A 172 -10.822 -5.979 -8.922 1.00 0.30 C ATOM 2069 C LEU A 172 -11.245 -5.592 -7.508 1.00 0.28 C ATOM 2070 O LEU A 172 -11.967 -4.616 -7.310 1.00 0.29 O ATOM 2071 CB LEU A 172 -11.538 -7.263 -9.346 1.00 0.32 C ATOM 2072 CG LEU A 172 -12.244 -7.193 -10.700 1.00 0.37 C ATOM 2073 CD1 LEU A 172 -13.201 -6.012 -10.745 1.00 0.54 C ATOM 2074 CD2 LEU A 172 -11.226 -7.099 -11.827 1.00 0.36 C ATOM 0 H LEU A 172 -9.077 -7.115 -9.184 1.00 0.30 H new ATOM 0 HA LEU A 172 -11.103 -5.172 -9.599 1.00 0.30 H new ATOM 0 HB2 LEU A 172 -10.811 -8.074 -9.374 1.00 0.32 H new ATOM 0 HB3 LEU A 172 -12.273 -7.520 -8.583 1.00 0.32 H new ATOM 0 HG LEU A 172 -12.823 -8.107 -10.833 1.00 0.37 H new ATOM 0 HD11 LEU A 172 -13.694 -5.980 -11.717 1.00 0.54 H new ATOM 0 HD12 LEU A 172 -13.951 -6.121 -9.962 1.00 0.54 H new ATOM 0 HD13 LEU A 172 -12.645 -5.087 -10.589 1.00 0.54 H new ATOM 0 HD21 LEU A 172 -11.746 -7.050 -12.784 1.00 0.36 H new ATOM 0 HD22 LEU A 172 -10.621 -6.202 -11.697 1.00 0.36 H new ATOM 0 HD23 LEU A 172 -10.581 -7.978 -11.809 1.00 0.36 H new ATOM 2086 N TRP A 173 -10.790 -6.365 -6.528 1.00 0.26 N ATOM 2087 CA TRP A 173 -11.123 -6.107 -5.131 1.00 0.25 C ATOM 2088 C TRP A 173 -10.540 -4.776 -4.667 1.00 0.24 C ATOM 2089 O TRP A 173 -11.166 -4.050 -3.894 1.00 0.23 O ATOM 2090 CB TRP A 173 -10.608 -7.242 -4.246 1.00 0.27 C ATOM 2091 CG TRP A 173 -11.024 -8.601 -4.719 1.00 0.27 C ATOM 2092 CD1 TRP A 173 -12.180 -8.924 -5.369 1.00 0.28 C ATOM 2093 CD2 TRP A 173 -10.287 -9.821 -4.579 1.00 0.29 C ATOM 2094 NE1 TRP A 173 -12.208 -10.271 -5.642 1.00 0.31 N ATOM 2095 CE2 TRP A 173 -11.057 -10.843 -5.166 1.00 0.32 C ATOM 2096 CE3 TRP A 173 -9.051 -10.148 -4.015 1.00 0.30 C ATOM 2097 CZ2 TRP A 173 -10.630 -12.168 -5.205 1.00 0.36 C ATOM 2098 CZ3 TRP A 173 -8.628 -11.464 -4.053 1.00 0.34 C ATOM 2099 CH2 TRP A 173 -9.416 -12.459 -4.645 1.00 0.37 C ATOM 0 H TRP A 173 -10.189 -7.176 -6.675 1.00 0.26 H new ATOM 0 HA TRP A 173 -12.208 -6.053 -5.046 1.00 0.25 H new ATOM 0 HB2 TRP A 173 -9.520 -7.197 -4.206 1.00 0.27 H new ATOM 0 HB3 TRP A 173 -10.970 -7.093 -3.229 1.00 0.27 H new ATOM 0 HD1 TRP A 173 -12.959 -8.223 -5.631 1.00 0.28 H new ATOM 0 HE1 TRP A 173 -12.962 -10.764 -6.120 1.00 0.31 H new ATOM 0 HE3 TRP A 173 -8.437 -9.386 -3.558 1.00 0.30 H new ATOM 0 HZ2 TRP A 173 -11.235 -12.938 -5.661 1.00 0.36 H new ATOM 0 HZ3 TRP A 173 -7.675 -11.729 -3.619 1.00 0.34 H new ATOM 0 HH2 TRP A 173 -9.058 -13.478 -4.660 1.00 0.37 H new ATOM 2110 N MET A 174 -9.342 -4.460 -5.145 1.00 0.26 N ATOM 2111 CA MET A 174 -8.679 -3.215 -4.778 1.00 0.26 C ATOM 2112 C MET A 174 -9.498 -2.012 -5.235 1.00 0.25 C ATOM 2113 O MET A 174 -9.575 -1.000 -4.541 1.00 0.26 O ATOM 2114 CB MET A 174 -7.280 -3.158 -5.394 1.00 0.32 C ATOM 2115 CG MET A 174 -6.182 -3.633 -4.457 1.00 0.86 C ATOM 2116 SD MET A 174 -6.680 -5.052 -3.462 1.00 1.59 S ATOM 2117 CE MET A 174 -5.616 -4.857 -2.036 1.00 1.18 C ATOM 0 H MET A 174 -8.811 -5.048 -5.787 1.00 0.26 H new ATOM 0 HA MET A 174 -8.591 -3.183 -3.692 1.00 0.26 H new ATOM 0 HB2 MET A 174 -7.265 -3.768 -6.297 1.00 0.32 H new ATOM 0 HB3 MET A 174 -7.068 -2.133 -5.699 1.00 0.32 H new ATOM 0 HG2 MET A 174 -5.300 -3.896 -5.041 1.00 0.86 H new ATOM 0 HG3 MET A 174 -5.894 -2.815 -3.797 1.00 0.86 H new ATOM 0 HE1 MET A 174 -5.193 -5.824 -1.763 1.00 1.18 H new ATOM 0 HE2 MET A 174 -4.810 -4.163 -2.275 1.00 1.18 H new ATOM 0 HE3 MET A 174 -6.196 -4.465 -1.200 1.00 1.18 H new ATOM 2127 N THR A 175 -10.105 -2.135 -6.409 1.00 0.27 N ATOM 2128 CA THR A 175 -10.919 -1.065 -6.972 1.00 0.29 C ATOM 2129 C THR A 175 -12.248 -0.943 -6.237 1.00 0.27 C ATOM 2130 O THR A 175 -12.797 0.150 -6.111 1.00 0.29 O ATOM 2131 CB THR A 175 -11.124 -1.309 -8.453 1.00 0.33 C ATOM 2132 OG1 THR A 175 -11.848 -2.506 -8.677 1.00 0.48 O ATOM 2133 CG2 THR A 175 -9.808 -1.413 -9.178 1.00 0.31 C ATOM 0 H THR A 175 -10.048 -2.970 -6.992 1.00 0.27 H new ATOM 0 HA THR A 175 -10.397 -0.117 -6.845 1.00 0.29 H new ATOM 0 HB THR A 175 -11.687 -0.458 -8.835 1.00 0.33 H new ATOM 0 HG1 THR A 175 -11.788 -3.078 -7.884 1.00 0.48 H new ATOM 0 HG21 THR A 175 -9.990 -1.588 -10.238 1.00 0.31 H new ATOM 0 HG22 THR A 175 -9.250 -0.485 -9.054 1.00 0.31 H new ATOM 0 HG23 THR A 175 -9.231 -2.241 -8.767 1.00 0.31 H new ATOM 2141 N GLU A 176 -12.758 -2.067 -5.741 1.00 0.25 N ATOM 2142 CA GLU A 176 -14.018 -2.062 -5.009 1.00 0.26 C ATOM 2143 C GLU A 176 -13.858 -1.344 -3.680 1.00 0.25 C ATOM 2144 O GLU A 176 -14.598 -0.415 -3.384 1.00 0.29 O ATOM 2145 CB GLU A 176 -14.501 -3.495 -4.775 1.00 0.31 C ATOM 2146 CG GLU A 176 -16.012 -3.643 -4.806 1.00 0.50 C ATOM 2147 CD GLU A 176 -16.618 -3.171 -6.114 1.00 0.82 C ATOM 2148 OE1 GLU A 176 -16.197 -3.670 -7.177 1.00 1.23 O ATOM 2149 OE2 GLU A 176 -17.515 -2.302 -6.073 1.00 1.62 O ATOM 0 H GLU A 176 -12.322 -2.985 -5.832 1.00 0.25 H new ATOM 0 HA GLU A 176 -14.761 -1.532 -5.605 1.00 0.26 H new ATOM 0 HB2 GLU A 176 -14.066 -4.144 -5.535 1.00 0.31 H new ATOM 0 HB3 GLU A 176 -14.131 -3.841 -3.810 1.00 0.31 H new ATOM 0 HG2 GLU A 176 -16.274 -4.689 -4.645 1.00 0.50 H new ATOM 0 HG3 GLU A 176 -16.446 -3.075 -3.983 1.00 0.50 H new ATOM 2156 N TYR A 177 -12.873 -1.772 -2.894 1.00 0.25 N ATOM 2157 CA TYR A 177 -12.610 -1.164 -1.593 1.00 0.26 C ATOM 2158 C TYR A 177 -12.071 0.251 -1.746 1.00 0.26 C ATOM 2159 O TYR A 177 -12.526 1.169 -1.063 1.00 0.28 O ATOM 2160 CB TYR A 177 -11.617 -2.017 -0.801 1.00 0.28 C ATOM 2161 CG TYR A 177 -12.266 -2.866 0.267 1.00 0.31 C ATOM 2162 CD1 TYR A 177 -12.729 -4.145 -0.020 1.00 1.24 C ATOM 2163 CD2 TYR A 177 -12.418 -2.390 1.563 1.00 1.12 C ATOM 2164 CE1 TYR A 177 -13.324 -4.924 0.954 1.00 1.31 C ATOM 2165 CE2 TYR A 177 -13.012 -3.163 2.543 1.00 1.16 C ATOM 2166 CZ TYR A 177 -13.463 -4.429 2.233 1.00 0.57 C ATOM 2167 OH TYR A 177 -14.055 -5.202 3.206 1.00 0.73 O ATOM 0 H TYR A 177 -12.244 -2.538 -3.136 1.00 0.25 H new ATOM 0 HA TYR A 177 -13.554 -1.113 -1.050 1.00 0.26 H new ATOM 0 HB2 TYR A 177 -11.077 -2.666 -1.491 1.00 0.28 H new ATOM 0 HB3 TYR A 177 -10.880 -1.363 -0.335 1.00 0.28 H new ATOM 0 HD1 TYR A 177 -12.622 -4.536 -1.021 1.00 1.24 H new ATOM 0 HD2 TYR A 177 -12.066 -1.399 1.809 1.00 1.12 H new ATOM 0 HE1 TYR A 177 -13.678 -5.916 0.714 1.00 1.31 H new ATOM 0 HE2 TYR A 177 -13.122 -2.778 3.546 1.00 1.16 H new ATOM 0 HH TYR A 177 -14.074 -4.706 4.051 1.00 0.73 H new ATOM 2177 N LEU A 178 -11.103 0.426 -2.641 1.00 0.25 N ATOM 2178 CA LEU A 178 -10.524 1.741 -2.865 1.00 0.28 C ATOM 2179 C LEU A 178 -11.636 2.761 -3.098 1.00 0.29 C ATOM 2180 O LEU A 178 -11.706 3.786 -2.432 1.00 0.31 O ATOM 2181 CB LEU A 178 -9.565 1.722 -4.055 1.00 0.29 C ATOM 2182 CG LEU A 178 -8.867 3.052 -4.339 1.00 0.40 C ATOM 2183 CD1 LEU A 178 -7.552 2.820 -5.064 1.00 0.53 C ATOM 2184 CD2 LEU A 178 -9.774 3.965 -5.150 1.00 0.64 C ATOM 0 H LEU A 178 -10.709 -0.319 -3.216 1.00 0.25 H new ATOM 0 HA LEU A 178 -9.955 2.024 -1.979 1.00 0.28 H new ATOM 0 HB2 LEU A 178 -8.806 0.960 -3.879 1.00 0.29 H new ATOM 0 HB3 LEU A 178 -10.119 1.421 -4.945 1.00 0.29 H new ATOM 0 HG LEU A 178 -8.651 3.539 -3.388 1.00 0.40 H new ATOM 0 HD11 LEU A 178 -7.069 3.778 -5.258 1.00 0.53 H new ATOM 0 HD12 LEU A 178 -6.900 2.203 -4.446 1.00 0.53 H new ATOM 0 HD13 LEU A 178 -7.742 2.312 -6.009 1.00 0.53 H new ATOM 0 HD21 LEU A 178 -9.262 4.908 -5.344 1.00 0.64 H new ATOM 0 HD22 LEU A 178 -10.021 3.485 -6.097 1.00 0.64 H new ATOM 0 HD23 LEU A 178 -10.690 4.158 -4.591 1.00 0.64 H new ATOM 2196 N ASN A 179 -12.522 2.468 -4.037 1.00 0.30 N ATOM 2197 CA ASN A 179 -13.624 3.372 -4.334 1.00 0.33 C ATOM 2198 C ASN A 179 -14.703 3.328 -3.255 1.00 0.35 C ATOM 2199 O ASN A 179 -15.389 4.320 -3.018 1.00 0.38 O ATOM 2200 CB ASN A 179 -14.236 3.034 -5.693 1.00 0.37 C ATOM 2201 CG ASN A 179 -15.706 2.678 -5.593 1.00 1.07 C ATOM 2202 OD1 ASN A 179 -16.549 3.539 -5.339 1.00 1.63 O ATOM 2203 ND2 ASN A 179 -16.023 1.404 -5.793 1.00 1.81 N ATOM 0 H ASN A 179 -12.501 1.619 -4.603 1.00 0.30 H new ATOM 0 HA ASN A 179 -13.217 4.383 -4.359 1.00 0.33 H new ATOM 0 HB2 ASN A 179 -14.116 3.885 -6.364 1.00 0.37 H new ATOM 0 HB3 ASN A 179 -13.692 2.199 -6.136 1.00 0.37 H new ATOM 0 HD21 ASN A 179 -16.997 1.106 -5.739 1.00 1.81 H new ATOM 0 HD22 ASN A 179 -15.292 0.723 -6.001 1.00 1.81 H new ATOM 2210 N ARG A 180 -14.865 2.182 -2.601 1.00 0.35 N ATOM 2211 CA ARG A 180 -15.880 2.064 -1.560 1.00 0.39 C ATOM 2212 C ARG A 180 -15.554 2.969 -0.369 1.00 0.45 C ATOM 2213 O ARG A 180 -16.450 3.351 0.383 1.00 0.70 O ATOM 2214 CB ARG A 180 -16.024 0.622 -1.061 1.00 0.39 C ATOM 2215 CG ARG A 180 -17.302 -0.064 -1.530 1.00 0.50 C ATOM 2216 CD ARG A 180 -17.305 -0.298 -3.032 1.00 0.98 C ATOM 2217 NE ARG A 180 -18.652 -0.536 -3.547 1.00 1.69 N ATOM 2218 CZ ARG A 180 -19.537 0.428 -3.797 1.00 2.22 C ATOM 2219 NH1 ARG A 180 -19.226 1.700 -3.577 1.00 2.50 N ATOM 2220 NH2 ARG A 180 -20.736 0.118 -4.268 1.00 3.07 N ATOM 0 H ARG A 180 -14.318 1.337 -2.768 1.00 0.35 H new ATOM 0 HA ARG A 180 -16.822 2.375 -2.011 1.00 0.39 H new ATOM 0 HB2 ARG A 180 -15.166 0.042 -1.400 1.00 0.39 H new ATOM 0 HB3 ARG A 180 -16.000 0.620 0.029 1.00 0.39 H new ATOM 0 HG2 ARG A 180 -17.411 -1.018 -1.014 1.00 0.50 H new ATOM 0 HG3 ARG A 180 -18.162 0.547 -1.257 1.00 0.50 H new ATOM 0 HD2 ARG A 180 -16.873 0.567 -3.534 1.00 0.98 H new ATOM 0 HD3 ARG A 180 -16.671 -1.153 -3.267 1.00 0.98 H new ATOM 0 HE ARG A 180 -18.932 -1.500 -3.726 1.00 1.69 H new ATOM 0 