USER MOD reduce.3.24.130724 H: found=0, std=0, add=1297, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1291 hydrogens (30 hets) HEADER APOPTOSIS 29-NOV-06 2O21 TITLE SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN TITLE 2 COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-2; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BCL2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS APOPTOSIS, COMPLEX, BCL, NMR EXPDTA SOLUTION NMR AUTHOR M.BRUNCKO,T.K.OOST,B.A.BELLI,H.DING,M.K.JOSEPH,A.KUNZER, AUTHOR 2 D.MARTINEAU,W.J.MCCLELLAN,M.MITTEN,S.C.NG,P.M.NIMMER, AUTHOR 3 T.OLTERSDORF,C.M.PARK,A.M.PETROS,A.R.SHOEMAKER,X.SONG, AUTHOR 4 X.WANG,M.D.WENDT,H.ZHANG,S.W.FESIK,S.H.ROSENBERG,S.W.ELMORE REVDAT 2 24-FEB-09 2O21 1 VERSN REVDAT 1 27-FEB-07 2O21 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 2O21 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-DEC-06. REMARK 100 THE RCSB ID CODE IS RCSB040587. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 8.0 REMARK 210 IONIC STRENGTH : 25 MM TRIS; 150 MM SODIUM REMARK 210 CHLORIDE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 25MM TRIS BUFFER; 150 MM REMARK 210 SODIUM CHLORIDE; 90% H2O, 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 GLY A 200 C GLY A 200 O 0.851 REMARK 500 GLY A 200 C PRO A 201 N -0.247 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 GLY A 200 N - CA - C ANGL. DEV. = 31.6 DEGREES REMARK 500 GLY A 200 CA - C - O ANGL. DEV. = -38.3 DEGREES REMARK 500 GLY A 200 CA - C - N ANGL. DEV. = 29.3 DEGREES REMARK 500 GLY A 200 O - C - N ANGL. DEV. = -37.2 DEGREES REMARK 500 PRO A 201 C - N - CA ANGL. DEV. = 26.1 DEGREES REMARK 500 PRO A 201 C - N - CD ANGL. DEV. = -32.8 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 ALA A 2 76.36 -166.09 REMARK 500 ALA A 30 -77.73 -73.57 REMARK 500 GLU A 36 87.65 59.72 REMARK 500 THR A 39 -66.82 69.83 REMARK 500 GLU A 40 32.88 -149.64 REMARK 500 ALA A 41 152.55 67.44 REMARK 500 ARG A 107 35.03 -164.99 REMARK 500 ASP A 108 -70.32 -127.28 REMARK 500 HIS A 117 -168.23 73.34 REMARK 500 THR A 119 144.66 177.51 REMARK 500 ARG A 161 -79.42 -91.15 REMARK 500 GLU A 162 39.61 179.51 REMARK 500 HIS A 181 -67.23 -134.30 REMARK 500 TYR A 199 60.45 -111.27 REMARK 500 PRO A 201 173.54 -11.42 REMARK 500 MET A 203 -80.98 64.32 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 GLY A 200 PRO A 201 -116.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 GLY A 200 104.80 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 43B A 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2O1Y RELATED DB: PDB DBREF 2O21 A 1 32 UNP P10415 BCL2_HUMAN 3 34 DBREF 2O21 A 33 48 UNP Q07817 BCLX_HUMAN 29 44 DBREF 2O21 A 89 204 UNP P10415 BCL2_HUMAN 92 207 SEQRES 1 A 164 HIS ALA GLY ARG THR GLY TYR ASP ASN ARG GLU ILE VAL SEQRES 2 A 164 MET LYS TYR ILE HIS TYR LYS LEU SER GLN ARG GLY TYR SEQRES 3 A 164 GLU TRP ASP ALA GLY ASP ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 164 GLU ALA PRO GLU GLY THR GLU SER GLU VAL VAL HIS LEU SEQRES 5 A 164 THR LEU ARG GLN ALA GLY ASP ASP PHE SER ARG ARG TYR SEQRES 6 A 164 ARG ARG ASP PHE ALA GLU MET SER SER GLN LEU HIS LEU SEQRES 7 A 164 THR PRO PHE THR ALA ARG GLY ARG PHE ALA THR VAL VAL SEQRES 8 A 164 GLU GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 164 VAL ALA PHE PHE GLU PHE GLY GLY VAL MET CYS VAL GLU SEQRES 10 A 164 SER VAL ASN ARG GLU MET SER PRO LEU VAL ASP ASN ILE SEQRES 11 A 164 ALA LEU TRP MET THR GLU TYR LEU ASN ARG HIS LEU HIS SEQRES 12 A 164 THR TRP ILE GLN ASP ASN GLY GLY TRP ASP ALA PHE VAL SEQRES 13 A 164 GLU LEU TYR GLY PRO SER MET ARG HET 43B A1000 78 HETNAM 43B 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5- HETNAM 2 43B YL]BENZOYL}-4-{[2-(PHENYLSULFANYL) HETNAM 3 43B ETHYL]AMINO}BENZENESULFONAMIDE FORMUL 2 43B C36 H30 N4 O5 S3 HELIX 1 1 ASP A 8 GLN A 23 1 16 HELIX 2 2 GLY A 44 TYR A 105 1 22 HELIX 3 3 ASP A 108 HIS A 117 1 10 HELIX 4 4 THR A 119 PHE A 135 1 17 HELIX 5 5 ASN A 140 GLU A 162 1 23 HELIX 6 6 PRO A 165 HIS A 181 1 17 HELIX 7 7 HIS A 181 ASN A 189 1 9 HELIX 8 8 GLY A 191 TYR A 199 1 9 SITE *** AC1 15 ALA A 97 ASP A 100 PHE A 101 TYR A 105 SITE *** AC1 15 PHE A 109 MET A 112 GLU A 133 LEU A 134 SITE *** AC1 15 TRP A 141 GLY A 142 VAL A 145 ALA A 146 SITE *** AC1 15 PHE A 150 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 16 TYR OH : rot 70:sc= -1.36 USER MOD Set 1.2: A 20 LYS NZ :NH3+ -115:sc= -1.63 (180deg=-4.21!) USER MOD Set 2.1: A 9 ASN : amide:sc= -1.43 X(o=-1.5,f=-1.4) USER MOD Set 2.2: A 179 ASN : amide:sc= -0.0593 X(o=-1.5,f=-1.5) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 187 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.016) USER MOD Single : A 1 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.19) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -118:sc= 0.336 USER MOD Single : A 14 MET CE :methyl 148:sc= -5.51! (180deg=-9.46!) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= -0.339 (180deg=-1.7!) USER MOD Single : A 18 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-0.086) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -76:sc= 0.431 USER MOD Single : A 23 GLN : amide:sc=-0.000323 X(o=-0.00032,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.489 K(o=0.49,f=-3.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 45 THR OG1 : rot 49:sc= 0.296 USER MOD Single : A 47 SER OG : rot -84:sc= 0.0836 USER MOD Single : A 91 HIS : no HD1:sc= -0.445 X(o=-0.44,f=-0.46) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 102 SER OG : rot -82:sc= 1.73 USER MOD Single : A 105 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 112 MET CE :methyl 142:sc= -2.55 (180deg=-4.36!) USER MOD Single : A 113 SER OG : rot -115:sc= 0.562 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.29) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 129 THR OG1 : rot 84:sc= 0.828 USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -155:sc= -0.463 (180deg=-1.47) USER MOD Single : A 155 CYS SG : rot -130:sc= -5.73! USER MOD Single : A 158 SER OG : rot 75:sc= 0.74 USER MOD Single : A 160 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.8!) USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 SER OG : rot 143:sc= 0.233 USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 174 MET CE :methyl 167:sc= -8.65! (180deg=-8.9!) USER MOD Single : A 175 THR OG1 : rot -120:sc= -0.521 USER MOD Single : A 177 TYR OH : rot 150:sc= 0 USER MOD Single : A 181 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.037) USER MOD Single : A 183 HIS : no HD1:sc= -2.4 X(o=-2.4,f=-2.8!) USER MOD Single : A 184 THR OG1 : rot 32:sc= 1.2 USER MOD Single : A 189 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.9!) USER MOD Single : A 199 TYR OH : rot 125:sc= 1.34 USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 203 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -21.114 21.010 -10.453 1.00 0.02 N ATOM 2 CA HIS A 1 -20.485 21.826 -9.382 1.00 0.02 C ATOM 3 C HIS A 1 -19.387 21.044 -8.665 1.00 0.02 C ATOM 4 O HIS A 1 -19.411 20.894 -7.444 1.00 0.02 O ATOM 5 CB HIS A 1 -21.572 22.249 -8.392 1.00 0.02 C ATOM 6 CG HIS A 1 -21.444 23.670 -7.937 1.00 1.09 C ATOM 7 ND1 HIS A 1 -22.035 24.149 -6.786 1.00 1.98 N ATOM 8 CD2 HIS A 1 -20.788 24.721 -8.485 1.00 1.67 C ATOM 9 CE1 HIS A 1 -21.749 25.432 -6.647 1.00 2.78 C ATOM 10 NE2 HIS A 1 -20.993 25.802 -7.664 1.00 2.59 N ATOM 0 H1 HIS A 1 -21.856 21.567 -10.923 1.00 0.02 H new ATOM 0 H2 HIS A 1 -20.392 20.737 -11.150 1.00 0.02 H new ATOM 0 H3 HIS A 1 -21.534 20.155 -10.036 