USER MOD reduce.3.24.130724 H: found=0, std=0, add=1119, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1124 hydrogens (40 hets) HEADER APOPTOSIS 30-NOV-06 2O2M TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN TITLE 2 COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BCL-2-LIKE 1 PROTEIN; COMPND 5 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: BCL2L1, BCL2L, BCLX; 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: PET30B KEYWDS APOPTOSIS, COMPLEX, BCL, NMR EXPDTA SOLUTION NMR AUTHOR M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER, AUTHOR 2 D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG,P.M.NIMMER, AUTHOR 3 T.OLTERSDORF,C.M.PARK,A.M.PETROS,A.R.SHOEMAKER,X.SONG, AUTHOR 4 X.WANG,M.D.WENDT,H.ZHANG,S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE REVDAT 2 24-FEB-09 2O2M 1 VERSN REVDAT 1 27-FEB-07 2O2M 0 JRNL AUTH M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH, JRNL AUTH 2 A.KUNZER,D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG, JRNL AUTH 3 P.M.NIMMER,T.OLTERSDORF,C.M.PARK,A.M.PETROS, JRNL AUTH 4 A.R.SHOEMAKER,X.SONG,X.WANG,M.D.WENDT,H.ZHANG, JRNL AUTH 5 S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE JRNL TITL STUDIES LEADING TO POTENT, DUAL INHIBITORS OF JRNL TITL 2 BCL-2 AND BCL-XL. JRNL REF J.MED.CHEM. V. 50 641 2007 JRNL REFN ISSN 0022-2623 JRNL PMID 17256834 JRNL DOI 10.1021/JM061152T REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER A. T. ETALL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2O2M COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-06. REMARK 100 THE RCSB ID CODE IS RCSB040608. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50 MM SODIUM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 50MM SODIUM PHOSPHATE BUFFER; REMARK 210 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 162 CD GLU A 162 OE2 0.109 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 193 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES 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 GLN A 7 -65.21 71.83 REMARK 500 TYR A 26 -174.74 -53.99 REMARK 500 ALA A 28 -173.36 173.50 REMARK 500 MET A 37 -78.82 63.53 REMARK 500 ALA A 38 -80.82 66.78 REMARK 500 TYR A 105 53.90 -97.52 REMARK 500 LEU A 116 119.30 -175.18 REMARK 500 HIS A 117 76.60 -115.27 REMARK 500 ASP A 137 45.91 -104.07 REMARK 500 MET A 163 66.94 -150.84 REMARK 500 ASN A 179 38.05 -99.60 REMARK 500 ASP A 180 39.23 -177.43 REMARK 500 HIS A 181 -36.28 175.89 REMARK 500 GLU A 188 30.05 -97.48 REMARK 500 ASN A 189 28.85 -145.67 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE LI0 A 1000 DBREF 2O2M A 6 27 UNP Q07817 BCLX_HUMAN 2 23 DBREF 2O2M A 37 200 UNP Q07817 BCLX_HUMAN 83 196 SEQADV 2O2M ALA A 28 UNP Q07817 INSERTION SEQADV 2O2M GLY A 29 UNP Q07817 INSERTION SEQADV 2O2M GLY A 25 UNP Q07817 INSERTION SEQADV 2O2M GLY A 31 UNP Q07817 INSERTION SEQADV 2O2M GLY A 32 UNP Q07817 INSERTION SEQADV 2O2M GLY A 33 UNP Q07817 INSERTION SEQADV 2O2M GLY A 29 UNP Q07817 INSERTION SEQADV 2O2M GLY A 30 UNP Q07817 INSERTION SEQADV 2O2M GLY A 31 UNP Q07817 INSERTION SEQRES 1 A 145 SER GLN SER ASN ARG GLU LEU VAL VAL ASP PHE LEU SER SEQRES 2 A 145 TYR LYS LEU SER GLN LYS GLY TYR SER ALA GLY GLY GLY SEQRES 3 A 145 GLY GLY GLY GLY GLY MET ALA ALA VAL LYS GLN ALA LEU SEQRES 4 A 145 ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR ARG ARG SEQRES 5 A 145 ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE THR PRO SEQRES 6 A 145 GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL ASN GLU SEQRES 7 A 145 LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE VAL ALA SEQRES 8 A 145 PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SER VAL SEQRES 9 A 145 ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE ALA ALA SEQRES 10 A 145 TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU PRO TRP SEQRES 11 A 145 ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL GLU LEU SEQRES 12 A 145 TYR GLY HET LI0 A1000 88 HETNAM LI0 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1- HETNAM 2 LI0 DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL) HETNAM 3 LI0 SULFONYL]BENZAMIDE FORMUL 2 LI0 C36 H40 N4 O6 S2 HELIX 1 1 GLN A 7 LYS A 24 1 18 HELIX 2 2 ALA A 38 TYR A 105 1 18 HELIX 3 3 TYR A 105 SER A 114 1 10 HELIX 4 4 ALA A 123 GLU A 133 1 11 HELIX 5 5 LEU A 134 GLY A 138 5 5 HELIX 6 6 ASN A 140 LYS A 161 1 22 HELIX 7 7 LEU A 166 ASN A 179 1 14 HELIX 8 8 LEU A 182 GLU A 188 1 7 HELIX 9 9 GLY A 190 TYR A 199 1 10 SITE *** AC1 12 PHE A 101 TYR A 105 LEU A 112 GLU A 133 SITE *** AC1 12 LEU A 134 ASN A 140 TRP A 141 GLY A 142 SITE *** AC1 12 ARG A 143 VAL A 145 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 119 THR OG1 : rot -62:sc= 0.797 USER MOD Set 1.2: A 122 THR OG1 : rot -99:sc= 0.416 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Set 3.1: A 6 SER OG : rot 26:sc= 0.703 USER MOD Set 3.2: A 179 ASN : amide:sc= -0.813 K(o=-0.11,f=-0.71) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 9 ASN : amide:sc= -1.19 K(o=-1.2,f=-8.7!) USER MOD Single : A 18 SER OG : rot 143:sc= 0.619 USER MOD Single : A 20 LYS NZ :NH3+ -106:sc= 0.896 (180deg=0.0272) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -125:sc= -3.08 (180deg=-11.6!) USER MOD Single : A 91 LYS NZ :NH3+ 136:sc= 1.27 (180deg=1) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0651 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -37:sc= 0.305 USER MOD Single : A 115 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.8) USER MOD Single : A 117 HIS : no HD1:sc=-0.00802 X(o=-0.008,f=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 132 ASN : amide:sc= -0.0755 K(o=-0.075,f=-0.93) USER MOD Single : A 140 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.2!) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 155 CYS SG : rot -38:sc= -7.23! USER MOD Single : A 158 SER OG : rot 73:sc= 0.288 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 174 MET CE :methyl 180:sc= -0.0112 (180deg=-0.0112) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 177 TYR OH : rot -171:sc= 0.504 USER MOD Single : A 181 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.16) USER MOD Single : A 187 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.536 K(o=-0.54,f=0.67!) USER MOD Single : A 194 THR OG1 : rot 68:sc= 0.735 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 6 -15.548 5.718 -9.893 1.00 0.00 N ATOM 2 CA SER A 6 -16.130 4.658 -10.756 1.00 0.00 C ATOM 3 C SER A 6 -15.450 4.623 -12.121 1.00 0.00 C ATOM 4 O SER A 6 -15.292 5.656 -12.773 1.00 0.00 O ATOM 5 CB SER A 6 -17.627 4.927 -10.917 1.00 0.00 C ATOM 6 OG SER A 6 -18.152 5.593 -9.782 1.00 0.74 O ATOM 0 HA SER A 6 -15.972 3.687 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.797 5.532 -11.808 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.155 3.985 -11.066 1.00 0.00 H new ATOM 0 HG SER A 6 -17.437 6.093 -9.336 1.00 0.74 H new ATOM 14 N GLN A 7 -15.046 3.431 -12.546 1.00 0.00 N ATOM 15 CA GLN A 7 -14.379 3.261 -13.832 1.00 0.00 C ATOM 16 C GLN A 7 -12.964 3.828 -13.790 1.00 0.00 C ATOM 17 O GLN A 7 -11.985 3.092 -13.909 1.00 0.00 O ATOM 18 CB GLN A 7 -15.181 3.943 -14.942 1.00 0.01 C ATOM 19 CG GLN A 7 -15.511 3.021 -16.106 1.00 0.77 C ATOM 20 CD GLN A 7 -15.883 3.779 -17.364 1.00 1.25 C ATOM 21 OE1 GLN A 7 -16.373 4.906 -17.303 1.00 1.64 O ATOM 22 NE2 GLN A 7 -15.650 3.161 -18.517 1.00 1.72 N ATOM 0 H GLN A 7 -15.169 2.567 -12.018 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.318 2.193 -14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.109 4.332 -14.523 1.00 0.01 H new ATOM 0 HB3 GLN A 7 -14.617 4.798 -15.315 1.00 0.01 H new ATOM 0 HG2 GLN A 7 -14.653 2.381 -16.312 1.00 0.77 H new ATOM 0 HG3 GLN A 7 -16.336 2.367 -15.824 1.00 0.77 H new ATOM 0 HE21 GLN A 7 -15.242 2.226 -18.521 1.00 1.72 H new ATOM 0 HE22 GLN A 7 -15.879 3.621 -19.398 1.00 1.72 H new ATOM 31 N SER A 8 -12.864 5.143 -13.619 1.00 0.00 N ATOM 32 CA SER A 8 -11.571 5.812 -13.561 1.00 0.00 C ATOM 33 C SER A 8 -10.624 5.088 -12.608 1.00 0.00 C ATOM 34 O SER A 8 -9.560 4.620 -13.011 1.00 0.00 O ATOM 35 CB SER A 8 -11.747 7.265 -13.118 1.00 0.00 C ATOM 36 OG SER A 8 -12.902 7.840 -13.707 1.00 1.30 O ATOM 0 H SER A 8 -13.665 5.766 -13.518 1.00 0.00 H new ATOM 0 HA SER A 8 -11.135 5.793 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.827 7.311 -12.032 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.866 7.843 -13.397 1.00 0.00 H new ATOM 0 HG SER A 8 -12.994 8.769 -13.407 1.00 1.30 H new ATOM 42 N ASN A 9 -11.021 5.000 -11.342 1.00 0.00 N ATOM 43 CA ASN A 9 -10.208 4.331 -10.333 1.00 0.00 C ATOM 44 C ASN A 9 -9.849 2.916 -10.779 1.00 0.00 C ATOM 45 O ASN A 9 -8.737 2.444 -10.544 1.00 0.00 O ATOM 46 CB ASN A 9 -10.950 4.282 -8.997 1.00 0.01 C ATOM 47 CG ASN A 9 -12.333 3.673 -9.126 1.00 1.37 C ATOM 48 OD1 ASN A 9 -12.817 3.431 -10.231 1.00 2.29 O ATOM 49 ND2 ASN A 9 -12.976 3.422 -7.992 1.00 1.95 N ATOM 0 H ASN A 9 -11.899 5.383 -10.991 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.288 4.901 -10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.366 3.703 -8.281 1.00 0.01 H new ATOM 0 HB3 ASN A 9 -11.037 5.292 -8.595 1.00 0.01 H new ATOM 0 HD21 ASN A 9 -13.910 3.012 -8.015 1.00 1.95 H new ATOM 0 HD22 ASN A 9 -12.536 3.639 -7.098 1.00 1.95 H new ATOM 56 N ARG A 10 -10.800 2.246 -11.423 1.00 0.00 N ATOM 57 CA ARG A 10 -10.585 0.887 -11.902 1.00 0.00 C ATOM 58 C ARG A 10 -9.393 0.826 -12.851 1.00 0.00 C ATOM 59 O ARG A 10 -8.583 -0.099 -12.788 1.00 0.00 O ATOM 60 CB ARG A 10 -11.839 0.367 -12.606 1.00 0.00 C ATOM 61 CG ARG A 10 -11.881 -1.147 -12.731 1.00 1.25 C ATOM 62 CD ARG A 10 -13.308 -1.656 -12.849 1.00 1.38 C ATOM 63 NE ARG A 10 -13.490 -2.503 -14.025 1.00 1.26 N ATOM 64 CZ ARG A 10 -13.085 -3.769 -14.099 1.00 1.62 C ATOM 65 NH1 ARG A 10 -12.474 -4.343 -13.069 1.00 2.33 N ATOM 66 NH2 ARG A 10 -13.292 -4.466 -15.208 1.00 1.90 N ATOM 0 H ARG A 10 -11.726 2.623 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.372 0.255 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.719 0.703 -12.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.896 0.807 -13.601 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.309 -1.457 -13.606 1.00 1.25 H new ATOM 0 HG3 ARG A 10 -11.403 -1.598 -11.862 1.00 1.25 H new ATOM 0 HD2 ARG A 10 -13.568 -2.219 -11.953 1.00 1.38 H new ATOM 0 HD3 ARG A 10 -13.992 -0.809 -12.903 1.00 1.38 H new ATOM 0 HE ARG A 10 -13.955 -2.100 -14.838 1.00 1.26 H new ATOM 0 HH11 ARG A 10 -12.312 -3.813 -12.213 1.00 2.33 H new ATOM 0 HH12 ARG A 10 -12.167 -5.314 -13.134 1.00 2.33 H new ATOM 0 HH21 ARG A 10 -13.761 -4.032 -16.003 1.00 1.90 H new ATOM 0 HH22 ARG A 10 -12.982 -5.436 -15.266 1.00 1.90 H new ATOM 80 N GLU A 11 -9.291 1.816 -13.732 1.00 0.00 N ATOM 81 CA GLU A 11 -8.197 1.873 -14.694 1.00 0.00 C ATOM 82 C GLU A 11 -6.852 1.959 -13.981 1.00 0.00 C ATOM 83 O GLU A 11 -5.885 1.309 -14.377 1.00 0.00 O ATOM 84 CB GLU A 11 -8.369 3.075 -15.623 1.00 0.01 C ATOM 85 CG GLU A 11 -8.367 2.707 -17.097 1.00 0.87 C ATOM 86 CD GLU A 11 -9.473 1.735 -17.457 1.00 0.86 C ATOM 87 OE1 GLU A 11 -10.528 1.762 -16.790 1.00 1.47 O ATOM 88 OE2 GLU A 11 -9.283 0.945 -18.406 1.00 1.56 O ATOM 0 H GLU A 11 -9.953 2.589 -13.799 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.219 0.958 -15.286 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.306 3.578 -15.384 1.00 0.01 H new ATOM 0 HB3 GLU A 11 -7.567 3.788 -15.434 1.00 0.01 H new ATOM 0 HG2 GLU A 11 -8.476 3.613 -17.694 1.00 0.87 H new ATOM 0 HG3 GLU A 11 -7.404 2.268 -17.357 1.00 0.87 H new ATOM 95 N LEU A 12 -6.799 2.765 -12.926 1.00 0.00 N ATOM 96 CA LEU A 12 -5.572 2.936 -12.156 1.00 0.00 C ATOM 97 C LEU A 12 -5.083 1.598 -11.609 1.00 0.00 C ATOM 98 O LEU A 12 -3.898 1.279 -11.692 1.00 0.00 O ATOM 99 CB LEU A 12 -5.801 3.918 -11.005 1.00 0.00 C ATOM 100 CG LEU A 12 -5.484 5.379 -11.329 1.00 0.52 C ATOM 101 CD1 LEU A 12 -6.260 6.310 -10.411 1.00 1.42 C ATOM 102 CD2 LEU A 12 -3.989 5.636 -11.213 1.00 1.36 C ATOM 0 H LEU A 12 -7.591 3.310 -12.585 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.807 3.338 -12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.842 3.849 -10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.190 3.609 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.789 5.579 -12.356 1.00 0.52 H new ATOM 0 HD11 LEU A 12 -6.022 7.345 -10.656 1.00 1.42 H new ATOM 0 HD12 LEU A 12 -7.329 6.143 -10.543 1.00 1.42 H new ATOM 0 HD13 LEU A 12 -5.986 6.111 -9.375 1.00 1.42 H new ATOM 0 HD21 LEU A 12 -3.780 6.680 -11.447 1.00 1.36 H new ATOM 0 HD22 LEU A 12 -3.660 5.419 -10.197 1.00 1.36 H new ATOM 0 HD23 LEU A 12 -3.454 4.994 -11.912 1.00 1.36 H new ATOM 114 N VAL A 13 -6.007 0.819 -11.054 1.00 0.00 N ATOM 115 CA VAL A 13 -5.671 -0.485 -10.496 1.00 0.00 C ATOM 116 C VAL A 13 -4.934 -1.345 -11.516 1.00 0.00 C ATOM 117 O VAL A 13 -3.779 -1.716 -11.312 1.00 0.00 O ATOM 118 CB VAL A 13 -6.932 -1.235 -10.026 1.00 0.00 C ATOM 119 CG1 VAL A 13 -6.557 -2.553 -9.366 1.00 0.17 C ATOM 120 CG2 VAL A 13 -7.744 -0.367 -9.077 1.00 0.17 C ATOM 0 H VAL A 13 -6.993 1.069 -10.979 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.022 -0.305 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.547 -1.456 -10.898 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.461 -3.067 -9.041 1.00 0.17 H new ATOM 0 HG12 VAL A 13 -6.021 -3.178 -10.080 1.00 0.17 H new ATOM 0 HG13 VAL A 13 -5.920 -2.359 -8.503 1.00 0.17 H new ATOM 0 HG21 VAL A 13 -8.631 -0.912 -8.755 1.00 0.17 H new ATOM 0 HG22 VAL A 13 -7.138 -0.113 -8.207 1.00 0.17 H new ATOM 0 HG23 VAL A 13 -8.046 0.547 -9.588 1.00 0.17 H new ATOM 130 N VAL A 14 -5.611 -1.659 -12.616 1.00 0.00 N ATOM 131 CA VAL A 14 -5.018 -2.474 -13.669 1.00 0.00 C ATOM 132 C VAL A 14 -3.635 -1.959 -14.047 1.00 0.00 C ATOM 133 O VAL A 14 -2.699 -2.738 -14.222 1.00 0.00 O ATOM 134 CB VAL A 14 -5.908 -2.501 -14.926 1.00 0.03 C ATOM 135 CG1 VAL A 14 -5.315 -3.426 -15.978 1.00 1.23 C ATOM 136 CG2 VAL A 14 -7.324 -2.924 -14.569 1.00 1.23 C ATOM 0 H VAL A 14 -6.569 -1.362 -12.801 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.930 -3.487 -13.276 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.950 -1.494 -15.342 1.00 0.03 H new ATOM 0 HG11 VAL A 14 -5.956 -3.433 -16.859 1.00 1.23 H new ATOM 0 HG12 VAL A 14 -4.322 -3.073 -16.255 1.00 1.23 H new ATOM 0 HG13 VAL A 14 -5.241 -4.436 -15.575 1.00 1.23 H new ATOM 0 HG21 VAL A 14 -7.938 -2.937 -15.470 1.00 1.23 H new ATOM 0 HG22 VAL A 14 -7.306 -3.921 -14.128 1.00 1.23 H new ATOM 0 HG23 VAL A 14 -7.745 -2.218 -13.853 1.00 1.23 H new ATOM 146 N ASP A 15 -3.513 -0.640 -14.170 1.00 0.00 N ATOM 147 CA ASP A 15 -2.242 -0.021 -14.527 1.00 0.00 C ATOM 148 C ASP A 15 -1.187 -0.303 -13.464 1.00 0.00 C ATOM 149 O ASP A 15 -0.118 -0.837 -13.761 1.00 0.00 O ATOM 150 CB ASP A 15 -2.415 1.489 -14.703 1.00 0.00 C ATOM 151 CG ASP A 15 -1.087 2.214 -14.806 1.00 1.02 C ATOM 152 OD1 ASP A 15 -0.416 2.078 -15.850 1.00 1.77 O ATOM 153 OD2 ASP A 15 -0.720 2.919 -13.842 1.00 1.53 O ATOM 0 H ASP A 15 -4.278 0.019 -14.028 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.908 -0.452 -15.471 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.002 1.683 -15.601 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.980 1.888 -13.860 1.00 0.00 H new ATOM 158 N PHE A 16 -1.494 0.057 -12.222 1.00 0.00 N ATOM 159 CA PHE A 16 -0.572 -0.159 -11.114 1.00 0.00 C ATOM 160 C PHE A 16 -0.202 -1.634 -11.000 1.00 0.00 C ATOM 161 O PHE A 16 0.953 -1.977 -10.748 1.00 0.00 O ATOM 162 CB PHE A 16 -1.191 0.326 -9.802 1.00 0.00 C ATOM 163 CG PHE A 16 -0.213 0.379 -8.663 1.00 0.10 C ATOM 164 CD1 PHE A 16 0.033 -0.745 -7.891 1.00 0.92 C ATOM 165 CD2 PHE A 16 0.460 1.553 -8.364 1.00 0.92 C ATOM 166 CE1 PHE A 16 0.932 -0.699 -6.842 1.00 0.95 C ATOM 167 CE2 PHE A 16 1.361 1.605 -7.317 1.00 0.94 C ATOM 168 CZ PHE A 16 1.597 0.477 -6.555 1.00 0.30 C ATOM 0 H PHE A 16 -2.374 0.500 -11.958 1.00 0.00 H new ATOM 0 HA PHE A 16 0.334 0.414 -11.311 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.614 1.319 -9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.016 -0.334 -9.532 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.484 -1.668 -8.111 1.00 0.92 H new ATOM 0 HD2 PHE A 16 0.278 2.438 -8.956 1.00 0.92 H new ATOM 0 HE1 PHE A 16 1.114 -1.582 -6.247 1.00 0.95 H new ATOM 0 HE2 PHE A 16 1.880 2.526 -7.095 1.00 0.94 H new ATOM 0 HZ PHE A 16 2.300 0.515 -5.736 1.00 0.30 H new ATOM 178 N LEU A 17 -1.192 -2.501 -11.188 1.00 0.00 N ATOM 179 CA LEU A 17 -0.971 -3.939 -11.107 1.00 0.00 C ATOM 180 C LEU A 17 0.010 -4.398 -12.181 1.00 0.00 C ATOM 181 O LEU A 17 1.089 -4.905 -11.875 1.00 0.00 O ATOM 182 CB LEU A 17 -2.296 -4.690 -11.255 1.00 0.00 C ATOM 183 CG LEU A 17 -2.551 -5.767 -10.201 1.00 0.95 C ATOM 184 CD1 LEU A 17 -3.721 -5.377 -9.310 1.00 1.52 C ATOM 185 CD2 LEU A 17 -2.809 -7.111 -10.864 1.00 1.93 C ATOM 0 H LEU A 17 -2.154 -2.232 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.544 -4.162 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.111 -3.968 -11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.325 -5.154 -12.241 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.661 -5.856 -9.578 1.00 0.95 H new ATOM 0 HD11 LEU A 17 -3.887 -6.156 -8.566 1.00 1.52 H new ATOM 0 HD12 LEU A 17 -3.497 -4.436 -8.807 1.00 1.52 H new ATOM 0 HD13 LEU A 17 -4.618 -5.259 -9.918 1.00 1.52 H new ATOM 0 HD21 LEU A 17 -2.989 -7.866 -10.098 1.00 1.93 H new ATOM 0 HD22 LEU A 17 -3.683 -7.036 -11.511 1.00 1.93 H new ATOM 0 HD23 LEU A 17 -1.941 -7.396 -11.458 1.00 1.93 H new ATOM 197 N SER A 18 -0.372 -4.216 -13.441 1.00 0.00 N ATOM 198 CA SER A 18 0.477 -4.608 -14.561 1.00 0.00 C ATOM 199 C SER A 18 1.893 -4.078 -14.377 1.00 0.00 C ATOM 200 O SER A 18 2.868 -4.746 -14.718 1.00 0.00 O ATOM 201 CB SER A 18 -0.108 -4.092 -15.876 1.00 0.00 C ATOM 202 OG SER A 18 -1.307 -4.772 -16.205 0.50 0.99 