HH11 ARG A 180 -18.305 1.944 -3.214 1.00 2.50 H new ATOM 0 HH12 ARG A 180 -19.909 2.433 -3.771 1.00 2.50 H new ATOM 0 HH21 ARG A 180 -20.980 -0.857 -4.439 1.00 3.07 H new ATOM 0 HH22 ARG A 180 -21.415 0.855 -4.460 1.00 3.07 H new ATOM 2234 N HIS A 181 -14.272 3.300 -0.185 1.00 0.39 N ATOM 2235 CA HIS A 181 -13.868 4.146 0.939 1.00 0.48 C ATOM 2236 C HIS A 181 -13.022 5.343 0.507 1.00 0.41 C ATOM 2237 O HIS A 181 -13.342 6.482 0.846 1.00 0.40 O ATOM 2238 CB HIS A 181 -13.098 3.334 1.976 1.00 0.65 C ATOM 2239 CG HIS A 181 -12.355 4.195 2.946 1.00 0.70 C ATOM 2240 ND1 HIS A 181 -12.919 5.293 3.560 1.00 0.97 N ATOM 2241 CD2 HIS A 181 -11.081 4.129 3.395 1.00 0.62 C ATOM 2242 CE1 HIS A 181 -12.022 5.868 4.341 1.00 0.96 C ATOM 2243 NE2 HIS A 181 -10.900 5.180 4.258 1.00 0.73 N ATOM 0 H HIS A 181 -13.508 3.000 -0.790 1.00 0.39 H new ATOM 0 HA HIS A 181 -14.789 4.531 1.376 1.00 0.48 H new ATOM 0 HB2 HIS A 181 -13.793 2.696 2.521 1.00 0.65 H new ATOM 0 HB3 HIS A 181 -12.394 2.676 1.467 1.00 0.65 H new ATOM 0 HD1 HIS A 181 -13.879 5.612 3.431 1.00 0.97 H new ATOM 0 HD2 HIS A 181 -10.344 3.387 3.125 1.00 0.62 H new ATOM 0 HE1 HIS A 181 -12.180 6.750 4.944 1.00 0.96 H new ATOM 2251 N LEU A 182 -11.924 5.091 -0.201 1.00 0.39 N ATOM 2252 CA LEU A 182 -11.038 6.177 -0.612 1.00 0.37 C ATOM 2253 C LEU A 182 -11.715 7.179 -1.542 1.00 0.39 C ATOM 2254 O LEU A 182 -11.691 8.378 -1.269 1.00 0.72 O ATOM 2255 CB LEU A 182 -9.748 5.660 -1.270 1.00 0.38 C ATOM 2256 CG LEU A 182 -8.708 5.080 -0.311 1.00 0.35 C ATOM 2257 CD1 LEU A 182 -9.379 4.231 0.751 1.00 0.44 C ATOM 2258 CD2 LEU A 182 -7.675 4.264 -1.075 1.00 0.53 C ATOM 0 H LEU A 182 -11.629 4.161 -0.498 1.00 0.39 H new ATOM 0 HA LEU A 182 -10.780 6.694 0.312 1.00 0.37 H new ATOM 0 HB2 LEU A 182 -10.014 4.893 -1.997 1.00 0.38 H new ATOM 0 HB3 LEU A 182 -9.289 6.479 -1.824 1.00 0.38 H new ATOM 0 HG LEU A 182 -8.196 5.906 0.183 1.00 0.35 H new ATOM 0 HD11 LEU A 182 -8.623 3.827 1.424 1.00 0.44 H new ATOM 0 HD12 LEU A 182 -10.080 4.844 1.318 1.00 0.44 H new ATOM 0 HD13 LEU A 182 -9.917 3.411 0.275 1.00 0.44 H new ATOM 0 HD21 LEU A 182 -6.943 3.859 -0.377 1.00 0.53 H new ATOM 0 HD22 LEU A 182 -8.171 3.445 -1.596 1.00 0.53 H new ATOM 0 HD23 LEU A 182 -7.170 4.903 -1.800 1.00 0.53 H new ATOM 2270 N HIS A 183 -12.290 6.694 -2.644 1.00 0.38 N ATOM 2271 CA HIS A 183 -12.948 7.571 -3.618 1.00 0.40 C ATOM 2272 C HIS A 183 -13.771 8.656 -2.931 1.00 0.37 C ATOM 2273 O HIS A 183 -13.795 9.804 -3.373 1.00 0.47 O ATOM 2274 CB HIS A 183 -13.850 6.759 -4.546 1.00 0.51 C ATOM 2275 CG HIS A 183 -14.778 7.600 -5.366 1.00 0.66 C ATOM 2276 ND1 HIS A 183 -14.407 8.804 -5.926 1.00 1.58 N ATOM 2277 CD2 HIS A 183 -16.071 7.406 -5.720 1.00 0.74 C ATOM 2278 CE1 HIS A 183 -15.431 9.314 -6.589 1.00 1.59 C ATOM 2279 NE2 HIS A 183 -16.451 8.484 -6.479 1.00 0.83 N ATOM 0 H HIS A 183 -12.314 5.703 -2.885 1.00 0.38 H new ATOM 0 HA HIS A 183 -12.164 8.052 -4.202 1.00 0.40 H new ATOM 0 HB2 HIS A 183 -13.228 6.163 -5.213 1.00 0.51 H new ATOM 0 HB3 HIS A 183 -14.437 6.061 -3.949 1.00 0.51 H new ATOM 0 HD2 HIS A 183 -16.688 6.560 -5.454 1.00 0.74 H new ATOM 0 HE1 HIS A 183 -15.432 10.250 -7.128 1.00 1.59 H new ATOM 0 HE2 HIS A 183 -17.374 8.622 -6.892 1.00 0.83 H new ATOM 2287 N THR A 184 -14.437 8.285 -1.843 1.00 0.37 N ATOM 2288 CA THR A 184 -15.253 9.227 -1.091 1.00 0.42 C ATOM 2289 C THR A 184 -14.374 10.268 -0.407 1.00 0.37 C ATOM 2290 O THR A 184 -14.672 11.462 -0.431 1.00 0.39 O ATOM 2291 CB THR A 184 -16.093 8.487 -0.048 1.00 0.54 C ATOM 2292 OG1 THR A 184 -15.887 7.089 -0.138 1.00 1.30 O ATOM 2293 CG2 THR A 184 -17.579 8.741 -0.186 1.00 1.07 C ATOM 0 H THR A 184 -14.427 7.338 -1.463 1.00 0.37 H new ATOM 0 HA THR A 184 -15.920 9.735 -1.787 1.00 0.42 H new ATOM 0 HB THR A 184 -15.762 8.874 0.916 1.00 0.54 H new ATOM 0 HG1 THR A 184 -15.037 6.855 0.290 1.00 1.30 H new ATOM 0 HG21 THR A 184 -18.116 8.187 0.584 1.00 1.07 H new ATOM 0 HG22 THR A 184 -17.778 9.807 -0.071 1.00 1.07 H new ATOM 0 HG23 THR A 184 -17.914 8.413 -1.170 1.00 1.07 H new ATOM 2301 N TRP A 185 -13.285 9.805 0.200 1.00 0.34 N ATOM 2302 CA TRP A 185 -12.354 10.692 0.886 1.00 0.34 C ATOM 2303 C TRP A 185 -11.575 11.537 -0.118 1.00 0.32 C ATOM 2304 O TRP A 185 -11.297 12.710 0.130 1.00 0.40 O ATOM 2305 CB TRP A 185 -11.386 9.881 1.748 1.00 0.36 C ATOM 2306 CG TRP A 185 -11.685 9.957 3.214 1.00 0.38 C ATOM 2307 CD1 TRP A 185 -12.426 9.074 3.945 1.00 0.43 C ATOM 2308 CD2 TRP A 185 -11.248 10.969 4.128 1.00 0.43 C ATOM 2309 NE1 TRP A 185 -12.476 9.475 5.258 1.00 0.49 N ATOM 2310 CE2 TRP A 185 -11.761 10.635 5.395 1.00 0.49 C ATOM 2311 CE3 TRP A 185 -10.472 12.124 3.997 1.00 0.46 C ATOM 2312 CZ2 TRP A 