1.00 0.02 H new ATOM 0 HA HIS A 1 -20.020 22.706 -9.826 1.00 0.02 H new ATOM 0 HB2 HIS A 1 -22.549 22.111 -8.856 1.00 0.02 H new ATOM 0 HB3 HIS A 1 -21.536 21.593 -7.523 1.00 0.02 H new ATOM 0 HD2 HIS A 1 -20.211 24.710 -9.398 1.00 1.67 H new ATOM 0 HE1 HIS A 1 -22.078 26.069 -5.839 1.00 2.78 H new ATOM 0 HE2 HIS A 1 -20.621 26.740 -7.815 1.00 2.59 H new ATOM 20 N ALA A 2 -18.424 20.550 -9.436 1.00 0.02 N ATOM 21 CA ALA A 2 -17.315 19.785 -8.879 1.00 0.02 C ATOM 22 C ALA A 2 -16.190 19.630 -9.899 1.00 0.02 C ATOM 23 O ALA A 2 -16.022 18.566 -10.494 1.00 0.03 O ATOM 24 CB ALA A 2 -17.796 18.420 -8.411 1.00 0.02 C ATOM 0 H ALA A 2 -18.389 20.666 -10.449 1.00 0.02 H new ATOM 0 HA ALA A 2 -16.923 20.332 -8.022 1.00 0.02 H new ATOM 0 HB1 ALA A 2 -16.957 17.861 -7.998 1.00 0.02 H new ATOM 0 HB2 ALA A 2 -18.560 18.547 -7.644 1.00 0.02 H new ATOM 0 HB3 ALA A 2 -18.216 17.873 -9.255 1.00 0.02 H new ATOM 30 N GLY A 3 -15.424 20.698 -10.094 1.00 0.03 N ATOM 31 CA GLY A 3 -14.325 20.660 -11.043 1.00 0.04 C ATOM 32 C GLY A 3 -14.763 20.194 -12.418 1.00 0.03 C ATOM 33 O GLY A 3 -15.934 19.881 -12.630 1.00 0.05 O ATOM 0 H GLY A 3 -15.544 21.589 -9.612 1.00 0.03 H new ATOM 0 HA2 GLY A 3 -13.883 21.653 -11.123 1.00 0.04 H new ATOM 0 HA3 GLY A 3 -13.548 19.995 -10.668 1.00 0.04 H new ATOM 37 N ARG A 4 -13.823 20.150 -13.356 1.00 0.03 N ATOM 38 CA ARG A 4 -14.122 19.721 -14.718 1.00 0.04 C ATOM 39 C ARG A 4 -13.069 18.743 -15.230 1.00 0.03 C ATOM 40 O ARG A 4 -12.799 18.682 -16.429 1.00 0.11 O ATOM 41 CB ARG A 4 -14.201 20.933 -15.648 1.00 0.05 C ATOM 42 CG ARG A 4 -14.572 22.222 -14.934 1.00 1.27 C ATOM 43 CD ARG A 4 -15.310 23.177 -15.855 1.00 2.02 C ATOM 44 NE ARG A 4 -14.538 24.389 -16.116 1.00 2.96 N ATOM 45 CZ ARG A 4 -13.502 24.445 -16.951 1.00 4.00 C ATOM 46 NH1 ARG A 4 -13.115 23.362 -17.619 1.00 4.30 N ATOM 47 NH2 ARG A 4 -12.851 25.588 -17.121 1.00 5.00 N ATOM 0 H ARG A 4 -12.848 20.406 -13.199 1.00 0.03 H new ATOM 0 HA ARG A 4 -15.086 19.212 -14.707 1.00 0.04 H new ATOM 0 HB2 ARG A 4 -13.239 21.065 -16.142 1.00 0.05 H new ATOM 0 HB3 ARG A 4 -14.936 20.735 -16.428 1.00 0.05 H new ATOM 0 HG2 ARG A 4 -15.196 21.994 -14.070 1.00 1.27 H new ATOM 0 HG3 ARG A 4 -13.669 22.703 -14.557 1.00 1.27 H new ATOM 0 HD2 ARG A 4 -15.528 22.676 -16.798 1.00 2.02 H new ATOM 0 HD3 ARG A 4 -16.267 23.446 -15.408 1.00 2.02 H new ATOM 0 HE ARG A 4 -14.809 25.244 -15.630 1.00 2.96 H new ATOM 0 HH11 ARG A 4 -13.613 22.481 -17.494 1.00 4.30 H new ATOM 0 HH12 ARG A 4 -12.321 23.413 -18.257 1.00 4.30 H new ATOM 0 HH21 ARG A 4 -13.144 26.422 -16.613 1.00 5.00 H new ATOM 0 HH22 ARG A 4 -12.057 25.633 -17.760 1.00 5.00 H new ATOM 61 N THR A 5 -12.478 17.981 -14.316 1.00 0.07 N ATOM 62 CA THR A 5 -11.457 17.007 -14.682 1.00 0.05 C ATOM 63 C THR A 5 -12.054 15.605 -14.759 1.00 0.07 C ATOM 64 O THR A 5 -11.743 14.835 -15.667 1.00 0.12 O ATOM 65 CB THR A 5 -10.308 17.032 -13.672 1.00 0.06 C ATOM 66 OG1 THR A 5 -10.568 16.149 -12.597 1.00 1.17 O ATOM 67 CG2 THR A 5 -10.051 18.405 -13.089 1.00 1.19 C ATOM 0 H THR A 5 -12.688 18.019 -13.319 1.00 0.07 H new ATOM 0 HA THR A 5 -11.068 17.275 -15.664 1.00 0.05 H new ATOM 0 HB THR A 5 -9.425 16.724 -14.232 1.00 0.06 H new ATOM 0 HG1 THR A 5 -10.621 16.658 -11.761 1.00 1.17 H new ATOM 0 HG21 THR A 5 -9.224 18.351 -12.381 1.00 1.19 H new ATOM 0 HG22 THR A 5 -9.798 19.099 -13.890 1.00 1.19 H new ATOM 0 HG23 THR A 5 -10.946 18.755 -12.575 1.00 1.19 H new ATOM 75 N GLY A 6 -12.922 15.286 -13.804 1.00 0.06 N ATOM 76 CA GLY A 6 -13.558 13.981 -13.785 1.00 0.07 C ATOM 77 C GLY A 6 -12.724 12.924 -13.088 1.00 0.08 C ATOM 78 O GLY A 6 -12.853 11.735 -13.381 1.00 0.21 O ATOM 0 H GLY A 6 -13.196 15.908 -13.043 1.00 0.06 H new ATOM 0 HA2 GLY A 6 -14.524 14.061 -13.286 1.00 0.07 H new ATOM 0 HA3 GLY A 6 -13.754 13.664 -14.809 1.00 0.07 H new ATOM 82 N TYR A 7 -11.864 13.349 -12.165 1.00 0.00 N ATOM 83 CA TYR A 7 -11.015 12.410 -11.436 1.00 0.00 C ATOM 84 C TYR A 7 -11.842 11.259 -10.871 1.00 0.00 C ATOM 85 O TYR A 7 -12.860 11.476 -10.214 1.00 0.00 O ATOM 86 CB TYR A 7 -10.264 13.088 -10.253 1.00 0.00 C ATOM 87 CG TYR A 7 -11.010 14.205 -9.514 1.00 0.00 C ATOM 88 CD1 TYR A 7 -12.076 13.907 -8.660 1.00 0.00 C ATOM 89 CD2 TYR A 7 -10.624 15.537 -9.698 1.00 0.00 C ATOM 90 CE1 TYR A 7 -12.744 14.932 -7.993 1.00 0.00 C ATOM 91 CE2 TYR A 7 -11.294 16.559 -9.031 1.00 0.00 C ATOM 92 CZ TYR A 7 -12.353 16.255 -8.179 1.00 0.00 C ATOM 93 OH TYR A 7 -13.009 17.257 -7.521 1.00 0.00 O ATOM 0 H TYR A 7 -11.737 14.327 -11.906 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.284 12.041 -12.156 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -10.003 12.316 -9.529 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.328 13.498 -10.634 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -12.382 12.881 -8.517 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.804 15.773 -10.360 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -13.565 14.700 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.993 17.586 -9.174 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.612 18.120 -7.760 1.00 0.00 H new ATOM 103 N ASP A 8 -11.399 10.034 -11.135 1.00 0.13 N ATOM 104 CA ASP A 8 -12.100 8.848 -10.655 1.00 0.14 C ATOM 105 C ASP A 8 -11.192 8.005 -9.766 1.00 0.14 C ATOM 106 O ASP A 8 -10.134 7.549 -10.201 1.00 0.13 O ATOM 107 CB ASP A 8 -12.601 8.010 -11.832 1.00 0.13 C ATOM 108 CG ASP A 8 -14.003 7.476 -11.607 1.00 1.19 C ATOM 109 OD1 ASP A 8 -14.221 6.794 -10.584 1.00 2.05 O ATOM 110 OD2 ASP A 8 -14.883 7.741 -12.454 1.00 1.80 O ATOM 0 H ASP A 8 -10.559 9.836 -11.678 1.00 0.13 H new ATOM 0 HA ASP A 8 -12.956 9.177 -10.065 1.00 0.14 H new ATOM 0 HB2 ASP A 8 -12.587 8.616 -12.738 1.00 0.13 H new ATOM 0 HB3 ASP A 8 -11.919 7.175 -11.996 1.00 0.13 H new ATOM 115 N ASN A 9 -11.612 7.805 -8.520 1.00 0.17 N ATOM 116 CA ASN A 9 -10.841 7.021 -7.561 1.00 0.18 C ATOM 117 C ASN A 9 -10.342 5.720 -8.186 1.00 0.16 C ATOM 118 O ASN A 9 -9.269 5.226 -7.841 1.00 0.16 O ATOM 119 CB ASN A 9 -11.690 6.715 -6.325 1.00 0.25 C ATOM 120 CG ASN A 9 -12.309 7.963 -5.727 1.00 1.12 C ATOM 121 OD1 ASN A 9 -11.634 8.743 -5.055 1.00 1.92 O ATOM 122 ND2 ASN A 9 -13.600 8.160 -5.968 1.00 1.85 N ATOM 0 H ASN A 9 -12.487 8.177 -8.150 1.00 0.17 H new ATOM 0 HA ASN A 9 -9.974 7.611 -7.264 1.00 0.18 H new ATOM 0 HB2 ASN A 9 -12.480 6.014 -6.594 1.00 0.25 H new ATOM 0 HB3 ASN A 9 -11.071 6.224 -5.574 1.00 0.25 H new ATOM 0 HD21 ASN A 9 -14.069 8.983 -5.591 1.00 1.85 H new ATOM 0 HD22 ASN A 9 -14.122 7.488 -6.530 1.00 1.85 H new ATOM 129 N ARG A 10 -11.128 5.171 -9.106 1.00 0.18 N ATOM 130 CA ARG A 10 -10.766 3.929 -9.780 1.00 0.19 C ATOM 131 C ARG A 10 -9.645 4.152 -10.791 1.00 0.17 C ATOM 132 O ARG A 10 -8.678 3.392 -10.836 1.00 0.21 O ATOM 133 CB ARG A 10 -11.985 3.335 -10.486 1.00 0.22 C ATOM 134 CG ARG A 10 -12.678 2.241 -9.692 1.00 1.11 C ATOM 135 CD ARG A 10 -13.821 1.625 -10.480 1.00 1.60 C ATOM 136 NE ARG A 10 -14.249 2.487 -11.579 1.00 2.33 N ATOM 137 CZ ARG A 10 -15.036 3.551 -11.426 1.00 2.95 C ATOM 138 NH1 ARG A 10 -15.497 3.882 -10.226 1.00 3.04 N ATOM 139 NH2 ARG A 10 -15.364 4.288 -12.478 1.00 3.90 N ATOM 0 H ARG A 10 -12.020 5.567 -9.402 1.00 0.18 H new ATOM 0 HA ARG A 10 -10.410 3.232 -9.022 1.00 0.19 H new ATOM 0 HB2 ARG A 10 -12.700 4.132 -10.690 1.00 0.22 H new ATOM 0 HB3 ARG A 10 -11.675 2.931 -11.450 1.00 0.22 H new ATOM 0 HG2 ARG A 10 -11.957 1.467 -9.429 1.00 1.11 H new ATOM 0 HG3 ARG A 10 -13.059 2.653 -8.757 1.00 1.11 H new ATOM 0 HD2 ARG A 10 -13.510 0.658 -10.876 1.00 