O ATOM 0 H SER A 18 -1.263 -3.800 -13.712 1.00 0.00 H new ATOM 0 HA SER A 18 0.517 -5.697 -14.593 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.304 -3.023 -15.795 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.619 -4.223 -16.677 1.00 0.00 H new ATOM 0 HG SER A 18 -1.938 -4.143 -16.613 0.50 0.99 H new ATOM 208 N TYR A 19 1.999 -2.869 -13.835 1.00 0.00 N ATOM 209 CA TYR A 19 3.296 -2.244 -13.603 1.00 0.00 C ATOM 210 C TYR A 19 4.101 -3.028 -12.572 1.00 0.00 C ATOM 211 O TYR A 19 5.246 -3.404 -12.821 1.00 0.00 O ATOM 212 CB TYR A 19 3.111 -0.801 -13.132 1.00 0.00 C ATOM 213 CG TYR A 19 4.196 -0.325 -12.193 1.00 1.15 C ATOM 214 CD1 TYR A 19 5.522 -0.269 -12.605 1.00 1.88 C ATOM 215 CD2 TYR A 19 3.894 0.069 -10.896 1.00 2.18 C ATOM 216 CE1 TYR A 19 6.516 0.165 -11.750 1.00 2.80 C ATOM 217 CE2 TYR A 19 4.883 0.505 -10.034 1.00 3.13 C ATOM 218 CZ TYR A 19 6.192 0.552 -10.466 1.00 3.27 C ATOM 219 OH TYR A 19 7.180 0.986 -9.611 1.00 4.32 O ATOM 0 H TYR A 19 1.201 -2.302 -13.548 1.00 0.00 H new ATOM 0 HA TYR A 19 3.846 -2.245 -14.544 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.082 -0.145 -14.002 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.146 -0.712 -12.633 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.779 -0.570 -13.610 1.00 1.88 H new ATOM 0 HD2 TYR A 19 2.870 0.034 -10.555 1.00 2.18 H new ATOM 0 HE1 TYR A 19 7.542 0.201 -12.085 1.00 2.80 H new ATOM 0 HE2 TYR A 19 4.632 0.807 -9.028 1.00 3.13 H new ATOM 0 HH TYR A 19 6.784 1.222 -8.746 1.00 4.32 H new ATOM 229 N LYS A 20 3.495 -3.272 -11.415 1.00 0.00 N ATOM 230 CA LYS A 20 4.157 -4.012 -10.347 1.00 0.00 C ATOM 231 C LYS A 20 4.627 -5.375 -10.843 1.00 0.00 C ATOM 232 O LYS A 20 5.675 -5.870 -10.427 1.00 0.00 O ATOM 233 CB LYS A 20 3.211 -4.186 -9.158 1.00 0.00 C ATOM 234 CG LYS A 20 3.429 -3.164 -8.054 1.00 0.62 C ATOM 235 CD LYS A 20 4.753 -3.390 -7.341 1.00 0.59 C ATOM 236 CE LYS A 20 4.944 -2.408 -6.197 1.00 1.13 C ATOM 237 NZ LYS A 20 5.650 -3.029 -5.044 1.00 1.40 N ATOM 0 H LYS A 20 2.547 -2.968 -11.193 1.00 0.00 H new ATOM 0 HA LYS A 20 5.029 -3.441 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.182 -4.115 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.339 -5.187 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.409 -2.160 -8.477 1.00 0.62 H new ATOM 0 HG3 LYS A 20 2.612 -3.223 -7.335 1.00 0.62 H new ATOM 0 HD2 LYS A 20 4.791 -4.409 -6.957 1.00 0.59 H new ATOM 0 HD3 LYS A 20 5.573 -3.286 -8.052 1.00 0.59 H new ATOM 0 HE2 LYS A 20 5.512 -1.547 -6.549 1.00 1.13 H new ATOM 0 HE3 LYS A 20 3.972 -2.037 -5.871 1.00 1.13 H new ATOM 0 HZ1 LYS A 20 4.972 -3.204 -4.275 1.00 1.40 H new ATOM 0 HZ2 LYS A 20 6.076 -3.930 -5.342 1.00 1.40 H new ATOM 0 HZ3 LYS A 20 6.396 -2.388 -4.708 1.00 1.40 H new ATOM 251 N LEU A 21 3.848 -5.975 -11.736 1.00 0.00 N ATOM 252 CA LEU A 21 4.185 -7.281 -12.291 1.00 0.00 C ATOM 253 C LEU A 21 5.361 -7.171 -13.255 1.00 0.00 C ATOM 254 O LEU A 21 6.302 -7.963 -13.196 1.00 0.00 O ATOM 255 CB LEU A 21 2.976 -7.881 -13.009 1.00 0.01 C ATOM 256 CG LEU A 21 1.854 -8.371 -12.091 0.50 0.53 C ATOM 257 CD1 LEU A 21 0.495 -8.111 -12.721 0.50 1.16 C ATOM 258 CD2 LEU A 21 2.028 -9.850 -11.781 0.50 0.79 C ATOM 0 H LEU A 21 2.978 -5.578 -12.091 1.00 0.00 H new ATOM 0 HA LEU A 21 4.471 -7.937 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.568 -7.133 -13.688 1.00 0.01 H new ATOM 0 HB3 LEU A 21 3.314 -8.717 -13.622 1.00 0.01 H new ATOM 0 HG LEU A 21 1.907 -7.815 -11.155 0.50 0.53 H new ATOM 0 HD11 LEU A 21 -0.290 -8.466 -12.053 0.50 1.16 H new ATOM 0 HD12 LEU A 21 0.371 -7.041 -12.890 0.50 1.16 H new ATOM 0 HD13 LEU A 21 0.428 -8.639 -13.672 0.50 1.16 H new ATOM 0 HD21 LEU A 21 1.222 -10.182 -11.127 0.50 0.79 H new ATOM 0 HD22 LEU A 21 2.002 -10.422 -12.709 0.50 0.79 H new ATOM 0 HD23 LEU A 21 2.986 -10.008 -11.285 0.50 0.79 H new ATOM 270 N SER A 22 5.300 -6.183 -14.143 1.00 0.00 N ATOM 271 CA SER A 22 6.361 -5.968 -15.119 1.00 0.00 C ATOM 272 C SER A 22 7.706 -5.772 -14.426 1.00 0.00 C ATOM 273 O SER A 22 8.753 -6.127 -14.968 1.00 0.00 O ATOM 274 CB SER A 22 6.041 -4.754 -15.994 1.00 0.00 C ATOM 275 OG SER A 22 6.619 -4.887 -17.282 1.00 1.18 O ATOM 0 H SER A 22 4.528 -5.520 -14.206 1.00 0.00 H new ATOM 0 HA SER A 22 6.424 -6.854 -15.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.961 -4.643 -16.086 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.415 -3.849 -15.516 1.00 0.00 H new ATOM 0 HG SER A 22 6.399 -4.100 -17.822 1.00 1.18 H new ATOM 281 N GLN A 23 7.669 -5.212 -13.221 1.00 0.00 N ATOM 282 CA GLN A 23 8.886 -4.975 -12.453 1.00 0.00 C ATOM 283 C GLN A 23 9.578 -6.291 -12.112 1.00 0.00 C ATOM 284 O GLN A 23 10.801 -6.344 -11.978 1.00 0.00 O ATOM 285 CB GLN A 23 8.563 -4.207 -11.168 1.00 0.00 C ATOM 286 CG GLN A 23 9.185 -2.821 -11.116 1.00 0.90 C ATOM 287 CD GLN A 23 9.954 -2.574 -9.831 1.00 1.03 C ATOM 288 OE1 GLN A 23 10.812 -3.369 -9.446 1.00 1.61 O ATOM 289 NE2 GLN A 23 9.648 -1.469 -9.162 1.00 1.84 N ATOM 0 H GLN A 23 6.811 -4.914 -12.756 1.00 0.00 H new ATOM 0 HA GLN A 23 9.561 -4.377 -13.065 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.481 -4.115 -11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.911 -4.785 -10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.856 -2.696 -11.966 1.00 0.90 H new ATOM 0 HG3 GLN A 23 8.401 -2.071 -11.215 1.00 0.90 H new ATOM 0 HE21 GLN A 23 8.930 -0.839 -9.519 1.00 1.84 H new ATOM 0 HE22 GLN A 23 10.131 -1.250 -8.291 1.00 1.84 H new ATOM 298 N LYS A 24 8.789 -7.353 -11.973 1.00 0.00 N ATOM 299 CA LYS A 24 9.329 -8.669 -11.649 1.00 0.00 C ATOM 300 C LYS A 24 9.546 -9.520 -12.903 1.00 0.00 C ATOM 301 O LYS A 24 9.756 -10.729 -12.807 1.00 0.00 O ATOM 302 CB LYS A 24 8.392 -9.399 -10.686 1.00 0.00 C ATOM 303 CG LYS A 24 8.520 -8.938 -9.243 1.00 0.42 C ATOM 304 CD LYS A 24 9.890 -9.268 -8.671 1.00 1.16 C ATOM 305 CE LYS A 24 9.877 -9.257 -7.151 1.00 1.68 C ATOM 306 NZ LYS A 24 9.635 -10.613 -6.586 1.00 2.75 N ATOM 0 H LYS A 24 7.775 -7.328 -12.080 1.00 0.00 H new ATOM 0 HA LYS A 24 10.299 -8.518 -11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.363 -9.254 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.595 -10.469 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.351 -7.863 -9.187 1.00 0.42 H new ATOM 0 HG3 LYS A 24 7.748 -9.414 -8.638 1.00 0.42 H new ATOM 0 HD2 LYS A 24 10.207 -10.249 -9.026 1.00 1.16 H new ATOM 0 HD3 LYS A 24 10.621 -8.546 -9.035 1.00 1.16 H new ATOM 0 HE2 LYS A 24 10.829 -8.875 -6.783 1.00 1.68 H new ATOM 0 HE3 LYS A 24 9.103 -8.574 -6.800 1.00 1.68 H new ATOM 0 HZ1 LYS A 24 9.634 -10.561 -5.547 1.00 2.75 H new ATOM 0 HZ2 LYS A 24 8.715 -10.967 -6.916 1.00 2.75 H new ATOM 0 HZ3 LYS A 24 10.387 -11.259 -6.899 1.00 2.75 H new ATOM 320 N GLY A 25 9.500 -8.892 -14.079 1.00 0.00 N ATOM 321 CA GLY A 25 9.702 -9.629 -15.314 1.00 0.00 C ATOM 322 C GLY A 25 8.399 -10.051 -15.966 1.00 0.00 C ATOM 323 O GLY A 25 8.242 -9.932 -17.182 1.00 0.00 O ATOM 0 H GLY A 25 9.328 -7.893 -14.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.269 -9.012 -16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.304 -10.514 -15.109 1.00 0.00 H new ATOM 327 N TYR A 26 7.464 -10.548 -15.161 1.00 0.00 N ATOM 328 CA TYR A 26 6.170 -10.992 -15.671 1.00 0.00 C ATOM 329 C TYR A 26 5.489 -9.890 -16.481 1.00 0.00 C ATOM 330 O TYR A 26 6.068 -8.832 -16.720 1.00 0.00 O ATOM 331 CB TYR A 26 5.263 -11.425 -14.517 1.00 0.01 C ATOM 332 CG TYR A 26 4.808 -12.864 -14.612 1.00 0.79 C ATOM 333 CD1 TYR A 26 5.615 -13.899 -14.154 1.00 1.54 C ATOM 334 CD2 TYR A 26 3.573 -13.188 -15.159 1.00 1.30 C ATOM 335 CE1 TYR A 26 5.202 -15.216 -14.239 1.00 2.18 C ATOM 336 CE2 TYR A 26 3.154 -14.502 -15.246 1.00 1.91 C ATOM 337 CZ TYR A 26 3.972 -15.512 -14.785 1.00 2.22 C ATOM 338 OH TYR A 26 3.559 -16.822 -14.871 1.00 2.94 O ATOM 0 H TYR A 26 7.578 -10.653 -14.153 1.00 0.00 H new ATOM 0 HA TYR A 26 6.345 -11.844 -16.329 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.793 -11.282 -13.576 1.00 0.01 H new ATOM 0 HB3 TYR A 26 4.387 -10.777 -14.491 1.00 0.01 H new ATOM 0 HD1 TYR A 26 6.580 -13.671 -13.725 1.00 1.54 H new ATOM 0 HD2 TYR A 26 2.930 -12.400 -15.522 1.00 1.30 H new ATOM 0 HE1 TYR A 26 5.841 -16.009 -13.879 1.00 2.18 H new ATOM 0 HE2 TYR A 26 2.190 -14.737 -15.673 1.00 1.91 H new ATOM 0 HH TYR A 26 2.669 -16.858 -15.279 1.00 2.94 H new ATOM 348 N SER A 27 4.256 -10.149 -16.902 1.00 0.00 N ATOM 349 CA SER A 27 3.500 -9.179 -17.686 1.00 0.00 C ATOM 350 C SER A 27 2.000 -9.350 -17.467 1.00 0.00 C ATOM 351 O SER A 27 1.569 -10.217 -16.706 1.00 0.00 O ATOM 352 CB SER A 27 3.833 -9.326 -19.171 1.00 0.00 C ATOM 353 OG SER A 27 4.455 -8.157 -19.675 0.50 1.27 O ATOM 0 H SER A 27 3.760 -11.020 -16.714 1.00 0.00 H new ATOM 0 HA SER A 27 3.783 -8.180 -17.354 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.491 -10.183 -19.316 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.921 -9.527 -19.733 1.00 0.00 H new ATOM 0 HG SER A 27 4.659 -8.279 -20.626 0.50 1.27 H new ATOM 359 N ALA A 28 1.210 -8.520 -18.139 1.00 0.00 N ATOM 360 CA ALA A 28 -0.241 -8.581 -18.019 1.00 0.00 C ATOM 361 C ALA A 28 -0.904 -7.427 -18.762 1.00 0.00 C ATOM 362 O ALA A 28 -0.240 -6.663 -19.462 1.00 0.00 O ATOM 363 CB ALA A 28 -0.648 -8.572 -16.553 1.00 0.00 C ATOM 0 H ALA A 28 1.551 -7.797 -18.773 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.580 -9.512 -18.474 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.734 -8.618 -16.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.212 -9.435 -16.049 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.290 -7.657 -16.081 1.00 0.00 H new ATOM 369 N GLY A 29 -2.219 -7.307 -18.605 1.00 0.00 N ATOM 370 CA GLY A 29 -2.952 -6.242 -19.267 1.00 0.00 C ATOM 371 C GLY A 29 -2.510 -4.864 -18.814 1.00 0.00 C ATOM 372 O GLY A 29 -3.096 -4.287 -17.899 1.00 0.00 O ATOM 0 H GLY A 29 -2.790 -7.928 -18.032 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.816 -6.327 -20.345 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.017 -6.361 -19.070 1.00 0.00 H new ATOM 376 N GLY A 30 -1.474 -4.337 -19.457 1.00 0.00 N ATOM 377 CA GLY A 30 -0.971 -3.023 -19.102 1.00 0.00 C ATOM 378 C GLY A 30 -1.924 -1.909 -19.491 1.00 0.00 C ATOM 379 O GLY A 30 -2.704 -2.052 -20.433 1.00 0.00 O ATOM 0 H GLY A 30 -0.973 -4.796 -20.218 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.792 -2.985 -18.027 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.010 -2.862 -19.591 1.00 0.00 H new ATOM 383 N GLY A 31 -1.861 -0.799 -18.765 1.00 0.00 N ATOM 384 CA GLY A 31 -2.729 0.328 -19.054 1.00 0.00 C ATOM 385 C GLY A 31 -2.055 1.661 -18.795 1.00 0.00 C ATOM 386 O GLY A 31 -2.555 2.478 -18.022 1.00 0.00 O ATOM 0 H GLY A 31 -1.224 -0.659 -17.981 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.045 0.281 -20.096 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.629 0.255 -18.444 1.00 0.00 H new ATOM 390 N GLY A 32 -0.915 1.882 -19.443 1.00 0.00 N ATOM 391 CA GLY A 32 -0.190 3.126 -19.266 1.00 0.00 C ATOM 392 C GLY A 32 -0.722 4.239 -20.148 1.00 0.00 C ATOM 393 O GLY A 32 -0.650 5.414 -19.787 1.00 0.00 O ATOM 0 H GLY A 32 -0.481 1.221 -20.087 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.252 3.433 -18.222 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.865 2.963 -19.489 1.00 0.00 H new ATOM 397 N GLY A 33 -1.256 3.867 -21.307 1.00 0.00 N ATOM 398 CA GLY A 33 -1.794 4.855 -22.224 1.00 0.00 C ATOM 399 C GLY A 33 -3.084 4.398 -22.876 1.00 0.00 C ATOM 400 O GLY A 33 -3.396 4.796 -23.998 1.00 0.00 O ATOM 0 H GLY A 33 -1.326 2.901 -21.627 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.972 5.786 -21.686 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.056 5.069 -22.997 1.00 0.00 H new ATOM 404 N GLY A 34 -3.836 3.559 -22.170 1.00 0.00 N ATOM 405 CA GLY A 34 -5.091 3.061 -22.702 1.00 0.00 C ATOM 406 C GLY A 34 -6.232 4.040 -22.503 1.00 0.00 C ATOM 407 O GLY A 34 -6.801 4.545 -23.470 1.00 0.00 O ATOM 0 H GLY A 34 -3.599 3.215 -21.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.975 2.854 -23.766 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.338 2.116 -22.218 1.00 0.00 H new ATOM 411 N GLY A 35 -6.564 4.308 -21.244 1.00 0.00 N ATOM 412 CA GLY A 35 -7.642 5.232 -20.943 1.00 0.00 C ATOM 413 C GLY A 35 -7.159 6.663 -20.812 1.00 0.00 C ATOM 414 O GLY A 35 -6.510 7.191 -21.714 1.00 0.00 O ATOM 0 H GLY A 35 -6.106 3.902 -20.428 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.394 5.176 -21.730 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.128 4.929 -20.015 1.00 0.00 H new ATOM 418 N GLY A 36 -7.479 7.291 -19.685 1.00 0.00 N ATOM 419 CA GLY A 36 -7.068 8.665 -19.458 1.00 0.00 C ATOM 420 C GLY A 36 -6.115 8.797 -18.285 1.00 0.00 C ATOM 421 O GLY A 36 -5.183 8.005 -18.146 1.00 0.00 O ATOM 0 H GLY A 36 -8.016 6.873 -18.925 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.589 9.051 -20.357 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.950 9.280 -19.277 1.00 0.00 H new ATOM 425 N MET A 37 -6.353 9.800 -17.443 1.00 0.00 N ATOM 426 CA MET A 37 -5.515 10.040 -16.271 1.00 0.00 C ATOM 427 C MET A 37 -4.085 10.393 -16.677 1.00 0.00 C ATOM 428 O MET A 37 -3.700 11.562 -16.670 1.00 0.00 O ATOM 429 CB MET A 37 -5.517 8.816 -15.351 1.00 0.01 C ATOM 430 CG MET A 37 -6.872 8.529 -14.726 1.00 0.37 C ATOM 431 SD MET A 37 -7.079 9.323 -13.121 1.00 1.25 S ATOM 432 CE MET A 37 -8.833 9.677 -13.143 1.00 1.48 C ATOM 0 H MET A 37 -7.122 10.461 -17.551 1.00 0.00 H new ATOM 0 HA MET A 37 -5.933 10.889 -15.730 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.196 7.943 -15.920 1.00 0.01 H new ATOM 0 HB3 MET A 37 -4.785 8.966 -14.558 1.00 0.01 H new ATOM 0 HG2 MET A 37 -7.658 8.870 -15.400 1.00 0.37 H new ATOM 0 HG3 MET A 37 -6.995 7.452 -14.613 1.00 0.37 H new ATOM 0 HE1 MET A 37 -8.992 10.740 -12.962 1.00 1.48 H new ATOM 0 HE2 MET A 37 -9.246 9.408 -14.115 1.00 1.48 H new ATOM 0 HE3 MET A 37 -9.331 9.098 -12.365 1.00 1.48 H new ATOM 442 N ALA A 38 -3.303 9.378 -17.030 1.00 0.00 N ATOM 443 CA ALA A 38 -1.918 9.585 -17.439 1.00 0.00 C ATOM 444 C ALA A 38 -1.068 10.082 -16.272 1.00 0.00 C ATOM 445 O ALA A 38 -0.358 9.303 -15.636 1.00 0.00 O ATOM 446 CB ALA A 38 -1.852 10.563 -18.603 1.00 0.00 C ATOM 0 H ALA A 38 -3.605 8.404 -17.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.513 8.627 -17.763 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.813 10.708 -18.898 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.416 10.164 -19.446 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.280 11.519 -18.300 1.00 0.00 H new ATOM 452 N ALA A 89 -1.143 11.380 -15.997 1.00 0.00 N ATOM 453 CA ALA A 89 -0.378 11.975 -14.908 1.00 0.00 C ATOM 454 C ALA A 89 -0.585 11.205 -13.608 1.00 0.00 C ATOM 455 O ALA A 89 0.373 10.891 -12.902 1.00 0.00 O ATOM 456 CB ALA A 89 -0.766 13.435 -14.727 1.00 0.00 C ATOM 0 H ALA A 89 -1.725 12.039 -16.513 1.00 0.00 H new ATOM 0 HA ALA A 89 0.679 11.921 -15.167 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.187 13.867 -13.911 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.561 13.983 -15.647 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.829 13.503 -14.494 1.00 0.00 H new ATOM 462 N VAL A 90 -1.842 10.904 -13.298 1.00 0.00 N ATOM 463 CA VAL A 90 -2.173 10.170 -12.084 1.00 0.00 C ATOM 464 C VAL A 90 -1.473 8.816 -12.050 1.00 0.00 C ATOM 465 O VAL A 90 -0.820 8.468 -11.066 1.00 0.00 O ATOM 466 CB VAL A 90 -3.693 9.953 -11.957 1.00 0.01 C ATOM 467 CG1 VAL A 90 -4.029 9.293 -10.628 1.00 0.05 C ATOM 468 CG2 VAL A 90 -4.435 11.272 -12.109 1.00 0.04 C ATOM 0 H VAL A 90 -2.647 11.157 -13.871 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.827 10.774 -11.245 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.015 9.288 -12.758 1.00 0.01 H new ATOM 0 HG11 VAL A 90 -5.107 9.148 -10.556 1.00 0.05 H new ATOM 0 HG12 VAL A 90 -3.528 8.327 -10.564 1.00 0.05 H new ATOM 0 HG13 VAL A 90 -3.694 9.931 -9.810 1.00 0.05 H new ATOM 0 HG21 VAL A 90 -5.507 11.099 -12.016 1.00 0.04 H new ATOM 0 HG22 VAL A 90 -4.111 11.964 -11.332 1.00 0.04 H new ATOM 0 HG23 VAL A 90 -4.220 11.700 -13.088 1.00 0.04 H new ATOM 478 N LYS A 91 -1.614 8.055 -13.131 1.00 0.00 N ATOM 479 CA LYS A 91 -0.993 6.738 -13.224 1.00 0.00 C ATOM 480 C LYS A 91 0.494 6.811 -12.893 1.00 0.00 C ATOM 481 O LYS A 91 1.017 5.975 -12.156 1.00 0.00 O ATOM 482 CB LYS A 91 -1.187 6.158 -14.626 1.00 0.01 C ATOM 483 CG LYS A 91 -2.581 5.602 -14.866 1.00 0.27 C ATOM 484 CD LYS A 91 -2.678 4.903 -16.212 1.00 0.30 C ATOM 485 CE LYS A 91 -4.006 5.193 -16.895 1.00 0.69 C ATOM 486 NZ LYS A 91 -4.043 4.660 -18.285 1.00 0.77 N ATOM 0 H LYS A 91 -2.152 8.327 -13.954 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.476 6.085 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.983 6.935 -15.363 1.00 0.01 H new ATOM 0 HB3 LYS A 91 -0.456 5.366 -14.787 1.00 0.01 H new ATOM 0 HG2 LYS A 91 -2.836 4.901 -14.071 1.00 0.27 H new ATOM 0 HG3 LYS A 91 -3.309 6.412 -14.822 1.00 0.27 H new ATOM 0 HD2 LYS A 91 -1.859 5.229 -16.853 1.00 0.30 H new ATOM 0 HD3 LYS A 91 -2.566 3.828 -16.074 1.00 0.30 H new ATOM 0 HE2 LYS A 91 -4.817 4.752 -16.315 1.00 0.69 H new ATOM 0 HE3 LYS A 91 -4.177 6.269 -16.914 1.00 0.69 H new ATOM 0 HZ1 LYS A 91 -4.956 4.192 -18.453 1.00 0.77 H new ATOM 0 HZ2 LYS A 91 -3.925 5.442 -18.960 1.00 0.77 H new ATOM 0 HZ3 LYS A 91 -3.273 3.973 -18.414 1.00 0.77 H new ATOM 500 N GLN A 92 1.169 7.816 -13.442 1.00 0.00 N ATOM 501 CA GLN A 92 2.596 7.998 -13.203 1.00 0.00 C ATOM 502 C GLN A 92 2.860 8.395 -11.754 1.00 0.00 C ATOM 503 O GLN A 92 3.697 7.797 -11.078 1.00 0.00 O ATOM 504 CB GLN A 92 3.162 9.059 -14.147 1.00 0.00 C ATOM 505 CG GLN A 92 4.034 8.488 -15.253 1.00 1.02 C ATOM 506 CD GLN A 92 4.913 9.539 -15.904 1.00 1.59 C ATOM 507 OE1 GLN A 92 5.905 9.981 -15.326 1.00 2.11 O ATOM 508 NE2 GLN A 92 4.550 9.944 -17.115 1.00 2.28 N ATOM 0 H GLN A 92 0.751 8.516 -14.055 