185 -11.524 11.417 6.524 1.00 0.58 C ATOM 2313 CZ3 TRP A 185 -10.237 12.898 5.117 1.00 0.55 C ATOM 2314 CH2 TRP A 185 -10.761 12.541 6.367 1.00 0.60 C ATOM 0 H TRP A 185 -13.026 8.819 0.230 1.00 0.34 H new ATOM 0 HA TRP A 185 -12.929 11.358 1.529 1.00 0.34 H new ATOM 0 HB2 TRP A 185 -11.417 8.838 1.432 1.00 0.36 H new ATOM 0 HB3 TRP A 185 -10.371 10.237 1.573 1.00 0.36 H new ATOM 0 HD1 TRP A 185 -12.903 8.190 3.549 1.00 0.43 H new ATOM 0 HE1 TRP A 185 -12.966 8.988 6.009 1.00 0.49 H new ATOM 0 HE3 TRP A 185 -10.064 12.406 3.038 1.00 0.46 H new ATOM 0 HZ2 TRP A 185 -11.928 11.145 7.488 1.00 0.58 H new ATOM 0 HZ3 TRP A 185 -9.639 13.793 5.028 1.00 0.55 H new ATOM 0 HH2 TRP A 185 -10.558 13.166 7.224 1.00 0.60 H new ATOM 2325 N ILE A 186 -11.219 10.934 -1.251 1.00 0.37 N ATOM 2326 CA ILE A 186 -10.467 11.641 -2.279 1.00 0.36 C ATOM 2327 C ILE A 186 -11.340 12.637 -3.038 1.00 0.38 C ATOM 2328 O ILE A 186 -10.972 13.802 -3.189 1.00 0.39 O ATOM 2329 CB ILE A 186 -9.761 10.673 -3.261 1.00 0.38 C ATOM 2330 CG1 ILE A 186 -10.675 10.280 -4.422 1.00 0.43 C ATOM 2331 CG2 ILE A 186 -9.282 9.434 -2.521 1.00 0.39 C ATOM 2332 CD1 ILE A 186 -10.057 9.269 -5.363 1.00 0.47 C ATOM 0 H ILE A 186 -11.439 9.964 -1.477 1.00 0.37 H new ATOM 0 HA ILE A 186 -9.692 12.202 -1.757 1.00 0.36 H new ATOM 0 HB ILE A 186 -8.901 11.194 -3.682 1.00 0.38 H new ATOM 0 HG12 ILE A 186 -11.603 9.871 -4.021 1.00 0.43 H new ATOM 0 HG13 ILE A 186 -10.938 11.175 -4.986 1.00 0.43 H new ATOM 0 HG21 ILE A 186 -8.787 8.761 -3.221 1.00 0.39 H new ATOM 0 HG22 ILE A 186 -8.580 9.725 -1.740 1.00 0.39 H new ATOM 0 HG23 ILE A 186 -10.135 8.927 -2.071 1.00 0.39 H new ATOM 0 HD11 ILE A 186 -10.762 9.037 -6.162 1.00 0.47 H new ATOM 0 HD12 ILE A 186 -9.144 9.682 -5.793 1.00 0.47 H new ATOM 0 HD13 ILE A 186 -9.819 8.358 -4.813 1.00 0.47 H new ATOM 2344 N GLN A 187 -12.495 12.185 -3.509 1.00 0.43 N ATOM 2345 CA GLN A 187 -13.406 13.052 -4.238 1.00 0.50 C ATOM 2346 C GLN A 187 -13.903 14.181 -3.341 1.00 0.54 C ATOM 2347 O GLN A 187 -13.901 15.349 -3.733 1.00 0.68 O ATOM 2348 CB GLN A 187 -14.592 12.248 -4.773 1.00 0.62 C ATOM 2349 CG GLN A 187 -15.247 12.870 -5.996 1.00 1.25 C ATOM 2350 CD GLN A 187 -15.665 14.308 -5.765 1.00 1.94 C ATOM 2351 OE1 GLN A 187 -16.483 14.530 -4.742 1.00 2.52 O flip ATOM 2352 NE2 GLN A 187 -15.258 15.210 -6.497 1.00 2.73 N flip ATOM 0 H GLN A 187 -12.821 11.225 -3.399 1.00 0.43 H new ATOM 0 HA GLN A 187 -12.866 13.486 -5.079 1.00 0.50 H new ATOM 0 HB2 GLN A 187 -14.255 11.242 -5.024 1.00 0.62 H new ATOM 0 HB3 GLN A 187 -15.337 12.147 -3.984 1.00 0.62 H new ATOM 0 HG2 GLN A 187 -14.554 12.827 -6.836 1.00 1.25 H new ATOM 0 HG3 GLN A 187 -16.121 12.282 -6.274 1.00 1.25 H new ATOM 0 HE21 GLN A 187 -14.631 14.994 -7.272 1.00 2.73 H new ATOM 0 HE22 GLN A 187 -15.548 16.173 -6.329 1.00 2.73 H new ATOM 2361 N ASP A 188 -14.330 13.819 -2.134 1.00 0.56 N ATOM 2362 CA ASP A 188 -14.834 14.792 -1.171 1.00 0.64 C ATOM 2363 C ASP A 188 -13.771 15.839 -0.850 1.00 0.68 C ATOM 2364 O ASP A 188 -14.091 16.989 -0.546 1.00 0.79 O ATOM 2365 CB ASP A 188 -15.279 14.088 0.112 1.00 0.74 C ATOM 2366 CG ASP A 188 -15.762 15.063 1.168 1.00 1.32 C ATOM 2367 OD1 ASP A 188 -16.945 15.460 1.113 1.00 2.21 O ATOM 2368 OD2 ASP A 188 -14.958 15.429 2.051 1.00 1.69 O ATOM 0 H ASP A 188 -14.337 12.855 -1.800 1.00 0.56 H new ATOM 0 HA ASP A 188 -15.692 15.296 -1.615 1.00 0.64 H new ATOM 0 HB2 ASP A 188 -16.078 13.384 -0.121 1.00 0.74 H new ATOM 0 HB3 ASP A 188 -14.448 13.506 0.511 1.00 0.74 H new ATOM 2373 N ASN A 189 -12.506 15.435 -0.917 1.00 0.71 N ATOM 2374 CA ASN A 189 -11.398 16.339 -0.632 1.00 0.94 C ATOM 2375 C ASN A 189 -10.605 16.650 -1.897 1.00 0.82 C ATOM 2376 O ASN A 189 -9.383 16.500 -1.929 1.00 1.50 O ATOM 2377 CB ASN A 189 -10.474 15.730 0.425 1.00 1.30 C ATOM 2378 CG ASN A 189 -9.640 16.777 1.137 1.00 1.81 C ATOM 2379 OD1 ASN A 189 -10.115 17.876 1.422 1.00 2.46 O ATOM 2380 ND2 ASN A 189 -8.390 16.440 1.427 1.00 2.15 N ATOM 0 H ASN A 189 -12.223 14.487 -1.166 1.00 0.71 H new ATOM 0 HA ASN A 189 -11.815 17.271 -0.249 1.00 0.94 H new ATOM 0 HB2 ASN A 189 -11.072 15.187 1.157 1.00 1.30 H new ATOM 0 HB3 ASN A 189 -9.813 15.004 -0.049 1.00 1.30 H new ATOM 0 HD21 ASN A 189 -7.781 17.104 1.905 1.00 2.15 H new ATOM 0 HD22 ASN A 189 -8.038 15.517 1.172 1.00 2.15 H new ATOM 2387 N GLY A 190 -11.307 17.086 -2.938 1.00 0.84 N ATOM 2388 CA GLY A 190 -10.650 17.413 -4.190 1.00 1.00 C ATOM 2389 C GLY A 190 -10.780 16.309 -5.222 1.00 1.03 C ATOM 2390 O GLY A 190 -11.722 16.298 -6.013 1.00 1.79 O ATOM 0 H GLY A 190 -12.318 17.219 -2.937 1.00 0.84 H new ATOM 0 HA2 GLY A 190 -11.077 18.332 -4.591 1.00 1.00 H new ATOM 0 HA3 GLY