1.60 H new ATOM 0 HD3 ARG A 10 -14.664 1.440 -9.814 1.00 1.60 H new ATOM 0 HE ARG A 10 -13.926 2.261 -12.520 1.00 2.33 H new ATOM 0 HH11 ARG A 10 -15.249 3.320 -9.412 1.00 3.04 H new ATOM 0 HH12 ARG A 10 -16.099 4.698 -10.118 1.00 3.04 H new ATOM 0 HH21 ARG A 10 -15.014 4.040 -13.403 1.00 3.90 H new ATOM 0 HH22 ARG A 10 -15.967 5.103 -12.362 1.00 3.90 H new ATOM 153 N GLU A 11 -9.789 5.187 -11.611 1.00 0.15 N ATOM 154 CA GLU A 11 -8.797 5.501 -12.634 1.00 0.17 C ATOM 155 C GLU A 11 -7.429 5.804 -12.025 1.00 0.17 C ATOM 156 O GLU A 11 -6.421 5.230 -12.435 1.00 0.31 O ATOM 157 CB GLU A 11 -9.258 6.689 -13.481 1.00 0.19 C ATOM 158 CG GLU A 11 -8.759 6.643 -14.917 1.00 1.27 C ATOM 159 CD GLU A 11 -9.606 7.478 -15.857 1.00 2.03 C ATOM 160 OE1 GLU A 11 -10.563 8.122 -15.378 1.00 2.67 O ATOM 161 OE2 GLU A 11 -9.313 7.486 -17.071 1.00 2.69 O ATOM 0 H GLU A 11 -10.585 5.825 -11.587 1.00 0.15 H new ATOM 0 HA GLU A 11 -8.698 4.620 -13.268 1.00 0.17 H new ATOM 0 HB2 GLU A 11 -10.348 6.721 -13.485 1.00 0.19 H new ATOM 0 HB3 GLU A 11 -8.914 7.612 -13.015 1.00 0.19 H new ATOM 0 HG2 GLU A 11 -7.729 6.997 -14.951 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -8.752 5.609 -15.262 1.00 1.27 H new ATOM 168 N ILE A 12 -7.396 6.719 -11.061 1.00 0.12 N ATOM 169 CA ILE A 12 -6.141 7.101 -10.423 1.00 0.12 C ATOM 170 C ILE A 12 -5.392 5.889 -9.875 1.00 0.12 C ATOM 171 O ILE A 12 -4.172 5.797 -10.011 1.00 0.22 O ATOM 172 CB ILE A 12 -6.346 8.131 -9.288 1.00 0.15 C ATOM 173 CG1 ILE A 12 -5.106 8.177 -8.390 1.00 1.02 C ATOM 174 CG2 ILE A 12 -7.592 7.812 -8.474 1.00 1.03 C ATOM 175 CD1 ILE A 12 -5.178 7.248 -7.198 1.00 1.53 C ATOM 0 H ILE A 12 -8.218 7.207 -10.706 1.00 0.12 H new ATOM 0 HA ILE A 12 -5.542 7.566 -11.206 1.00 0.12 H new ATOM 0 HB ILE A 12 -6.490 9.113 -9.738 1.00 0.15 H new ATOM 0 HG12 ILE A 12 -4.229 7.922 -8.985 1.00 1.02 H new ATOM 0 HG13 ILE A 12 -4.964 9.198 -8.035 1.00 1.02 H new ATOM 0 HG21 ILE A 12 -7.710 8.553 -7.684 1.00 1.03 H new ATOM 0 HG22 ILE A 12 -8.467 7.833 -9.124 1.00 1.03 H new ATOM 0 HG23 ILE A 12 -7.493 6.821 -8.030 1.00 1.03 H new ATOM 0 HD11 ILE A 12 -4.264 7.338 -6.611 1.00 1.53 H new ATOM 0 HD12 ILE A 12 -6.034 7.516 -6.579 1.00 1.53 H new ATOM 0 HD13 ILE A 12 -5.288 6.220 -7.544 1.00 1.53 H new ATOM 187 N VAL A 13 -6.118 4.962 -9.258 1.00 0.11 N ATOM 188 CA VAL A 13 -5.497 3.765 -8.704 1.00 0.11 C ATOM 189 C VAL A 13 -5.093 2.799 -9.810 1.00 0.11 C ATOM 190 O VAL A 13 -4.109 2.071 -9.685 1.00 0.17 O ATOM 191 CB VAL A 13 -6.425 3.044 -7.707 1.00 0.13 C ATOM 192 CG1 VAL A 13 -7.678 2.533 -8.400 1.00 1.28 C ATOM 193 CG2 VAL A 13 -5.689 1.904 -7.021 1.00 1.24 C ATOM 0 H VAL A 13 -7.128 5.016 -9.130 1.00 0.11 H new ATOM 0 HA VAL A 13 -4.606 4.093 -8.168 1.00 0.11 H new ATOM 0 HB VAL A 13 -6.730 3.764 -6.948 1.00 0.13 H new ATOM 0 HG11 VAL A 13 -8.315 2.028 -7.674 1.00 1.28 H new ATOM 0 HG12 VAL A 13 -8.220 3.372 -8.837 1.00 1.28 H new ATOM 0 HG13 VAL A 13 -7.399 1.832 -9.186 1.00 1.28 H new ATOM 0 HG21 VAL A 13 -6.360 1.407 -6.321 1.00 1.24 H new ATOM 0 HG22 VAL A 13 -5.350 1.188 -7.769 1.00 1.24 H new ATOM 0 HG23 VAL A 13 -4.829 2.299 -6.481 1.00 1.24 H new ATOM 203 N MET A 14 -5.865 2.797 -10.894 1.00 0.09 N ATOM 204 CA MET A 14 -5.595 1.918 -12.025 1.00 0.10 C ATOM 205 C MET A 14 -4.309 2.330 -12.737 1.00 0.09 C ATOM 206 O MET A 14 -3.548 1.484 -13.204 1.00 0.13 O ATOM 207 CB MET A 14 -6.791 1.927 -12.994 1.00 0.14 C ATOM 208 CG MET A 14 -6.499 2.489 -14.380 1.00 1.15 C ATOM 209 SD MET A 14 -5.702 1.285 -15.456 1.00 2.23 S ATOM 210 CE MET A 14 -7.028 0.095 -15.647 1.00 3.13 C ATOM 0 H MET A 14 -6.683 3.395 -11.012 1.00 0.09 H new ATOM 0 HA MET A 14 -5.456 0.902 -11.655 1.00 0.10 H new ATOM 0 HB2 MET A 14 -7.157 0.906 -13.103 1.00 0.14 H new ATOM 0 HB3 MET A 14 -7.597 2.509 -12.546 1.00 0.14 H new ATOM 0 HG2 MET A 14 -7.431 2.821 -14.838 1.00 1.15 H new ATOM 0 HG3 MET A 14 -5.860 3.367 -14.286 1.00 1.15 H new ATOM 0 HE1 MET A 14 -6.967 -0.362 -16.635 1.00 3.13 H new ATOM 0 HE2 MET A 14 -6.936 -0.677 -14.883 1.00 3.13 H new ATOM 0 HE3 MET A 14 -7.988 0.600 -15.539 1.00 3.13 H new ATOM 220 N LYS A 15 -4.074 3.637 -12.811 1.00 0.06 N ATOM 221 CA LYS A 15 -2.880 4.167 -13.462 1.00 0.08 C ATOM 222 C LYS A 15 -1.647 3.969 -12.586 1.00 0.10 C ATOM 223 O LYS A 15 -0.613 3.489 -13.051 1.00 0.10 O ATOM 224 CB LYS A 15 -3.065 5.656 -13.766 1.00 0.10 C ATOM 225 CG LYS A 15 -2.948 6.000 -15.242 1.00 1.15 C ATOM 226 CD LYS A 15 -1.609 6.648 -15.558 1.00 2.14 C ATOM 227 CE LYS A 15 -1.775 8.107 -15.952 1.00 3.06 C ATOM 228 NZ LYS A 15 -2.839 8.286 -16.978 1.00 3.81 N ATOM 0 H LYS A 15 -4.695 4.349 -12.428 1.00 0.06 H new ATOM 0 HA LYS A 15 -2.732 3.623 -14.395 1.00 0.08 H new ATOM 0 HB2 LYS A 15 -4.044 5.972 -13.405 1.00 0.10 H new ATOM 0 HB3 LYS A 15 -2.321 6.226 -13.210 1.00 0.10 H new ATOM 0 HG2 LYS A 15 -3.065 5.095 -15.838 1.00 1.15 H new ATOM 0 HG3 LYS A 15 -3.756 6.675 -15.525 1.00 1.15 H new ATOM 0 HD2 LYS A 15 -0.955 6.577 -14.689 1.00 2.14 H new ATOM 0 HD3 LYS A 15 -1.123 6.104 -16.368 1.00 2.14 H new ATOM 0 HE2 LYS A 15 -2.020 8.696 -15.068 1.00 3.06 H new ATOM 0 HE3 LYS A 15 -0.830 8.489 -16.338 1.00 3.06 H new ATOM 0 HZ1 LYS A 15 -2.562 9.041 -17.637 1.00 3.81 H new ATOM 0 HZ2 LYS A 15 -2.968 7.398 -17.503 1.00 3.81 H new ATOM 0 HZ3 LYS A 15 -3.732 8.544 -16.511 1.00 3.81 H new ATOM 242 N TYR A 16 -1.763 4.347 -11.317 1.00 0.00 N ATOM 243 CA TYR A 16 -0.660 4.216 -10.374 1.00 0.00 C ATOM 244 C TYR A 16 -0.185 2.769 -10.287 1.00 0.00 C ATOM 245 O TYR A 16 1.009 2.489 -10.403 1.00 0.00 O ATOM 246 CB TYR A 16 -1.079 4.671 -8.946 1.00 0.00 C ATOM 247 CG TYR A 16 -0.160 4.253 -7.792 1.00 0.00 C ATOM 248 CD1 TYR A 16 1.003 4.975 -7.509 1.00 0.00 C ATOM 249 CD2 TYR A 16 -0.483 3.134 -7.018 1.00 0.00 C ATOM 250 CE1 TYR A 16 1.828 4.585 -6.457 1.00 0.00 C ATOM 251 CE2 TYR A 16 0.345 2.746 -5.968 1.00 0.00 C ATOM 252 CZ TYR A 16 1.500 3.472 -5.689 1.00 0.00 C ATOM 253 OH TYR A 16 2.311 3.094 -4.657 1.00 0.00 O ATOM 0 H TYR A 16 -2.612 4.747 -10.918 1.00 0.00 H new ATOM 0 HA TYR A 16 0.144 4.853 -10.742 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.154 5.758 -8.944 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.077 4.282 -8.744 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.262 5.836 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.377 2.569 -7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.724 5.147 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.092 1.883 -5.370 1.00 0.00 H new ATOM 0 HH TYR A 16 2.248 3.752 -3.933 1.00 0.00 H new ATOM 263 N ILE A 17 -1.126 1.852 -10.082 1.00 0.18 N ATOM 264 CA ILE A 17 -0.801 0.434 -9.980 1.00 0.19 C ATOM 265 C ILE A 17 -0.315 -0.112 -11.319 1.00 0.16 C ATOM 266 O ILE A 17 0.559 -0.978 -11.367 1.00 0.20 O ATOM 267 CB ILE A 17 -2.015 -0.391 -9.496 1.00 0.20 C ATOM 268 CG1 ILE A 17 -1.648 -1.198 -8.249 1.00 1.14 C ATOM 269 CG2 ILE A 17 -2.519 -1.312 -10.599 1.00 1.12 C ATOM 270 CD1 ILE A 17 -2.848 -1.745 -7.509 1.00 1.95 C ATOM 0 H ILE A 17 -2.118 2.066 -9.983 1.00 0.18 H new ATOM 0 HA ILE A 17 -0.002 0.341 -9.245 1.00 0.19 H new ATOM 0 HB ILE A 17 -2.817 0.301 -9.239 1.00 0.20 H new ATOM 0 HG12 ILE A 17 -1.002 -2.026 -8.539 1.00 1.14 H new ATOM 0 HG13 ILE A 17 -1.072 -0.566 -7.573 1.00 1.14 H new ATOM 0 HG21 ILE A 17 -3.374 -1.882 -10.235 1.00 1.12 H new ATOM 0 HG22 ILE A 17 -2.821 -0.717 -11.461 1.00 1.12 H new ATOM 0 HG23 ILE A 17 -1.724 -1.997 -10.892 1.00 1.12 H new ATOM 0 HD11 ILE A 17 -2.513 -2.306 -6.637 1.00 1.95 H new ATOM 0 HD12 ILE A 17 -3.484 -0.920 -7.188 1.00 1.95 H new ATOM 0 HD13 ILE A 17 -3.413 -2.404 -8.169 1.00 1.95 H new ATOM 282 N HIS A 18 -0.887 0.400 -12.406 1.00 0.10 N ATOM 283 CA HIS A 18 -0.511 -0.035 -13.746 1.00 0.08 C ATOM 284 C HIS A 18 0.961 0.255 -14.017 1.00 0.07 C ATOM 285 O HIS A 18 1.659 -0.550 -14.633 1.00 0.10 O ATOM 286 CB HIS A 18 -1.381 0.664 -14.793 1.00 0.07 C ATOM 287 CG HIS A 18 -0.923 0.443 -16.201 1.00 0.34 C ATOM 288 ND1 HIS A 18 -1.109 1.367 -17.206 1.00 0.86 N ATOM 289 CD2 HIS A 18 -0.285 -0.608 -16.772 1.00 1.00 C ATOM 290 CE1 HIS A 18 -0.608 0.897 -18.335 1.00 0.93 C ATOM 291 NE2 HIS A 18 -0.102 -0.299 -18.097 1.00 1.00 N ATOM 0 H HIS A 18 -1.613 1.117 -12.384 1.00 0.10 H new ATOM 0 HA HIS A 18 -0.669 -1.111 -13.811 1.00 0.08 H new ATOM 0 HB2 HIS A 18 -2.407 0.310 -14.694 1.00 0.07 H new ATOM 0 HB3 HIS A 18 -1.392 1.734 -14.588 1.00 0.07 H new ATOM 0 HD2 HIS A 18 0.022 -1.518 -16.277 1.00 1.00 H new ATOM 0 HE1 HIS A 18 -0.612 1.404 -19.289 1.00 0.93 H new ATOM 0 HE2 HIS A 18 0.352 -0.897 -18.787 1.00 1.00 H new ATOM 299 N TYR A 19 1.423 1.410 -13.553 1.00 0.07 N ATOM 300 CA TYR A 19 2.812 1.809 -13.744 1.00 0.07 C ATOM 301 C TYR A 19 3.751 0.921 -12.935 1.00 0.07 C ATOM 302 O TYR A 19 4.833 0.560 -13.398 1.00 0.08 O ATOM 303 CB TYR A 19 3.003 3.273 -13.346 1.00 0.08 C ATOM 304 CG TYR A 19 4.080 3.981 -14.136 1.00 1.15 C ATOM 305 CD1 TYR A 19 4.107 3.914 -15.524 1.00 1.73 C ATOM 306 CD2 TYR A 19 5.071 4.716 -13.496 1.00 1.95 C ATOM 307 CE1 TYR A 19 5.089 4.558 -16.251 1.00 2.68 C ATOM 308 CE2 TYR A 19 6.057 5.364 -14.217 1.00 2.93 C ATOM 309 CZ TYR A 19 6.061 5.281 -15.593 1.00 3.20 C ATOM 310 OH TYR A 19 7.041 5.923 -16.316 1.00 4.21 O ATOM 0 H TYR A 19 0.856 2.087 -13.042 1.00 0.07 H new ATOM 0 HA TYR A 19 3.055 1.693 -14.800 1.00 0.07 H new ATOM 0 HB2 TYR A 19 2.060 3.803 -13.479 1.00 0.08 H new ATOM 0 HB3 TYR A 19 3.250 3.323 -12.286 1.00 0.08 H new ATOM 0 HD1 TYR A 19 3.347 3.349 -16.043 1.00 1.73 H new ATOM 0 HD2 TYR A 19 5.071 4.782 -12.418 1.00 1.95 H new ATOM 0 HE1 TYR A 19 5.095 4.496 -17.329 1.00 2.68 H new ATOM 0 HE2 TYR A 19 6.820 5.932 -13.705 1.00 2.93 H new ATOM 0 HH TYR A 19 7.648 6.388 -15.703 1.00 4.21 H new ATOM 320 N LYS A 20 3.329 0.569 -11.725 1.00 0.06 N ATOM 321 CA LYS A 20 4.135 -0.279 -10.855 1.00 0.06 C ATOM 322 C LYS A 20 4.457 -1.604 -11.538 1.00 0.06 C ATOM 323 O LYS A 20 5.583 -2.094 -11.465 1.00 0.09 O ATOM 324 CB LYS A 20 3.403 -0.536 -9.536 1.00 0.07 C ATOM 325 CG LYS A 20 4.110 0.050 -8.324 1.00 0.71 C ATOM 326 CD LYS A 20 4.105 -0.920 -7.154 1.00 0.90 C ATOM 327 CE LYS A 20 4.391 -0.209 -5.840 1.00 1.59 C ATOM 328 NZ LYS A 20 3.324 0.769 -5.492 1.00 2.70 N ATOM 0 H LYS A 20 2.436 0.857 -11.326 1.00 0.06 H new ATOM 0 HA LYS A 20 5.070 0.240 -10.647 1.00 0.06 H new ATOM 0 HB2 LYS A 20 2.399 -0.116 -9.599 1.00 0.07 H new ATOM 0 HB3 LYS A 20 3.290 -1.611 -9.396 1.00 0.07 H new ATOM 0 HG2 LYS A 20 5.138 0.300 -8.587 1.00 0.71 H new ATOM 0 HG3 LYS A 20 3.621 0.979 -8.030 1.00 0.71 H new ATOM 0 HD2 LYS A 20 3.137 -1.418 -7.097 1.00 0.90 H new ATOM 0 HD3 LYS A 20 4.853 -1.696 -7.320 1.00 0.90 H new ATOM 0 HE2 LYS A 20 4.482 -0.945 -5.042 1.00 1.59 H new ATOM 0 HE3 LYS A 20 5.348 0.308 -5.908 1.00 1.59 H new ATOM 0 HZ1 LYS A 20 3.718 1.731 -5.503 1.00 2.70 H new ATOM 0 HZ2 LYS A 20 2.552 0.703 -6.186 1.00 2.70 H new ATOM 0 HZ3 LYS A 20 2.955 0.557 -4.543 1.00 2.70 H new ATOM 342 N LEU A 21 3.459 -2.176 -12.204 1.00 0.06 N ATOM 343 CA LEU A 21 3.634 -3.443 -12.904 1.00 0.06 C ATOM 344 C LEU A 21 4.465 -3.254 -14.169 1.00 0.06 C ATOM 345 O LEU A 21 5.254 -4.123 -14.540 1.00 0.13 O ATOM 346 CB LEU A 21 2.275 -4.049 -13.254 1.00 0.07 C ATOM 347 CG LEU A 21 1.703 -5.002 -12.204 1.00 0.81 C ATOM 348 CD1 LEU A 21 0.996 -4.224 -11.106 1.00 1.69 C ATOM 349 CD2 LEU A 21 0.753 -6.000 -12.848 1.00 1.32 C ATOM 0 H LEU A 21 2.521 -1.782 -12.274 1.00 0.06 H new ATOM 0 HA LEU A 21 4.166 -4.126 -12.242 1.00 0.06 H new ATOM 0 HB2 LEU A 21 1.563 -3.239 -13.414 1.00 0.07 H new ATOM 0 HB3 LEU A 21 2.365 -4.585 -14.199 1.00 0.07 H new ATOM 0 HG LEU A 21 2.529 -5.555 -11.756 1.00 0.81 H new ATOM 0 HD11 LEU A 21 0.595 -4.919 -10.368 1.00 1.69 H new ATOM 0 HD12 LEU A 21 1.704 -3.550 -10.623 1.00 1.69 H new ATOM 0 HD13 LEU A 21 0.181 -3.644 -11.538 1.00 1.69 H new ATOM 0 HD21 LEU A 21 0.356 -6.669 -12.085 1.00 1.32 H new ATOM 0 HD22 LEU A 21 -0.069 -5.465 -13.324 1.00 1.32 H new ATOM 0 HD23 LEU A 21 1.290 -6.582 -13.597 1.00 1.32 H new ATOM 361 N SER A 22 4.281 -2.114 -14.827 1.00 0.05 N ATOM 362 CA SER A 22 5.014 -1.811 -16.051 1.00 0.05 C ATOM 363 C SER A 22 6.517 -1.943 -15.829 1.00 0.04 C ATOM 364 O SER A 22 7.244 -2.418 -16.701 1.00 0.04 O ATOM 365 CB SER A 22 4.679 -0.398 -16.535 1.00 0.07 C ATOM 366 OG SER A 22 5.711 0.513 -16.200 1.00 1.18 O ATOM 0 H SER A 22 3.631 -1.385 -14.533 1.00 0.05 H new ATOM 0 HA SER A 22 4.713 -2.529 -16.814 1.00 0.05 H new ATOM 0 HB2 SER A 22 4.532 -0.405 -17.615 1.00 0.07 H new ATOM 0 HB3 SER A 22 3.741 -0.070 -16.088 1.00 0.07 H new ATOM 0 HG SER A 22 5.660 0.729 -15.245 1.00 1.18 H new ATOM 372 N GLN A 23 6.975 -1.523 -14.654 1.00 0.04 N ATOM 373 CA GLN A 23 8.391 -1.597 -14.314 1.00 0.04 C ATOM 374 C GLN A 23 8.929 -3.007 -14.536 1.00 0.05 C ATOM 375 O GLN A 23 10.084 -3.190 -14.918 1.00 0.10 O ATOM 376 CB GLN A 23 8.608 -1.178 -12.859 1.00 0.08 C ATOM 377 CG GLN A 23 10.004 -1.478 -12.340 1.00 0.98 C ATOM 378 CD GLN A 23 10.183 -1.074 -10.891 1.00 1.78 C ATOM 379 OE1 GLN A 23 10.995 -0.205 -10.572 1.00 2.40 O ATOM 380 NE2 GLN A 23 9.421 -1.702 -10.003 1.00 2.61 N ATOM 0 H GLN A 23 6.386 -1.128 -13.921 1.00 0.04 H new ATOM 0 HA GLN A 23 8.934 -0.913 -14.967 1.00 0.04 H new ATOM 0 HB2 GLN A 23 8.417 -0.109 -12.765 1.00 0.08 H new ATOM 0 HB3 GLN A 23 7.878 -1.688 -12.230 1.00 0.08 H new ATOM 0 HG2 GLN A 23 10.206 -2.544 -12.444 1.00 0.98 H new ATOM 0 HG3 GLN A 23 10.737 -0.954 -12.953 1.00 0.98 H new ATOM 0 HE21 GLN A 23 8.761 -2.416 -10.312 1.00 2.61 H new ATOM 0 HE22 GLN A 23 9.496 -1.470 -9.012 1.00 2.61 H new ATOM 389 N ARG A 24 8.079 -3.999 -14.294 1.00 0.04 N ATOM 390 CA ARG A 24 8.463 -5.396 -14.468 1.00 0.05 C ATOM 391 C ARG A 24 8.209 -5.866 -15.900 1.00 0.05 C ATOM 392 O ARG A 24 8.844 -6.809 -16.373 1.00 0.05 O ATOM 393 CB ARG A 24 7.692 -6.281 -13.487 1.00 0.08 C ATOM 394 CG ARG A 24 8.581 -7.194 -12.660 1.00 1.17 C ATOM 395 CD ARG A 24 9.104 -6.487 -11.421 1.00 1.80 C ATOM 396 NE ARG A 24 9.761 -7.410 -10.500 1.00 2.48 N ATOM 397 CZ ARG A 24 10.112 -7.092 -9.255 1.00 3.02 C ATOM 398 NH1 ARG A 24 9.866 -5.878 -8.774 1.00 3.11 N ATOM 399 NH2 ARG A 24 10.708 -7.994 -8.488 1.00 4.02 N ATOM 0 H ARG A 24 7.119 -3.862 -13.977 1.00 0.04 H new ATOM 0 HA ARG A 24 9.531 -5.478 -14.266 1.00 0.05 H new ATOM 0 HB2 ARG A 24 7.114 -5.646 -12.816 1.00 0.08 H new ATOM 0 HB3 ARG A 24 6.979 -6.889 -14.043 1.00 0.08 H new ATOM 0 HG2 ARG A 24 8.020 -8.081 -12.365 1.00 1.17 H new ATOM 0 HG3 ARG A 24 9.420 -7.535 -13.267 1.00 1.17 H new ATOM 0 HD2 ARG A 24 9.807 -5.709 -11.718 1.00 1.80 H new ATOM 0 HD3 ARG A 24 8.278 -5.992 -10.910 1.00 1.80 H new ATOM 0 HE ARG A 24 9.963 -8.354 -10.829 1.00 2.48 H new ATOM 0 HH11 ARG A 24 9.405 -5.181 -9.359 1.00 3.11 H new ATOM 0 HH12 ARG A 24 10.138 -5.643 -7.820 1.00 3.11 H new ATOM 0 HH21 ARG A 24 10.896 -8.928 -8.852 1.00 4.02 H new ATOM 0 HH22 ARG A 24 10.978 -7.754 -7.534 1.00 4.02 H new ATOM 413 N GLY A 25 7.276 -5.209 -16.584 1.00 0.04 N ATOM 414 CA GLY A 25 6.957 -5.583 -17.950 1.00 0.04 C ATOM 415 C GLY A 25 5.715 -6.456 -18.056 1.00 0.04 C ATOM 416 O GLY A 25 5.397 -6.952 -19.137 1.00 0.07 O ATOM 0 H GLY A 25 6.736 -4.425 -16.217 1.00 0.04 H new ATOM 0 HA2 GLY A 25 6.811 -4.680 -18.543 1.00 0.04 H new ATOM 0 HA3 GLY A 25 7.805 -6.114 -18.382 1.00 0.04 H new ATOM 420 N TYR A 26 5.008 -6.646 -16.942 1.00 0.05 N ATOM 421 CA TYR A 26 3.802 -7.464 -16.936 1.00 0.06 C ATOM 422 C TYR A 26 2.640 -6.724 -17.591 1.00 0.07 C ATOM 423 O TYR A 26 2.199 -5.683 -17.101 1.00 0.15 O ATOM 424 CB TYR A 26 3.430 -7.851 -15.504 1.00 0.06 C ATOM 425 CG TYR A 26 3.639 -9.317 -15.199 1.00 0.79 C ATOM 426 CD1 TYR A 26 4.834 -9.948 -15.521 1.00 1.80 C ATOM 427 CD2 TYR A 26 2.643 -10.067 -14.590 1.00 1.50 C ATOM 428 CE1 TYR A 26 5.029 -11.288 -15.246 1.00 2.39 C ATOM 429 CE2 TYR A 26 2.831 -11.408 -14.312 1.00 2.03 C ATOM 430 CZ TYR A 26 4.025 -12.013 -14.642 1.00 2.23 C ATOM 431 OH TYR A 26 4.215 -13.347 -14.368 1.00 2.94 O ATOM 0 H TYR A 26 5.251 -6.245 -16.036 1.00 0.05 H new ATOM 0 HA TYR A 26 4.004 -8.369 -17.509 1.00 0.06 H new ATOM 0 HB2 TYR A 26 4.024 -7.256 -14.810 1.00 0.06 H new ATOM 0 HB3 TYR A 26 2.385 -7.597 -15.328 1.00 0.06 H new ATOM 0 HD1 TYR A 26 5.623 -9.382 -15.994 1.00 1.80 H new ATOM 0 HD2 TYR A 26 1.707 -9.596 -14.329 1.00 1.50 H new ATOM 0 HE1 TYR A 26 5.963 -11.765 -15.503 1.00 2.39 H new ATOM 0 HE2 TYR A 26 2.046 -11.979 -13.838 1.00 2.03 H new ATOM 0 HH TYR A 26 3.412 -13.711 -13.941 1.00 2.94 H new ATOM 441 N GLU A 27 2.149 -7.267 -18.698 1.00 0.09 N ATOM 442 CA GLU A 27 1.037 -6.657 -19.419 1.00 0.10 C ATOM 443 C GLU A 27 -0.272 -6.851 -18.660 1.00 0.09 C ATOM 444 O GLU A 27 -1.173 -7.550 -19.124 1.00 0.11 O ATOM 445 CB GLU A 27 0.921 -7.256 -20.822 1.00 0.11 C ATOM 446 CG GLU A 27 2.262 -7.582 -21.460 1.00 1.35 C ATOM 447 CD GLU A 27 2.334 -7.155 -22.912 1.00 2.03 C ATOM 448 OE1 GLU A 27 2.396 -5.935 -23.171 1.00 2.79 O ATOM 449 OE2 GLU A 27 2.331 -8.041 -23.792 1.00 2.29 O ATOM 0 H GLU A 27 2.502 -8.128 -19.116 1.00 0.09 H new ATOM 0 HA GLU A 27 1.233 -5.588 -19.504 1.00 0.10 H new ATOM 0 HB2 GLU A 27 0.322 -8.165 -20.771 1.00 0.11 H new ATOM 0 HB3 GLU A 27 0.384 -6.557 -21.463 1.00 0.11 H new ATOM 0 HG2 GLU A 27 3.056 -7.089 -20.900 1.00 1.35 H new ATOM 0 HG3 GLU A 27 2.442 -8.655 -21.391 1.00 1.35 H new ATOM 456 N TRP A 28 -0.368 -6.228 -17.491 1.00 0.11 N ATOM 457 CA TRP A 28 -1.566 -6.332 -16.665 1.00 0.13 C ATOM 458 C TRP A 28 -2.821 -6.074 -17.488 1.00 0.12 C ATOM 459 O TRP A 28 -3.001 -4.987 -18.037 1.00 0.16 O ATOM 460 CB TRP A 28 -1.493 -5.341 -15.503 1.00 0.15 C ATOM 461 CG TRP A 28 -2.759 -5.260 -14.705 1.00 0.19 C ATOM 462 CD1 TRP A 28 -3.584 -6.294 -14.365 1.00 0.49 C ATOM 463 CD2 TRP A 28 -3.344 -4.079 -14.147 1.00 0.35 C ATOM 464 NE1 TRP A 28 -4.646 -5.827 -13.628 1.00 0.54 N ATOM 465 CE2 TRP A 28 -4.520 -4.470 -13.480 1.00 0.41 C ATOM 466 CE3 TRP A 28 -2.985 -2.728 -14.144 1.00 0.69 C ATOM 467 CZ2 TRP A 28 -5.339 -3.558 -12.819 1.00 0.59 C ATOM 468 CZ3 TRP A 28 -3.800 -1.824 -13.487 1.00 0.93 C ATOM 469 CH2 TRP A 28 -4.964 -2.243 -12.833 1.00 0.83 C ATOM 0 H TRP A 28 0.369 -5.646 -17.094 1.00 0.11 H new ATOM 0 HA TRP A 28 -1.617 -7.346 -16.269 1.00 0.13 H new ATOM 0 HB2 TRP A 28 -0.674 -5.627 -14.843 1.00 0.15 H new ATOM 0 HB3 TRP A 28 -1.256 -4.352 -15.894 1.00 0.15 H new ATOM 0 HD1 TRP A 28 -3.425 -7.327 -14.636 1.00 0.49 H new ATOM 0 HE1 TRP A 28 -5.404 -6.397 -13.253 1.00 0.54 H new ATOM 0 HE3 TRP A 28 -2.088 -2.396 -14.645 1.00 0.69 H new ATOM 0 HZ2 TRP A 28 -6.238 -3.878 -12.313 1.00 0.59 H new ATOM 0 HZ3 TRP A 28 -3.534 -0.777 -13.479 1.00 0.93 H new ATOM 0 HH2 TRP A 28 -5.579 -1.512 -12.329 1.00 0.83 H new ATOM 480 N ASP A 29 -3.689 -7.078 -17.568 1.00 0.27 N ATOM 481 CA ASP A 29 -4.930 -6.954 -18.322 1.00 0.31 C ATOM 482 C ASP A 29 -5.898 -6.016 -17.608 1.00 0.26 C ATOM 483 O ASP A 29 -6.946 -6.438 -17.117 1.00 0.30 O ATOM 484 CB ASP A 29 -5.573 -8.328 -18.520 1.00 0.45 C ATOM 485 CG ASP A 29 -5.297 -8.902 -19.897 1.00 0.97 C ATOM 486 OD1 ASP A 29 -4.131 -9.262 -20.167 1.00 1.95 O ATOM 487 OD2 ASP A 29 -6.246 -8.994 -20.703 1.00 1.49 O ATOM 0 H ASP A 29 -3.555 -7.985 -17.120 1.00 0.27 H new ATOM 0 HA ASP A 29 -4.698 -6.533 -19.300 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -5.198 -9.015 -17.761 1.00 0.45 H new ATOM 0 HB3 ASP A 29 -6.650 -8.247 -18.372 1.00 0.45 H new ATOM 492 N ALA A 30 -5.535 -4.739 -17.551 1.00 0.20 N ATOM 493 CA ALA A 30 -6.359 -3.735 -16.895 1.00 0.17 C ATOM 494 C ALA A 30 -7.591 -3.399 -17.729 1.00 0.16 C ATOM 495 O ALA A 30 -8.694 -3.858 -17.436 1.00 0.17 O ATOM 496 CB ALA A 30 -5.541 -2.481 -16.627 1.00 0.13 C ATOM 0 H ALA A 30 -4.671 -4.376 -17.954 1.00 0.20 H new ATOM 0 HA ALA A 30 -6.702 -4.145 -15.945 1.00 0.17 H new ATOM 0 HB1 ALA A 30 -6.167 -1.736 -16.136 1.00 0.13 H new ATOM 0 HB2 ALA A 30 -4.697 -2.728 -15.982 1.00 0.13 H new ATOM 0 HB3 ALA A 30 -5.171 -2.079 -17.570 1.00 0.13 H new ATOM 502 N GLY A 31 -7.396 -2.593 -18.768 1.00 0.15 N ATOM 503 CA GLY A 31 -8.502 -2.210 -19.626 1.00 0.14 C ATOM 504 C GLY A 31 -8.993 -3.355 -20.491 1.00 0.14 C ATOM 505 O GLY A 31 -8.808 -3.344 -21.708 1.00 0.21 O ATOM 0 H GLY A 31 -6.493 -2.199 -19.031 1.00 0.15 H new ATOM 0 HA2 GLY A 31 -9.325 -1.846 -19.011 1.00 0.14 H new ATOM 0 HA3 GLY A 31 -8.192 -1.384 -20.265 1.00 0.14 H new ATOM 509 N ASP A 32 -9.621 -4.344 -19.864 1.00 0.09 N ATOM 510 CA ASP A 32 -10.140 -5.499 -20.587 1.00 0.08 C ATOM 511 C ASP A 32 -10.958 -5.061 -21.799 1.00 0.08 C ATOM 512 O ASP A 32 -11.017 -5.766 -22.807 1.00 0.09 O ATOM 513 CB ASP A 32 -11.000 -6.364 -19.662 1.00 0.08 C ATOM 514 CG ASP A 32 -12.388 -6.607 -20.221 1.00 1.34 C ATOM 515 OD1 ASP A 32 -13.197 -5.656 -20.236 1.00 1.91 O ATOM 516 OD2 ASP A 32 -12.666 -7.749 -20.645 1.00 2.14 O ATOM 0 H ASP A 32 -9.783 -4.369 -18.857 1.00 0.09 H new ATOM 0 HA ASP A 32 -9.292 -6.087 -20.937 1.00 0.08 H new ATOM 0 HB2 ASP A 32 -10.504 -7.321 -19.500 1.00 0.08 H new ATOM 0 HB3 ASP A 32 -11.083 -5.879 -18.689 1.00 0.08 H new ATOM 521 N ASP A 33 -11.588 -3.894 -21.695 1.00 0.08 N ATOM 522 CA ASP A 33 -12.402 -3.365 -22.784 1.00 0.08 C ATOM 523 C ASP A 33 -11.533 -2.671 -23.828 1.00 0.10 C ATOM 524 O ASP A 33 -11.685 -1.477 -24.083 1.00 0.17 O ATOM 525 CB ASP A 33 -13.445 -2.388 -22.238 1.00 0.08 C ATOM 526 CG ASP A 33 -14.558 -2.111 -23.230 1.00 0.68 C ATOM 527 OD1 ASP A 33 -15.500 -2.927 -23.306 1.00 1.48 O ATOM 528 OD2 ASP A 33 -14.487 -1.079 -23.929 1.00 1.40 O ATOM 0 H ASP A 33 -11.550 -3.298 -20.868 1.00 0.08 H new ATOM 0 HA ASP A 33 -12.912 -4.201 -23.263 1.00 0.08 H new ATOM 0 HB2 ASP A 33 -13.873 -2.793 -21.321 1.00 0.08 H new ATOM 0 HB3 ASP A 33 -12.956 -1.450 -21.974 1.00 0.08 H new ATOM 533 N VAL A 34 -10.621 -3.429 -24.431 1.00 0.03 N ATOM 534 CA VAL A 34 -9.727 -2.886 -25.449 1.00 0.03 C ATOM 535 C VAL A 34 -10.421 -2.799 -26.805 1.00 0.04 C ATOM 536 O VAL A 34 -10.080 -3.527 -27.737 1.00 0.05 O ATOM 537 CB VAL A 34 -8.454 -3.741 -25.592 1.00 0.03 C ATOM 538 CG1 VAL A 34 -8.808 -5.174 -25.957 1.00 1.01 C ATOM 539 CG2 VAL A 34 -7.516 -3.133 -26.626 1.00 1.01 C ATOM 0 H VAL A 34 -10.482 -4.420 -24.232 1.00 0.03 H new ATOM 0 HA VAL A 34 -9.450 -1.884 -25.122 1.00 0.03 H new ATOM 0 HB VAL A 34 -7.939 -3.755 -24.632 1.00 0.03 H new ATOM 0 HG11 VAL A 34 -7.895 -5.761 -26.053 1.00 1.01 H new ATOM 0 HG12 VAL A 34 -9.435 -5.604 -25.176 1.00 1.01 H new ATOM 0 HG13 VAL A 34 -9.348 -5.186 -26.904 1.00 1.01 H new ATOM 0 HG21 VAL A 34 -6.622 -3.750 -26.714 1.00 1.01 H new ATOM 0 HG22 VAL A 34 -8.020 -3.085 -27.591 1.00 1.01 H new ATOM 0 HG23 VAL A 34 -7.233 -2.127 -26.314 1.00 1.01 H new ATOM 549 N GLU A 35 -11.396 -1.902 -26.910 1.00 0.04 N ATOM 550 CA GLU A 35 -12.133 -1.719 -28.154 1.00 0.05 C ATOM 551 C GLU A 35 -12.071 -0.266 -28.616 1.00 0.08 C ATOM 552 O GLU A 35 -13.002 0.235 -29.247 1.00 0.20 O ATOM 553 CB GLU A 35 -13.591 -2.148 -27.973 1.00 0.05 C ATOM 554 CG GLU A 35 -14.393 -1.207 -27.090 1.00 1.32 C ATOM 555 CD GLU A 35 -15.847 -1.618 -26.971 1.00 2.00 C ATOM 556 OE1 GLU A 35 -16.252 -2.577 -27.661 1.00 2.50 O ATOM 557 OE2 GLU A 35 -16.583 -0.978 -26.189 1.00 2.71 O ATOM 0 H GLU A 35 -11.694 -1.291 -26.149 1.00 0.04 H new ATOM 0 HA GLU A 35 -11.669 -2.343 -28.918 1.00 0.05 H new ATOM 0 HB2 GLU A 35 -14.067 -2.210 -28.951 1.00 0.05 H new ATOM 0 HB3 GLU A 35 -13.616 -3.149 -27.542 1.00 0.05 H new ATOM 0 HG2 GLU A 35 -13.945 -1.177 -26.097 1.00 1.32 H new ATOM 0 HG3 GLU A 35 -14.337 -0.197 -27.496 1.00 1.32 H new ATOM 564 N GLU A 36 -10.968 0.404 -28.299 1.00 0.06 N ATOM 565 CA GLU A 36 -10.784 1.798 -28.682 1.00 0.04 C ATOM 566 C GLU A 36 -11.879 2.677 -28.089 1.00 0.04 C ATOM 567 O GLU A 36 -12.907 2.918 -28.722 1.00 0.10 O ATOM 568 CB GLU A 36 -10.771 1.933 -30.205 1.00 0.06 C ATOM 569 CG GLU A 36 -9.874 3.052 -30.706 1.00 1.38 C ATOM 570 CD GLU A 36 -9.091 2.661 -31.944 1.00 2.18 C ATOM 571 OE1 GLU A 36 -9.719 2.220 -32.929 1.00 2.57 O ATOM 572 OE2 GLU A 36 -7.849 2.795 -31.927 1.00 3.05 O ATOM 0 H GLU A 36 -10.188 0.003 -27.778 1.00 0.06 H new ATOM 0 HA GLU A 36 -9.825 2.133 -28.287 1.00 0.04 H new ATOM 0 HB2 GLU A 36 -10.442 0.991 -30.643 1.00 0.06 H new ATOM 0 HB3 GLU A 36 -11.788 2.109 -30.555 1.00 0.06 H new ATOM 0 HG2 GLU A 36 -10.482 3.929 -30.927 1.00 1.38 H new ATOM 0 HG3 GLU A 36 -9.179 3.337 -29.916 1.00 1.38 H new ATOM 579 N ASN A 37 -11.651 3.154 -26.869 1.00 0.05 N ATOM 580 CA ASN A 37 -12.618 4.007 -26.189 1.00 0.03 C ATOM 581 C ASN A 37 -12.125 5.450 -26.127 1.00 0.05 C ATOM 582 O ASN A 37 -11.245 5.781 -25.333 1.00 0.09 O ATOM 583 CB ASN A 37 -12.881 3.488 -24.774 1.00 0.03 C ATOM 584 CG ASN A 37 -13.106 1.990 -24.740 1.00 1.26 C ATOM 585 OD1 ASN A 37 -12.284 1.215 -25.229 1.00 2.06 O ATOM 586 ND2 ASN A 37 -14.224 1.574 -24.158 1.00 1.86 N ATOM 0 H ASN A 37 -10.805 2.964 -26.332 1.00 0.05 H new ATOM 0 HA ASN A 37 -13.547 3.983 -26.758 1.00 0.03 H new ATOM 0 HB2 ASN A 37 -12.035 3.740 -24.135 1.00 0.03 H new ATOM 0 HB3 ASN A 37 -13.754 3.993 -24.361 1.00 0.03 H new ATOM 0 HD21 ASN A 37 -14.430 0.576 -24.103 1.00 1.86 H new ATOM 0 HD22 ASN A 37 -14.877 2.252 -23.766 1.00 1.86 H new ATOM 593 N ARG A 38 -12.699 6.302 -26.968 1.00 0.04 N ATOM 594 CA ARG A 38 -12.318 7.710 -27.006 1.00 0.05 C ATOM 595 C ARG A 38 -13.128 8.522 -26.001 1.00 0.04 C ATOM 596 O ARG A 38 -12.586 9.035 -25.022 1.00 0.16 O ATOM 597 CB ARG A 38 -12.514 8.276 -28.414 1.00 0.09 C ATOM 598 CG ARG A 38 -11.635 9.478 -28.716 1.00 1.08 C ATOM 599 CD ARG A 38 -10.842 9.278 -29.998 1.00 1.96 C ATOM 600 NE ARG A 38 -9.892 8.175 -29.885 1.00 2.52 N ATOM 601 CZ ARG A 38 -9.083 7.786 -30.867 1.00 3.42 C ATOM 602 NH1 ARG A 38 -9.102 8.407 -32.042 1.00 3.90 N ATOM 603 NH2 ARG A 38 -8.250 6.773 -30.675 1.00 4.24 N ATOM 0 H ARG A 38 -13.429 6.044 -27.632 1.00 0.04 H new ATOM 0 HA ARG A 38 -11.264 7.782 -26.737 1.00 0.05 H new ATOM 0 HB2 ARG A 38 -12.307 7.493 -29.143 1.00 0.09 H new ATOM 0 HB3 ARG A 38 -13.559 8.560 -28.540 1.00 0.09 H new ATOM 0 HG2 ARG A 38 -12.255 10.370 -28.805 1.00 1.08 H new ATOM 0 HG3 ARG A 38 -10.950 9.647 -27.885 1.00 1.08 H new ATOM 0 HD2 ARG A 38 -11.528 9.083 -30.822 1.00 1.96 H new ATOM 0 HD3 ARG A 38 -10.306 10.196 -30.240 1.00 1.96 H new ATOM 0 HE ARG A 38 -9.846 7.672 -28.999 1.00 2.52 H new ATOM 0 HH11 ARG A 38 -9.740 9.188 -32.196 1.00 3.90 H new ATOM 0 HH12 ARG A 38 -8.479 8.103 -32.790 1.00 3.90 H new ATOM 0 HH21 ARG A 38 -8.230 6.293 -29.775 1.00 4.24 H new ATOM 0 HH22 ARG A 38 -7.629 6.474 -31.427 1.00 4.24 H new ATOM 617 N THR A 39 -14.430 8.633 -26.250 1.00 0.10 N ATOM 618 CA THR A 39 -15.318 9.382 -25.369 1.00 0.08 C ATOM 619 C THR A 39 -15.041 10.880 -25.457 1.00 0.08 C ATOM 620 O THR A 39 -15.877 11.649 -25.935 1.00 0.10 O ATOM 621 CB THR A 39 -15.162 8.905 -23.923 1.00 0.06 C ATOM 622 OG1 THR A 39 -14.787 7.539 -23.883 1.00 1.17 O ATOM 623 CG2 THR A 39 -16.424 9.058 -23.103 1.00 1.27 C ATOM 0 H THR A 39 -14.893 8.213 -27.056 1.00 0.10 H new ATOM 0 HA THR A 39 -16.343 9.202 -25.694 1.00 0.08 H new ATOM 0 HB THR A 39 -14.388 9.540 -23.492 1.00 0.06 H new ATOM 0 HG1 THR A 39 -14.691 7.253 -22.951 1.00 1.17 H new ATOM 0 HG21 THR A 39 -16.244 8.701 -22.089 1.00 1.27 H new ATOM 0 HG22 THR A 39 -16.713 10.109 -23.072 1.00 1.27 H new ATOM 0 HG23 THR A 39 -17.225 8.474 -23.556 1.00 1.27 H new ATOM 631 N GLU A 40 -13.865 11.288 -24.994 1.00 0.06 N ATOM 632 CA GLU A 40 -13.476 12.694 -25.017 1.00 0.06 C ATOM 633 C GLU A 40 -11.964 12.834 -25.163 1.00 0.06 C ATOM 634 O GLU A 40 -11.364 13.770 -24.635 1.00 0.17 O ATOM 635 CB GLU A 40 -13.948 13.392 -23.740 1.00 0.07 C ATOM 636 CG GLU A 40 -14.207 14.881 -23.915 1.00 1.25 C ATOM 637 CD GLU A 40 -13.174 15.750 -23.221 1.00 2.16 C ATOM 638 OE1 GLU A 40 -12.143 15.208 -22.771 1.00 2.88 O ATOM 639 OE2 GLU A 40 -13.399 16.975 -23.127 1.00 2.71 O ATOM 0 H GLU A 40 -13.163 10.664 -24.597 1.00 0.06 H new ATOM 0 HA GLU A 40 -13.950 13.168 -25.877 1.00 0.06 H new ATOM 0 HB2 GLU A 40 -14.862 12.912 -23.391 1.00 0.07 H new ATOM 0 HB3 GLU A 40 -13.198 13.252 -22.962 1.00 0.07 H new ATOM 0 HG2 GLU A 40 -14.218 15.119 -24.979 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -15.196 15.120 -23.524 1.00 1.25 H new ATOM 646 N ALA A 41 -11.354 11.899 -25.882 1.00 0.07 N ATOM 647 CA ALA A 41 -9.911 11.919 -26.096 1.00 0.07 C ATOM 648 C ALA A 41 -9.159 11.660 -24.794 1.00 0.05 C ATOM 649 O ALA A 41 -9.655 11.957 -23.707 1.00 0.05 O ATOM 650 CB ALA A 41 -9.482 13.250 -26.697 1.00 0.08 C ATOM 0 H ALA A 41 -11.836 11.118 -26.327 1.00 0.07 H new ATOM 0 HA ALA A 41 -9.663 11.120 -26.795 1.00 0.07 H new ATOM 0 HB1 ALA A 41 -8.403 13.249 -26.851 1.00 0.08 H new ATOM 0 HB2 ALA A 41 -9.984 13.396 -27.653 1.00 0.08 H new ATOM 0 HB3 ALA A 41 -9.751 14.059 -26.018 1.00 0.08 H new ATOM 656 N PRO A 42 -7.945 11.101 -24.894 1.00 0.07 N ATOM 657 CA PRO A 42 -7.110 10.798 -23.727 1.00 0.05 C ATOM 658 C PRO A 42 -6.551 12.054 -23.064 1.00 0.03 C ATOM 659 O PRO A 42 -6.192 12.036 -21.887 1.00 0.05 O ATOM 660 CB PRO A 42 -5.974 9.959 -24.314 1.00 0.05 C ATOM 661 CG PRO A 42 -5.885 10.386 -25.738 1.00 0.07 C ATOM 662 CD PRO A 42 -7.290 10.723 -26.159 1.00 0.12 C ATOM 0 HA PRO A 42 -7.677 10.293 -22.945 1.00 0.05 H new ATOM 0 HB2 PRO A 42 -5.037 10.138 -23.788 1.00 0.05 H new ATOM 0 HB3 PRO A 42 -6.186 8.893 -24.233 1.00 0.05 H new ATOM 0 HG2 PRO A 42 -5.228 11.249 -25.846 1.00 0.07 H new ATOM 0 HG3 PRO A 42 -5.472 9.591 -26.359 1.00 0.07 H new ATOM 0 HD2 PRO A 42 -7.308 11.540 -26.880 1.00 0.12 H new ATOM 0 HD3 PRO A 42 -7.784 9.872 -26.628 1.00 0.12 H new ATOM 670 N GLU A 43 -6.474 13.142 -23.828 1.00 0.04 N ATOM 671 CA GLU A 43 -5.955 14.405 -23.316 1.00 0.04 C ATOM 672 C GLU A 43 -6.571 14.746 -21.962 1.00 0.04 C ATOM 673 O GLU A 43 -7.790 14.841 -21.828 1.00 0.06 O ATOM 674 CB GLU A 43 -6.235 15.532 -24.311 1.00 0.07 C ATOM 675 CG GLU A 43 -5.012 15.963 -25.102 1.00 1.26 C ATOM 676 CD GLU A 43 -5.371 16.602 -26.428 1.00 2.14 C ATOM 677 OE1 GLU A 43 -5.793 15.866 -27.346 1.00 3.08 O ATOM 678 OE2 GLU A 43 -5.230 17.836 -26.551 1.00 2.42 O ATOM 0 H GLU A 43 -6.765 13.172 -24.805 1.00 0.04 H new ATOM 0 HA GLU A 43 -4.878 14.297 -23.185 1.00 0.04 H new ATOM 0 HB2 GLU A 43 -7.011 15.208 -25.005 1.00 0.07 H new ATOM 0 HB3 GLU A 43 -6.630 16.393 -23.771 1.00 0.07 H new ATOM 0 HG2 GLU A 43 -4.430 16.668 -24.509 1.00 1.26 H new ATOM 0 HG3 GLU A 43 -4.376 15.096 -25.281 1.00 1.26 H new ATOM 685 N GLY A 44 -5.716 14.933 -20.961 1.00 0.03 N ATOM 686 CA GLY A 44 -6.188 15.264 -19.631 1.00 0.04 C ATOM 687 C GLY A 44 -5.174 16.070 -18.842 1.00 0.05 C ATOM 688 O GLY A 44 -4.834 15.716 -17.713 1.00 0.10 O ATOM 0 H GLY A 44 -4.702 14.861 -21.049 1.00 0.03 H new ATOM 0 HA2 GLY A 44 -7.117 15.829 -19.708 1.00 0.04 H new ATOM 0 HA3 GLY A 44 -6.418 14.346 -19.091 1.00 0.04 H new ATOM 692 N THR A 45 -4.688 17.154 -19.440 1.00 0.06 N ATOM 693 CA THR A 45 -3.705 18.013 -18.791 1.00 0.07 C ATOM 694 C THR A 45 -4.122 18.340 -17.360 1.00 0.08 C ATOM 695 O THR A 45 -3.277 18.546 -16.488 1.00 0.17 O ATOM 696 CB THR A 45 -3.517 19.304 -19.589 1.00 0.08 C ATOM 697 OG1 THR A 45 -4.726 19.685 -20.218 1.00 1.14 O ATOM 698 CG2 THR A 45 -2.454 19.191 -20.662 1.00 1.17 C ATOM 0 H THR A 45 -4.960 17.458 -20.375 1.00 0.06 H new ATOM 0 HA THR A 45 -2.758 17.474 -18.757 1.00 0.07 H new ATOM 0 HB THR A 45 -3.200 20.052 -18.862 1.00 0.08 H new ATOM 0 HG1 THR A 45 -5.457 19.656 -19.566 1.00 1.14 H new ATOM 0 HG21 THR A 45 -2.369 20.140 -21.192 1.00 1.17 H new ATOM 0 HG22 THR A 45 -1.497 18.946 -20.202 1.00 1.17 H new ATOM 0 HG23 THR A 45 -2.730 18.406 -21.366 1.00 1.17 H new ATOM 706 N GLU A 46 -5.430 18.387 -17.123 1.00 0.08 N ATOM 707 CA GLU A 46 -5.958 18.689 -15.797 1.00 0.08 C ATOM 708 C GLU A 46 -5.484 17.661 -14.773 1.00 0.07 C ATOM 709 O GLU A 46 -4.705 17.978 -13.875 1.00 0.12 O ATOM 710 CB GLU A 46 -7.485 18.725 -15.831 1.00 0.10 C ATOM 711 CG GLU A 46 -8.052 20.049 -16.316 1.00 0.94 C ATOM 712 CD GLU A 46 -7.415 20.516 -17.610 1.00 1.65 C ATOM 713 OE1 GLU A 46 -7.305 19.696 -18.547 1.00 2.41 O ATOM 714 OE2 GLU A 46 -7.027 21.701 -17.688 1.00 2.13 O ATOM 0 H GLU A 46 -6.144 18.220 -17.832 1.00 0.08 H new ATOM 0 HA GLU A 46 -5.584 19.669 -15.499 1.00 0.08 H new ATOM 0 HB2 GLU A 46 -7.845 17.926 -16.479 1.00 0.10 H new ATOM 0 HB3 GLU A 46 -7.867 18.520 -14.831 1.00 0.10 H new ATOM 0 HG2 GLU A 46 -9.128 19.948 -16.460 1.00 0.94 H new ATOM 0 HG3 GLU A 46 -7.903 20.807 -15.547 1.00 0.94 H new ATOM 721 N SER A 47 -5.959 16.426 -14.917 1.00 0.09 N ATOM 722 CA SER A 47 -5.584 15.349 -14.004 1.00 0.10 C ATOM 723 C SER A 47 -4.169 14.827 -14.283 1.00 0.10 C ATOM 724 O SER A 47 -3.677 13.955 -13.569 1.00 0.17 O ATOM 725 CB SER A 47 -6.588 14.199 -14.109 1.00 0.13 C ATOM 726 OG SER A 47 -7.264 14.225 -15.355 1.00 1.27 O ATOM 0 H SER A 47 -6.604 16.146 -15.656 1.00 0.09 H new ATOM 0 HA SER A 47 -5.595 15.758 -12.994 1.00 0.10 H new ATOM 0 HB2 SER A 47 -6.069 13.247 -13.993 1.00 0.13 H new ATOM 0 HB3 SER A 47 -7.312 14.269 -13.297 1.00 0.13 H new ATOM 0 HG SER A 47 -8.022 14.844 -15.303 1.00 1.27 H new ATOM 732 N GLU A 48 -3.514 15.355 -15.318 1.00 0.07 N ATOM 733 CA GLU A 48 -2.166 14.923 -15.664 1.00 0.06 C ATOM 734 C GLU A 48 -1.149 15.433 -14.648 1.00 0.05 C ATOM 735 O GLU A 48 -0.218 14.720 -14.275 1.00 0.06 O ATOM 736 CB GLU A 48 -1.799 15.418 -17.064 1.00 0.07 C ATOM 737 CG GLU A 48 -1.504 14.297 -18.047 1.00 1.12 C ATOM 738 CD GLU A 48 -0.272 13.499 -17.671 1.00 1.72 C ATOM 739 OE1 GLU A 48 0.086 13.487 -16.474 1.00 2.14 O ATOM 740 OE2 GLU A 48 0.336 12.885 -18.573 1.00 2.56 O ATOM 0 H GLU A 48 -3.896 16.079 -15.927 1.00 0.07 H new ATOM 0 HA GLU A 48 -2.145 13.833 -15.651 1.00 0.06 H new ATOM 0 HB2 GLU A 48 -2.617 16.024 -17.452 1.00 0.07 H new ATOM 0 HB3 GLU A 48 -0.926 16.067 -16.994 1.00 0.07 H new ATOM 0 HG2 GLU A 48 -2.363 13.628 -18.098 1.00 1.12 H new ATOM 0 HG3 GLU A 48 -1.369 14.719 -19.043 1.00 1.12 H new ATOM 747 N VAL A 89 -1.333 16.673 -14.207 1.00 0.06 N ATOM 748 CA VAL A 89 -0.432 17.282 -13.235 1.00 0.06 C ATOM 749 C VAL A 89 -0.407 16.490 -11.931 1.00 0.06 C ATOM 750 O VAL A 89 0.658 16.244 -11.365 1.00 0.10 O ATOM 751 CB VAL A 89 -0.833 18.738 -12.936 1.00 0.08 C ATOM 752 CG1 VAL A 89 0.258 19.445 -12.147 1.00 1.08 C ATOM 753 CG2 VAL A 89 -1.133 19.483 -14.228 1.00 1.05 C ATOM 0 H VAL A 89 -2.099 17.276 -14.508 1.00 0.06 H new ATOM 0 HA VAL A 89 0.564 17.271 -13.677 1.00 0.06 H new ATOM 0 HB VAL A 89 -1.738 18.728 -12.328 1.00 0.08 H new ATOM 0 HG11 VAL A 89 -0.046 20.472 -11.946 1.00 1.08 H new ATOM 0 HG12 VAL A 89 0.421 18.924 -11.204 1.00 1.08 H new ATOM 0 HG13 VAL A 89 1.182 19.446 -12.725 1.00 1.08 H new ATOM 0 HG21 VAL A 89 -1.415 20.511 -13.998 1.00 1.05 H new ATOM 0 HG22 VAL A 89 -0.247 19.483 -14.862 1.00 1.05 H new ATOM 0 HG23 VAL A 89 -1.953 18.990 -14.750 1.00 1.05 H new ATOM 763 N VAL A 90 -1.585 16.088 -11.460 1.00 0.06 N ATOM 764 CA VAL A 90 -1.681 15.318 -10.220 1.00 0.07 C ATOM 765 C VAL A 90 -1.226 13.877 -10.428 1.00 0.08 C ATOM 766 O VAL A 90 -0.697 13.247 -9.515 1.00 0.15 O ATOM 767 CB VAL A 90 -3.109 15.310 -9.621 1.00 0.09 C ATOM 768 CG1 VAL A 90 -3.325 16.532 -8.744 1.00 1.21 C ATOM 769 CG2 VAL A 90 -4.175 15.228 -10.707 1.00 1.22 C ATOM 0 H VAL A 90 -2.479 16.280 -11.912 1.00 0.06 H new ATOM 0 HA VAL A 90 -1.020 15.819 -9.513 1.00 0.07 H new ATOM 0 HB VAL A 90 -3.204 14.417 -9.004 1.00 0.09 H new ATOM 0 HG11 VAL A 90 -4.334 16.510 -8.331 1.00 1.21 H new ATOM 0 HG12 VAL A 90 -2.600 16.529 -7.930 1.00 1.21 H new ATOM 0 HG13 VAL A 90 -3.197 17.435 -9.340 1.00 1.21 H new ATOM 0 HG21 VAL A 90 -5.163 15.225 -10.247 1.00 1.22 H new ATOM 0 HG22 VAL A 90 -4.086 16.089 -11.370 1.00 1.22 H new ATOM 0 HG23 VAL A 90 -4.039 14.312 -11.282 1.00 1.22 H new ATOM 779 N HIS A 91 -1.431 13.361 -11.636 1.00 0.05 N ATOM 780 CA HIS A 91 -1.035 11.993 -11.955 1.00 0.06 C ATOM 781 C HIS A 91 0.448 11.779 -11.673 1.00 0.07 C ATOM 782 O HIS A 91 0.847 10.740 -11.146 1.00 0.09 O ATOM 783 CB HIS A 91 -1.338 11.676 -13.420 1.00 0.08 C ATOM 784 CG HIS A 91 -2.664 11.012 -13.625 1.00 0.93 C ATOM 785 ND1 HIS A 91 -3.179 10.072 -12.757 1.00 1.42 N ATOM 786 CD2 HIS A 91 -3.583 11.156 -14.609 1.00 1.98 C ATOM 787 CE1 HIS A 91 -4.356 9.666 -13.198 1.00 2.10 C ATOM 788 NE2 HIS A 91 -4.625 10.309 -14.319 1.00 2.48 N ATOM 0 H HIS A 91 -1.867 13.867 -12.407 1.00 0.05 H new ATOM 0 HA HIS A 91 -1.610 11.319 -11.321 1.00 0.06 H new ATOM 0 HB2 HIS A 91 -1.310 12.600 -13.997 1.00 0.08 H new ATOM 0 HB3 HIS A 91 -0.553 11.031 -13.814 1.00 0.08 H new ATOM 0 HD2 HIS A 91 -3.510 11.814 -15.462 1.00 1.98 H new ATOM 0 HE1 HIS A 91 -4.990 8.933 -12.722 1.00 2.10 H new ATOM 0 HE2 HIS A 91 -5.470 10.195 -14.879 1.00 2.48 H new ATOM 796 N LEU A 92 1.263 12.769 -12.026 1.00 0.06 N ATOM 797 CA LEU A 92 2.703 12.687 -11.807 1.00 0.07 C ATOM 798 C LEU A 92 3.033 12.852 -10.329 1.00 0.09 C ATOM 799 O LEU A 92 3.798 12.073 -9.761 1.00 0.14 O ATOM 800 CB LEU A 92 3.429 13.759 -12.622 1.00 0.07 C ATOM 801 CG LEU A 92 2.868 14.004 -14.023 1.00 1.34 C ATOM 802 CD1 LEU A 92 2.446 15.456 -14.183 1.00 2.23 C ATOM 803 CD2 LEU A 92 3.896 13.626 -15.079 1.00 2.19 C ATOM 0 H LEU A 92 0.951 13.636 -12.464 1.00 0.06 H new ATOM 0 HA LEU A 92 3.039 11.703 -12.134 1.00 0.07 H new ATOM 0 HB2 LEU A 92 3.399 14.697 -12.067 1.00 0.07 H new ATOM 0 HB3 LEU A 92 4.478 13.476 -12.713 1.00 0.07 H new ATOM 0 HG LEU A 92 1.988 13.375 -14.158 1.00 1.34 H new ATOM 0 HD11 LEU A 92 2.049 15.611 -15.186 1.00 2.23 H new ATOM 0 HD12 LEU A 92 1.677 15.695 -13.448 1.00 2.23 H new ATOM 0 HD13 LEU A 92 3.308 16.105 -14.030 1.00 2.23 H new ATOM 0 HD21 LEU A 92 3.482 13.806 -16.071 1.00 2.19 H new ATOM 0 HD22 LEU A 92 4.794 14.230 -14.946 1.00 2.19 H new ATOM 0 HD23 LEU A 92 4.150 12.571 -14.978 1.00 2.19 H new ATOM 815 N THR A 93 2.448 13.873 -9.713 1.00 