1.00 0.00 H new ATOM 0 HA GLN A 92 3.094 7.048 -13.396 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.336 9.611 -14.596 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.746 9.774 -13.568 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.662 7.697 -14.843 1.00 1.02 H new ATOM 0 HG3 GLN A 92 3.399 8.030 -16.011 1.00 1.02 H new ATOM 0 HE21 GLN A 92 3.719 9.550 -17.557 1.00 2.28 H new ATOM 0 HE22 GLN A 92 5.102 10.649 -17.604 1.00 2.28 H new ATOM 517 N ALA A 93 2.138 9.406 -11.282 1.00 0.00 N ATOM 518 CA ALA A 93 2.293 9.882 -9.913 1.00 0.00 C ATOM 519 C ALA A 93 2.153 8.737 -8.918 1.00 0.00 C ATOM 520 O ALA A 93 2.925 8.630 -7.965 1.00 0.00 O ATOM 521 CB ALA A 93 1.272 10.970 -9.613 1.00 0.00 C ATOM 0 H ALA A 93 1.440 9.911 -11.828 1.00 0.00 H new ATOM 0 HA ALA A 93 3.294 10.301 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.400 11.316 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.418 11.805 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.266 10.569 -9.738 1.00 0.00 H new ATOM 527 N LEU A 94 1.162 7.882 -9.147 1.00 0.00 N ATOM 528 CA LEU A 94 0.917 6.742 -8.273 1.00 0.00 C ATOM 529 C LEU A 94 2.000 5.682 -8.445 1.00 0.00 C ATOM 530 O LEU A 94 2.365 4.992 -7.493 1.00 0.00 O ATOM 531 CB LEU A 94 -0.457 6.137 -8.571 1.00 0.00 C ATOM 532 CG LEU A 94 -1.117 5.414 -7.396 1.00 0.29 C ATOM 533 CD1 LEU A 94 -1.294 6.360 -6.219 1.00 1.64 C ATOM 534 CD2 LEU A 94 -2.456 4.829 -7.820 1.00 1.32 C ATOM 0 H LEU A 94 0.515 7.958 -9.932 1.00 0.00 H new ATOM 0 HA LEU A 94 0.939 7.092 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.122 6.933 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.356 5.435 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.467 4.597 -7.082 1.00 0.29 H new ATOM 0 HD11 LEU A 94 -1.765 5.828 -5.392 1.00 1.64 H new ATOM 0 HD12 LEU A 94 -0.320 6.733 -5.902 1.00 1.64 H new ATOM 0 HD13 LEU A 94 -1.924 7.198 -6.517 1.00 1.64 H new ATOM 0 HD21 LEU A 94 -2.914 4.317 -6.973 1.00 1.32 H new ATOM 0 HD22 LEU A 94 -3.113 5.631 -8.158 1.00 1.32 H new ATOM 0 HD23 LEU A 94 -2.302 4.119 -8.633 1.00 1.32 H new ATOM 546 N ARG A 95 2.510 5.559 -9.666 1.00 0.00 N ATOM 547 CA ARG A 95 3.552 4.583 -9.966 1.00 0.00 C ATOM 548 C ARG A 95 4.811 4.861 -9.151 1.00 0.00 C ATOM 549 O ARG A 95 5.285 4.000 -8.410 1.00 0.00 O ATOM 550 CB ARG A 95 3.884 4.603 -11.459 1.00 0.00 C ATOM 551 CG ARG A 95 5.121 3.797 -11.818 1.00 0.49 C ATOM 552 CD ARG A 95 5.431 3.885 -13.303 1.00 0.57 C ATOM 553 NE ARG A 95 6.714 4.536 -13.557 1.00 1.04 N ATOM 554 CZ ARG A 95 7.386 4.434 -14.702 1.00 1.44 C ATOM 555 NH1 ARG A 95 6.906 3.705 -15.702 1.00 1.86 N ATOM 556 NH2 ARG A 95 8.544 5.063 -14.847 1.00 2.21 N ATOM 0 H ARG A 95 2.219 6.123 -10.464 1.00 0.00 H new ATOM 0 HA ARG A 95 3.177 3.596 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.032 4.214 -12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.029 5.636 -11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.973 4.162 -11.245 1.00 0.49 H new ATOM 0 HG3 ARG A 95 4.971 2.754 -11.538 1.00 0.49 H new ATOM 0 HD2 ARG A 95 5.442 2.883 -13.731 1.00 0.57 H new ATOM 0 HD3 ARG A 95 4.638 4.438 -13.807 1.00 0.57 H new ATOM 0 HE ARG A 95 7.119 5.103 -12.812 1.00 1.04 H new ATOM 0 HH11 ARG A 95 6.016 3.218 -15.597 1.00 1.86 H new ATOM 0 HH12 ARG A 95 7.427 3.632 -16.576 1.00 1.86 H new ATOM 0 HH21 ARG A 95 8.919 5.624 -14.082 1.00 2.21 H new ATOM 0 HH22 ARG A 95 9.060 4.986 -15.723 1.00 2.21 H new ATOM 570 N GLU A 96 5.350 6.066 -9.298 1.00 0.00 N ATOM 571 CA GLU A 96 6.557 6.458 -8.578 1.00 0.00 C ATOM 572 C GLU A 96 6.336 6.407 -7.070 1.00 0.00 C ATOM 573 O GLU A 96 7.173 5.894 -6.328 1.00 0.00 O ATOM 574 CB GLU A 96 6.989 7.864 -8.995 1.00 0.00 C ATOM 575 CG GLU A 96 8.463 7.969 -9.356 1.00 0.87 C ATOM 576 CD GLU A 96 8.773 9.196 -10.189 1.00 1.06 C ATOM 577 OE1 GLU A 96 8.237 9.304 -11.311 1.00 1.75 O ATOM 578 OE2 GLU A 96 9.553 10.051 -9.717 1.00 1.48 O ATOM 0 H GLU A 96 4.970 6.789 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 96 7.346 5.751 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.391 8.180 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.773 8.557 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.056 7.996 -8.442 1.00 0.87 H new ATOM 0 HG3 GLU A 96 8.763 7.076 -9.905 1.00 0.87 H new ATOM 585 N ALA A 97 5.205 6.943 -6.624 1.00 0.00 N ATOM 586 CA ALA A 97 4.876 6.960 -5.203 1.00 0.00 C ATOM 587 C ALA A 97 5.027 5.573 -4.587 1.00 0.00 C ATOM 588 O ALA A 97 5.746 5.394 -3.604 1.00 0.00 O ATOM 589 CB ALA A 97 3.462 7.480 -4.995 1.00 0.00 C ATOM 0 H ALA A 97 4.501 7.371 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 97 5.575 7.629 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.230 7.487 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.385 8.493 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.756 6.833 -5.516 1.00 0.00 H new ATOM 595 N GLY A 98 4.345 4.594 -5.171 1.00 0.00 N ATOM 596 CA GLY A 98 4.417 3.235 -4.666 1.00 0.00 C ATOM 597 C GLY A 98 5.835 2.699 -4.640 1.00 0.00 C ATOM 598 O GLY A 98 6.168 1.846 -3.816 1.00 0.00 O ATOM 0 H GLY A 98 3.743 4.717 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.001 3.203 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.798 2.587 -5.287 1.00 0.00 H new ATOM 602 N ASP A 99 6.672 3.197 -5.544 1.00 0.00 N ATOM 603 CA ASP A 99 8.062 2.762 -5.622 1.00 0.00 C ATOM 604 C ASP A 99 8.879 3.343 -4.474 1.00 0.00 C ATOM 605 O ASP A 99 9.643 2.634 -3.819 1.00 0.00 O ATOM 606 CB ASP A 99 8.675 3.180 -6.959 1.00 0.00 C ATOM 607 CG ASP A 99 10.165 2.908 -7.020 1.00 1.03 C ATOM 608 OD1 ASP A 99 10.621 1.950 -6.361 1.00 1.61 O ATOM 609 OD2 ASP A 99 10.877 3.654 -7.725 1.00 1.81 O ATOM 0 H ASP A 99 6.412 3.902 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 99 8.080 1.675 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.177 2.645 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.495 4.243 -7.122 1.00 0.00 H new ATOM 614 N GLU A 100 8.713 4.640 -4.236 1.00 0.00 N ATOM 615 CA GLU A 100 9.435 5.321 -3.169 1.00 0.00 C ATOM 616 C GLU A 100 8.882 4.934 -1.803 1.00 0.00 C ATOM 617 O GLU A 100 9.632 4.763 -0.843 1.00 0.00 O ATOM 618 CB GLU A 100 9.341 6.837 -3.352 1.00 0.00 C ATOM 619 CG GLU A 100 10.413 7.410 -4.263 1.00 0.55 C ATOM 620 CD GLU A 100 10.769 8.842 -3.914 1.00 1.15 C ATOM 621 OE1 GLU A 100 10.502 9.256 -2.766 1.00 1.64 O ATOM 622 OE2 GLU A 100 11.315 9.548 -4.786 1.00 1.93 O ATOM 0 H GLU A 100 8.084 5.241 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 100 10.480 5.015 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.361 7.085 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.412 7.317 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.308 6.791 -4.199 1.00 0.55 H new ATOM 0 HG3 GLU A 100 10.068 7.366 -5.296 1.00 0.55 H new ATOM 629 N PHE A 101 7.564 4.804 -1.724 1.00 0.00 N ATOM 630 CA PHE A 101 6.905 4.445 -0.475 1.00 0.00 C ATOM 631 C PHE A 101 7.485 3.154 0.095 1.00 0.00 C ATOM 632 O PHE A 101 7.964 3.122 1.228 1.00 0.00 O ATOM 633 CB PHE A 101 5.400 4.285 -0.703 1.00 0.02 C ATOM 634 CG PHE A 101 4.546 4.460 0.528 1.00 0.05 C ATOM 635 CD1 PHE A 101 5.093 4.832 1.753 1.00 0.92 C ATOM 636 CD2 PHE A 101 3.178 4.251 0.453 1.00 0.87 C ATOM 637 CE1 PHE A 101 4.291 4.990 2.865 1.00 0.93 C ATOM 638 CE2 PHE A 101 2.374 4.407 1.564 1.00 0.86 C ATOM 639 CZ PHE A 101 2.930 4.776 2.771 1.00 0.12 C ATOM 0 H PHE A 101 6.930 4.942 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 101 7.077 5.246 0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.082 5.009 -1.453 1.00 0.02 H new ATOM 0 HB3 PHE A 101 5.214 3.294 -1.118 1.00 0.02 H new ATOM 0 HD1 PHE A 101 6.157 4.999 1.834 1.00 0.92 H new ATOM 0 HD2 PHE A 101 2.735 3.962 -0.488 1.00 0.87 H new ATOM 0 HE1 PHE A 101 4.728 5.281 3.809 1.00 0.93 H new ATOM 0 HE2 PHE A 101 1.310 4.240 1.488 1.00 0.86 H new ATOM 0 HZ PHE A 101 2.302 4.897 3.641 1.00 0.12 H new ATOM 649 N GLU A 102 7.437 2.088 -0.701 1.00 0.00 N ATOM 650 CA GLU A 102 7.956 0.793 -0.278 1.00 0.00 C ATOM 651 C GLU A 102 9.438 0.884 0.071 1.00 0.00 C ATOM 652 O GLU A 102 9.910 0.219 0.992 1.00 0.00 O ATOM 653 CB GLU A 102 7.742 -0.250 -1.378 1.00 0.01 C ATOM 654 CG GLU A 102 9.003 -1.011 -1.751 1.00 1.32 C ATOM 655 CD GLU A 102 8.759 -2.054 -2.824 1.00 1.56 C ATOM 656 OE1 GLU A 102 7.845 -1.852 -3.651 1.00 2.26 O ATOM 657 OE2 GLU A 102 9.481 -3.073 -2.839 1.00 1.76 O ATOM 0 H GLU A 102 7.044 2.097 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 102 7.411 0.488 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.983 -0.960 -1.050 1.00 0.01 H new ATOM 0 HB3 GLU A 102 7.352 0.246 -2.266 1.00 0.01 H new ATOM 0 HG2 GLU A 102 9.758 -0.307 -2.099 1.00 1.32 H new ATOM 0 HG3 GLU A 102 9.406 -1.497 -0.862 1.00 1.32 H new ATOM 664 N LEU A 103 10.166 1.712 -0.670 1.00 0.00 N ATOM 665 CA LEU A 103 11.594 1.888 -0.435 1.00 0.00 C ATOM 666 C LEU A 103 11.851 2.396 0.979 1.00 0.00 C ATOM 667 O LEU A 103 12.790 1.959 1.645 1.00 0.00 O ATOM 668 CB LEU A 103 12.186 2.863 -1.456 1.00 0.00 C ATOM 669 CG LEU A 103 13.704 2.787 -1.618 1.00 0.69 C ATOM 670 CD1 LEU A 103 14.108 1.460 -2.241 1.00 1.41 C ATOM 671 CD2 LEU A 103 14.209 3.949 -2.459 1.00 1.85 C ATOM 0 H LEU A 103 9.792 2.271 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 103 12.078 0.918 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.723 2.676 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.917 3.878 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 103 14.160 2.855 -0.630 1.00 0.69 H new ATOM 0 HD11 LEU A 103 15.192 1.424 -2.349 1.00 1.41 H new ATOM 0 HD12 LEU A 103 13.779 0.642 -1.600 1.00 1.41 H new ATOM 0 HD13 LEU A 103 13.642 1.362 -3.222 1.00 1.41 H new ATOM 0 HD21 LEU A 103 15.292 3.879 -2.564 1.00 1.85 H new ATOM 0 HD22 LEU A 103 13.746 3.913 -3.445 1.00 1.85 H new ATOM 0 HD23 LEU A 103 13.952 4.890 -1.972 1.00 1.85 H new ATOM 683 N ARG A 104 11.012 3.321 1.431 1.00 0.00 N ATOM 684 CA ARG A 104 11.146 3.890 2.767 1.00 0.00 C ATOM 685 C ARG A 104 10.681 2.900 3.829 1.00 0.00 C ATOM 686 O ARG A 104 11.416 2.588 4.766 1.00 0.00 O ATOM 687 CB ARG A 104 10.343 5.187 2.874 1.00 0.00 C ATOM 688 CG ARG A 104 10.990 6.231 3.770 1.00 1.25 C ATOM 689 CD ARG A 104 10.617 7.641 3.342 1.00 1.31 C ATOM 690 NE ARG A 104 11.155 8.650 4.252 1.00 1.48 N ATOM 691 CZ ARG A 104 10.912 9.954 4.143 1.00 1.68 C ATOM 692 NH1 ARG A 104 10.136 10.417 3.170 1.00 2.12 N ATOM 693 NH2 ARG A 104 11.446 10.801 5.014 1.00 2.04 N ATOM 0 H ARG A 104 10.231 3.693 0.891 1.00 0.00 H new ATOM 0 HA ARG A 104 12.200 4.109 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 104 10.212 5.607 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 104 9.348 4.958 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 104 10.679 6.069 4.802 1.00 1.25 H new ATOM 0 HG3 ARG A 104 12.073 6.116 3.741 1.00 1.25 H new ATOM 0 HD2 ARG A 104 10.991 7.825 2.335 1.00 1.31 H new ATOM 0 HD3 ARG A 104 9.532 7.732 3.301 1.00 1.31 H new ATOM 0 HE ARG A 104 11.753 8.336 5.017 1.00 1.48 H new ATOM 0 HH11 ARG A 104 9.721 9.772 2.498 1.00 2.12 H new ATOM 0 HH12 ARG A 104 9.955 11.418 3.094 1.00 2.12 H new ATOM 0 HH21 ARG A 104 12.041 10.452 5.765 1.00 2.04 H new ATOM 0 HH22 ARG A 104 11.261 11.801 4.932 1.00 2.04 H new ATOM 707 N TYR A 105 9.455 2.410 3.679 1.00 0.00 N ATOM 708 CA TYR A 105 8.892 1.457 4.628 1.00 0.00 C ATOM 709 C TYR A 105 9.043 0.027 4.122 1.00 0.00 C ATOM 710 O TYR A 105 8.069 -0.720 4.037 1.00 0.00 O ATOM 711 CB TYR A 105 7.418 1.769 4.881 1.00 0.01 C ATOM 712 CG TYR A 105 7.202 2.988 5.749 1.00 0.04 C ATOM 713 CD1 TYR A 105 7.129 4.257 5.188 1.00 0.15 C ATOM 714 CD2 TYR A 105 7.075 2.871 7.128 1.00 0.12 C ATOM 715 CE1 TYR A 105 6.935 5.375 5.976 1.00 0.17 C ATOM 716 CE2 TYR A 105 6.881 3.985 7.922 1.00 0.13 C ATOM 717 CZ TYR A 105 6.811 5.234 7.343 1.00 0.11 C ATOM 718 OH TYR A 105 6.617 6.346 8.131 1.00 0.15 O ATOM 0 H TYR A 105 8.833 2.657 2.910 1.00 0.00 H new ATOM 0 HA TYR A 105 9.442 1.549 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 105 6.917 1.920 3.925 1.00 0.01 H new ATOM 0 HB3 TYR A 105 6.948 0.907 5.355 1.00 0.01 H new ATOM 0 HD1 TYR A 105 7.225 4.371 4.118 1.00 0.15 H new ATOM 0 HD2 TYR A 105 7.129 1.894 7.586 1.00 0.12 H new ATOM 0 HE1 TYR A 105 6.881 6.355 5.524 1.00 0.17 H new ATOM 0 HE2 TYR A 105 6.785 3.878 8.992 1.00 0.13 H new ATOM 0 HH TYR A 105 6.549 6.074 9.070 1.00 0.15 H new ATOM 728 N ARG A 106 10.274 -0.348 3.789 1.00 0.00 N ATOM 729 CA ARG A 106 10.560 -1.689 3.295 1.00 0.00 C ATOM 730 C ARG A 106 10.257 -2.739 4.361 1.00 0.00 C ATOM 731 O ARG A 106 9.917 -3.879 4.043 1.00 0.00 O ATOM 732 CB ARG A 106 12.025 -1.790 2.862 1.00 0.02 C ATOM 733 CG ARG A 106 12.518 -3.218 2.695 1.00 1.08 C ATOM 734 CD ARG A 106 13.974 -3.256 2.264 1.00 1.58 C ATOM 735 NE ARG A 106 14.116 -3.253 0.810 1.00 2.75 N ATOM 736 CZ ARG A 106 13.876 -4.310 0.038 1.00 3.59 C ATOM 737 NH1 ARG A 106 13.480 -5.460 0.571 1.00 3.69 N ATOM 738 NH2 ARG A 106 14.034 -4.217 -1.276 1.00 4.69 N ATOM 0 H ARG A 106 11.091 0.260 3.853 1.00 0.00 H new ATOM 0 HA ARG A 106 9.919 -1.879 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.153 -1.259 1.919 1.00 0.02 H new ATOM 0 HB3 ARG A 106 12.648 -1.284 3.600 1.00 0.02 H new ATOM 0 HG2 ARG A 106 12.401 -3.757 3.635 1.00 1.08 H new ATOM 0 HG3 ARG A 106 11.905 -3.732 1.955 1.00 1.08 H new ATOM 0 HD2 ARG A 106 14.498 -2.396 2.681 1.00 1.58 H new ATOM 0 HD3 ARG A 106 14.450 -4.148 2.673 1.00 1.58 H new ATOM 0 HE ARG A 106 14.417 -2.389 0.360 1.00 2.75 H new ATOM 0 HH11 ARG A 106 13.357 -5.539 1.581 1.00 3.69 H new ATOM 0 HH12 ARG A 106 13.299 -6.265 -0.029 1.00 3.69 H new ATOM 0 HH21 ARG A 106 14.339 -3.337 -1.692 1.00 4.69 H new ATOM 0 HH22 ARG A 106 13.851 -5.026 -1.870 1.00 4.69 H new ATOM 752 N ARG A 107 10.386 -2.348 5.626 1.00 0.00 N ATOM 753 CA ARG A 107 10.131 -3.257 6.738 1.00 0.00 C ATOM 754 C ARG A 107 8.638 -3.373 7.027 1.00 0.00 C ATOM 755 O ARG A 107 8.069 -4.464 6.971 1.00 0.00 O ATOM 756 CB ARG A 107 10.868 -2.778 7.989 1.00 0.00 C ATOM 757 CG ARG A 107 11.521 -3.899 8.780 1.00 0.87 C ATOM 758 CD ARG A 107 11.432 -3.649 10.277 1.00 1.36 C ATOM 759 NE ARG A 107 11.454 -4.894 11.040 1.00 1.65 N ATOM 760 CZ ARG A 107 12.555 -5.604 11.275 1.00 1.47 C ATOM 761 NH1 ARG A 107 13.733 -5.193 10.819 1.00 1.29 N ATOM 762 NH2 ARG A 107 12.480 -6.730 11.971 1.00 2.10 N ATOM 0 H ARG A 107 10.666 -1.408 5.906 1.00 0.00 H new ATOM 0 HA ARG A 107 10.500 -4.243 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 107 11.633 -2.059 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 107 10.165 -2.251 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 107 11.038 -4.846 8.539 1.00 0.87 H new ATOM 0 HG3 ARG A 107 12.567 -3.991 8.487 1.00 0.87 H new ATOM 0 HD2 ARG A 107 12.263 -3.017 10.589 1.00 1.36 H new ATOM 0 HD3 ARG A 107 10.515 -3.103 10.500 1.00 1.36 H new ATOM 0 HE ARG A 107 10.571 -5.241 11.416 1.00 1.65 H new ATOM 0 HH11 ARG A 107 13.799 -4.327 10.284 1.00 1.29 H new ATOM 0 HH12 ARG A 107 14.572 -5.743 11.004 1.00 1.29 H new ATOM 0 HH21 ARG A 107 11.579 -7.051 12.326 1.00 2.10 H new ATOM 0 HH22 ARG A 107 13.323 -7.275 12.152 1.00 2.10 H new ATOM 776 N ALA A 108 8.009 -2.243 7.342 1.00 0.00 N ATOM 777 CA ALA A 108 6.582 -2.217 7.645 1.00 0.00 C ATOM 778 C ALA A 108 5.784 -3.005 6.613 1.00 0.00 C ATOM 779 O ALA A 108 5.179 -4.029 6.931 1.00 0.00 O ATOM 780 CB ALA A 108 6.080 -0.783 7.710 1.00 0.00 C ATOM 0 H ALA A 108 8.467 -1.333 7.394 1.00 0.00 H new ATOM 0 HA ALA A 108 6.438 -2.688 8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.014 -0.781 7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.618 -0.244 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.248 -0.295 6.750 1.00 0.00 H new ATOM 786 N PHE A 109 5.786 -2.517 5.378 1.00 0.00 N ATOM 787 CA PHE A 109 5.061 -3.167 4.294 1.00 0.00 C ATOM 788 C PHE A 109 5.340 -4.666 4.269 1.00 0.00 C ATOM 789 O PHE A 109 4.420 -5.474 4.141 1.00 0.00 O ATOM 790 CB PHE A 109 5.445 -2.548 2.952 1.00 0.02 C ATOM 791 CG PHE A 109 5.005 -1.118 2.781 1.00 0.15 C ATOM 792 CD1 PHE A 109 4.388 -0.420 3.815 1.00 0.18 C ATOM 793 CD2 PHE A 109 5.215 -0.469 1.575 1.00 0.25 C ATOM 794 CE1 PHE A 109 3.995 0.893 3.640 1.00 0.30 C ATOM 795 CE2 PHE A 109 4.821 0.842 1.398 1.00 0.37 C ATOM 796 CZ PHE A 109 4.211 1.523 2.431 1.00 0.40 C ATOM 0 H PHE A 109 6.284 -1.670 5.102 1.00 0.00 H new ATOM 0 HA PHE A 109 3.995 -3.017 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.528 -2.599 2.838 1.00 0.02 H new ATOM 0 HB3 PHE A 109 5.012 -3.147 2.151 1.00 0.02 H new ATOM 0 HD1 PHE A 109 4.215 -0.909 4.762 1.00 0.18 H new ATOM 0 HD2 PHE A 109 5.693 -0.996 0.763 1.00 0.25 H new ATOM 0 HE1 PHE A 109 3.519 1.426 4.449 1.00 0.30 H new ATOM 0 HE2 PHE A 109 4.990 1.334 0.452 1.00 0.37 H new ATOM 0 HZ PHE A 109 3.903 2.549 2.294 1.00 0.40 H new ATOM 806 N SER A 110 6.613 -5.030 4.393 1.00 0.00 N ATOM 807 CA SER A 110 7.009 -6.434 4.385 1.00 0.00 C ATOM 808 C SER A 110 6.125 -7.248 5.323 1.00 0.00 C ATOM 809 O SER A 110 5.856 -8.423 5.075 1.00 0.00 O ATOM 810 CB SER A 110 8.477 -6.578 4.791 1.00 0.00 C ATOM 811 OG SER A 110 9.244 -7.137 3.738 0.50 0.99 O ATOM 0 H SER A 110 7.386 -4.374 4.500 1.00 0.00 H new ATOM 0 HA SER A 110 6.885 -6.816 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.881 -5.602 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.553 -7.210 5.676 1.00 0.00 H new ATOM 0 HG SER A 110 10.179 -7.217 4.021 0.50 0.99 H new ATOM 817 N ASP A 111 5.667 -6.611 6.396 1.00 0.00 N ATOM 818 CA ASP A 111 4.804 -7.272 7.365 1.00 0.00 C ATOM 819 C ASP A 111 3.370 -7.324 6.853 1.00 0.00 C ATOM 820 O ASP A 111 2.654 -8.301 7.075 1.00 0.00 O ATOM 821 CB ASP A 111 4.851 -6.543 8.708 1.00 0.00 C ATOM 822 CG ASP A 111 5.443 -7.399 9.810 1.00 1.04 C ATOM 823 OD1 ASP A 111 5.104 -8.599 9.876 1.00 1.40 O ATOM 824 OD2 ASP A 111 6.245 -6.869 10.608 1.00 2.02 O ATOM 0 H ASP