A 190 -9.594 17.607 -4.002 1.00 1.00 H new ATOM 2394 N GLY A 191 -9.830 15.381 -5.213 1.00 0.58 N ATOM 2395 CA GLY A 191 -9.855 14.281 -6.159 1.00 0.54 C ATOM 2396 C GLY A 191 -8.470 13.732 -6.442 1.00 0.48 C ATOM 2397 O GLY A 191 -7.533 13.974 -5.680 1.00 0.55 O ATOM 0 H GLY A 191 -9.041 15.371 -4.566 1.00 0.58 H new ATOM 0 HA2 GLY A 191 -10.486 13.483 -5.768 1.00 0.54 H new ATOM 0 HA3 GLY A 191 -10.307 14.617 -7.092 1.00 0.54 H new ATOM 2401 N TRP A 192 -8.339 12.994 -7.538 1.00 0.39 N ATOM 2402 CA TRP A 192 -7.057 12.412 -7.918 1.00 0.37 C ATOM 2403 C TRP A 192 -6.003 13.497 -8.113 1.00 0.35 C ATOM 2404 O TRP A 192 -4.835 13.313 -7.771 1.00 0.37 O ATOM 2405 CB TRP A 192 -7.205 11.600 -9.205 1.00 0.37 C ATOM 2406 CG TRP A 192 -7.735 10.217 -8.982 1.00 0.40 C ATOM 2407 CD1 TRP A 192 -8.287 9.725 -7.834 1.00 0.48 C ATOM 2408 CD2 TRP A 192 -7.762 9.147 -9.932 1.00 0.42 C ATOM 2409 NE1 TRP A 192 -8.657 8.414 -8.014 1.00 0.54 N ATOM 2410 CE2 TRP A 192 -8.345 8.037 -9.294 1.00 0.50 C ATOM 2411 CE3 TRP A 192 -7.351 9.022 -11.262 1.00 0.45 C ATOM 2412 CZ2 TRP A 192 -8.527 6.817 -9.942 1.00 0.59 C ATOM 2413 CZ3 TRP A 192 -7.532 7.812 -11.904 1.00 0.55 C ATOM 2414 CH2 TRP A 192 -8.115 6.724 -11.243 1.00 0.61 C ATOM 0 H TRP A 192 -9.104 12.784 -8.179 1.00 0.39 H new ATOM 0 HA TRP A 192 -6.733 11.753 -7.112 1.00 0.37 H new ATOM 0 HB2 TRP A 192 -7.871 12.130 -9.885 1.00 0.37 H new ATOM 0 HB3 TRP A 192 -6.235 11.534 -9.697 1.00 0.37 H new ATOM 0 HD1 TRP A 192 -8.414 10.284 -6.919 1.00 0.48 H new ATOM 0 HE1 TRP A 192 -9.093 7.819 -7.310 1.00 0.54 H new ATOM 0 HE3 TRP A 192 -6.900 9.856 -11.779 1.00 0.45 H new ATOM 0 HZ2 TRP A 192 -8.977 5.976 -9.436 1.00 0.59 H new ATOM 0 HZ3 TRP A 192 -7.219 7.704 -12.932 1.00 0.55 H new ATOM 0 HH2 TRP A 192 -8.242 5.791 -11.772 1.00 0.61 H new ATOM 2425 N ASP A 193 -6.424 14.627 -8.672 1.00 0.36 N ATOM 2426 CA ASP A 193 -5.520 15.743 -8.923 1.00 0.37 C ATOM 2427 C ASP A 193 -5.062 16.397 -7.620 1.00 0.34 C ATOM 2428 O ASP A 193 -3.995 17.002 -7.564 1.00 0.37 O ATOM 2429 CB ASP A 193 -6.201 16.784 -9.813 1.00 0.42 C ATOM 2430 CG ASP A 193 -7.428 17.390 -9.160 1.00 1.25 C ATOM 2431 OD1 ASP A 193 -8.375 16.633 -8.859 1.00 1.93 O ATOM 2432 OD2 ASP A 193 -7.441 18.621 -8.948 1.00 2.08 O ATOM 0 H ASP A 193 -7.388 14.794 -8.960 1.00 0.36 H new ATOM 0 HA ASP A 193 -4.640 15.349 -9.432 1.00 0.37 H new ATOM 0 HB2 ASP A 193 -5.490 17.576 -10.050 1.00 0.42 H new ATOM 0 HB3 ASP A 193 -6.487 16.320 -10.757 1.00 0.42 H new ATOM 2437 N ALA A 194 -5.870 16.279 -6.574 1.00 0.31 N ATOM 2438 CA ALA A 194 -5.526 16.869 -5.285 1.00 0.30 C ATOM 2439 C ALA A 194 -4.179 16.351 -4.790 1.00 0.26 C ATOM 2440 O ALA A 194 -3.354 17.114 -4.290 1.00 0.29 O ATOM 2441 CB ALA A 194 -6.615 16.577 -4.263 1.00 0.34 C ATOM 0 H ALA A 194 -6.762 15.784 -6.591 1.00 0.31 H new ATOM 0 HA ALA A 194 -5.447 17.948 -5.415 1.00 0.30 H new ATOM 0 HB1 ALA A 194 -6.345 17.023 -3.306 1.00 0.34 H new ATOM 0 HB2 ALA A 194 -7.559 16.999 -4.607 1.00 0.34 H new ATOM 0 HB3 ALA A 194 -6.722 15.499 -4.143 1.00 0.34 H new ATOM 2447 N PHE A 195 -3.970 15.046 -4.927 1.00 0.24 N ATOM 2448 CA PHE A 195 -2.728 14.416 -4.491 1.00 0.27 C ATOM 2449 C PHE A 195 -1.551 14.819 -5.370 1.00 0.34 C ATOM 2450 O PHE A 195 -0.455 15.072 -4.870 1.00 0.47 O ATOM 2451 CB PHE A 195 -2.878 12.894 -4.496 1.00 0.26 C ATOM 2452 CG PHE A 195 -1.583 12.166 -4.724 1.00 0.27 C ATOM 2453 CD1 PHE A 195 -0.517 12.336 -3.857 1.00 1.15 C ATOM 2454 CD2 PHE A 195 -1.434 11.314 -5.806 1.00 1.18 C ATOM 2455 CE1 PHE A 195 0.676 11.670 -4.065 1.00 1.18 C ATOM 2456 CE2 PHE A 195 -0.244 10.645 -6.019 1.00 1.18 C ATOM 2457 CZ PHE A 195 0.813 10.823 -5.147 1.00 0.38 C ATOM 0 H PHE A 195 -4.646 14.402 -5.338 1.00 0.24 H new ATOM 0 HA PHE A 195 -2.524 14.761 -3.477 1.00 0.27 H new ATOM 0 HB2 PHE A 195 -3.302 12.575 -3.544 1.00 0.26 H new ATOM 0 HB3 PHE A 195 -3.588 12.609 -5.273 1.00 0.26 H new ATOM 0 HD1 PHE A 195 -0.619 12.996 -3.009 1.00 1.15 H new ATOM 0 HD2 PHE A 195 -2.257 11.171 -6.491 1.00 1.18 H new ATOM 0 HE1 PHE A 195 1.500 11.812 -3.382 1.00 1.18 H new ATOM 0 HE2 PHE A 195 -0.140 9.983 -6.866 1.00 1.18 H new ATOM 0 HZ PHE A 195 1.744 10.301 -5.311 1.00 0.38 H new ATOM 2467 N VAL A 196 -1.772 14.871 -6.680 1.00 0.36 N ATOM 2468 CA VAL A 196 -0.702 15.238 -7.600 1.00 0.49 C ATOM 2469 C VAL A 196 -0.231 16.665 -7.340 1.00 0.50 C ATOM 2470 O VAL A 196 0.948 16.977 -7.501 1.00 0.62 O ATOM 2471 CB VAL A 196 -1.098 15.083 -9.089 1.00 0.59 C ATOM 2472 CG1 VAL A 196 -2.064 13.924 -9.282 1.00 1.02 C ATOM 2473 CG2 VAL A 196 -1.679 16.376 -9.641 1.00 0.84 C ATOM 0 H VAL A 196 -2.668 14.667 -7.123 1.00 0.36 H new ATOM 0 HA VAL A 196 0.112 