A 111 5.880 -5.638 6.615 1.00 0.00 H new ATOM 0 HA ASP A 111 5.165 -8.291 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 111 5.440 -5.632 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.842 -6.240 8.989 1.00 0.00 H new ATOM 829 N LEU A 112 2.958 -6.265 6.161 1.00 0.00 N ATOM 830 CA LEU A 112 1.611 -6.188 5.610 1.00 0.00 C ATOM 831 C LEU A 112 1.340 -7.368 4.683 1.00 0.00 C ATOM 832 O LEU A 112 0.410 -8.143 4.904 1.00 0.00 O ATOM 833 CB LEU A 112 1.424 -4.871 4.853 1.00 0.01 C ATOM 834 CG LEU A 112 -0.015 -4.353 4.795 0.50 0.02 C ATOM 835 CD1 LEU A 112 -0.095 -3.109 3.923 0.50 0.04 C ATOM 836 CD2 LEU A 112 -0.951 -5.433 4.273 0.50 0.05 C ATOM 0 H LEU A 112 3.539 -5.449 5.969 1.00 0.00 H new ATOM 0 HA LEU A 112 0.900 -6.227 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.049 -4.110 5.320 1.00 0.01 H new ATOM 0 HB3 LEU A 112 1.788 -5.001 3.834 1.00 0.01 H new ATOM 0 HG LEU A 112 -0.328 -4.088 5.805 0.50 0.02 H new ATOM 0 HD11 LEU A 112 -1.125 -2.752 3.891 0.50 0.04 H new ATOM 0 HD12 LEU A 112 0.546 -2.331 4.339 0.50 0.04 H new ATOM 0 HD13 LEU A 112 0.236 -3.351 2.913 0.50 0.04 H new ATOM 0 HD21 LEU A 112 -1.970 -5.046 4.239 0.50 0.05 H new ATOM 0 HD22 LEU A 112 -0.642 -5.729 3.271 0.50 0.05 H new ATOM 0 HD23 LEU A 112 -0.913 -6.298 4.935 0.50 0.05 H new ATOM 848 N THR A 113 2.162 -7.502 3.645 1.00 0.00 N ATOM 849 CA THR A 113 2.012 -8.592 2.690 1.00 0.00 C ATOM 850 C THR A 113 1.969 -9.938 3.403 1.00 0.00 C ATOM 851 O THR A 113 1.322 -10.877 2.940 1.00 0.00 O ATOM 852 CB THR A 113 3.160 -8.605 1.663 1.00 0.00 C ATOM 853 OG1 THR A 113 3.289 -7.314 1.055 1.00 0.22 O ATOM 854 CG2 THR A 113 2.914 -9.653 0.587 1.00 0.23 C ATOM 0 H THR A 113 2.937 -6.869 3.446 1.00 0.00 H new ATOM 0 HA THR A 113 1.071 -8.427 2.166 1.00 0.00 H new ATOM 0 HB THR A 113 4.082 -8.854 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.022 -7.330 0.405 1.00 0.22 H new ATOM 0 HG21 THR A 113 3.738 -9.643 -0.126 1.00 0.23 H new ATOM 0 HG22 THR A 113 2.845 -10.638 1.048 1.00 0.23 H new ATOM 0 HG23 THR A 113 1.982 -9.429 0.068 1.00 0.23 H new ATOM 862 N SER A 114 2.659 -10.023 4.535 1.00 0.00 N ATOM 863 CA SER A 114 2.698 -11.253 5.318 1.00 0.00 C ATOM 864 C SER A 114 1.422 -11.439 6.144 1.00 0.00 C ATOM 865 O SER A 114 1.218 -12.495 6.743 1.00 0.00 O ATOM 866 CB SER A 114 3.918 -11.252 6.241 1.00 0.00 C ATOM 867 OG SER A 114 4.089 -12.513 6.863 0.50 1.24 O ATOM 0 H SER A 114 3.199 -9.254 4.931 1.00 0.00 H new ATOM 0 HA SER A 114 2.770 -12.086 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.811 -11.002 5.668 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.801 -10.481 7.002 1.00 0.00 H new ATOM 0 HG SER A 114 3.212 -12.889 7.086 0.50 1.24 H new ATOM 873 N GLN A 115 0.562 -10.418 6.179 1.00 0.00 N ATOM 874 CA GLN A 115 -0.681 -10.498 6.938 1.00 0.00 C ATOM 875 C GLN A 115 -1.855 -10.863 6.034 1.00 0.00 C ATOM 876 O GLN A 115 -2.998 -10.500 6.311 1.00 0.00 O ATOM 877 CB GLN A 115 -0.960 -9.166 7.637 1.00 0.00 C ATOM 878 CG GLN A 115 -0.402 -9.090 9.048 1.00 0.87 C ATOM 879 CD GLN A 115 -0.909 -7.879 9.807 1.00 0.92 C ATOM 880 OE1 GLN A 115 -2.001 -7.378 9.539 1.00 1.67 O ATOM 881 NE2 GLN A 115 -0.116 -7.401 10.759 1.00 1.41 N ATOM 0 H GLN A 115 0.705 -9.533 5.693 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.567 -11.282 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.534 -8.357 7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.037 -9.002 7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.672 -9.995 9.592 1.00 0.87 H new ATOM 0 HG3 GLN A 115 0.687 -9.058 9.004 1.00 0.87 H new ATOM 0 HE21 GLN A 115 0.781 -7.848 10.947 1.00 1.41 H new ATOM 0 HE22 GLN A 115 -0.404 -6.587 11.302 1.00 1.41 H new ATOM 890 N LEU A 116 -1.571 -11.583 4.953 1.00 0.00 N ATOM 891 CA LEU A 116 -2.610 -11.994 4.016 1.00 0.00 C ATOM 892 C LEU A 116 -2.038 -12.904 2.935 1.00 0.00 C ATOM 893 O LEU A 116 -1.156 -12.504 2.174 1.00 0.00 O ATOM 894 CB LEU A 116 -3.262 -10.765 3.373 1.00 0.01 C ATOM 895 CG LEU A 116 -4.698 -10.965 2.874 1.00 0.66 C ATOM 896 CD1 LEU A 116 -4.942 -12.414 2.477 1.00 0.94 C ATOM 897 CD2 LEU A 116 -5.696 -10.529 3.936 1.00 1.58 C ATOM 0 H LEU A 116 -0.632 -11.893 4.705 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.366 -12.550 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.258 -9.952 4.099 1.00 0.01 H new ATOM 0 HB3 LEU A 116 -2.645 -10.446 2.533 1.00 0.01 H new ATOM 0 HG LEU A 116 -4.837 -10.344 1.989 1.00 0.66 H new ATOM 0 HD11 LEU A 116 -5.968 -12.528 2.127 1.00 0.94 H new ATOM 0 HD12 LEU A 116 -4.254 -12.694 1.680 1.00 0.94 H new ATOM 0 HD13 LEU A 116 -4.779 -13.060 3.340 1.00 0.94 H new ATOM 0 HD21 LEU A 116 -6.710 -10.678 3.565 1.00 1.58 H new ATOM 0 HD22 LEU A 116 -5.549 -11.122 4.839 1.00 1.58 H new ATOM 0 HD23 LEU A 116 -5.545 -9.474 4.166 1.00 1.58 H new ATOM 909 N HIS A 117 -2.552 -14.126 2.869 1.00 0.00 N ATOM 910 CA HIS A 117 -2.104 -15.092 1.876 1.00 0.00 C ATOM 911 C HIS A 117 -3.236 -15.432 0.913 1.00 0.00 C ATOM 912 O HIS A 117 -3.854 -16.492 1.016 1.00 0.00 O ATOM 913 CB HIS A 117 -1.594 -16.361 2.560 1.00 0.00 C ATOM 914 CG HIS A 117 -0.221 -16.215 3.139 1.00 1.02 C ATOM 915 ND1 HIS A 117 0.063 -16.436 4.470 1.00 1.77 N ATOM 916 CD2 HIS A 117 0.951 -15.864 2.559 1.00 2.03 C ATOM 917 CE1 HIS A 117 1.350 -16.228 4.683 1.00 2.43 C ATOM 918 NE2 HIS A 117 1.912 -15.881 3.540 1.00 2.59 N ATOM 0 H HIS A 117 -3.281 -14.471 3.493 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.286 -14.648 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -2.287 -16.640 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -1.591 -17.178 1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.102 -15.617 1.519 1.00 2.03 H new ATOM 0 HE1 HIS A 117 1.857 -16.325 5.632 1.00 2.43 H new ATOM 0 HE2 HIS A 117 2.899 -15.661 3.407 1.00 2.59 H new ATOM 927 N ILE A 118 -3.505 -14.518 -0.016 1.00 0.00 N ATOM 928 CA ILE A 118 -4.567 -14.707 -0.999 1.00 0.00 C ATOM 929 C ILE A 118 -4.524 -16.106 -1.604 1.00 0.00 C ATOM 930 O ILE A 118 -3.478 -16.562 -2.067 1.00 0.00 O ATOM 931 CB ILE A 118 -4.472 -13.667 -2.132 1.00 0.00 C ATOM 932 CG1 ILE A 118 -5.745 -13.684 -2.980 1.00 1.05 C ATOM 933 CG2 ILE A 118 -3.249 -13.938 -2.995 1.00 1.05 C ATOM 934 CD1 ILE A 118 -6.864 -12.841 -2.410 1.00 1.68 C ATOM 0 H ILE A 118 -3.000 -13.637 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.511 -14.576 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.369 -12.676 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.508 -13.328 -3.983 1.00 1.05 H new ATOM 0 HG13 ILE A 118 -6.091 -14.713 -3.080 1.00 1.05 H new ATOM 0 HG21 ILE A 118 -3.194 -13.196 -3.792 1.00 1.05 H new ATOM 0 HG22 ILE A 118 -2.350 -13.879 -2.381 1.00 1.05 H new ATOM 0 HG23 ILE A 118 -3.325 -14.934 -3.432 1.00 1.05 H new ATOM 0 HD11 ILE A 118 -7.734 -12.901 -3.064 1.00 1.68 H new ATOM 0 HD12 ILE A 118 -7.129 -13.210 -1.419 1.00 1.68 H new ATOM 0 HD13 ILE A 118 -6.537 -11.804 -2.336 1.00 1.68 H new ATOM 946 N THR A 119 -5.668 -16.780 -1.596 1.00 0.00 N ATOM 947 CA THR A 119 -5.768 -18.127 -2.141 1.00 0.00 C ATOM 948 C THR A 119 -7.116 -18.339 -2.822 1.00 0.00 C ATOM 949 O THR A 119 -8.055 -17.571 -2.615 1.00 0.00 O ATOM 950 CB THR A 119 -5.586 -19.194 -1.045 1.00 0.00 C ATOM 951 OG1 THR A 119 -5.542 -18.571 0.244 1.00 0.09 O ATOM 952 CG2 THR A 119 -4.310 -19.991 -1.272 1.00 0.10 C ATOM 0 H THR A 119 -6.541 -16.414 -1.217 1.00 0.00 H new ATOM 0 HA THR A 119 -4.968 -18.234 -2.874 1.00 0.00 H new ATOM 0 HB THR A 119 -6.435 -19.876 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 119 -4.767 -17.973 0.292 1.00 0.09 H new ATOM 0 HG21 THR A 119 -4.203 -20.738 -0.486 1.00 0.10 H new ATOM 0 HG22 THR A 119 -4.359 -20.488 -2.241 1.00 0.10 H new ATOM 0 HG23 THR A 119 -3.453 -19.318 -1.252 1.00 0.10 H new ATOM 960 N PRO A 120 -7.224 -19.389 -3.647 1.00 0.00 N ATOM 961 CA PRO A 120 -8.463 -19.709 -4.366 1.00 0.00 C ATOM 962 C PRO A 120 -9.666 -19.798 -3.433 1.00 0.00 C ATOM 963 O PRO A 120 -10.800 -19.548 -3.841 1.00 0.00 O ATOM 964 CB PRO A 120 -8.169 -21.073 -4.994 1.00 0.01 C ATOM 965 CG PRO A 120 -6.685 -21.122 -5.116 1.00 0.41 C ATOM 966 CD PRO A 120 -6.147 -20.348 -3.945 1.00 0.01 C ATOM 0 HA PRO A 120 -8.723 -18.940 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -8.542 -21.885 -4.370 1.00 0.01 H new ATOM 0 HB3 PRO A 120 -8.650 -21.173 -5.967 1.00 0.01 H new ATOM 0 HG2 PRO A 120 -6.326 -22.151 -5.101 1.00 0.41 H new ATOM 0 HG3 PRO A 120 -6.356 -20.683 -6.058 1.00 0.41 H new ATOM 0 HD2 PRO A 120 -5.941 -20.998 -3.094 1.00 0.01 H new ATOM 0 HD3 PRO A 120 -5.214 -19.841 -4.193 1.00 0.01 H new ATOM 974 N GLY A 121 -9.411 -20.154 -2.179 1.00 0.00 N ATOM 975 CA GLY A 121 -10.483 -20.268 -1.207 1.00 0.00 C ATOM 976 C GLY A 121 -10.489 -19.123 -0.214 1.00 0.00 C ATOM 977 O GLY A 121 -10.756 -19.321 0.971 1.00 0.00 O ATOM 0 H GLY A 121 -8.481 -20.366 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.440 -20.298 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.383 -21.211 -0.669 1.00 0.00 H new ATOM 981 N THR A 122 -10.193 -17.921 -0.699 1.00 0.00 N ATOM 982 CA THR A 122 -10.166 -16.739 0.154 1.00 0.00 C ATOM 983 C THR A 122 -11.333 -15.809 -0.155 1.00 0.00 C ATOM 984 O THR A 122 -11.570 -15.457 -1.311 1.00 0.00 O ATOM 985 CB THR A 122 -8.848 -15.960 -0.008 1.00 0.00 C ATOM 986 OG1 THR A 122 -7.738 -16.867 -0.011 1.00 0.13 O ATOM 987 CG2 THR A 122 -8.676 -14.947 1.114 1.00 0.14 C ATOM 0 H THR A 122 -9.969 -17.740 -1.678 1.00 0.00 H new ATOM 0 HA THR A 122 -10.249 -17.091 1.182 1.00 0.00 H new ATOM 0 HB THR A 122 -8.883 -15.426 -0.957 1.00 0.00 H new ATOM 0 HG1 THR A 122 -7.331 -16.889 0.880 1.00 0.13 H new ATOM 0 HG21 THR A 122 -7.738 -14.409 0.978 1.00 0.14 H new ATOM 0 HG22 THR A 122 -9.505 -14.240 1.096 1.00 0.14 H new ATOM 0 HG23 THR A 122 -8.661 -15.465 2.073 1.00 0.14 H new ATOM 995 N ALA A 123 -12.061 -15.416 0.885 1.00 0.00 N ATOM 996 CA ALA A 123 -13.206 -14.527 0.723 1.00 0.00 C ATOM 997 C ALA A 123 -12.772 -13.064 0.717 1.00 0.00 C ATOM 998 O ALA A 123 -11.862 -12.672 1.448 1.00 0.00 O ATOM 999 CB ALA A 123 -14.221 -14.772 1.829 1.00 0.00 C ATOM 0 H ALA A 123 -11.879 -15.699 1.848 1.00 0.00 H new ATOM 0 HA ALA A 123 -13.670 -14.744 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -15.071 -14.103 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -14.563 -15.806 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.757 -14.583 2.797 1.00 0.00 H new ATOM 1005 N TYR A 124 -13.429 -12.261 -0.114 1.00 0.00 N ATOM 1006 CA TYR A 124 -13.112 -10.841 -0.216 1.00 0.00 C ATOM 1007 C TYR A 124 -13.091 -10.186 1.161 1.00 0.00 C ATOM 1008 O TYR A 124 -12.342 -9.238 1.398 1.00 0.00 O ATOM 1009 CB TYR A 124 -14.131 -10.134 -1.111 1.00 0.00 C ATOM 1010 CG TYR A 124 -15.406 -9.753 -0.394 1.00 0.83 C ATOM 1011 CD1 TYR A 124 -15.528 -8.525 0.244 1.00 1.62 C ATOM 1012 CD2 TYR A 124 -16.489 -10.623 -0.355 1.00 1.59 C ATOM 1013 CE1 TYR A 124 -16.693 -8.176 0.902 1.00 2.25 C ATOM 1014 CE2 TYR A 124 -17.656 -10.280 0.300 1.00 2.21 C ATOM 1015 CZ TYR A 124 -17.753 -9.056 0.927 1.00 2.35 C ATOM 1016 OH TYR A 124 -18.915 -8.711 1.581 1.00 3.10 O ATOM 0 H TYR A 124 -14.184 -12.569 -0.726 1.00 0.00 H new ATOM 0 HA TYR A 124 -12.120 -10.748 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.675 -9.235 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.377 -10.784 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -14.700 -7.832 0.226 1.00 1.62 H new ATOM 0 HD2 TYR A 124 -16.417 -11.583 -0.845 1.00 1.59 H new ATOM 0 HE1 TYR A 124 -16.772 -7.218 1.394 1.00 2.25 H new ATOM 0 HE2 TYR A 124 -18.489 -10.968 0.321 1.00 2.21 H new ATOM 0 HH TYR A 124 -19.564 -9.442 1.503 1.00 3.10 H new ATOM 1026 N GLN A 125 -13.918 -10.696 2.067 1.00 0.00 N ATOM 1027 CA GLN A 125 -13.994 -10.161 3.420 1.00 0.00 C ATOM 1028 C GLN A 125 -12.614 -10.113 4.067 1.00 0.00 C ATOM 1029 O GLN A 125 -12.194 -9.076 4.580 1.00 0.00 O ATOM 1030 CB GLN A 125 -14.940 -11.007 4.273 1.00 0.00 C ATOM 1031 CG GLN A 125 -15.680 -10.210 5.335 1.00 0.86 C ATOM 1032 CD GLN A 125 -17.117 -10.660 5.508 1.00 0.95 C ATOM 1033 OE1 GLN A 125 -18.051 -9.880 5.326 1.00 1.37 O ATOM 1034 NE2 GLN A 125 -17.300 -11.928 5.862 1.00 1.90 N ATOM 0 H GLN A 125 -14.545 -11.480 1.888 1.00 0.00 H new ATOM 0 HA GLN A 125 -14.381 -9.144 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.668 -11.491 3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.369 -11.799 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -15.156 -10.306 6.286 1.00 0.86 H new ATOM 0 HG3 GLN A 125 -15.664 -9.153 5.068 1.00 0.86 H new ATOM 0 HE21 GLN A 125 -16.496 -12.540 6.002 1.00 1.90 H new ATOM 0 HE22 GLN A 125 -18.245 -12.290 5.993 1.00 1.90 H new ATOM 1043 N SER A 126 -11.912 -11.241 4.040 1.00 0.00 N ATOM 1044 CA SER A 126 -10.578 -11.324 4.625 1.00 0.00 C ATOM 1045 C SER A 126 -9.693 -10.191 4.119 1.00 0.00 C ATOM 1046 O SER A 126 -8.914 -9.611 4.877 1.00 0.00 O ATOM 1047 CB SER A 126 -9.935 -12.674 4.297 1.00 0.00 C ATOM 1048 OG SER A 126 -10.003 -13.553 5.406 1.00 1.11 O ATOM 0 H SER A 126 -12.244 -12.109 3.620 1.00 0.00 H new ATOM 0 HA SER A 126 -10.677 -11.231 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.440 -13.123 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.894 -12.525 4.010 1.00 0.00 H new ATOM 0 HG SER A 126 -9.587 -14.409 5.171 1.00 1.11 H new ATOM 1054 N PHE A 127 -9.816 -9.880 2.833 1.00 0.00 N ATOM 1055 CA PHE A 127 -9.027 -8.815 2.225 1.00 0.00 C ATOM 1056 C PHE A 127 -9.385 -7.459 2.827 1.00 0.00 C ATOM 1057 O PHE A 127 -8.527 -6.767 3.376 1.00 0.00 O ATOM 1058 CB PHE A 127 -9.246 -8.786 0.712 1.00 0.00 C ATOM 1059 CG PHE A 127 -8.531 -7.656 0.028 1.00 0.44 C ATOM 1060 CD1 PHE A 127 -9.137 -6.416 -0.104 1.00 1.32 C ATOM 1061 CD2 PHE A 127 -7.254 -7.831 -0.479 1.00 1.38 C ATOM 1062 CE1 PHE A 127 -8.481 -5.372 -0.730 1.00 1.54 C ATOM 1063 CE2 PHE A 127 -6.594 -6.792 -1.107 1.00 1.62 C ATOM 1064 CZ PHE A 127 -7.207 -5.560 -1.232 1.00 1.24 C ATOM 0 H PHE A 127 -10.455 -10.350 2.192 1.00 0.00 H new ATOM 0 HA PHE A 127 -7.976 -9.018 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.909 -9.731 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -10.314 -8.707 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.132 -6.264 0.286 1.00 1.32 H new ATOM 0 HD2 PHE A 127 -6.768 -8.791 -0.382 1.00 1.38 H new ATOM 0 HE1 PHE A 127 -8.964 -4.411 -0.827 1.00 1.54 H new ATOM 0 HE2 PHE A 127 -5.599 -6.943 -1.500 1.00 1.62 H new ATOM 0 HZ PHE A 127 -6.692 -4.746 -1.721 1.00 1.24 H new ATOM 1074 N GLU A 128 -10.655 -7.085 2.716 1.00 0.00 N ATOM 1075 CA GLU A 128 -11.127 -5.810 3.247 1.00 0.00 C ATOM 1076 C GLU A 128 -10.798 -5.673 4.732 1.00 0.00 C ATOM 1077 O GLU A 128 -10.621 -4.564 5.238 1.00 0.00 O ATOM 1078 CB GLU A 128 -12.636 -5.673 3.035 1.00 0.00 C ATOM 1079 CG GLU A 128 -13.239 -4.456 3.718 1.00 1.17 C ATOM 1080 CD GLU A 128 -14.745 -4.390 3.567 1.00 1.44 C ATOM 1081 OE1 GLU A 128 -15.311 -5.262 2.872 1.00 1.54 O ATOM 1082 OE2 GLU A 128 -15.361 -3.469 4.143 1.00 2.28 O ATOM 0 H GLU A 128 -11.377 -7.646 2.263 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.614 -5.014 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.841 -5.618 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -13.130 -6.570 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.984 -4.475 4.778 1.00 1.17 H new ATOM 0 HG3 GLU A 128 -12.796 -3.552 3.300 1.00 1.17 H new ATOM 1089 N GLN A 129 -10.719 -6.804 5.428 1.00 0.00 N ATOM 1090 CA GLN A 129 -10.415 -6.806 6.854 1.00 0.00 C ATOM 1091 C GLN A 129 -8.973 -6.375 7.111 1.00 0.00 C ATOM 1092 O GLN A 129 -8.682 -5.710 8.106 1.00 0.00 O ATOM 1093 CB GLN A 129 -10.656 -8.196 7.443 1.00 0.00 C ATOM 1094 CG GLN A 129 -10.450 -8.266 8.947 1.00 0.94 C ATOM 1095 CD GLN A 129 -11.468 -9.155 9.634 1.00 1.45 C ATOM 1096 OE1 GLN A 129 -12.658 -8.844 9.669 1.00 1.98 O ATOM 1097 NE2 GLN A 129 -11.002 -10.269 10.186 1.00 2.12 N ATOM 0 H GLN A 129 -10.862 -7.731 5.026 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.077 -6.090 7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.674 -8.508 7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -9.986 -8.907 6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.447 -8.639 9.156 1.00 0.94 H new ATOM 0 HG3 GLN A 129 -10.509 -7.261 9.365 1.00 0.94 H new ATOM 0 HE21 GLN A 129 -10.007 -10.487 10.133 1.00 2.12 H new ATOM 0 HE22 GLN A 129 -11.639 -10.907 10.663 1.00 2.12 H new ATOM 1106 N VAL A 130 -8.075 -6.758 6.210 1.00 0.00 N ATOM 1107 CA VAL A 130 -6.663 -6.411 6.340 1.00 0.00 C ATOM 1108 C VAL A 130 -6.364 -5.017 5.783 1.00 0.00 C ATOM 1109 O VAL A 130 -5.320 -4.434 6.079 1.00 0.01 O ATOM 1110 CB VAL A 130 -5.768 -7.443 5.626 1.00 0.00 C ATOM 1111 CG1 VAL A 130 -4.344 -6.924 5.493 1.00 0.19 C ATOM 1112 CG2 VAL A 130 -5.790 -8.769 6.370 1.00 0.19 C ATOM 0 H VAL A 130 -8.299 -7.309 5.381 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.440 -6.415 7.407 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.163 -7.604 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -3.731 -7.669 4.986 1.00 0.19 H new ATOM 0 HG12 VAL A 130 -4.346 -6.001 4.914 1.00 0.19 H new ATOM 0 HG13 VAL A 130 -3.934 -6.730 6.484 1.00 0.19 H new ATOM 0 HG21 VAL A 130 -5.153 -9.487 5.853 1.00 0.19 H new ATOM 0 HG22 VAL A 130 -5.422 -8.623 7.385 1.00 0.19 H new ATOM 0 HG23 VAL A 130 -6.811 -9.149 6.406 1.00 0.19 H new ATOM 1122 N VAL A 131 -7.279 -4.481 4.977 1.00 0.00 N ATOM 1123 CA VAL A 131 -7.099 -3.159 4.389 1.00 0.00 C ATOM 1124 C VAL A 131 -7.649 -2.054 5.294 1.00 0.00 C ATOM 1125 O VAL A 131 -7.280 -0.889 5.154 1.00 0.00 O ATOM 1126 CB VAL A 131 -7.785 -3.064 3.014 1.00 0.01 C ATOM 1127 CG1 VAL A 131 -7.325 -1.821 2.267 1.00 1.23 C ATOM 1128 CG2 VAL A 131 -7.512 -4.318 2.197 1.00 1.22 C ATOM 0 H VAL A 131 -8.151 -4.943 4.718 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.025 -3.017 4.272 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.861 -2.984 3.170 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -7.822 -1.774 1.298 1.00 1.23 H new ATOM 0 HG12 VAL A 131 -7.577 -0.934 2.848 1.00 1.23 H new ATOM 0 HG13 VAL A 131 -6.246 -1.864 2.119 1.00 1.23 H new ATOM 0 HG21 VAL A 131 -8.004 -4.235 1.228 1.00 1.22 H new ATOM 0 HG22 VAL A 131 -6.438 -4.430 2.050 1.00 1.22 H new ATOM 0 HG23 VAL A 131 -7.899 -5.189 2.727 1.00 1.22 H new ATOM 1138 N ASN A 132 -8.537 -2.420 6.218 1.00 0.00 N ATOM 1139 CA ASN A 132 -9.133 -1.449 7.130 1.00 0.00 C ATOM 1140 C ASN A 132 -8.162 -1.055 8.240 1.00 0.00 C ATOM 1141 O ASN A 132 -8.140 0.095 8.678 1.00 0.00 O ATOM 1142 CB ASN A 132 -10.416 -2.017 7.740 1.00 0.00 C ATOM 1143 CG ASN A 132 -11.424 -0.937 8.078 1.00 0.68 C ATOM 1144 OD1 ASN A 132 -11.588 0.032 7.336 1.00 0.98 O ATOM 1145 ND2 ASN A 132 -12.106 -1.097 9.207 1.00 1.61 N ATOM 0 H ASN A 132 -8.858 -3.379 6.353 1.00 0.00 H new ATOM 0 HA ASN A 132 -9.370 -0.554 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -10.865 -2.723 7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -10.169 -2.575 8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -12.797 -0.402 9.488 1.00 1.61 H new ATOM 0 HD22 ASN A 132 -11.938 -1.915 9.792 1.00 1.61 H new ATOM 1152 N GLU A 133 -7.365 -2.014 8.699 1.00 0.00 N ATOM 1153 CA GLU A 133 -6.402 -1.760 9.766 1.00 0.00 C ATOM 1154 C GLU A 133 -5.531 -0.548 9.447 1.00 0.00 C ATOM 1155 O GLU A 133 -5.219 0.249 10.332 1.00 0.00 O ATOM 1156 CB GLU A 133 -5.525 -2.990 10.001 1.00 0.03 C ATOM 1157 CG GLU A 133 -4.984 -3.609 8.724 1.00 0.96 C ATOM 1158 CD GLU A 133 -3.834 -4.563 8.980 1.00 1.14 C ATOM 1159 OE1 GLU A 133 -2.778 -4.103 9.465 1.00 1.90 O ATOM 1160 OE2 GLU A 133 -3.989 -5.769 8.697 1.00 1.31 O ATOM 0 H GLU A 133 -7.366 -2.973 8.350 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.963 -1.547 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -4.688 -2.711 10.642 1.00 0.03 H new ATOM 0 HB3 GLU A 133 -6.104 -3.740 10.541 1.00 0.03 H new ATOM 0 HG2 GLU A 133 -5.787 -4.142 8.215 1.00 0.96 H new ATOM 0 HG3 GLU A 133 -4.652 -2.817 8.053 1.00 0.96 H new ATOM 1167 N LEU A 134 -5.141 -0.408 8.183 1.00 0.00 N ATOM 1168 CA LEU A 134 -4.309 0.717 7.766 1.00 0.00 C ATOM 1169 C LEU A 134 -5.110 2.014 7.781 1.00 0.00 C ATOM 1170 O LEU A 134 -4.604 3.063 8.180 1.00 0.00 O ATOM 1171 CB LEU A 134 -3.732 0.474 6.367 1.00 0.02 C ATOM 1172 CG LEU A 134 -2.279 0.918 6.176 1.00 0.34 C ATOM 1173 CD1 LEU A 134 -1.988 1.187 4.708 1.00 0.87 C ATOM 1174 CD2 LEU A 134 -1.981 2.156 7.009 1.00 0.96 C ATOM 0 H LEU A 134 -5.386 -1.055 7.434 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.485 0.807 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -3.803 -0.590 6.142 1.00 0.02 H new ATOM 0 HB3 LEU A 134 -4.353 0.996 5.639 1.00 0.02 H new ATOM 0 HG LEU A 134 -1.631 0.110 6.514 1.00 0.34 H new ATOM 0 HD11 LEU A 134 -0.950 1.501 4.594 1.00 0.87 H new ATOM 0 HD12 LEU A 134 -2.157 0.278 4.131 1.00 0.87 H new ATOM 0 HD13 LEU A 134 -2.648 1.975 4.345 1.00 0.87 H new ATOM 0 HD21 LEU A 134 -0.944 2.455 6.859 1.00 0.96 H new ATOM 0 HD22 LEU A 134 -2.640 2.968 6.703 1.00 0.96 H new ATOM 0 HD23 LEU A 134 -2.145 1.933 8.063 1.00 0.96 H new ATOM 1186 N PHE A 135 -6.365 1.935 7.349 1.00 0.00 N ATOM 1187 CA PHE A 135 -7.239 3.103 7.317 1.00 0.00 C ATOM 1188 C PHE A 135 -8.120 3.165 8.562 1.00 0.00 C ATOM 1189 O PHE A 135 -9.220 3.719 8.525 1.00 0.00 O ATOM 1190 CB PHE A 135 -8.113 3.079 6.062 1.00 0.00 C ATOM 1191 CG PHE A 135 -7.337 2.985 4.775 1.00 0.05 C ATOM 1192 CD1 PHE A 135 -5.960 3.157 4.755 1.00 1.20 C ATOM 1193 CD2 PHE A 135 -7.992 2.723 3.581 1.00 1.18 C ATOM 1194 CE1 PHE A 135 -5.256 3.069 3.570 1.00 1.21 C ATOM 1195 CE2 PHE A 135 -7.290 2.635 2.394 1.00 1.19 C ATOM 1196 CZ PHE A 135 -5.920 2.808 2.388 1.00 0.13 C ATOM 0 H PHE A 135 -6.800 1.074 7.016 1.00 0.00 H new ATOM 0 HA PHE A 135 -6.609 3.992 7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -8.797 2.232 6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -8.724 3.981 6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -5.434 3.362 5.675 1.00 1.20 H new ATOM 0 HD2 PHE A 135 -9.063 2.586 3.579 1.00 1.18 H new ATOM 0 HE1 PHE A 135 -4.185 3.205 3.568 1.00 1.21 H new ATOM 0 HE2 PHE A 135 -7.813 2.431 1.471 1.00 1.19 H new ATOM 0 HZ PHE A 135 -5.370 2.739 1.461 1.00 0.13 H new ATOM 1206 N ARG A 136 -7.634 2.599 9.662 1.00 0.00 N ATOM 1207 CA ARG A 136 -8.381 2.595 10.913 1.00 0.00 C ATOM 1208 C ARG A 136 -8.280 3.950 11.608 1.00 0.00 C ATOM 1209 O ARG A 136 -9.206 4.374 12.300 1.00 0.00 O ATOM 1210 CB ARG A 136 -7.858 1.493 11.837 1.00 0.00 C ATOM 1211 CG ARG A 136 -8.958 0.702 12.525 1.00 0.59 C ATOM 1212 CD ARG A 136 -8.509 0.189 13.884 1.00 0.86 C ATOM 1213 NE ARG A 136 -9.606 0.163 14.847 1.00 1.64 N ATOM 1214 CZ ARG A 136 -9.499 -0.315 16.087 1.00 2.21 C ATOM 1215 NH1 ARG A 136 -8.346 -0.808 16.523 1.00 2.49 N ATOM 1216 NH2 ARG A 136 -10.551 -0.298 16.893 1.00 2.98 N ATOM 0 H ARG A 136 -6.726 2.137 9.712 1.00 0.00 H new ATOM 0 HA ARG A 136 -9.429 2.401 10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -7.238 0.809 11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -7.216 1.941 12.595 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -9.839 1.332 12.646 1.00 0.59 H new ATOM 0 HG3 ARG A 136 -9.251 -0.139 11.896 1.00 0.59 H new ATOM 0 HD2 ARG A 136 -8.098 -0.815 13.775 1.00 0.86 H new ATOM 0 HD3 ARG A 136 -7.707 0.822 14.264 1.00 0.86 H new ATOM 0 HE ARG A 136 -10.510 0.533 14.553 1.00 1.64 H new ATOM 0 HH11 ARG A 136 -7.533 -0.823 15.908 1.00 2.49 H new ATOM 0 HH12 ARG A 136 -8.274 -1.172 17.473 1.00 2.49 H new ATOM 0 HH21 ARG A 136 -11.439 0.080 16.564 1.00 2.98 H new ATOM 0 HH22 ARG A 136 -10.472 -0.663 17.842 1.00 2.98 H new ATOM 1230 N ASP A 137 -7.150 4.626 11.419 1.00 0.00 N ATOM 1231 CA ASP A 137 -6.931 5.932 12.027 1.00 0.00 C ATOM 1232 C ASP A 137 -7.086 7.047 10.997 1.00 0.00 C ATOM 1233 O ASP A 137 -6.264 7.961 10.928 1.00 0.00 O ATOM 1234 CB ASP A 137 -5.540 5.999 12.661 1.00 0.00 C ATOM 1235 CG ASP A 137 -5.518 5.428 14.066 1.00 1.01 C ATOM 1236 OD1 ASP A 137 -6.158 6.022 14.958 1.00 1.61 O ATOM 1237 OD2 ASP A 137 -4.860 4.386 14.273 1.00 1.89 O ATOM 0 H ASP A 137 -6.373 4.290 10.850 1.00 0.00 H new ATOM 0 HA ASP A 137 -7.683 6.071 12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.833 5.452 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.205 7.036 12.688 1.00 0.00 H new ATOM 1242 N GLY A 138 -8.146 6.967 10.199 1.00 0.00 N ATOM 1243 CA GLY A 138 -8.389 7.976 9.185 1.00 0.00 C ATOM 1244 C GLY A 138 -7.659 7.687 7.888 1.00 0.00 C ATOM 1245 O GLY A 138 -6.660 6.969 7.878 1.00 0.00 O ATOM 0 H GLY A 138 -8.841 6.221 10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -9.459 8.038 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -8.077 8.949 9.564 1.00 0.00 H new ATOM 1249 N VAL A 139 -8.161 8.249 6.792 1.00 0.00 N ATOM 1250 CA VAL A 139 -7.549 8.048 5.484 1.00 0.00 C ATOM 1251 C VAL A 139 -6.587 9.181 5.142 1.00 0.00 C ATOM 1252 O VAL A 139 -6.732 10.301 5.631 1.00 0.00 O ATOM 1253 CB VAL A 139 -8.613 7.943 4.375 1.00 0.00 C ATOM 1254 CG1 VAL A 139 -8.054 7.205 3.170 1.00 0.86 C ATOM 1255 CG2 VAL A 139 -9.867 7.256 4.898 1.00 0.86 C ATOM 0 H VAL A 139 -8.988 8.846 6.784 1.00 0.00 H new ATOM 0 HA VAL A 139 -6.996 7.111 5.538 1.00 0.00 H new ATOM 0 HB VAL A 139 -8.886 8.951 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -8.819 7.140 2.396 1.00 0.86 H new ATOM 0 HG12 VAL A 139 -7.190 7.744 2.782 1.00 0.86 H new ATOM 0 HG13 VAL A 139 -7.752 6.201 3.467 1.00 0.86 H new ATOM 0 HG21 VAL A 139 -10.606 7.192 4.100 1.00 0.86 H new ATOM 0 HG22 VAL A 139 -9.616 6.253 5.242 1.00 0.86 H new ATOM 0 HG23 VAL A 139 -10.278 7.831 5.728 1.00 0.86 H new ATOM 1265 N ASN A 140 -5.602 8.881 4.300 1.00 0.00 N ATOM 1266 CA ASN A 140 -4.615 9.874 3.892 1.00 0.00 C ATOM 1267 C ASN A 140 -3.913 9.448 2.604 1.00 0.00 C ATOM 1268 O ASN A 140 -3.756 8.257 2.339 1.00 0.00 O ATOM 1269 CB ASN A 140 -3.587 10.086 5.004 1.00 0.01 C ATOM 1270 CG ASN A 140 -2.812 11.378 4.838 1.00 1.40 C ATOM 1271 OD1 ASN A 140 -3.253 12.294 4.144 1.00 2.37 O ATOM 1272 ND2 ASN A 140 -1.650 11.457 5.473 1.00 1.96 N ATOM 0 H ASN A 140 -5.467 7.958 3.887 1.00 0.00 H new ATOM 0 HA ASN A 140 -5.135 10.813 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -4.095 10.092 5.968 1.00 0.01 H new ATOM 0 HB3 ASN A 140 -2.891 9.247 5.016 1.00 0.01 H new ATOM 0 HD21 ASN A 140 -1.083 12.302 5.397 1.00 1.96 H new ATOM 0 HD22 ASN A 140 -1.323 10.673 6.038 1.00 1.96 H new ATOM 1279 N TRP A 141 -3.500 10.432 1.810 1.00 0.00 N ATOM 1280 CA TRP A 141 -2.820 10.172 0.541 1.00 0.00 C ATOM 1281 C TRP A 141 -1.753 9.091 0.686 1.00 0.00 C ATOM 1282 O TRP A 141 -1.681 8.169 -0.125 1.00 0.00 O ATOM 1283 CB TRP A 141 -2.177 11.456 0.012 1.00 0.00 C ATOM 1284 CG TRP A 141 -3.169 12.534 -0.296 1.00 0.12 C ATOM 1285 CD1 TRP A 141 -3.161 13.814 0.178 1.00 0.91 C ATOM 1286 CD2 TRP A 141 -4.315 12.427 -1.148 1.00 1.21 C ATOM 1287 NE1 TRP A 141 -4.233 14.510 -0.327 1.00 0.51 N ATOM 1288 CE2 TRP A 141 -4.955 13.680 -1.143 1.00 0.86 C ATOM 1289 CE3 TRP A 141 -4.860 11.394 -1.914 1.00 2.48 C ATOM 1290 CZ2 TRP A 141 -6.114 13.926 -1.874 1.00 1.72 C ATOM 1291 CZ3 TRP A 141 -6.010 11.639 -2.640 1.00 3.33 C ATOM 1292 CH2 TRP A 141 -6.626 12.896 -2.616 1.00 2.95 C ATOM 0 H TRP A 141 -3.624 11.422 2.023 1.00 0.00 H new ATOM 0 HA TRP A 141 -3.571 9.819 -0.166 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -1.465 11.827 0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -1.611 11.225 -0.890 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -2.421 14.220 0.851 1.00 0.91 H new ATOM 0 HE1 TRP A 141 -4.455 15.485 -0.127 1.00 0.51 H new ATOM 0 HE3 TRP A 141 -4.391 10.421 -1.938 1.00 2.48 H new ATOM 0 HZ2 TRP A 141 -6.592 14.894 -1.856 1.00 1.72 H new ATOM 0 HZ3 TRP A 141 -6.441 10.848 -3.236 1.00 3.33 H new ATOM 0 HH2 TRP A 141 -7.524 13.056 -3.195 1.00 2.95 H new ATOM 1303 N GLY A 142 -0.923 9.217 1.712 1.00 0.00 N ATOM 1304 CA GLY A 142 0.134 8.248 1.931 1.00 0.00 C ATOM 1305 C GLY A 142 -0.392 6.854 2.189 1.00 0.00 C ATOM 1306 O GLY A 142 -0.151 5.940 1.400 1.00 0.00 O ATOM 0 H GLY A 142 -0.962 9.972 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.789 8.229 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 142 0.741 8.565 2.779 1.00 0.00 H new ATOM 1310 N ARG A 143 -1.109 6.686 3.299 1.00 0.00 N ATOM 1311 CA ARG A 143 -1.666 5.387 3.655 1.00 0.00 C ATOM 1312 C ARG A 143 -2.360 4.755 2.455 1.00 0.00 C ATOM 1313 O ARG A 143 -2.372 3.533 2.305 1.00 0.00 O ATOM 1314 CB ARG A 143 -2.649 5.524 4.818 1.00 0.02 C ATOM 1315 CG ARG A 143 -1.984 5.520 6.184 1.00 1.16 C ATOM 1316 CD ARG A 143 -1.886 6.922 6.763 1.00 1.04 C ATOM 1317 NE ARG A 143 -2.611 7.042 8.026 1.00 1.23 N ATOM 1318 CZ ARG A 143 -2.139 6.620 9.198 1.00 1.17 C ATOM 1319 NH1 ARG A 143 -0.933 6.071 9.281 1.00 1.55 N ATOM 1320 NH2 ARG A 143 -2.875 6.752 10.294 1.00 1.83 N ATOM 0 H ARG A 143 -1.316 7.432 3.964 1.00 0.00 H new ATOM 0 HA ARG A 143 -0.846 4.739 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -3.211 6.451 4.700 1.00 0.02 H new ATOM 0 HB3 ARG A 143 -3.369 4.707 4.772 1.00 0.02 H new ATOM 0 HG2 ARG A 143 -2.551 4.884 6.864 1.00 1.16 H new ATOM 0 HG3 ARG A 143 -0.986 5.089 6.102 1.00 1.16 H new ATOM 0 HD2 ARG A 143 -0.838 7.177 6.920 1.00 1.04 H new ATOM 0 HD3 ARG A 143 -2.285 7.640 6.046 1.00 1.04 H new ATOM 0 HE ARG A 143 -3.534 7.475 8.009 1.00 1.23 H new ATOM 0 HH11 ARG A 143 -0.360 5.970 8.443 1.00 1.55 H new ATOM 0 HH12 ARG A 143 -0.579 5.751 10.183 1.00 1.55 H new ATOM 0 HH21 ARG A 143 -3.801 7.176 10.238 1.00 1.83 H new ATOM 0 HH22 ARG A 143 -2.515 6.429 11.192 1.00 1.83 H new ATOM 1334 N ILE A 144 -2.921 5.596 1.590 1.00 0.00 N ATOM 1335 CA ILE A 144 -3.597 5.115 0.393 1.00 0.00 C ATOM 1336 C ILE A 144 -2.583 4.534 -0.583 1.00 0.00 C ATOM 1337 O ILE A 144 -2.767 3.438 -1.111 1.00 0.00 O ATOM 1338 CB ILE A 144 -4.386 6.238 -0.310 1.00 0.05 C ATOM 1339 CG1 ILE A 144 -5.649 6.577 0.487 1.00 1.36 C ATOM 1340 CG2 ILE A 144 -4.741 5.824 -1.732 1.00 1.34 C ATOM 1341 CD1 ILE A 144 -6.565 7.559 -0.212 1.00 2.16 C ATOM 0 H ILE A 144 -2.920 6.610 1.697 1.00 0.00 H new ATOM 0 HA ILE A 144 -4.301 4.344 0.706 1.00 0.00 H new ATOM 0 HB ILE A 144 -3.761 7.130 -0.359 1.00 0.05 H new ATOM 0 HG12 ILE A 144 -6.200 5.658 0.686 1.00 1.36 H new ATOM 0 HG13 ILE A 144 -5.358 6.989 1.453 1.00 1.36 H new ATOM 0 HG21 ILE A 144 -5.298 6.626 -2.216 1.00 1.34 H new ATOM 0 HG22 ILE A 144 -3.827 5.627 -2.292 1.00 1.34 H new ATOM 0 HG23 ILE A 144 -5.353 4.922 -1.706 1.00 1.34 H new ATOM 0 HD11 ILE A 144 -7.438 7.751 0.413 1.00 2.16 H new ATOM 0 HD12 ILE A 144 -6.031 8.493 -0.387 1.00 2.16 H new ATOM 0 HD13 ILE A 144 -6.886 7.141 -1.166 1.00 2.16 H new ATOM 1353 N VAL A 145 -1.504 5.277 -0.805 1.00 0.00 N ATOM 1354 CA VAL A 145 -0.448 4.837 -1.706 1.00 0.00 C ATOM 1355 C VAL A 145 -0.016 3.412 -1.373 1.00 0.00 C ATOM 1356 O VAL A 145 0.412 2.662 -2.251 1.00 0.00 O ATOM 1357 CB VAL A 145 0.775 5.771 -1.630 1.00 0.01 C ATOM 1358 CG1 VAL A 145 1.866 5.310 -2.582 1.00 0.12 C ATOM 1359 CG2 VAL A 145 0.372 7.207 -1.931 1.00 0.12 C ATOM 0 H VAL A 145 -1.339 6.186 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 145 -0.850 4.866 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 145 1.171 5.731 -0.615 1.00 0.01 H new ATOM 0 HG11 VAL A 145 2.719 5.984 -2.511 1.00 0.12 H new ATOM 0 HG12 VAL A 145 2.178 4.300 -2.316 1.00 0.12 H new ATOM 0 HG13 VAL A 145 1.484 5.314 -3.603 1.00 0.12 H new ATOM 0 HG21 VAL A 145 1.249 7.851 -1.872 1.00 0.12 H new ATOM 0 HG22 VAL A 145 -0.053 7.263 -2.933 1.00 0.12 H new ATOM 0 HG23 VAL A 145 -0.370 7.537 -1.203 1.00 0.12 H new ATOM 1369 N ALA A 146 -0.138 3.043 -0.100 1.00 0.00 N ATOM 1370 CA ALA A 146 0.232 1.708 0.349 1.00 0.00 C ATOM 1371 C ALA A 146 -0.787 0.675 -0.119 1.00 0.00 C ATOM 1372 O ALA A 146 -0.422 -0.420 -0.548 1.00 0.00 O ATOM 1373 CB ALA A 146 0.359 1.678 1.865 1.00 0.00 C ATOM 0 H ALA A 146 -0.491 3.652 0.638 1.00 0.00 H new ATOM 0 HA ALA A 146 1.197 1.455 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 146 0.636 0.674 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.127 2.385 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.595 1.953 2.316 1.00 0.00 H new ATOM 1379 N PHE A 147 -2.066 1.032 -0.038 1.00 0.00 N ATOM 1380 CA PHE A 147 -3.135 0.133 -0.460 1.00 0.00 C ATOM 1381 C PHE A 147 -2.840 -0.429 -1.845 1.00 0.00 C ATOM 1382 O PHE A 147 -2.955 -1.632 -2.076 1.00 0.00 O ATOM 1383 CB PHE A 147 -4.479 0.865 -0.468 1.00 0.01 C ATOM 1384 CG PHE A 147 -5.527 0.182 -1.298 1.00 0.30 C ATOM 1385 CD1 PHE A 147 -6.028 -1.054 -0.924 1.00 1.15 C ATOM 1386 CD2 PHE A 147 -6.010 0.774 -2.454 1.00 0.90 C ATOM 1387 CE1 PHE A 147 -6.992 -1.686 -1.686 1.00 1.34 C ATOM 1388 CE2 PHE A 147 -6.973 0.146 -3.221 1.00 0.98 C ATOM 1389 CZ PHE A 147 -7.465 -1.085 -2.836 1.00 0.85 C ATOM 0 H PHE A 147 -2.386 1.934 0.315 1.00 0.00 H new ATOM 0 HA PHE A 147 -3.190 -0.692 0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -4.840 0.956 0.556 1.00 0.01 H new ATOM 0 HB3 PHE A 147 -4.331 1.877 -0.845 1.00 0.01 H new ATOM 0 HD1 PHE A 147 -5.661 -1.529 -0.026 1.00 1.15 H new ATOM 0 HD2 PHE A 147 -5.629 1.738 -2.759 1.00 0.90 H new ATOM 0 HE1 PHE A 147 -7.375 -2.649 -1.383 1.00 1.34 H new ATOM 0 HE2 PHE A 147 -7.340 0.618 -4.120 1.00 0.98 H new ATOM 0 HZ PHE A 147 -8.218 -1.577 -3.433 1.00 0.85 H new ATOM 1399 N PHE A 148 -2.450 0.451 -2.763 1.00 0.00 N ATOM 1400 CA PHE A 148 -2.127 0.043 -4.123 1.00 0.00 C ATOM 1401 C PHE A 148 -0.933 -0.904 -4.127 1.00 0.00 C ATOM 1402 O PHE A 148 -0.891 -1.864 -4.896 1.00 0.00 O ATOM 1403 CB PHE A 148 -1.829 1.268 -4.990 1.00 0.00 C ATOM 1404 CG PHE A 148 -3.058 1.892 -5.587 1.00 0.11 C ATOM 1405 CD1 PHE A 148 -3.708 1.291 -6.653 1.00 1.07 C ATOM 1406 CD2 PHE A 148 -3.564 3.078 -5.081 1.00 1.22 C ATOM 1407 CE1 PHE A 148 -4.840 1.863 -7.204 1.00 1.04 C ATOM 1408 CE2 PHE A 148 -4.695 3.655 -5.627 1.00 1.28 C ATOM 1409 CZ PHE A 148 -5.334 3.045 -6.690 1.00 0.31 C ATOM 0 H PHE A 148 -2.351 1.451 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 148 -2.988 -0.480 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -1.309 2.013 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -1.151 0.979 -5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -3.326 0.365 -7.058 1.00 1.07 H new ATOM 0 HD2 PHE A 148 -3.069 3.558 -4.250 1.00 1.22 H new ATOM 0 HE1 PHE A 148 -5.337 1.385 -8.035 1.00 1.04 H new ATOM 0 HE2 PHE A 148 -5.079 4.581 -5.224 1.00 1.28 H new ATOM 0 HZ PHE A 148 -6.219 3.493 -7.118 1.00 0.31 H new ATOM 1419 N SER A 149 0.032 -0.630 -3.256 1.00 0.00 N ATOM 1420 CA SER A 149 1.225 -1.462 -3.150 1.00 0.00 C ATOM 1421 C SER A 149 0.878 -2.813 -2.536 1.00 0.00 C ATOM 1422 O SER A 149 1.428 -3.843 -2.923 1.00 0.00 O ATOM 1423 CB SER A 149 2.291 -0.761 -2.305 1.00 0.00 C ATOM 1424 OG SER A 149 3.071 0.119 -3.094 1.00 1.18 O ATOM 0 H SER A 149 0.011 0.162 -2.613 1.00 0.00 H new ATOM 0 HA SER A 149 1.622 -1.623 -4.152 1.00 0.00 H new ATOM 0 HB2 SER A 149 1.812 -0.204 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.937 -1.505 -1.839 1.00 0.00 H new ATOM 0 HG SER A 149 3.743 0.555 -2.530 1.00 1.18 H new ATOM 1430 N PHE A 150 -0.044 -2.799 -1.578 1.00 0.00 N ATOM 1431 CA PHE A 150 -0.474 -4.021 -0.912 1.00 0.00 C ATOM 1432 C PHE A 150 -1.067 -4.999 -1.920 1.00 0.00 C ATOM 1433 O PHE A 150 -0.718 -6.179 -1.936 1.00 0.00 O ATOM 1434 CB PHE A 150 -1.502 -3.702 0.175 1.00 0.00 C ATOM 1435 CG PHE A 150 -2.193 -4.919 0.722 1.00 0.23 C ATOM 1436 CD1 PHE A 150 -1.494 -6.100 0.915 1.00 1.09 C ATOM 1437 CD2 PHE A 150 -3.540 -4.881 1.042 1.00 0.78 C ATOM 1438 CE1 PHE A 150 -2.127 -7.221 1.419 1.00 1.26 C ATOM 1439 CE2 PHE A 150 -4.179 -5.999 1.544 1.00 0.79 C ATOM 1440 CZ PHE A 150 -3.470 -7.170 1.734 1.00 0.67 C ATOM 