14.539 -7.408 1.00 0.49 H new ATOM 0 HB VAL A 196 -0.191 14.859 -9.651 1.00 0.59 H new ATOM 0 HG11 VAL A 196 -2.324 13.839 -10.337 1.00 1.02 H new ATOM 0 HG12 VAL A 196 -1.594 12.999 -8.949 1.00 1.02 H new ATOM 0 HG13 VAL A 196 -2.967 14.102 -8.698 1.00 1.02 H new ATOM 0 HG21 VAL A 196 -1.948 16.236 -10.688 1.00 0.84 H new ATOM 0 HG22 VAL A 196 -2.568 16.648 -9.072 1.00 0.84 H new ATOM 0 HG23 VAL A 196 -0.938 17.172 -9.559 1.00 0.84 H new ATOM 2483 N GLU A 197 -1.154 17.524 -6.916 1.00 0.43 N ATOM 2484 CA GLU A 197 -0.820 18.910 -6.610 1.00 0.49 C ATOM 2485 C GLU A 197 0.059 18.968 -5.365 1.00 0.51 C ATOM 2486 O GLU A 197 1.024 19.730 -5.305 1.00 0.56 O ATOM 2487 CB GLU A 197 -2.091 19.733 -6.397 1.00 0.57 C ATOM 2488 CG GLU A 197 -2.509 20.535 -7.618 1.00 1.09 C ATOM 2489 CD GLU A 197 -3.848 21.222 -7.436 1.00 1.48 C ATOM 2490 OE1 GLU A 197 -4.866 20.511 -7.299 1.00 2.04 O ATOM 2491 OE2 GLU A 197 -3.880 22.470 -7.430 1.00 2.06 O ATOM 0 H GLU A 197 -2.136 17.285 -6.777 1.00 0.43 H new ATOM 0 HA GLU A 197 -0.273 19.333 -7.453 1.00 0.49 H new ATOM 0 HB2 GLU A 197 -2.904 19.064 -6.117 1.00 0.57 H new ATOM 0 HB3 GLU A 197 -1.936 20.415 -5.561 1.00 0.57 H new ATOM 0 HG2 GLU A 197 -1.747 21.284 -7.834 1.00 1.09 H new ATOM 0 HG3 GLU A 197 -2.559 19.873 -8.483 1.00 1.09 H new ATOM 2498 N LEU A 198 -0.281 18.144 -4.375 1.00 0.51 N ATOM 2499 CA LEU A 198 0.478 18.082 -3.131 1.00 0.59 C ATOM 2500 C LEU A 198 1.850 17.468 -3.383 1.00 0.64 C ATOM 2501 O LEU A 198 2.862 17.974 -2.897 1.00 0.74 O ATOM 2502 CB LEU A 198 -0.279 17.262 -2.084 1.00 0.63 C ATOM 2503 CG LEU A 198 -1.109 18.083 -1.095 1.00 0.82 C ATOM 2504 CD1 LEU A 198 -2.459 18.438 -1.698 1.00 0.84 C ATOM 2505 CD2 LEU A 198 -1.289 17.320 0.208 1.00 1.31 C ATOM 0 H LEU A 198 -1.079 17.510 -4.412 1.00 0.51 H new ATOM 0 HA LEU A 198 0.608 19.096 -2.753 1.00 0.59 H new ATOM 0 HB2 LEU A 198 -0.940 16.565 -2.599 1.00 0.63 H new ATOM 0 HB3 LEU A 198 0.440 16.664 -1.523 1.00 0.63 H new ATOM 0 HG LEU A 198 -0.575 19.009 -0.881 1.00 0.82 H new ATOM 0 HD11 LEU A 198 -3.036 19.022 -0.981 1.00 0.84 H new ATOM 0 HD12 LEU A 198 -2.310 19.023 -2.605 1.00 0.84 H new ATOM 0 HD13 LEU A 198 -3.001 17.524 -1.941 1.00 0.84 H new ATOM 0 HD21 LEU A 198 -1.882 17.918 0.901 1.00 1.31 H new ATOM 0 HD22 LEU A 198 -1.802 16.379 0.011 1.00 1.31 H new ATOM 0 HD23 LEU A 198 -0.313 17.116 0.648 1.00 1.31 H new ATOM 2517 N TYR A 199 1.885 16.377 -4.155 1.00 0.63 N ATOM 2518 CA TYR A 199 3.149 15.725 -4.464 1.00 0.76 C ATOM 2519 C TYR A 199 3.552 15.981 -5.908 1.00 0.94 C ATOM 2520 O TYR A 199 3.847 15.064 -6.672 1.00 1.76 O ATOM 2521 CB TYR A 199 3.122 14.261 -4.043 1.00 0.88 C ATOM 2522 CG TYR A 199 3.343 14.164 -2.545 1.00 0.79 C ATOM 2523 CD1 TYR A 199 4.629 14.184 -2.015 1.00 1.42 C ATOM 2524 CD2 TYR A 199 2.271 14.133 -1.656 1.00 1.42 C ATOM 2525 CE1 TYR A 199 4.840 14.160 -0.646 1.00 1.43 C ATOM 2526 CE2 TYR A 199 2.478 14.124 -0.288 1.00 1.50 C ATOM 2527 CZ TYR A 199 3.762 14.135 0.209 1.00 0.93 C ATOM 2528 OH TYR A 199 3.969 14.125 1.569 1.00 1.11 O ATOM 0 H TYR A 199 1.063 15.937 -4.569 1.00 0.63 H new ATOM 0 HA TYR A 199 3.949 16.169 -3.871 1.00 0.76 H new ATOM 0 HB2 TYR A 199 2.166 13.812 -4.311 1.00 0.88 H new ATOM 0 HB3 TYR A 199 3.895 13.704 -4.573 1.00 0.88 H new ATOM 0 HD1 TYR A 199 5.478 14.219 -2.682 1.00 1.42 H new ATOM 0 HD2 TYR A 199 1.262 14.116 -2.041 1.00 1.42 H new ATOM 0 HE1 TYR A 199 5.845 14.161 -0.252 1.00 1.43 H new ATOM 0 HE2 TYR A 199 1.635 14.108 0.388 1.00 1.50 H new ATOM 0 HH TYR A 199 3.105 14.108 2.031 1.00 1.11 H new ATOM 2538 N GLY A 200 3.585 17.286 -6.238 1.00 0.72 N ATOM 2539 CA GLY A 200 3.985 17.748 -7.558 1.00 0.78 C ATOM 2540 C GLY A 200 5.483 17.583 -7.745 1.00 1.22 C ATOM 2541 O GLY A 200 6.260 18.284 -7.096 1.00 1.90 O ATOM 0 H GLY A 200 3.335 18.036 -5.594 1.00 0.72 H new ATOM 0 HA2 GLY A 200 3.452 17.185 -8.324 1.00 0.78 H new ATOM 0 HA3 GLY A 200 3.710 18.795 -7.683 1.00 0.78 H new ATOM 2545 N PRO A 201 5.932 16.651 -8.608 1.00 1.45 N ATOM 2546 CA PRO A 201 7.360 16.413 -8.829 1.00 2.09 C ATOM 2547 C PRO A 201 8.157 17.704 -8.970 1.00 2.36 C ATOM 2548 O PRO A 201 7.599 18.755 -9.286 1.00 2.87 O ATOM 2549 CB PRO A 201 7.379 15.629 -10.138 1.00 2.52 C ATOM 2550 CG PRO A 201 6.092 14.878 -10.141 1.00 2.45 C ATOM 2551 CD PRO A 201 5.093 15.749 -9.422 1.00 1.81 C ATOM 0 HA PRO A 201 7.821 15.892 -7.990 1.00 2.09 H new ATOM 0 HB2 PRO A 201 7.452 16.294 -10.998 1.00 2.52 H new ATOM 0 HB3 PRO A 201 8.233 14.953 -10.184 1.00 2.52 H new ATOM 0 HG2 PRO A 201 5.765 14.671 -11.160 1.00 2.45 H new ATOM 0 HG3 PRO A 201 6.202 13.916 -9.640 1.00 2.45 H new ATOM 0 HD2 PRO A 201 4.471 16.306 -10.123 1.00 1.81 H