0 H PHE A 150 -0.507 -1.953 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 150 0.397 -4.483 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -1.005 -3.178 0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -2.250 -3.021 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -0.443 -6.145 0.669 1.00 1.09 H new ATOM 0 HD2 PHE A 150 -4.097 -3.967 0.898 1.00 0.78 H new ATOM 0 HE1 PHE A 150 -1.571 -8.135 1.566 1.00 1.26 H new ATOM 0 HE2 PHE A 150 -5.230 -5.958 1.787 1.00 0.79 H new ATOM 0 HZ PHE A 150 -3.966 -8.044 2.129 1.00 0.67 H new ATOM 1450 N GLY A 151 -1.963 -4.495 -2.763 1.00 0.00 N ATOM 1451 CA GLY A 151 -2.586 -5.334 -3.768 1.00 0.00 C ATOM 1452 C GLY A 151 -1.575 -5.908 -4.739 1.00 0.00 C ATOM 1453 O GLY A 151 -1.675 -7.067 -5.140 1.00 0.00 O ATOM 0 H GLY A 151 -2.268 -3.522 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -3.121 -6.148 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -3.326 -4.752 -4.318 1.00 0.00 H new ATOM 1457 N GLY A 152 -0.593 -5.093 -5.113 1.00 0.00 N ATOM 1458 CA GLY A 152 0.433 -5.543 -6.032 1.00 0.00 C ATOM 1459 C GLY A 152 1.237 -6.696 -5.467 1.00 0.00 C ATOM 1460 O GLY A 152 1.465 -7.697 -6.147 1.00 0.00 O ATOM 0 H GLY A 152 -0.491 -4.129 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -0.030 -5.850 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 152 1.102 -4.714 -6.263 1.00 0.00 H new ATOM 1464 N ALA A 153 1.661 -6.558 -4.215 1.00 0.00 N ATOM 1465 CA ALA A 153 2.437 -7.599 -3.553 1.00 0.00 C ATOM 1466 C ALA A 153 1.689 -8.927 -3.583 1.00 0.00 C ATOM 1467 O ALA A 153 2.229 -9.946 -4.009 1.00 0.00 O ATOM 1468 CB ALA A 153 2.749 -7.195 -2.120 1.00 0.00 C ATOM 0 H ALA A 153 1.480 -5.736 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 153 3.377 -7.724 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 153 3.329 -7.982 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 153 3.324 -6.269 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 153 1.818 -7.044 -1.574 1.00 0.00 H new ATOM 1474 N LEU A 154 0.438 -8.902 -3.132 1.00 0.00 N ATOM 1475 CA LEU A 154 -0.389 -10.101 -3.113 1.00 0.00 C ATOM 1476 C LEU A 154 -0.424 -10.747 -4.493 1.00 0.00 C ATOM 1477 O LEU A 154 -0.390 -11.971 -4.620 1.00 0.00 O ATOM 1478 CB LEU A 154 -1.809 -9.761 -2.659 1.00 0.00 C ATOM 1479 CG LEU A 154 -2.250 -10.434 -1.359 1.00 0.34 C ATOM 1480 CD1 LEU A 154 -1.275 -10.114 -0.237 1.00 0.97 C ATOM 1481 CD2 LEU A 154 -3.659 -9.996 -0.986 1.00 0.99 C ATOM 0 H LEU A 154 -0.023 -8.065 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 154 0.047 -10.807 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.886 -8.681 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -2.504 -10.042 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 154 -2.254 -11.513 -1.512 1.00 0.34 H new ATOM 0 HD11 LEU A 154 -1.604 -10.601 0.681 1.00 0.97 H new ATOM 0 HD12 LEU A 154 -0.282 -10.476 -0.504 1.00 0.97 H new ATOM 0 HD13 LEU A 154 -1.239 -9.036 -0.083 1.00 0.97 H new ATOM 0 HD21 LEU A 154 -3.958 -10.484 -0.058 1.00 0.99 H new ATOM 0 HD22 LEU A 154 -3.680 -8.915 -0.850 1.00 0.99 H new ATOM 0 HD23 LEU A 154 -4.349 -10.275 -1.782 1.00 0.99 H new ATOM 1493 N CYS A 155 -0.486 -9.912 -5.525 1.00 0.00 N ATOM 1494 CA CYS A 155 -0.518 -10.397 -6.899 1.00 0.00 C ATOM 1495 C CYS A 155 0.804 -11.064 -7.260 1.00 0.00 C ATOM 1496 O CYS A 155 0.831 -12.211 -7.704 1.00 0.00 O ATOM 1497 CB CYS A 155 -0.802 -9.244 -7.862 1.00 0.00 C ATOM 1498 SG CYS A 155 -2.517 -8.669 -7.837 1.00 1.49 S ATOM 0 H CYS A 155 -0.515 -8.896 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 155 -1.317 -11.134 -6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -0.146 -8.409 -7.616 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.550 -9.560 -8.874 1.00 0.00 H new ATOM 0 HG CYS A 155 -3.314 -9.687 -7.703 1.00 1.49 H new ATOM 1504 N VAL A 156 1.899 -10.337 -7.062 1.00 0.00 N ATOM 1505 CA VAL A 156 3.226 -10.860 -7.361 1.00 0.00 C ATOM 1506 C VAL A 156 3.428 -12.226 -6.715 1.00 0.00 C ATOM 1507 O VAL A 156 4.103 -13.094 -7.271 1.00 0.00 O ATOM 1508 CB VAL A 156 4.332 -9.904 -6.871 1.00 0.03 C ATOM 1509 CG1 VAL A 156 5.703 -10.540 -7.042 1.00 1.03 C ATOM 1510 CG2 VAL A 156 4.255 -8.577 -7.611 1.00 1.02 C ATOM 0 H VAL A 156 1.893 -9.385 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 156 3.296 -10.955 -8.445 1.00 0.00 H new ATOM 0 HB VAL A 156 4.177 -9.712 -5.809 1.00 0.03 H new ATOM 0 HG11 VAL A 156 6.470 -9.850 -6.691 1.00 1.03 H new ATOM 0 HG12 VAL A 156 5.751 -11.462 -6.463 1.00 1.03 H new ATOM 0 HG13 VAL A 156 5.871 -10.764 -8.095 1.00 1.03 H new ATOM 0 HG21 VAL A 156 5.043 -7.914 -7.253 1.00 1.02 H new ATOM 0 HG22 VAL A 156 4.383 -8.748 -8.680 1.00 1.02 H new ATOM 0 HG23 VAL A 156 3.284 -8.116 -7.431 1.00 1.02 H new ATOM 1520 N GLU A 157 2.833 -12.412 -5.541 1.00 0.00 N ATOM 1521 CA GLU A 157 2.940 -13.673 -4.820 1.00 0.00 C ATOM 1522 C GLU A 157 2.080 -14.743 -5.483 1.00 0.00 C ATOM 1523 O GLU A 157 2.438 -15.920 -5.501 1.00 0.00 O ATOM 1524 CB GLU A 157 2.512 -13.489 -3.362 1.00 0.00 C ATOM 1525 CG GLU A 157 3.591 -13.859 -2.359 1.00 0.80 C ATOM 1526 CD GLU A 157 3.034 -14.114 -0.972 1.00 1.24 C ATOM 1527 OE1 GLU A 157 2.007 -13.495 -0.620 1.00 1.83 O ATOM 1528 OE2 GLU A 157 3.625 -14.933 -0.237 1.00 1.72 O ATOM 0 H GLU A 157 2.271 -11.703 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 157 3.981 -13.995 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 157 2.223 -12.450 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 157 1.628 -14.097 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 157 4.114 -14.750 -2.706 1.00 0.80 H new ATOM 0 HG3 GLU A 157 4.327 -13.056 -2.309 1.00 0.80 H new ATOM 1535 N SER A 158 0.945 -14.321 -6.031 1.00 0.00 N ATOM 1536 CA SER A 158 0.031 -15.237 -6.701 1.00 0.00 C ATOM 1537 C SER A 158 0.665 -15.815 -7.963 1.00 0.00 C ATOM 1538 O SER A 158 0.336 -16.926 -8.380 1.00 0.00 O ATOM 1539 CB SER A 158 -1.274 -14.519 -7.053 1.00 0.00 C ATOM 1540 OG SER A 158 -2.032 -14.236 -5.889 1.00 1.07 O ATOM 0 H SER A 158 0.637 -13.349 -6.024 1.00 0.00 H new ATOM 0 HA SER A 158 -0.186 -16.059 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 158 -1.051 -13.591 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 158 -1.861 -15.138 -7.731 1.00 0.00 H new ATOM 0 HG SER A 158 -1.610 -13.504 -5.394 1.00 1.07 H new ATOM 1546 N VAL A 159 1.575 -15.057 -8.569 1.00 0.00 N ATOM 1547 CA VAL A 159 2.252 -15.499 -9.782 1.00 0.00 C ATOM 1548 C VAL A 159 3.395 -16.455 -9.457 1.00 0.00 C ATOM 1549 O VAL A 159 3.725 -17.335 -10.250 1.00 0.00 O ATOM 1550 CB VAL A 159 2.811 -14.307 -10.583 1.00 0.02 C ATOM 1551 CG1 VAL A 159 2.976 -14.678 -12.047 1.00 1.27 C ATOM 1552 CG2 VAL A 159 1.909 -13.091 -10.434 1.00 1.24 C ATOM 0 H VAL A 159 1.860 -14.135 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 159 1.507 -16.016 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 159 3.793 -14.054 -10.182 1.00 0.02 H new ATOM 0 HG11 VAL A 159 3.372 -13.824 -12.596 1.00 1.27 H new ATOM 0 HG12 VAL A 159 3.666 -15.517 -12.134 1.00 1.27 H new ATOM 0 HG13 VAL A 159 2.008 -14.960 -12.462 1.00 1.27 H new ATOM 0 HG21 VAL A 159 2.321 -12.260 -11.007 1.00 1.24 H new ATOM 0 HG22 VAL A 159 0.912 -13.329 -10.806 1.00 1.24 H new ATOM 0 HG23 VAL A 159 1.847 -12.811 -9.382 1.00 1.24 H new ATOM 1562 N ASP A 160 3.996 -16.276 -8.284 1.00 0.00 N ATOM 1563 CA ASP A 160 5.103 -17.124 -7.857 1.00 0.00 C ATOM 1564 C ASP A 160 4.630 -18.550 -7.599 1.00 0.00 C ATOM 1565 O ASP A 160 5.382 -19.507 -7.787 1.00 0.00 O ATOM 1566 CB ASP A 160 5.752 -16.554 -6.596 1.00 0.00 C ATOM 1567 CG ASP A 160 7.183 -17.023 -6.420 1.00 0.97 C ATOM 1568 OD1 ASP A 160 7.771 -17.516 -7.406 1.00 1.33 O ATOM 1569 OD2 ASP A 160 7.717 -16.895 -5.298 1.00 1.66 O ATOM 0 H ASP A 160 3.735 -15.553 -7.614 1.00 0.00 H new ATOM 0 HA ASP A 160 5.840 -17.146 -8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 160 5.732 -15.465 -6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 160 5.166 -16.848 -5.725 1.00 0.00 H new ATOM 1574 N LYS A 161 3.381 -18.687 -7.168 1.00 0.00 N ATOM 1575 CA LYS A 161 2.812 -20.000 -6.885 1.00 0.00 C ATOM 1576 C LYS A 161 1.992 -20.513 -8.065 1.00 0.00 C ATOM 1577 O LYS A 161 1.041 -21.275 -7.888 1.00 0.00 O ATOM 1578 CB LYS A 161 1.937 -19.940 -5.632 1.00 0.00 C ATOM 1579 CG LYS A 161 2.701 -20.204 -4.346 1.00 0.74 C ATOM 1580 CD LYS A 161 2.169 -21.430 -3.622 1.00 0.79 C ATOM 1581 CE LYS A 161 2.203 -21.245 -2.114 1.00 1.58 C ATOM 1582 NZ LYS A 161 0.965 -20.590 -1.607 1.00 2.43 N ATOM 0 H LYS A 161 2.744 -17.907 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 161 3.637 -20.692 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 161 1.469 -18.957 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 161 1.133 -20.671 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 161 3.758 -20.344 -4.572 1.00 0.74 H new ATOM 0 HG3 LYS A 161 2.627 -19.334 -3.693 1.00 0.74 H new ATOM 0 HD2 LYS A 161 1.146 -21.628 -3.942 1.00 0.79 H new ATOM 0 HD3 LYS A 161 2.763 -22.302 -3.896 1.00 0.79 H new ATOM 0 HE2 LYS A 161 2.324 -22.215 -1.632 1.00 1.58 H new ATOM 0 HE3 LYS A 161 3.070 -20.643 -1.841 1.00 1.58 H new ATOM 0 HZ1 LYS A 161 1.027 -20.482 -0.575 1.00 2.43 H new ATOM 0 HZ2 LYS A 161 0.862 -19.654 -2.048 1.00 2.43 H new ATOM 0 HZ3 LYS A 161 0.140 -21.177 -1.844 1.00 2.43 H new ATOM 1596 N GLU A 162 2.366 -20.094 -9.270 1.00 0.00 N ATOM 1597 CA GLU A 162 1.665 -20.516 -10.477 1.00 0.00 C ATOM 1598 C GLU A 162 0.158 -20.328 -10.330 1.00 0.00 C ATOM 1599 O GLU A 162 -0.604 -21.294 -10.358 1.00 0.00 O ATOM 1600 CB GLU A 162 2.021 -21.996 -10.792 1.00 0.00 C ATOM 1601 CG GLU A 162 3.239 -22.255 -11.739 1.00 0.00 C ATOM 1602 CD GLU A 162 3.078 -23.276 -12.868 1.00 0.00 C ATOM 1603 OE1 GLU A 162 3.381 -24.456 -12.746 1.00 0.00 O ATOM 1604 OE2 GLU A 162 2.567 -22.750 -14.015 1.00 0.00 O ATOM 0 H GLU A 162 3.150 -19.463 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 162 1.986 -19.892 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 162 2.214 -22.505 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 162 1.143 -22.467 -11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 162 3.518 -21.303 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 162 4.079 -22.573 -11.121 1.00 0.00 H new ATOM 1612 N MET A 163 -0.266 -19.079 -10.179 1.00 0.00 N ATOM 1613 CA MET A 163 -1.682 -18.765 -10.034 1.00 0.00 C ATOM 1614 C MET A 163 -1.984 -17.374 -10.580 1.00 0.00 C ATOM 1615 O MET A 163 -2.330 -16.462 -9.830 1.00 0.00 O ATOM 1616 CB MET A 163 -2.096 -18.855 -8.563 1.00 0.01 C ATOM 1617 CG MET A 163 -2.141 -20.280 -8.035 0.50 0.80 C ATOM 1618 SD MET A 163 -3.102 -20.432 -6.517 0.50 0.84 S ATOM 1619 CE MET A 163 -3.203 -22.213 -6.357 0.50 1.00 C ATOM 0 H MET A 163 0.351 -18.267 -10.154 1.00 0.00 H new ATOM 0 HA MET A 163 -2.256 -19.493 -10.608 1.00 0.00 H new ATOM 0 HB2 MET A 163 -1.398 -18.274 -7.960 1.00 0.01 H new ATOM 0 HB3 MET A 163 -3.078 -18.399 -8.441 1.00 0.01 H new ATOM 0 HG2 MET A 163 -2.568 -20.932 -8.797 0.50 0.80 H new ATOM 0 HG3 MET A 163 -1.124 -20.627 -7.852 0.50 0.80 H new ATOM 0 HE1 MET A 163 -3.770 -22.466 -5.461 0.50 1.00 H new ATOM 0 HE2 MET A 163 -3.702 -22.629 -7.232 0.50 1.00 H new ATOM 0 HE3 MET A 163 -2.198 -22.629 -6.280 0.50 1.00 H new ATOM 1629 N GLN A 164 -1.846 -17.220 -11.893 1.00 0.00 N ATOM 1630 CA GLN A 164 -2.099 -15.941 -12.545 1.00 0.00 C ATOM 1631 C GLN A 164 -3.597 -15.662 -12.705 1.00 0.00 C ATOM 1632 O GLN A 164 -3.982 -14.595 -13.184 1.00 0.00 O ATOM 1633 CB GLN A 164 -1.416 -15.903 -13.914 1.00 0.00 C ATOM 1634 CG GLN A 164 -1.859 -17.016 -14.850 1.00 1.15 C ATOM 1635 CD GLN A 164 -1.675 -16.657 -16.312 1.00 1.35 C ATOM 1636 OE1 GLN A 164 -0.687 -17.042 -16.938 1.00 1.69 O ATOM 1637 NE2 GLN A 164 -2.627 -15.913 -16.863 1.00 2.13 N ATOM 0 H GLN A 164 -1.560 -17.966 -12.527 1.00 0.00 H new ATOM 0 HA GLN A 164 -1.684 -15.163 -11.905 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -1.620 -14.942 -14.385 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -0.337 -15.967 -13.774 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -1.292 -17.920 -14.628 1.00 1.15 H new ATOM 0 HG3 GLN A 164 -2.909 -17.245 -14.665 1.00 1.15 H new ATOM 0 HE21 GLN A 164 -3.429 -15.616 -16.306 1.00 2.13 H new ATOM 0 HE22 GLN A 164 -2.557 -15.638 -17.843 1.00 2.13 H new ATOM 1646 N VAL A 165 -4.443 -16.615 -12.310 1.00 0.00 N ATOM 1647 CA VAL A 165 -5.886 -16.437 -12.424 1.00 0.00 C ATOM 1648 C VAL A 165 -6.478 -15.716 -11.209 1.00 0.00 C ATOM 1649 O VAL A 165 -7.691 -15.515 -11.138 1.00 0.00 O ATOM 1650 CB VAL A 165 -6.603 -17.788 -12.600 1.00 0.00 C ATOM 1651 CG1 VAL A 165 -7.115 -18.302 -11.264 1.00 1.09 C ATOM 1652 CG2 VAL A 165 -7.742 -17.662 -13.602 1.00 1.09 C ATOM 0 H VAL A 165 -4.155 -17.509 -11.912 1.00 0.00 H new ATOM 0 HA VAL A 165 -6.046 -15.820 -13.308 1.00 0.00 H new ATOM 0 HB VAL A 165 -5.885 -18.510 -12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -7.618 -19.258 -11.411 1.00 1.09 H new ATOM 0 HG12 VAL A 165 -6.277 -18.435 -10.580 1.00 1.09 H new ATOM 0 HG13 VAL A 165 -7.817 -17.583 -10.842 1.00 1.09 H new ATOM 0 HG21 VAL A 165 -8.237 -18.627 -13.713 1.00 1.09 H new ATOM 0 HG22 VAL A 165 -8.461 -16.924 -13.245 1.00 1.09 H new ATOM 0 HG23 VAL A 165 -7.345 -17.345 -14.566 1.00 1.09 H new ATOM 1662 N LEU A 166 -5.631 -15.325 -10.254 1.00 0.00 N ATOM 1663 CA LEU A 166 -6.103 -14.629 -9.062 1.00 0.00 C ATOM 1664 C LEU A 166 -5.983 -13.119 -9.236 1.00 0.00 C ATOM 1665 O LEU A 166 -6.838 -12.363 -8.776 1.00 0.00 O ATOM 1666 CB LEU A 166 -5.313 -15.079 -7.832 1.00 0.00 C ATOM 1667 CG LEU A 166 -5.975 -16.182 -7.005 1.00 0.16 C ATOM 1668 CD1 LEU A 166 -5.445 -17.548 -7.415 1.00 1.17 C ATOM 1669 CD2 LEU A 166 -5.747 -15.944 -5.519 1.00 1.15 C ATOM 0 H LEU A 166 -4.623 -15.478 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.154 -14.880 -8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -4.333 -15.428 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -5.147 -14.214 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 166 -7.048 -16.159 -7.196 1.00 0.16 H new ATOM 0 HD11 LEU A 166 -5.927 -18.320 -6.816 1.00 1.17 H new ATOM 0 HD12 LEU A 166 -5.660 -17.720 -8.470 1.00 1.17 H new ATOM 0 HD13 LEU A 166 -4.368 -17.584 -7.254 1.00 1.17 H new ATOM 0 HD21 LEU A 166 -6.225 -16.738 -4.946 1.00 1.15 H new ATOM 0 HD22 LEU A 166 -4.677 -15.940 -5.311 1.00 1.15 H new ATOM 0 HD23 LEU A 166 -6.176 -14.983 -5.234 1.00 1.15 H new ATOM 1681 N VAL A 167 -4.919 -12.687 -9.906 1.00 0.00 N ATOM 1682 CA VAL A 167 -4.694 -11.266 -10.141 1.00 0.00 C ATOM 1683 C VAL A 167 -5.953 -10.601 -10.684 1.00 0.00 C ATOM 1684 O VAL A 167 -6.233 -9.440 -10.384 1.00 0.00 O ATOM 1685 CB VAL A 167 -3.536 -11.030 -11.128 1.00 0.01 C ATOM 1686 CG1 VAL A 167 -2.198 -11.094 -10.408 1.00 1.34 C ATOM 1687 CG2 VAL A 167 -3.587 -12.038 -12.267 1.00 1.34 C ATOM 0 H VAL A 167 -4.201 -13.299 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 167 -4.431 -10.823 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 167 -3.646 -10.033 -11.554 1.00 0.01 H new ATOM 0 HG11 VAL A 167 -1.392 -10.925 -11.122 1.00 1.34 H new ATOM 0 HG12 VAL A 167 -2.164 -10.327 -9.634 1.00 1.34 H new ATOM 0 HG13 VAL A 167 -2.077 -12.076 -9.951 1.00 1.34 H new ATOM 0 HG21 VAL A 167 -2.760 -11.854 -12.953 1.00 1.34 H new ATOM 0 HG22 VAL A 167 -3.506 -13.047 -11.864 1.00 1.34 H new ATOM 0 HG23 VAL A 167 -4.532 -11.936 -12.801 1.00 1.34 H new ATOM 1697 N SER A 168 -6.713 -11.348 -11.479 1.00 0.00 N ATOM 1698 CA SER A 168 -7.947 -10.835 -12.058 1.00 0.00 C ATOM 1699 C SER A 168 -8.974 -10.558 -10.967 1.00 0.00 C ATOM 1700 O SER A 168 -9.750 -9.606 -11.055 1.00 0.00 O ATOM 1701 CB SER A 168 -8.514 -11.832 -13.071 1.00 0.00 C ATOM 1702 OG SER A 168 -7.484 -12.393 -13.866 1.00 1.23 O ATOM 0 H SER A 168 -6.495 -12.311 -11.736 1.00 0.00 H new ATOM 0 HA SER A 168 -7.723 -9.900 -12.572 1.00 0.00 H new ATOM 0 HB2 SER A 168 -9.046 -12.626 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.240 -11.331 -13.711 1.00 0.00 H new ATOM 0 HG SER A 168 -7.872 -13.028 -14.504 1.00 1.23 H new ATOM 1708 N ARG A 169 -8.967 -11.393 -9.932 1.00 0.00 N ATOM 1709 CA ARG A 169 -9.892 -11.236 -8.817 1.00 0.00 C ATOM 1710 C ARG A 169 -9.405 -10.148 -7.867 1.00 0.00 C ATOM 1711 O ARG A 169 -10.190 -9.326 -7.394 1.00 0.00 O ATOM 1712 CB ARG A 169 -10.048 -12.557 -8.062 1.00 0.00 C ATOM 1713 CG ARG A 169 -10.592 -13.689 -8.919 1.00 0.98 C ATOM 1714 CD ARG A 169 -11.057 -14.858 -8.067 1.00 0.94 C ATOM 1715 NE ARG A 169 -12.284 -14.548 -7.336 1.00 1.54 N ATOM 1716 CZ ARG A 169 -13.037 -15.462 -6.727 1.00 1.90 C ATOM 1717 NH1 ARG A 169 -12.697 -16.746 -6.755 1.00 2.09 N ATOM 1718 NH2 ARG A 169 -14.136 -15.090 -6.084 1.00 2.78 N ATOM 0 H ARG A 169 -8.330 -12.185 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 169 -10.862 -10.943 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -9.079 -12.852 -7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.714 -12.404 -7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -11.423 -13.323 -9.522 1.00 0.98 H new ATOM 0 HG3 ARG A 169 -9.820 -14.026 -9.611 1.00 0.98 H new ATOM 0 HD2 ARG A 169 -11.224 -15.727 -8.704 1.00 0.94 H new ATOM 0 HD3 ARG A 169 -10.272 -15.127 -7.360 1.00 0.94 H new ATOM 0 HE ARG A 169 -12.581 -13.573 -7.290 1.00 1.54 H new ATOM 0 HH11 ARG A 169 -11.852 -17.039 -7.246 1.00 2.09 H new ATOM 0 HH12 ARG A 169 -13.280 -17.438 -6.285 1.00 2.09 H new ATOM 0 HH21 ARG A 169 -14.403 -14.106 -6.057 1.00 2.78 H new ATOM 0 HH22 ARG A 169 -14.715 -15.788 -5.617 1.00 2.78 H new ATOM 1732 N ILE A 170 -8.104 -10.147 -7.596 1.00 0.00 N ATOM 1733 CA ILE A 170 -7.511 -9.157 -6.707 1.00 0.00 C ATOM 1734 C ILE A 170 -7.761 -7.746 -7.226 1.00 0.00 C ATOM 1735 O ILE A 170 -8.060 -6.834 -6.456 1.00 0.00 O ATOM 1736 CB ILE A 170 -5.994 -9.374 -6.552 1.00 0.00 C ATOM 1737 CG1 ILE A 170 -5.713 -10.387 -5.440 1.00 0.60 C ATOM 1738 CG2 ILE A 170 -5.298 -8.053 -6.261 1.00 0.59 C ATOM 1739 CD1 ILE A 170 -4.469 -11.216 -5.677 1.00 1.28 C ATOM 0 H ILE A 170 -7.441 -10.821 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 170 -7.985 -9.278 -5.733 1.00 0.00 H new ATOM 0 HB ILE A 170 -5.601 -9.772 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -5.611 -9.856 -4.493 1.00 0.60 H new ATOM 0 HG13 ILE A 170 -6.570 -11.053 -5.341 1.00 0.60 H new ATOM 0 HG21 ILE A 170 -4.227 -8.222 -6.154 1.00 0.59 H new ATOM 0 HG22 ILE A 170 -5.476 -7.359 -7.083 1.00 0.59 H new ATOM 0 HG23 ILE A 170 -5.693 -7.630 -5.337 1.00 0.59 H new ATOM 0 HD11 ILE A 170 -4.332 -11.912 -4.849 1.00 1.28 H new ATOM 0 HD12 ILE A 170 -4.576 -11.775 -6.607 1.00 1.28 H new ATOM 0 HD13 ILE A 170 -3.602 -10.559 -5.746 1.00 1.28 H new ATOM 1751 N ALA A 171 -7.639 -7.575 -8.539 1.00 0.00 N ATOM 1752 CA ALA A 171 -7.857 -6.278 -9.164 1.00 0.00 C ATOM 1753 C ALA A 171 -9.283 -5.796 -8.926 1.00 0.00 C ATOM 1754 O ALA A 171 -9.517 -4.612 -8.681 1.00 0.00 O ATOM 1755 CB ALA A 171 -7.562 -6.352 -10.654 1.00 0.00 C ATOM 0 H ALA A 171 -7.390 -8.320 -9.190 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.175 -5.560 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.730 -5.375 -11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -6.524 -6.649 -10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.221 -7.085 -11.119 1.00 0.00 H new ATOM 1761 N ALA A 172 -10.231 -6.725 -8.995 1.00 0.00 N ATOM 1762 CA ALA A 172 -11.636 -6.399 -8.783 1.00 0.00 C ATOM 1763 C ALA A 172 -11.890 -6.019 -7.329 1.00 0.00 C ATOM 1764 O ALA A 172 -12.577 -5.038 -7.044 1.00 0.00 O ATOM 1765 CB ALA A 172 -12.516 -7.572 -9.187 1.00 0.00 C ATOM 0 H ALA A 172 -10.052 -7.709 -9.196 1.00 0.00 H new ATOM 0 HA ALA A 172 -11.887 -5.542 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -13.563 -7.315 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -12.358 -7.799 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -12.258 -8.444 -8.586 1.00 0.00 H new ATOM 1771 N TRP A 173 -11.328 -6.802 -6.411 1.00 0.00 N ATOM 1772 CA TRP A 173 -11.491 -6.543 -4.986 1.00 0.00 C ATOM 1773 C TRP A 173 -11.036 -5.129 -4.641 1.00 0.00 C ATOM 1774 O TRP A 173 -11.689 -4.425 -3.870 1.00 0.00 O ATOM 1775 CB TRP A 173 -10.697 -7.560 -4.164 1.00 0.01 C ATOM 1776 CG TRP A 173 -11.347 -8.909 -4.099 1.00 0.11 C ATOM 1777 CD1 TRP A 173 -12.445 -9.323 -4.794 1.00 0.41 C ATOM 1778 CD2 TRP A 173 -10.939 -10.018 -3.290 1.00 0.31 C ATOM 1779 NE1 TRP A 173 -12.746 -10.624 -4.469 1.00 0.39 N ATOM 1780 CE2 TRP A 173 -11.836 -11.073 -3.548 1.00 0.27 C ATOM 1781 CE3 TRP A 173 -9.903 -10.225 -2.374 1.00 0.67 C ATOM 1782 CZ2 TRP A 173 -11.727 -12.313 -2.924 1.00 0.45 C ATOM 1783 CZ3 TRP A 173 -9.796 -11.456 -1.756 1.00 0.90 C ATOM 1784 CH2 TRP A 173 -10.704 -12.487 -2.033 1.00 0.76 C ATOM 0 H TRP A 173 -10.757 -7.619 -6.630 1.00 0.00 H new ATOM 0 HA TRP A 173 -12.549 -6.640 -4.742 1.00 0.00 H new ATOM 0 HB2 TRP A 173 -9.701 -7.665 -4.594 1.00 0.01 H new ATOM 0 HB3 TRP A 173 -10.569 -7.177 -3.151 1.00 0.01 H new ATOM 0 HD1 TRP A 173 -12.997 -8.717 -5.497 1.00 0.41 H new ATOM 0 HE1 TRP A 173 -13.520 -11.167 -4.851 1.00 0.39 H new ATOM 0 HE3 TRP A 173 -9.199 -9.436 -2.153 1.00 0.67 H new ATOM 0 HZ2 TRP A 173 -12.425 -13.109 -3.136 1.00 0.45 H new ATOM 0 HZ3 TRP A 173 -8.999 -11.627 -1.047 1.00 0.90 H new ATOM 0 HH2 TRP A 173 -10.594 -13.438 -1.533 1.00 0.76 H new ATOM 1795 N MET A 174 -9.913 -4.719 -5.222 1.00 0.00 N ATOM 1796 CA MET A 174 -9.370 -3.389 -4.982 1.00 0.00 C ATOM 1797 C MET A 174 -10.312 -2.318 -5.524 1.00 0.00 C ATOM 1798 O MET A 174 -10.472 -1.256 -4.923 1.00 0.00 O ATOM 1799 CB MET A 174 -7.993 -3.249 -5.633 1.00 0.00 C ATOM 1800 CG MET A 174 -6.908 -4.061 -4.943 1.00 0.29 C ATOM 1801 SD MET A 174 -5.395 -4.168 -5.917 1.00 1.05 S ATOM 1802 CE MET A 174 -4.650 -2.577 -5.563 1.00 1.21 C ATOM 0 H MET A 174 -9.362 -5.290 -5.863 1.00 0.00 H new ATOM 0 HA MET A 174 -9.268 -3.253 -3.905 1.00 0.00 H new ATOM 0 HB2 MET A 174 -8.060 -3.560 -6.676 1.00 0.00 H new ATOM 0 HB3 MET A 174 -7.705 -2.198 -5.632 1.00 0.00 H new ATOM 0 HG2 MET A 174 -6.682 -3.611 -3.976 1.00 0.29 H new ATOM 0 HG3 MET A 174 -7.281 -5.066 -4.747 1.00 0.29 H new ATOM 0 HE1 MET A 174 -3.703 -2.492 -6.096 1.00 1.21 H new ATOM 0 HE2 MET A 174 -5.321 -1.781 -5.886 1.00 1.21 H new ATOM 0 HE3 MET A 174 -4.473 -2.489 -4.491 1.00 1.21 H new ATOM 1812 N ALA A 175 -10.934 -2.608 -6.661 1.00 0.00 N ATOM 1813 CA ALA A 175 -11.864 -1.673 -7.283 1.00 0.00 C ATOM 1814 C ALA A 175 -13.070 -1.427 -6.385 1.00 0.00 C ATOM 1815 O ALA A 175 -13.492 -0.287 -6.194 1.00 0.00 O ATOM 1816 CB ALA A 175 -12.312 -2.199 -8.640 1.00 0.00 C ATOM 0 H ALA A 175 -10.811 -3.483 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 175 -11.349 -0.723 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -13.006 -1.491 -9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -11.444 -2.321 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -12.807 -3.161 -8.512 1.00 0.00 H new ATOM 1822 N THR A 176 -13.619 -2.505 -5.833 1.00 0.00 N ATOM 1823 CA THR A 176 -14.775 -2.407 -4.951 1.00 0.00 C ATOM 1824 C THR A 176 -14.430 -1.630 -3.686 1.00 0.00 C ATOM 1825 O THR A 176 -15.173 -0.744 -3.267 1.00 0.00 O ATOM 1826 CB THR A 176 -15.300 -3.800 -4.558 1.00 0.00 C ATOM 1827 OG1 THR A 176 -14.562 -4.816 -5.249 1.00 0.88 O ATOM 1828 CG2 THR A 176 -16.781 -3.932 -4.883 1.00 0.93 C ATOM 0 H THR A 176 -13.281 -3.456 -5.982 1.00 0.00 H new ATOM 0 HA THR A 176 -15.553 -1.877 -5.501 1.00 0.00 H new ATOM 0 HB THR A 176 -15.168 -3.923 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 176 -14.901 -5.699 -4.992 1.00 0.88 H new ATOM 0 HG21 THR A 176 -17.129 -4.924 -4.597 1.00 0.93 H new ATOM 0 HG22 THR A 176 -17.343 -3.177 -4.333 1.00 0.93 H new ATOM 0 HG23 THR A 176 -16.933 -3.789 -5.953 1.00 0.93 H new ATOM 1836 N TYR A 177 -13.293 -1.968 -3.083 1.00 0.00 N ATOM 1837 CA TYR A 177 -12.846 -1.300 -1.868 1.00 0.00 C ATOM 1838 C TYR A 177 -12.578 0.179 -2.132 1.00 0.00 C ATOM 1839 O TYR A 177 -12.767 1.021 -1.256 1.00 0.00 O ATOM 1840 CB TYR A 177 -11.582 -1.971 -1.327 1.00 0.00 C ATOM 1841 CG TYR A 177 -11.145 -1.445 0.022 1.00 0.31 C ATOM 1842 CD1 TYR A 177 -11.763 -1.874 1.190 1.00 0.87 C ATOM 1843 CD2 TYR A 177 -10.114 -0.519 0.126 1.00 1.14 C ATOM 1844 CE1 TYR A 177 -11.365 -1.395 2.424 1.00 0.97 C ATOM 1845 CE2 TYR A 177 -9.710 -0.037 1.357 1.00 1.35 C ATOM 1846 CZ TYR A 177 -10.338 -0.477 2.502 1.00 0.89 C ATOM 1847 OH TYR A 177 -9.940 0.001 3.729 1.00 1.17 O ATOM 0 H TYR A 177 -12.666 -2.700 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 177 -13.638 -1.382 -1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 177 -11.756 -3.044 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 177 -10.772 -1.830 -2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 177 -12.567 -2.593 1.133 1.00 0.87 H new ATOM 0 HD2 TYR A 177 -9.621 -0.170 -0.769 1.00 1.14 H new ATOM 0 HE1 TYR A 177 -11.856 -1.738 3.323 1.00 0.97 H new ATOM 0 HE2 TYR A 177 -8.906 0.681 1.421 1.00 1.35 H new ATOM 0 HH TYR A 177 -9.309 0.740 3.603 1.00 1.17 H new ATOM 1857 N LEU A 178 -12.139 0.485 -3.349 1.00 0.00 N ATOM 1858 CA LEU A 178 -11.849 1.861 -3.733 1.00 0.00 C ATOM 1859 C LEU A 178 -13.138 2.640 -3.972 1.00 0.00 C ATOM 1860 O LEU A 178 -13.208 3.840 -3.704 1.00 0.00 O ATOM 1861 CB LEU A 178 -10.982 1.888 -4.995 1.00 0.00 C ATOM 1862 CG LEU A 178 -9.503 2.196 -4.759 1.00 0.77 C ATOM 1863 CD1 LEU A 178 -8.665 1.719 -5.935 1.00 1.49 C ATOM 1864 CD2 LEU A 178 -9.300 3.686 -4.527 1.00 1.15 C ATOM 0 H LEU A 178 -11.977 -0.202 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 178 -11.305 2.334 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -11.061 0.921 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -11.388 2.633 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 178 -9.177 1.662 -3.867 1.00 0.77 H new ATOM 0 HD11 LEU A 178 -7.615 1.946 -5.750 1.00 1.49 H new ATOM 0 HD12 LEU A 178 -8.787 0.643 -6.056 1.00 1.49 H new ATOM 0 HD13 LEU A 178 -8.991 2.226 -6.843 1.00 1.49 H new ATOM 0 HD21 LEU A 178 -8.242 3.887 -4.361 1.00 1.15 H new ATOM 0 HD22 LEU A 178 -9.642 4.240 -5.401 1.00 1.15 H new ATOM 0 HD23 LEU A 178 -9.871 3.999 -3.653 1.00 1.15 H new ATOM 1876 N ASN A 179 -14.155 1.951 -4.477 1.00 0.00 N ATOM 1877 CA ASN A 179 -15.442 2.578 -4.752 1.00 0.00 C ATOM 1878 C ASN A 179 -16.439 2.289 -3.634 1.00 0.00 C ATOM 1879 O ASN A 179 -17.625 2.076 -3.885 1.00 0.00 O ATOM 1880 CB ASN A 179 -16.002 2.086 -6.087 1.00 0.02 C ATOM 1881 CG ASN A 179 -17.216 2.878 -6.532 0.50 1.29 C ATOM 1882 OD1 ASN A 179 -18.354 2.472 -6.301 0.50 2.11 O ATOM 1883 ND2 ASN A 179 -16.977 4.017 -7.172 0.50 1.93 N ATOM 0 H ASN A 179 -14.113 0.958 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 179 -15.285 3.655 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -15.227 2.155 -6.850 1.00 0.02 H new ATOM 0 HB3 ASN A 179 -16.271 1.033 -5.999 1.00 0.02 H new ATOM 0 HD21 ASN A 179 -17.754 4.594 -7.494 0.50 1.93 H new ATOM 0 HD22 ASN A 179 -16.016 4.315 -7.342 0.50 1.93 H new ATOM 1890 N ASP A 180 -15.948 2.284 -2.400 1.00 0.00 N ATOM 1891 CA ASP A 180 -16.793 2.022 -1.240 1.00 0.00 C ATOM 1892 C ASP A 180 -15.987 2.140 0.050 1.00 0.00 C ATOM 1893 O ASP A 180 -16.170 1.358 0.983 1.00 0.00 O ATOM 1894 CB ASP A 180 -17.416 0.628 -1.340 1.00 0.00 C ATOM 1895 CG ASP A 180 -18.863 0.608 -0.888 1.00 0.51 C ATOM 1896 OD1 ASP A 180 -19.104 0.682 0.335 1.00 1.23 O ATOM 1897 OD2 ASP A 180 -19.756 0.519 -1.757 1.00 1.18 O ATOM 0 H ASP A 180 -14.968 2.459 -2.177 1.00 0.00 H new ATOM 0 HA ASP A 180 -17.590 2.766 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -17.355 0.279 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -16.839 -0.069 -0.733 1.00 0.00 H new ATOM 1902 N HIS A 181 -15.094 3.124 0.093 1.00 0.00 N ATOM 1903 CA HIS A 181 -14.256 3.350 1.267 1.00 0.00 C ATOM 1904 C HIS A 181 -13.253 4.473 1.016 1.00 0.00 C ATOM 1905 O HIS A 181 -12.936 5.247 1.919 1.00 0.00 O ATOM 1906 CB HIS A 181 -13.509 2.069 1.647 1.00 0.00 C ATOM 1907 CG HIS A 181 -13.593 1.739 3.104 1.00 0.25 C ATOM 1908 ND1 HIS A 181 -13.626 2.700 4.094 1.00 1.30 N ATOM 1909 CD2 HIS A 181 -13.650 0.546 3.740 1.00 1.00 C ATOM 1910 CE1 HIS A 181 -13.699 2.111 5.274 1.00 1.14 C ATOM 1911 NE2 HIS A 181 -13.717 0.804 5.086 1.00 0.67 N ATOM 0 H HIS A 181 -14.932 3.779 -0.672 1.00 0.00 H new ATOM 0 HA HIS A 181 -14.908 3.642 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 181 -13.914 1.237 1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 181 -12.461 2.172 1.366 1.00 0.00 H new ATOM 0 HD2 HIS A 181 -13.644 -0.429 3.275 1.00 1.00 H new ATOM 0 HE1 HIS A 181 -13.737 2.613 6.230 1.00 1.14 H new ATOM 0 HE2 HIS A 181 -13.772 0.100 5.822 1.00 0.67 H new ATOM 1920 N LEU A 182 -12.749 4.547 -0.211 1.00 0.00 N ATOM 1921 CA LEU A 182 -11.774 5.568 -0.576 1.00 0.00 C ATOM 1922 C LEU A 182 -12.388 6.614 -1.501 1.00 0.00 C ATOM 1923 O LEU A 182 -12.048 7.795 -1.430 1.00 0.00 O ATOM 1924 CB LEU A 182 -10.565 4.917 -1.246 1.00 0.01 C ATOM 1925 CG LEU A 182 -9.632 4.164 -0.297 1.00 0.91 C ATOM 1926 CD1 LEU A 182 -8.957 3.005 -1.016 1.00 2.17 C ATOM 1927 CD2 LEU A 182 -8.595 5.109 0.287 1.00 1.54 C ATOM 0 H LEU A 182 -12.999 3.912 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 182 -11.453 6.073 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 182 -10.920 4.224 -2.009 1.00 0.01 H new ATOM 0 HB3 LEU A 182 -9.992 5.690 -1.759 1.00 0.01 H new ATOM 0 HG LEU A 182 -10.227 3.757 0.521 1.00 0.91 H new ATOM 0 HD11 LEU A 182 -8.297 2.482 -0.324 1.00 2.17 H new ATOM 0 HD12 LEU A 182 -9.715 2.315 -1.386 1.00 2.17 H new ATOM 0 HD13 LEU A 182 -8.374 3.387 -1.854 1.00 2.17 H new ATOM 0 HD21 LEU A 182 -7.939 4.558 0.960 1.00 1.54 H new ATOM 0 HD22 LEU A 182 -8.005 5.545 -0.519 1.00 1.54 H new ATOM 0 HD23 LEU A 182 -9.097 5.903 0.839 1.00 1.54 H new ATOM 1939 N GLU A 183 -13.293 6.176 -2.370 1.00 0.00 N ATOM 1940 CA GLU A 183 -13.952 7.079 -3.308 1.00 0.00 C ATOM 1941 C GLU A 183 -14.600 8.261 -2.583 1.00 0.00 C ATOM 1942 O GLU A 183 -14.397 9.412 -2.968 1.00 0.00 O ATOM 1943 CB GLU A 183 -14.991 6.322 -4.141 1.00 0.01 C ATOM 1944 CG GLU A 183 -16.193 7.164 -4.546 1.00 0.10 C ATOM 1945 CD GLU A 183 -17.284 7.174 -3.493 1.00 1.31 C ATOM 1946 OE1 GLU A 183 -17.758 6.080 -3.118 1.00 2.26 O ATOM 1947 OE2 GLU A 183 -17.667 8.274 -3.043 1.00 1.75 O ATOM 0 H GLU A 183 -13.587 5.202 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 183 -13.191 7.478 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 183 -14.510 5.937 -5.040 1.00 0.01 H new ATOM 0 HB3 GLU A 183 -15.339 5.460 -3.572 1.00 0.01 H new ATOM 0 HG2 GLU A 183 -15.867 8.187 -4.735 1.00 0.10 H new ATOM 0 HG3 GLU A 183 -16.601 6.781 -5.482 1.00 0.10 H new ATOM 1954 N PRO A 184 -15.387 8.002 -1.523 1.00 0.00 N ATOM 1955 CA PRO A 184 -16.051 9.067 -0.761 1.00 0.00 C ATOM 1956 C PRO A 184 -15.060 10.077 -0.193 1.00 0.00 C ATOM 1957 O PRO A 184 -15.358 11.267 -0.096 1.00 0.00 O ATOM 1958 CB PRO A 184 -16.755 8.319 0.376 1.00 0.00 C ATOM 1959 CG PRO A 184 -16.895 6.920 -0.113 1.00 0.00 C ATOM 1960 CD PRO A 184 -15.694 6.666 -0.981 1.00 0.00 C ATOM 0 HA PRO A 184 -16.728 9.647 -1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -16.172 8.359 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -17.727 8.760 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -16.931 6.217 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -17.819 6.794 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -14.860 6.262 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -15.913 5.950 -1.773 1.00 0.00 H new ATOM 1968 N TRP A 185 -13.881 9.594 0.184 1.00 0.00 N ATOM 1969 CA TRP A 185 -12.848 10.455 0.747 1.00 0.00 C ATOM 1970 C TRP A 185 -12.107 11.213 -0.351 1.00 0.00 C ATOM 1971 O TRP A 185 -12.000 12.438 -0.308 1.00 0.00 O ATOM 1972 CB TRP A 185 -11.860 9.629 1.568 1.00 0.00 C ATOM 1973 CG TRP A 185 -12.112 9.698 3.044 1.00 0.61 C ATOM 1974 CD1 TRP A 185 -12.435 8.660 3.868 1.00 1.73 C ATOM 1975 CD2 TRP A 185 -12.062 10.867 3.869 1.00 0.78 C ATOM 1976 NE1 TRP A 185 -12.590 9.112 5.157 1.00 1.94 N ATOM 1977 CE2 TRP A 185 -12.366 10.464 5.183 1.00 1.18 C ATOM 1978 CE3 TRP A 185 -11.790 12.216 3.624 1.00 1.73 C ATOM 1979 CZ2 TRP A 185 -12.404 11.362 6.248 1.00 1.42 C ATOM 1980 CZ3 TRP A 185 -11.829 13.106 4.681 1.00 2.26 C ATOM 1981 CH2 TRP A 185 -12.133 12.676 5.979 1.00 1.84 C ATOM 0 H TRP A 185 -13.617 8.611 0.110 1.00 0.00 H new ATOM 0 HA TRP A 185 -13.334 11.182 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 185 -11.911 8.589 1.246 1.00 0.00 H new ATOM 0 HB3 TRP A 185 -10.848 9.977 1.363 1.00 0.00 H new ATOM 0 HD1 TRP A 185 -12.552 7.633 3.554 1.00 1.73 H new ATOM 0 HE1 TRP A 185 -12.832 8.535 5.963 1.00 1.94 H new ATOM 0 HE3 TRP A 185 -11.554 12.557 2.627 1.00 1.73 H new ATOM 0 HZ2 TRP A 185 -12.639 11.033 7.249 1.00 1.42 H new ATOM 0 HZ3 TRP A 185 -11.622 14.151 4.503 1.00 2.26 H new ATOM 0 HH2 TRP A 185 -12.154 13.396 6.784 1.00 1.84 H new ATOM 1992 N ILE A 186 -11.597 10.476 -1.332 1.00 0.00 N ATOM 1993 CA ILE A 186 -10.867 11.082 -2.438 1.00 0.00 C ATOM 1994 C ILE A 186 -11.645 12.250 -3.036 1.00 0.00 C ATOM 1995 O ILE A 186 -11.061 13.249 -3.457 1.00 0.00 O ATOM 1996 CB ILE A 186 -10.573 10.056 -3.550 1.00 0.01 C ATOM 1997 CG1 ILE A 186 -9.192 9.429 -3.346 1.00 0.58 C ATOM 1998 CG2 ILE A 186 -10.660 10.717 -4.917 1.00 0.58 C ATOM 1999 CD1 ILE A 186 -9.186 7.921 -3.479 1.00 1.21 C ATOM 0 H ILE A 186 -11.676 9.460 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 186 -9.924 11.445 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 186 -11.322 9.266 -3.500 1.00 0.01 H new ATOM 0 HG12 ILE A 186 -8.499 9.852 -4.073 1.00 0.58 H new ATOM 0 HG13 ILE A 186 -8.822 9.700 -2.357 1.00 0.58 H new ATOM 0 HG21 ILE A 186 -10.450 9.980 -5.692 1.00 0.58 H new ATOM 0 HG22 ILE A 186 -11.662 11.121 -5.063 1.00 0.58 H new ATOM 0 HG23 ILE A 186 -9.931 11.525 -4.978 1.00 0.58 H new ATOM 0 HD11 ILE A 186 -8.175 7.546 -3.322 1.00 1.21 H new ATOM 0 HD12 ILE A 186 -9.853 7.487 -2.734 1.00 1.21 H new ATOM 0 HD13 ILE A 186 -9.526 7.642 -4.477 1.00 1.21 H new ATOM 2011 N GLN A 187 -12.966 12.117 -3.072 1.00 0.00 N ATOM 2012 CA GLN A 187 -13.826 13.159 -3.621 1.00 0.00 C ATOM 2013 C GLN A 187 -13.843 14.392 -2.721 1.00 0.00 C ATOM 2014 O GLN A 187 -14.029 15.513 -3.193 1.00 0.00 O ATOM 2015 CB GLN A 187 -15.250 12.630 -3.804 1.00 0.00 C ATOM 2016 CG GLN A 187 -16.254 13.703 -4.191 1.00 0.90 C ATOM 2017 CD GLN A 187 -17.572 13.125 -4.668 1.00 1.34 C ATOM 2018 OE1 GLN A 187 -18.516 12.976 -3.892 1.00 1.90 O ATOM 2019 NE2 GLN A 187 -17.642 12.796 -5.953 1.00 2.09 N ATOM 0 H GLN A 187 -13.465 11.297 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 187 -13.422 13.449 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 187 -15.245 11.856 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 187 -15.575 12.158 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 187 -16.435 14.352 -3.334 1.00 0.90 H new ATOM 0 HG3 GLN A 187 -15.829 14.326 -4.978 1.00 0.90 H new ATOM 0 HE21 GLN A 187 -16.835 12.937 -6.560 1.00 2.09 H new ATOM 0 HE22 GLN A 187 -18.503 12.403 -6.333 1.00 2.09 H new ATOM 2028 N GLU A 188 -13.649 14.178 -1.421 1.00 0.00 N ATOM 2029 CA GLU A 188 -13.645 15.275 -0.459 1.00 0.00 C ATOM 2030 C GLU A 188 -12.219 15.722 -0.142 1.00 0.00 C ATOM 2031 O GLU A 188 -11.935 16.194 0.960 1.00 0.00 O ATOM 2032 CB GLU A 188 -14.362 14.852 0.826 1.00 0.00 C ATOM 2033 CG GLU A 188 -15.751 15.452 0.973 1.00 0.93 C ATOM 2034 CD GLU A 188 -16.054 15.875 2.397 1.00 1.40 C ATOM 2035 OE1 GLU A 188 -15.246 16.632 2.975 1.00 2.16 O ATOM 2036 OE2 GLU A 188 -17.098 15.448 2.933 1.00 1.85 O ATOM 0 H GLU A 188 -13.493 13.257 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 188 -14.175 16.118 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -14.441 13.765 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -13.756 15.145 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -15.842 16.315 0.314 1.00 0.93 H new ATOM 0 HG3 GLU A 188 -16.494 14.724 0.648 1.00 0.93 H new ATOM 2043 N ASN A 189 -11.324 15.573 -1.114 1.00 0.00 N ATOM 2044 CA ASN A 189 -9.931 15.963 -0.935 1.00 0.00 C ATOM 2045 C ASN A 189 -9.342 16.498 -2.238 1.00 0.00 C ATOM 2046 O ASN A 189 -8.140 16.388 -2.477 1.00 0.00 O ATOM 2047 CB ASN A 189 -9.108 14.774 -0.440 1.00 0.00 C ATOM 2048 CG ASN A 189 -8.225 15.129 0.741 1.00 0.34 C ATOM 2049 OD1 ASN A 189 -7.003 15.202 0.617 1.00 1.05 O ATOM 2050 ND2 ASN A 189 -8.843 15.351 1.896 1.00 1.35 N ATOM 0 H ASN A 189 -11.539 15.185 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 189 -9.895 16.757 -0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -9.780 13.964 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -8.487 14.402 -1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -8.302 15.593 2.726 1.00 1.35 H new ATOM 0 HD22 ASN A 189 -9.859 15.279 1.953 1.00 1.35 H new ATOM 2057 N GLY A 190 -10.193 17.077 -3.078 1.00 0.00 N ATOM 2058 CA GLY A 190 -9.734 17.618 -4.344 1.00 0.00 C ATOM 2059 C GLY A 190 -9.423 16.535 -5.360 1.00 0.00 C ATOM 2060 O GLY A 190 -8.528 16.694 -6.192 1.00 0.00 O ATOM 0 H GLY A 190 -11.193 17.181 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 190 -10.496 18.283 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 190 -8.842 18.221 -4.176 1.00 0.00 H new ATOM 2064 N GLY A 191 -10.164 15.434 -5.295 1.00 0.00 N ATOM 2065 CA GLY A 191 -9.951 14.337 -6.223 1.00 0.00 C ATOM 2066 C GLY A 191 -8.496 13.913 -6.301 1.00 0.00 C ATOM 2067 O GLY A 191 -7.701 14.233 -5.419 1.00 0.00 O ATOM 0 H GLY A 191 -10.909 15.281 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -10.558 13.485 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -10.293 14.633 -7.215 1.00 0.00 H new ATOM 2071 N TRP A 192 -8.151 13.189 -7.362 1.00 0.00 N ATOM 2072 CA TRP A 192 -6.784 12.717 -7.557 1.00 0.00 C ATOM 2073 C TRP A 192 -5.867 13.856 -7.994 1.00 0.00 C ATOM 2074 O TRP A 192 -4.670 13.845 -7.708 1.00 0.00 O ATOM 2075 CB TRP A 192 -6.752 11.598 -8.599 1.00 0.00 C ATOM 2076 CG TRP A 192 -7.793 10.543 -8.374 1.00 0.96 C ATOM 2077 CD1 TRP A 192 -7.797 9.595 -7.392 1.00 1.66 C ATOM 2078 CD2 TRP A 192 -8.978 10.325 -9.148 1.00 1.67 C ATOM 2079 NE1 TRP A 192 -8.913 8.802 -7.507 1.00 2.37 N ATOM 2080 CE2 TRP A 192 -9.653 9.231 -8.577 1.00 2.39 C ATOM 2081 CE3 TRP A 192 -9.534 10.951 -10.267 1.00 2.11 C ATOM 2082 CZ2 TRP A 192 -10.856 8.749 -9.088 1.00 3.19 C ATOM 2083 CZ3 TRP A 192 -10.728 10.471 -10.774 1.00 2.98 C ATOM 2084 CH2 TRP A 192 -11.377 9.380 -10.184 1.00 3.42 C ATOM 0 H TRP A 192 -8.800 12.916 -8.100 1.00 0.00 H new ATOM 0 HA TRP A 192 -6.424 12.331 -6.604 1.00 0.00 H new ATOM 0 HB2 TRP A 192 -6.892 12.030 -9.590 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -5.766 11.133 -8.591 1.00 0.00 H new ATOM 0 HD1 TRP A 192 -7.034 9.484 -6.635 1.00 1.66 H new ATOM 0 HE1 TRP A 192 -9.152 8.021 -6.895 1.00 2.37 H new ATOM 0 HE3 TRP A 192 -9.040 11.794 -10.727 1.00 2.11 H new ATOM 0 HZ2 TRP A 192 -11.359 7.907 -8.635 1.00 3.19 H new ATOM 0 HZ3 TRP A 192 -11.167 10.946 -11.639 1.00 2.98 H new ATOM 0 HH2 TRP A 192 -12.309 9.029 -10.603 1.00 3.42 H new ATOM 2095 N ASP A 193 -6.437 14.836 -8.691 1.00 0.00 N ATOM 2096 CA ASP A 193 -5.673 15.982 -9.172 1.00 0.00 C ATOM 2097 C ASP A 193 -4.782 16.553 -8.075 1.00 0.00 C ATOM 2098 O ASP A 193 -3.688 17.049 -8.346 1.00 0.00 O ATOM 2099 CB ASP A 193 -6.648 17.047 -9.739 1.00 0.00 C ATOM 2100 CG ASP A 193 -6.014 18.253 -10.448 1.00 0.00 C ATOM 2101 OD1 ASP A 193 -6.433 19.395 -10.324 1.00 0.00 O ATOM 2102 OD2 ASP A 193 -4.927 17.913 -11.203 1.00 0.00 O ATOM 0 H ASP A 193 -7.427 14.858 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 193 -5.008 15.659 -9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 193 -7.320 16.554 -10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 193 -7.261 17.418 -8.918 1.00 0.00 H new ATOM 2108 N THR A 194 -5.255 16.480 -6.836 1.00 0.00 N ATOM 2109 CA THR A 194 -4.499 16.989 -5.700 1.00 0.00 C ATOM 2110 C THR A 194 -3.316 16.081 -5.378 1.00 0.00 C ATOM 2111 O THR A 194 -2.234 16.554 -5.031 1.00 0.00 O ATOM 2112 CB THR A 194 -5.385 17.120 -4.448 1.00 0.00 C ATOM 2113 OG1 THR A 194 -6.546 17.904 -4.748 1.00 0.83 O ATOM 2114 CG2 THR A 194 -4.614 17.764 -3.306 1.00 0.88 C ATOM 0 H THR A 194 -6.158 16.073 -6.594 1.00 0.00 H new ATOM 0 HA THR A 194 -4.132 17.976 -5.981 1.00 0.00 H new ATOM 0 HB THR A 194 -5.692 16.120 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 194 -7.120 17.413 -5.372 1.00 0.83 H new ATOM 0 HG21 THR A 194 -5.260 17.846 -2.432 1.00 0.88 H new ATOM 0 HG22 THR A 194 -3.747 17.150 -3.060 1.00 0.88 H new ATOM 0 HG23 THR A 194 -4.281 18.758 -3.606 1.00 0.88 H new ATOM 2122 N PHE A 195 -3.531 14.775 -5.495 1.00 0.00 N ATOM 2123 CA PHE A 195 -2.484 13.799 -5.216 1.00 0.00 C ATOM 2124 C PHE A 195 -1.301 13.983 -6.161 1.00 0.00 C ATOM 2125 O PHE A 195 -0.148 13.804 -5.769 1.00 0.00 O ATOM 2126 CB PHE A 195 -3.038 12.378 -5.344 1.00 0.00 C ATOM 2127 CG PHE A 195 -1.972 11.322 -5.418 1.00 0.07 C ATOM 2128 CD1 PHE A 195 -1.399 10.813 -4.263 1.00 0.92 C ATOM 2129 CD2 PHE A 195 -1.543 10.836 -6.643 1.00 0.91 C ATOM 2130 CE1 PHE A 195 -0.418 9.841 -4.329 1.00 0.94 C ATOM 2131 CE2 PHE A 195 -0.564 9.865 -6.715 1.00 0.92 C ATOM 2132 CZ PHE A 195 0.000 9.366 -5.556 1.00 0.20 C ATOM 0 H PHE A 195 -4.421 14.368 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 195 -2.137 13.957 -4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -3.685 12.171 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 195 -3.660 12.318 -6.237 1.00 0.00 H new ATOM 0 HD1 PHE A 195 -1.723 11.180 -3.300 1.00 0.92 H new ATOM 0 HD2 PHE A 195 -1.980 11.222 -7.552 1.00 0.91 H new ATOM 0 HE1 PHE A 195 0.021 9.454 -3.421 1.00 0.94 H new ATOM 0 HE2 PHE A 195 -0.239 9.496 -7.676 1.00 0.92 H new ATOM 0 HZ PHE A 195 0.766 8.606 -5.610 1.00 0.20 H new ATOM 2142 N VAL A 196 -1.594 14.338 -7.407 1.00 0.00 N ATOM 2143 CA VAL A 196 -0.553 14.544 -8.407 1.00 0.00 C ATOM 2144 C VAL A 196 0.122 15.899 -8.227 1.00 0.00 C ATOM 2145 O VAL A 196 1.319 16.046 -8.479 1.00 0.00 O ATOM 2146 CB VAL A 196 -1.119 14.450 -9.835 1.00 0.01 C ATOM 2147 CG1 VAL A 196 -0.054 14.815 -10.857 1.00 0.93 C ATOM 2148 CG2 VAL A 196 -1.667 13.055 -10.101 1.00 0.95 C ATOM 0 H VAL A 196 -2.543 14.489 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 196 0.183 13.753 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.939 15.162 -9.929 1.00 0.01 H new ATOM 0 HG11 VAL A 196 -0.473 14.743 -11.861 1.00 0.93 H new ATOM 0 HG12 VAL A 196 0.287 15.835 -10.679 1.00 0.93 H new ATOM 0 HG13 VAL A 196 0.788 14.129 -10.765 1.00 0.93 H new ATOM 0 HG21 VAL A 196 -2.063 13.007 -11.115 1.00 0.95 H new ATOM 0 HG22 VAL A 196 -0.868 12.323 -9.988 1.00 0.95 H new ATOM 0 HG23 VAL A 196 -2.463 12.835 -9.390 1.00 0.95 H new ATOM 2158 N GLU A 197 -0.651 16.887 -7.788 1.00 0.00 N ATOM 2159 CA GLU A 197 -0.125 18.231 -7.576 1.00 0.00 C ATOM 2160 C GLU A 197 0.797 18.268 -6.361 1.00 0.00 C ATOM 2161 O GLU A 197 1.751 19.046 -6.317 1.00 0.00 O ATOM 2162 CB GLU A 197 -1.272 19.224 -7.390 1.00 0.00 C ATOM 2163 CG GLU A 197 -1.273 20.350 -8.411 1.00 0.33 C ATOM 2164 CD GLU A 197 -2.620 21.036 -8.520 1.00 1.27 C ATOM 2165 OE1 GLU A 197 -3.634 20.330 -8.703 1.00 2.15 O ATOM 2166 OE2 GLU A 197 -2.661 22.281 -8.422 1.00 1.92 O ATOM 0 H GLU A 197 -1.642 16.783 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 197 0.452 18.513 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -2.219 18.688 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -1.212 19.652 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -0.516 21.085 -8.137 1.00 0.33 H new ATOM 0 HG3 GLU A 197 -0.992 19.952 -9.386 1.00 0.33 H new ATOM 2173 N LEU A 198 0.507 17.424 -5.377 1.00 0.00 N ATOM 2174 CA LEU A 198 1.310 17.362 -4.162 1.00 0.00 C ATOM 2175 C LEU A 198 2.400 16.302 -4.285 1.00 0.00 C ATOM 2176 O LEU A 198 3.556 16.544 -3.942 1.00 0.00 O ATOM 2177 CB LEU A 198 0.422 17.061 -2.953 1.00 0.00 C ATOM 2178 CG LEU A 198 0.373 18.165 -1.895 1.00 0.22 C ATOM 2179 CD1 LEU A 198 -0.711 19.178 -2.230 1.00 0.99 C ATOM 2180 CD2 LEU A 198 0.138 17.568 -0.515 1.00 0.98 C ATOM 0 H LEU A 198 -0.278 16.773 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 198 1.786 18.332 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 198 -0.592 16.870 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 198 0.774 16.143 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 198 1.334 18.680 -1.889 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -0.731 19.956 -1.466 1.00 0.99 H new ATOM 0 HD12 LEU A 198 -0.501 19.628 -3.200 1.00 0.99 H new ATOM 0 HD13 LEU A 198 -1.679 18.678 -2.264 1.00 0.99 H new ATOM 0 HD21 LEU A 198 0.106 18.367 0.226 1.00 0.98 H new ATOM 0 HD22 LEU A 198 -0.809 17.028 -0.508 1.00 0.98 H new ATOM 0 HD23 LEU A 198 0.949 16.881 -0.273 1.00 0.98 H new ATOM 2192 N TYR A 199 2.022 15.126 -4.776 1.00 0.00 N ATOM 2193 CA TYR A 199 2.969 14.029 -4.944 1.00 0.00 C ATOM 2194 C TYR A 199 3.004 13.557 -6.393 1.00 0.00 C ATOM 2195 O TYR A 199 2.580 12.444 -6.705 1.00 0.00 O ATOM 2196 CB TYR A 199 2.599 12.864 -4.025 1.00 0.01 C ATOM 2197 CG TYR A 199 2.251 13.290 -2.616 1.00 0.04 C ATOM 2198 CD1 TYR A 199 3.176 13.955 -1.822 1.00 0.89 C ATOM 2199 CD2 TYR A 199 0.996 13.028 -2.082 1.00 0.89 C ATOM 2200 CE1 TYR A 199 2.861 14.348 -0.535 1.00 0.90 C ATOM 2201 CE2 TYR A 199 0.674 13.416 -0.795 1.00 0.90 C ATOM 2202 CZ TYR A 199 1.609 14.076 -0.027 1.00 0.11 C ATOM 2203 OH TYR A 199 1.291 14.465 1.254 1.00 0.15 O ATOM 0 H TYR A 199 1.068 14.908 -5.064 1.00 0.00 H new ATOM 0 HA TYR A 199 3.961 14.394 -4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 199 1.751 12.329 -4.454 1.00 0.01 H new ATOM 0 HB3 TYR A 199 3.433 12.163 -3.988 1.00 0.01 H new ATOM 0 HD1 TYR A 199 4.158 14.169 -2.217 1.00 0.89 H new ATOM 0 HD2 TYR A 199 0.260 12.513 -2.682 1.00 0.89 H new ATOM 0 HE1 TYR A 199 3.592 14.865 0.069 1.00 0.90 H new ATOM 0 HE2 TYR A 199 -0.306 13.203 -0.393 1.00 0.90 H new ATOM 0 HH TYR A 199 0.370 14.199 1.458 1.00 0.15 H new ATOM 2213 N GLY A 200 3.511 14.411 -7.276 1.00 0.00 N ATOM 2214 CA GLY A 200 3.592 14.063 -8.682 1.00 0.00 C ATOM 2215 C GLY A 200 4.927 13.448 -9.050 1.00 0.00 C ATOM 2216 O GLY A 200 5.738 13.196 -8.134 1.00 0.38 O ATOM 2217 OXT GLY A 200 5.163 13.218 -10.255 1.00 0.38 O ATOM 0 H GLY A 200 3.867 15.338 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 200 2.793 13.363 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 200 3.428 14.957 -9.284 1.00 0.00 H new TER 2221 GLY A 200 HETATM 2222 C1 LI0 A1000 3.441 3.301 9.106 1.00 0.08 C HETATM 2223 C2 LI0 A1000 2.341 2.256 9.162 1.00 0.07 C HETATM 2224 C3 LI0 A1000 1.154 2.866 8.409 1.00 0.08 C HETATM 2225 C4 LI0 A1000 1.569 3.313 6.996 1.00 0.10 C HETATM 2226 N1 LI0 A1000 2.646 4.245 7.010 1.00 0.09 N HETATM 2227 C5 LI0 A1000 3.746 3.622 7.644 1.00 0.09 C HETATM 2228 C6 LI0 A1000 2.642 5.582 6.467 1.00 0.08 C HETATM 2229 C7 LI0 A1000 3.818 6.353 6.568 1.00 0.09 C HETATM 2230 C8 LI0 A1000 1.499 7.402 5.329 1.00 0.08 C HETATM 2231 C9 LI0 A1000 1.476 6.097 5.850 1.00 0.08 C HETATM 2232 C10 LI0 A1000 2.675 9.538 4.881 1.00 0.08 C HETATM 2233 O1 LI0 A1000 3.666 10.257 4.936 1.00 0.09 O HETATM 2234 N2 LI0 A1000 1.522 9.961 4.313 1.00 0.07 N HETATM 2235 S14 LI0 A1000 1.466 11.448 3.675 1.00 0.07 S HETATM 2236 C11 LI0 A1000 2.444 11.390 2.201 1.00 0.08 C HETATM 2237 C12 LI0 A1000 1.875 10.987 0.984 1.00 0.07 C HETATM 2238 C13 LI0 A1000 2.681 10.946 -0.168 1.00 0.09 C HETATM 2239 C14 LI0 A1000 4.063 11.306 -0.108 1.00 0.12 C HETATM 2240 C15 LI0 A1000 4.603 11.707 1.139 1.00 0.14 C HETATM 2241 C16 LI0 A1000 3.795 11.744 2.276 1.00 0.12 C HETATM 2242 O2 LI0 A1000 2.079 12.348 4.605 1.00 0.08 O HETATM 2243 O3 LI0 A1000 0.099 11.659 3.316 1.00 0.08 O HETATM 2244 N3 LI0 A1000 2.061 10.520 -1.447 1.00 0.09 N HETATM 2245 O24 LI0 A1000 0.873 10.235 -1.382 1.00 0.09 O HETATM 2246 O4 LI0 A1000 2.742 10.478 -2.457 1.00 0.11 O HETATM 2247 N4 LI0 A1000 4.894 11.255 -1.299 1.00 0.14 N HETATM 2248 C17 LI0 A1000 6.340 11.552 -1.450 1.00 0.18 C HETATM 2249 C18 LI0 A1000 7.238 10.656 -0.577 1.00 0.20 C HETATM 2250 S1 LI0 A1000 7.222 8.888 -0.955 1.00 0.19 S HETATM 2251 C19 LI0 A1000 4.614 8.013 -0.934 1.00 0.23 C HETATM 2252 C20 LI0 A1000 5.724 8.393 -0.147 1.00 0.22 C HETATM 2253 C21 LI0 A1000 5.656 8.385 1.264 1.00 0.25 C HETATM 2254 C22 LI0 A1000 4.464 7.993 1.896 1.00 0.28 C HETATM 2255 C23 LI0 A1000 3.358 7.614 1.108 1.00 0.29 C HETATM 2256 C24 LI0 A1000 3.420 7.620 -0.302 1.00 0.27 C HETATM 2257 C25 LI0 A1000 6.602 13.051 -1.157 1.00 0.22 C HETATM 2258 C26 LI0 A1000 6.684 11.297 -2.929 1.00 0.20 C HETATM 2259 C27 LI0 A1000 3.838 7.652 6.048 1.00 0.09 C HETATM 2260 C28 LI0 A1000 2.680 8.172 5.432 1.00 0.08 C HETATM 2261 O5 LI0 A1000 1.962 1.972 10.632 1.00 0.08 O HETATM 2262 C29 LI0 A1000 2.993 1.195 11.248 1.00 0.09 C HETATM 2263 C30 LI0 A1000 2.840 0.955 8.493 1.00 0.08 C HETATM 2264 C31 LI0 A1000 -0.380 -1.872 7.778 1.00 0.10 C HETATM 2265 C32 LI0 A1000 -0.273 -1.243 9.024 1.00 0.10 C HETATM 2266 C33 LI0 A1000 0.761 -0.331 9.262 1.00 0.09 C HETATM 2267 C34 LI0 A1000 1.688 -0.043 8.249 1.00 0.07 C HETATM 2268 C35 LI0 A1000 1.581 -0.676 7.006 1.00 0.07 C HETATM 2269 C36 LI0 A1000 0.549 -1.587 6.770 1.00 0.09 C HETATM 0 H32A LI0 A1000 0.348 2.136 8.341 1.00 0.08 H new HETATM 0 H31A LI0 A1000 0.766 3.719 8.965 1.00 0.08 H new HETATM 0 H302 LI0 A1000 3.320 1.195 7.544 1.00 0.08 H new HETATM 0 H301 LI0 A1000 3.597 0.489 9.124 1.00 0.08 H new HETATM 0 H293 LI0 A1000 3.107 0.252 10.713 1.00 0.09 H new HETATM 0 H292 LI0 A1000 3.933 1.746 11.215 1.00 0.09 H new HETATM 0 H291 LI0 A1000 2.726 0.994 12.286 1.00 0.09 H new HETATM 0 H263 LI0 A1000 6.471 10.257 -3.178 1.00 0.20 H new HETATM 0 H262 LI0 A1000 6.083 11.952 -3.560 1.00 0.20 H new HETATM 0 H261 LI0 A1000 7.741 11.501 -3.097 1.00 0.20 H new HETATM 0 H253 LI0 A1000 6.034 13.663 -1.857 1.00 0.22 H new HETATM 0 H252 LI0 A1000 6.292 13.282 -0.138 1.00 0.22 H new HETATM 0 H251 LI0 A1000 7.665 13.263 -1.269 1.00 0.22 H new HETATM 0 H182 LI0 A1000 8.264 11.014 -0.662 1.00 0.20 H new HETATM 0 H181 LI0 A1000 6.941 10.785 0.464 1.00 0.20 H new HETATM 0 H12A LI0 A1000 3.131 4.203 9.633 1.00 0.08 H new HETATM 0 HN4 LI0 A1000 4.414 10.975 -2.154 1.00 0.14 H new HETATM 0 HN2 LI0 A1000 0.703 9.354 4.287 1.00 0.07 H new HETATM 0 H9 LI0 A1000 0.573 5.490 5.780 1.00 0.08 H new HETATM 0 H8 LI0 A1000 0.613 7.817 4.849 1.00 0.08 H new HETATM 0 H7 LI0 A1000 4.705 5.940 7.048 1.00 0.09 H new HETATM 0 H52 LI0 A1000 4.617 4.275 7.588 1.00 0.09 H new HETATM 0 H51 LI0 A1000 4.001 2.704 7.114 1.00 0.09 H new HETATM 0 H42 LI0 A1000 1.858 2.439 6.413 1.00 0.10 H new HETATM 0 H41 LI0 A1000 0.712 3.762 6.495 1.00 0.10 H new HETATM 0 H36 LI0 A1000 0.467 -2.077 5.800 1.00 0.09 H new HETATM 0 H35 LI0 A1000 2.304 -0.458 6.220 1.00 0.07 H new HETATM 0 H33 LI0 A1000 0.846 0.155 10.234 1.00 0.09 H new HETATM 0 H32 LI0 A1000 -0.996 -1.464 9.809 1.00 0.10 H new HETATM 0 H31 LI0 A1000 -1.185 -2.583 7.593 1.00 0.10 H new HETATM 0 H27 LI0 A1000 4.742 8.258 6.118 1.00 0.09 H new HETATM 0 H24 LI0 A1000 2.554 7.324 -0.894 1.00 0.27 H new HETATM 0 H23 LI0 A1000 2.434 7.309 1.599 1.00 0.29 H new HETATM 0 H22 LI0 A1000 4.395 7.982 2.984 1.00 0.28 H new HETATM 0 H21 LI0 A1000 6.521 8.681 1.858 1.00 0.25 H new HETATM 0 H19 LI0 A1000 4.682 8.024 -2.022 1.00 0.23 H new HETATM 0 H16 LI0 A1000 4.221 12.052 3.231 1.00 0.12 H new HETATM 0 H15 LI0 A1000 5.654 11.988 1.210 1.00 0.14 H new HETATM 0 H12 LI0 A1000 0.822 10.709 0.932 1.00 0.07 H new HETATM 0 H11 LI0 A1000 4.337 2.932 9.606 1.00 0.08 H new CONECT 2222 2223 2227 2270 2271 CONECT 2223 2222 2224 2261 2263 CONECT 2224 2223 2225 2272 2273 CONECT 2225 2224 2226 2274 2275 CONECT 2226 2225 2227 2228 CONECT 2227 2222 2226 2276 2277 CONECT 2228 2226 2229 2231 CONECT 2229 2228 2259 2278 CONECT 2230 2231 2260 2279 CONECT 2231 2228 2230 2280 CONECT 2232 2233 2234 2260 CONECT 2233 2232 CONECT 2234 2232 2235 2281 CONECT 2235 2234 2236 2242 2243 CONECT 2236 2235 2237 2241 CONECT 2237 2236 2238 2282 CONECT 2238 2237 2239 2244 CONECT 2239 2238 2240 2247 CONECT 2240 2239 2241 2283 CONECT 2241 2236 2240 2284 CONECT 2242 2235 CONECT 2243 2235 CONECT 2244 2238 2245 2246 CONECT 2245 2244 CONECT 2246 2244 CONECT 2247 2239 2248 2285 CONECT 2248 2247 2249 2257 2258 CONECT 2249 2248 2250 2286 2287 CONECT 2250 2249 2252 CONECT 2251 2252 2256 2288 CONECT 2252 2250 2251 2253 CONECT 2253 2252 2254 2289 CONECT 2254 2253 2255 2290 CONECT 2255 2254 2256 2291 CONECT 2256 2251 2255 2292 CONECT 2257 2248 2293 2294 2295 CONECT 2258 2248 2296 2297 2298 CONECT 2259 2229 2260 2299 CONECT 2260 2230 2232 2259 CONECT 2261 2223 2262 CONECT 2262 2261 2300 2301 2302 CONECT 2263 2223 2267 2303 2304 CONECT 2264 2265 2269 2305 CONECT 2265 2264 2266 2306 CONECT 2266 2265 2267 2307 CONECT 2267 2263 2266 2268 CONECT 2268 2267 2269 2308 CONECT 2269 2264 2268 2309 CONECT 2270 2222 CONECT 2271 2222 CONECT 2272 2224 CONECT 2273 2224 CONECT 2274 2225 CONECT 2275 2225 CONECT 2276 2227 CONECT 2277 2227 CONECT 2278 2229 CONECT 2279 2230 CONECT 2280 2231 CONECT 2281 2234 CONECT 2282 2237 CONECT 2283 2240 CONECT 2284 2241 CONECT 2285 2247 CONECT 2286 2249 CONECT 2287 2249 CONECT 2288 2251 CONECT 2289 2253 CONECT 2290 2254 CONECT 2291 2255 CONECT 2292 2256 CONECT 2293 2257 CONECT 2294 2257 CONECT 2295 2257 CONECT 2296 2258 CONECT 2297 2258 CONECT 2298 2258 CONECT 2299 2259 CONECT 2300 2262 CONECT 2301 2262 CONECT 2302 2262 CONECT 2303 2263 CONECT 2304 2263 CONECT 2305 2264 CONECT 2306 2265 CONECT 2307 2266 CONECT 2308 2268 CONECT 2309 2269 END