new ATOM 0 HD3 PRO A 201 4.422 15.157 -8.800 1.00 1.81 H new ATOM 2559 N SER A 202 9.465 17.613 -8.735 1.00 2.78 N ATOM 2560 CA SER A 202 10.343 18.773 -8.841 1.00 3.60 C ATOM 2561 C SER A 202 10.065 19.527 -10.136 1.00 3.70 C ATOM 2562 O SER A 202 10.542 19.142 -11.205 1.00 4.30 O ATOM 2563 CB SER A 202 11.809 18.337 -8.791 1.00 4.35 C ATOM 2564 OG SER A 202 12.093 17.385 -9.801 1.00 5.09 O ATOM 0 H SER A 202 9.938 16.749 -8.470 1.00 2.78 H new ATOM 0 HA SER A 202 10.146 19.436 -7.998 1.00 3.60 H new ATOM 0 HB2 SER A 202 12.455 19.207 -8.915 1.00 4.35 H new ATOM 0 HB3 SER A 202 12.032 17.911 -7.813 1.00 4.35 H new ATOM 0 HG SER A 202 11.594 17.611 -10.614 1.00 5.09 H new ATOM 2570 N MET A 203 9.282 20.596 -10.020 1.00 3.57 N ATOM 2571 CA MET A 203 8.909 21.434 -11.158 1.00 4.08 C ATOM 2572 C MET A 203 7.722 20.862 -11.926 1.00 3.98 C ATOM 2573 O MET A 203 6.595 21.334 -11.775 1.00 4.70 O ATOM 2574 CB MET A 203 10.100 21.670 -12.097 1.00 4.52 C ATOM 2575 CG MET A 203 10.349 23.139 -12.398 1.00 5.43 C ATOM 2576 SD MET A 203 11.555 23.384 -13.715 1.00 6.00 S ATOM 2577 CE MET A 203 10.709 24.597 -14.726 1.00 6.19 C ATOM 0 H MET A 203 8.887 20.907 -9.133 1.00 3.57 H new ATOM 0 HA MET A 203 8.603 22.397 -10.750 1.00 4.08 H new ATOM 0 HB2 MET A 203 10.997 21.241 -11.649 1.00 4.52 H new ATOM 0 HB3 MET A 203 9.926 21.139 -13.033 1.00 4.52 H new ATOM 0 HG2 MET A 203 9.408 23.613 -12.679 1.00 5.43 H new ATOM 0 HG3 MET A 203 10.698 23.637 -11.494 1.00 5.43 H new ATOM 0 HE1 MET A 203 11.330 24.852 -15.585 1.00 6.19 H new ATOM 0 HE2 MET A 203 9.762 24.184 -15.073 1.00 6.19 H new ATOM 0 HE3 MET A 203 10.519 25.494 -14.136 1.00 6.19 H new ATOM 2587 N ARG A 204 7.968 19.854 -12.752 1.00 3.48 N ATOM 2588 CA ARG A 204 6.901 19.246 -13.535 1.00 4.02 C ATOM 2589 C ARG A 204 5.750 18.807 -12.636 1.00 4.54 C ATOM 2590 O ARG A 204 5.893 17.769 -11.957 1.00 4.96 O ATOM 2591 CB ARG A 204 7.436 18.048 -14.321 1.00 4.30 C ATOM 2592 CG ARG A 204 6.413 17.428 -15.258 1.00 4.81 C ATOM 2593 CD ARG A 204 7.057 16.956 -16.551 1.00 5.35 C ATOM 2594 NE ARG A 204 7.265 18.055 -17.492 1.00 6.08 N ATOM 2595 CZ ARG A 204 6.277 18.708 -18.101 1.00 6.79 C ATOM 2596 NH1 ARG A 204 5.010 18.380 -17.877 1.00 6.92 N ATOM 2597 NH2 ARG A 204 6.558 19.696 -18.941 1.00 7.63 N ATOM 2598 OXT ARG A 204 4.714 19.506 -12.619 1.00 4.95 O ATOM 0 H ARG A 204 8.890 19.442 -12.897 1.00 3.48 H new ATOM 0 HA ARG A 204 6.527 19.993 -14.235 1.00 4.02 H new ATOM 0 HB2 ARG A 204 8.303 18.363 -14.901 1.00 4.30 H new ATOM 0 HB3 ARG A 204 7.781 17.288 -13.619 1.00 4.30 H new ATOM 0 HG2 ARG A 204 5.928 16.586 -14.763 1.00 4.81 H new ATOM 0 HG3 ARG A 204 5.635 18.157 -15.483 1.00 4.81 H new ATOM 0 HD2 ARG A 204 8.014 16.484 -16.328 1.00 5.35 H new ATOM 0 HD3 ARG A 204 6.427 16.197 -17.014 1.00 5.35 H new ATOM 0 HE ARG A 204 8.224 18.339 -17.694 1.00 6.08 H new ATOM 0 HH11 ARG A 204 4.786 17.621 -17.233 1.00 6.92 H new ATOM 0 HH12 ARG A 204 4.261 18.887 -18.349 1.00 6.92 H new ATOM 0 HH21 ARG A 204 7.529 19.954 -19.119 1.00 7.63 H new ATOM 0 HH22 ARG A 204 5.803 20.198 -19.409 1.00 7.63 H new TER 2612 ARG A 204 HETATM 2613 C1 LIU A1000 3.744 1.025 6.570 1.00 1.00 C HETATM 2614 C2 LIU A1000 2.589 0.061 6.182 1.00 2.00 C HETATM 2615 C3 LIU A1000 1.502 0.879 5.426 1.00 3.00 C HETATM 2616 C4 LIU A1000 1.079 2.198 6.120 1.00 4.00 C HETATM 2617 N5 LIU A1000 2.260 3.061 6.456 1.00 5.00 N HETATM 2618 C6 LIU A1000 3.294 2.331 7.265 1.00 6.00 C HETATM 2619 C7 LIU A1000 3.133 -1.050 5.262 1.00 7.00 C HETATM 2620 C8 LIU A1000 2.003 -0.632 7.430 1.00 8.00 C HETATM 2621 C9 LIU A1000 2.400 4.491 6.056 1.00 9.00 C HETATM 2622 C10 LIU A1000 3.661 5.019 5.753 1.00 10.00 C HETATM 2623 C11 LIU A1000 3.815 6.349 5.384 1.00 11.00 C HETATM 2624 C12 LIU A1000 2.711 7.217 5.303 1.00 12.00 C HETATM 2625 C13 LIU A1000 1.437 6.689 5.606 1.00 13.00 C HETATM 2626 C14 LIU A1000 1.287 5.351 5.976 1.00 14.00 C HETATM 2627 C15 LIU A1000 2.996 8.665 4.887 1.00 15.00 C HETATM 2628 O16 LIU A1000 4.130 9.061 4.644 1.00 16.00 O HETATM 2629 N17 LIU A1000 2.025 9.571 4.759 1.00 17.00 N HETATM 2630 S18 LIU A1000 2.311 11.150 4.188 1.00 18.00 S HETATM 2631 C19 LIU A1000 3.171 11.127 2.647 1.00 19.00 C HETATM 2632 C20 LIU A1000 2.453 11.122 1.456 1.00 20.00 C HETATM 2633 C21 LIU A1000 3.125 11.074 0.222 1.00 21.00 C HETATM 2634 C22 LIU A1000 4.553 11.078 0.214 1.00 22.00 C HETATM 2635 C23 LIU A1000 5.235 11.080 1.440 1.00 23.00 C HETATM 2636 C24 LIU A1000 4.553 11.123 2.642 1.00 24.00 C HETATM 2637 N25 LIU A1000 5.278 11.041 -1.083 1.00 25.00 N HETATM 2638 C26 LIU A1000 6.693 10.996 -1.558 1.00 26.00 C HETATM 2639 C27 LIU A1000 7.131 9.542 -1.877 1.00 27.00 C HETATM 2640 S28 LIU A1000 7.546 8.524 -0.415 1.00 28.00 S HETATM 2641 C29 LIU A1000 6.076 7.979 0.359 1.00 29.00 C HETATM 2642 C30 LIU A1000 6.127 7.655 1.718 1.00 30.00 C HETATM 2643 C31 LIU A1000 4.940 7.380 2.395 1.00 31.00 C HETATM 2644 C32 LIU A1000 3.720 7.400 1.714 1.00 32.00 C HETATM 2645 C33 LIU A1000 3.687 7.690 0.344 1.00 33.00 C HETATM 2646 C34 LIU A1000 4.870 7.957 -0.345 1.00 34.00 C HETATM 2647 N35 LIU A1000 2.242 11.015 -1.015 1.00 35.00 N HETATM 2648 O36 LIU A1000 2.548 10.344 -1.992 1.00 36.00 O HETATM 2649 O37 LIU A1000 1.193 11.635 -1.087 1.00 37.00 O HETATM 2650 O38 LIU A1000 3.106 11.950 5.314 1.00 38.00 O HETATM 2651 O39 LIU A1000 0.833 11.705 4.017 1.00 39.00 O HETATM 2652 C40 LIU A1000 6.704 11.838 -2.834 1.00 40.00 C HETATM 2653 C41 LIU A1000 7.678 11.689 -0.600 1.00 41.00 C HETATM 0 HN25 LIU A1000 4.627 11.048 -1.868 1.00 25.00 H new HETATM 0 HN17 LIU A1000 1.073 9.307 5.013 1.00 17.00 H new HETATM 0 H413 LIU A1000 7.402 12.738 -0.490 1.00 41.00 H new HETATM 0 H412 LIU A1000 7.643 11.201 0.374 1.00 41.00 H new HETATM 0 H411 LIU A1000 8.688 11.620 -1.004 1.00 41.00 H new HETATM 0 H403 LIU A1000 6.020 11.403 -3.563 1.00 40.00 H new HETATM 0 H402 LIU A1000 6.388 12.855 -2.601 1.00 40.00 H new HETATM 0 H401 LIU A1000 7.712 11.857 -3.249 1.00 40.00 H new HETATM 0 H32A LIU A1000 1.873 1.113 4.428 1.00 3.00 H new HETATM 0 H31A LIU A1000 0.619 0.253 5.299 1.00 3.00 H new HETATM 0 H272 LIU A1000 6.330 9.050 -2.429 1.00 27.00 H new HETATM 0 H271 LIU A1000 7.998 9.576 -2.536 1.00 27.00 H new HETATM 0 H11A LIU A1000 4.301 1.283 5.669 1.00 1.00 H new HETATM 0 H83 LIU A1000 2.784 -1.206 7.928 1.00 8.00 H new HETATM 0 H82 LIU A1000 1.614 0.121 8.115 1.00 8.00 H new HETATM 0 H81 LIU A1000 1.197 -1.301 7.130 1.00 8.00 H new HETATM 0 H73 LIU A1000 3.551 -0.603 4.360 1.00 7.00 H new HETATM 0 H72 LIU A1000 3.910 -1.607 5.785 1.00 7.00 H new HETATM 0 H71 LIU A1000 2.323 -1.726 4.990 1.00 7.00 H new HETATM 0 H62 LIU A1000 2.889 2.099 8.250 1.00 6.00 H new HETATM 0 H61 LIU A1000 4.158 2.977 7.420 1.00 6.00 H new HETATM 0 H42 LIU A1000 0.401 2.749 5.468 1.00 4.00 H new HETATM 0 H41 LIU A1000 0.528 1.967 7.032 1.00 4.00 H new HETATM 0 H34 LIU A1000 4.853 8.146 -1.418 1.00 34.00 H new HETATM 0 H33 LIU A1000 2.734 7.707 -0.185 1.00 33.00 H new HETATM 0 H32 LIU A1000 2.794 7.190 2.249 1.00 32.00 H new HETATM 0 H31 LIU A1000 4.964 7.148 3.460 1.00 31.00 H new HETATM 0 H30 LIU A1000 7.082 7.618 2.241 1.00 30.00 H new HETATM 0 H24 LIU A1000 5.103 11.154 3.582 1.00 24.00 H new HETATM 0 H23 LIU A1000 6.324 11.047 1.445 1.00 23.00 H new HETATM 0 H20 LIU A1000 1.364 11.155 1.479 1.00 20.00 H new HETATM 0 H14 LIU A1000 0.294 4.966 6.206 1.00 14.00 H new HETATM 0 H13 LIU A1000 0.560 7.334 5.550 1.00 13.00 H new HETATM 0 H12 LIU A1000 4.432 0.497 7.230 1.00 1.00 H new HETATM 0 H11 LIU A1000 4.811 6.728 5.153 1.00 11.00 H new HETATM 0 H10 LIU A1000 4.538 4.374 5.808 1.00 10.00 H new CONECT 2613 2614 2618 2654 2655 CONECT 2614 2613 2615 2619 2620 CONECT 2615 2614 2616 2656 2657 CONECT 2616 2615 2617 2658 2659 CONECT 2617 2616 2618 2621 CONECT 2618 2613 2617 2660 2661 CONECT 2619 2614 2662 2663 2664 CONECT 2620 2614 2665 2666 2667 CONECT 2621 2617 2622 2626 CONECT 2622 2621 2623 2668 CONECT 2623 2622 2624 2669 CONECT 2624 2623 2625 2627 CONECT 2625 2624 2626 2670 CONECT 2626 2621 2625 2671 CONECT 2627 2624 2628 2629 CONECT 2628 2627 CONECT 2629 2627 2630 2672 CONECT 2630 2629 2631 2650 2651 CONECT 2631 2630 2632 2636 CONECT 2632 2631 2633 2673 CONECT 2633 2632 2634 2647 CONECT 2634 2633 2635 2637 CONECT 2635 2634 2636 2674 CONECT 2636 2631 2635 2675 CONECT 2637 2634 2638 2676 CONECT 2638 2637 2639 2652 2653 CONECT 2639 2638 2640 2677 2678 CONECT 2640 2639 2641 CONECT 2641 2640 2642 2646 CONECT 2642 2641 2643 2679 CONECT 2643 2642 2644 2680 CONECT 2644 2643 2645 2681 CONECT 2645 2644 2646 2682 CONECT 2646 2641 2645 2683 CONECT 2647 2633 2648 2649 CONECT 2648 2647 CONECT 2649 2647 CONECT 2650 2630 CONECT 2651 2630 CONECT 2652 2638 2684 2685 2686 CONECT 2653 2638 2687 2688 2689 CONECT 2654 2613 CONECT 2655 2613 CONECT 2656 2615 CONECT 2657 2615 CONECT 2658 2616 CONECT 2659 2616 CONECT 2660 2618 CONECT 2661 2618 CONECT 2662 2619 CONECT 2663 2619 CONECT 2664 2619 CONECT 2665 2620 CONECT 2666 2620 CONECT 2667 2620 CONECT 2668 2622 CONECT 2669 2623 CONECT 2670 2625 CONECT 2671 2626 CONECT 2672 2629 CONECT 2673 2632 CONECT 2674 2635 CONECT 2675 2636 CONECT 2676 2637 CONECT 2677 2639 CONECT 2678 2639 CONECT 2679 2642 CONECT 2680 2643 CONECT 2681 2644 CONECT 2682 2645 CONECT 2683 2646 CONECT 2684 2652 CONECT 2685 2652 CONECT 2686 2652 CONECT 2687 2653 CONECT 2688 2653 CONECT 2689 2653 END