0.07 N ATOM 816 CA THR A 93 2.677 14.148 -8.300 1.00 0.10 C ATOM 817 C THR A 93 2.305 12.941 -7.445 1.00 0.11 C ATOM 818 O THR A 93 3.090 12.498 -6.607 1.00 0.15 O ATOM 819 CB THR A 93 1.867 15.370 -7.865 1.00 0.11 C ATOM 820 OG1 THR A 93 1.497 16.150 -8.987 1.00 0.44 O ATOM 821 CG2 THR A 93 2.612 16.270 -6.904 1.00 0.42 C ATOM 0 H THR A 93 1.811 14.525 -10.171 1.00 0.07 H new ATOM 0 HA THR A 93 3.738 14.354 -8.158 1.00 0.10 H new ATOM 0 HB THR A 93 0.990 14.970 -7.356 1.00 0.11 H new ATOM 0 HG1 THR A 93 0.978 16.926 -8.689 1.00 0.44 H new ATOM 0 HG21 THR A 93 1.981 17.117 -6.636 1.00 0.42 H new ATOM 0 HG22 THR A 93 2.869 15.709 -6.005 1.00 0.42 H new ATOM 0 HG23 THR A 93 3.524 16.633 -7.378 1.00 0.42 H new ATOM 829 N LEU A 94 1.105 12.410 -7.664 1.00 0.08 N ATOM 830 CA LEU A 94 0.637 11.251 -6.914 1.00 0.10 C ATOM 831 C LEU A 94 1.496 10.029 -7.223 1.00 0.11 C ATOM 832 O LEU A 94 1.836 9.255 -6.329 1.00 0.13 O ATOM 833 CB LEU A 94 -0.828 10.957 -7.241 1.00 0.10 C ATOM 834 CG LEU A 94 -1.839 11.443 -6.199 1.00 1.23 C ATOM 835 CD1 LEU A 94 -3.246 11.008 -6.578 1.00 1.74 C ATOM 836 CD2 LEU A 94 -1.471 10.922 -4.817 1.00 2.20 C ATOM 0 H LEU A 94 0.441 12.764 -8.353 1.00 0.08 H new ATOM 0 HA LEU A 94 0.721 11.477 -5.851 1.00 0.10 H new ATOM 0 HB2 LEU A 94 -1.069 11.417 -8.200 1.00 0.10 H new ATOM 0 HB3 LEU A 94 -0.947 9.881 -7.365 1.00 0.10 H new ATOM 0 HG LEU A 94 -1.812 12.532 -6.174 1.00 1.23 H new ATOM 0 HD11 LEU A 94 -3.951 11.362 -5.826 1.00 1.74 H new ATOM 0 HD12 LEU A 94 -3.508 11.429 -7.548 1.00 1.74 H new ATOM 0 HD13 LEU A 94 -3.289 9.920 -6.631 1.00 1.74 H new ATOM 0 HD21 LEU A 94 -2.200 11.277 -4.088 1.00 2.20 H new ATOM 0 HD22 LEU A 94 -1.470 9.832 -4.828 1.00 2.20 H new ATOM 0 HD23 LEU A 94 -0.480 11.283 -4.544 1.00 2.20 H new ATOM 848 N ARG A 95 1.846 9.866 -8.494 1.00 0.09 N ATOM 849 CA ARG A 95 2.670 8.741 -8.922 1.00 0.11 C ATOM 850 C ARG A 95 4.044 8.801 -8.262 1.00 0.12 C ATOM 851 O ARG A 95 4.518 7.814 -7.700 1.00 0.13 O ATOM 852 CB ARG A 95 2.822 8.743 -10.446 1.00 0.14 C ATOM 853 CG ARG A 95 3.659 7.589 -10.977 1.00 0.63 C ATOM 854 CD ARG A 95 4.412 7.982 -12.238 1.00 1.18 C ATOM 855 NE ARG A 95 5.681 8.639 -11.936 1.00 2.03 N ATOM 856 CZ ARG A 95 6.729 8.020 -11.397 1.00 2.62 C ATOM 857 NH1 ARG A 95 6.664 6.730 -11.086 1.00 2.72 N ATOM 858 NH2 ARG A 95 7.847 8.694 -11.165 1.00 3.67 N ATOM 0 H ARG A 95 1.572 10.498 -9.246 1.00 0.09 H new ATOM 0 HA ARG A 95 2.176 7.819 -8.616 1.00 0.11 H new ATOM 0 HB2 ARG A 95 1.832 8.703 -10.901 1.00 0.14 H new ATOM 0 HB3 ARG A 95 3.277 9.684 -10.756 1.00 0.14 H new ATOM 0 HG2 ARG A 95 4.368 7.270 -10.213 1.00 0.63 H new ATOM 0 HG3 ARG A 95 3.013 6.737 -11.188 1.00 0.63 H new ATOM 0 HD2 ARG A 95 4.599 7.093 -12.841 1.00 1.18 H new ATOM 0 HD3 ARG A 95 3.792 8.649 -12.837 1.00 1.18 H new ATOM 0 HE ARG A 95 5.770 9.632 -12.151 1.00 2.03 H new ATOM 0 HH11 ARG A 95 5.806 6.206 -11.260 1.00 2.72 H new ATOM 0 HH12 ARG A 95 7.472 6.264 -10.673 1.00 2.72 H new ATOM 0 HH21 ARG A 95 7.903 9.685 -11.399 1.00 3.67 H new ATOM 0 HH22 ARG A 95 8.651 8.221 -10.752 1.00 3.67 H new ATOM 872 N GLN A 96 4.675 9.968 -8.334 1.00 0.15 N ATOM 873 CA GLN A 96 5.994 10.164 -7.742 1.00 0.19 C ATOM 874 C GLN A 96 5.909 10.169 -6.220 1.00 0.17 C ATOM 875 O GLN A 96 6.840 9.748 -5.534 1.00 0.20 O ATOM 876 CB GLN A 96 6.603 11.478 -8.235 1.00 0.24 C ATOM 877 CG GLN A 96 7.709 11.291 -9.259 1.00 1.31 C ATOM 878 CD GLN A 96 8.649 12.478 -9.328 1.00 1.89 C ATOM 879 OE1 GLN A 96 9.360 12.778 -8.369 1.00 2.34 O ATOM 880 NE2 GLN A 96 8.657 13.161 -10.467 1.00 2.69 N ATOM 0 H GLN A 96 4.294 10.793 -8.797 1.00 0.15 H new ATOM 0 HA GLN A 96 6.633 9.336 -8.050 1.00 0.19 H new ATOM 0 HB2 GLN A 96 5.815 12.092 -8.672 1.00 0.24 H new ATOM 0 HB3 GLN A 96 6.999 12.028 -7.381 1.00 0.24 H new ATOM 0 HG2 GLN A 96 8.279 10.395 -9.013 1.00 1.31 H new ATOM 0 HG3 GLN A 96 7.265 11.126 -10.241 1.00 1.31 H new ATOM 0 HE21 GLN A 96 8.051 12.877 -11.236 1.00 2.69 H new ATOM 0 HE22 GLN A 96 9.269 13.970 -10.572 1.00 2.69 H new ATOM 889 N ALA A 97 4.786 10.651 -5.701 1.00 0.15 N ATOM 890 CA ALA A 97 4.572 10.718 -4.262 1.00 0.18 C ATOM 891 C ALA A 97 4.872 9.379 -3.594 1.00 0.19 C ATOM 892 O ALA A 97 5.627 9.311 -2.626 1.00 0.23 O ATOM 893 CB ALA A 97 3.143 11.154 -3.963 1.00 0.18 C ATOM 0 H ALA A 97 4.007 11.002 -6.258 1.00 0.15 H new ATOM 0 HA ALA A 97 5.261 11.456 -3.852 1.00 0.18 H new ATOM 0 HB1 ALA A 97 2.995 11.200 -2.884 1.00 0.18 H new ATOM 0 HB2 ALA A 97 2.965 12.138 -4.396 1.00 0.18 H new ATOM 0 HB3 ALA A 97 2.446 10.436 -4.394 1.00 0.18 H new ATOM 899 N GLY A 98 4.273 8.314 -4.115 1.00 0.18 N ATOM 900 CA GLY A 98 4.487 6.994 -3.550 1.00 0.23 C ATOM 901 C GLY A 98 5.931 6.536 -3.649 1.00 0.25 C ATOM 902 O GLY A 98 6.481 5.988 -2.695 1.00 0.39 O ATOM 0 H GLY A 98 3.644 8.341 -4.917 1.00 0.18 H new ATOM 0 HA2 GLY A 98 4.184 6.999 -2.503 1.00 0.23 H new ATOM 0 HA3 GLY A 98 3.847 6.276 -4.064 1.00 0.23 H new ATOM 906 N ASP A 99 6.542 6.757 -4.808 1.00 0.34 N ATOM 907 CA ASP A 99 7.928 6.358 -5.033 1.00 0.39 C ATOM 908 C ASP A 99 8.854 6.954 -3.975 1.00 0.31 C ATOM 909 O ASP A 99 9.643 6.241 -3.353 1.00 0.28 O ATOM 910 CB ASP A 99 8.382 6.795 -6.427 1.00 0.54 C ATOM 911 CG ASP A 99 9.147 5.707 -7.155 1.00 0.92 C ATOM 912 OD1 ASP A 99 9.575 4.738 -6.494 1.00 1.66 O ATOM 913 OD2 ASP A 99 9.319 5.826 -8.386 1.00 1.40 O ATOM 0 H ASP A 99 6.099 7.211 -5.607 1.00 0.34 H new ATOM 0 HA ASP A 99 7.981 5.272 -4.959 1.00 0.39 H new ATOM 0 HB2 ASP A 99 7.511 7.079 -7.017 1.00 0.54 H new ATOM 0 HB3 ASP A 99 9.011 7.681 -6.340 1.00 0.54 H new ATOM 918 N ASP A 100 8.755 8.264 -3.781 1.00 0.35 N ATOM 919 CA ASP A 100 9.583 8.962 -2.805 1.00 0.38 C ATOM 920 C ASP A 100 9.380 8.398 -1.401 1.00 0.31 C ATOM 921 O ASP A 100 10.306 8.382 -0.590 1.00 0.39 O ATOM 922 CB ASP A 100 9.261 10.455 -2.824 1.00 0.47 C ATOM 923 CG ASP A 100 10.388 11.287 -3.402 1.00 0.66 C ATOM 924 OD1 ASP A 100 11.556 10.859 -3.300 1.00 1.57 O ATOM 925 OD2 ASP A 100 10.101 12.368 -3.958 1.00 1.00 O ATOM 0 H ASP A 100 8.107 8.866 -4.289 1.00 0.35 H new ATOM 0 HA ASP A 100 10.628 8.814 -3.078 1.00 0.38 H new ATOM 0 HB2 ASP A 100 8.356 10.620 -3.408 1.00 0.47 H new ATOM 0 HB3 ASP A 100 9.051 10.790 -1.808 1.00 0.47 H new ATOM 930 N PHE A 101 8.166 7.937 -1.119 1.00 0.30 N ATOM 931 CA PHE A 101 7.851 7.375 0.190 1.00 0.39 C ATOM 932 C PHE A 101 8.497 6.006 0.370 1.00 0.29 C ATOM 933 O PHE A 101 9.149 5.744 1.381 1.00 0.35 O ATOM 934 CB PHE A 101 6.338 7.251 0.368 1.00 0.59 C ATOM 935 CG PHE A 101 5.941 6.632 1.677 1.00 0.56 C ATOM 936 CD1 PHE A 101 6.162 7.301 2.870 1.00 1.07 C ATOM 937 CD2 PHE A 101 5.349 5.381 1.715 1.00 1.21 C ATOM 938 CE1 PHE A 101 5.797 6.733 4.077 1.00 1.54 C ATOM 939 CE2 PHE A 101 4.983 4.807 2.918 1.00 1.64 C ATOM 940 CZ PHE A 101 5.207 5.485 4.100 1.00 1.66 C ATOM 0 H PHE A 101 7.386 7.941 -1.777 1.00 0.30 H new ATOM 0 HA PHE A 101 8.250 8.052 0.945 1.00 0.39 H new ATOM 0 HB2 PHE A 101 5.888 8.241 0.291 1.00 0.59 H new ATOM 0 HB3 PHE A 101 5.931 6.652 -0.447 1.00 0.59 H new ATOM 0 HD1 PHE A 101 6.624 8.277 2.857 1.00 1.07 H new ATOM 0 HD2 PHE A 101 5.171 4.847 0.793 1.00 1.21 H new ATOM 0 HE1 PHE A 101 5.973 7.265 5.000 1.00 1.54 H new ATOM 0 HE2 PHE A 101 4.523 3.830 2.933 1.00 1.64 H new ATOM 0 HZ PHE A 101 4.921 5.040 5.041 1.00 1.66 H new ATOM 950 N SER A 102 8.304 5.136 -0.614 1.00 0.27 N ATOM 951 CA SER A 102 8.859 3.789 -0.567 1.00 0.30 C ATOM 952 C SER A 102 10.372 3.823 -0.361 1.00 0.26 C ATOM 953 O SER A 102 10.936 2.949 0.297 1.00 0.36 O ATOM 954 CB SER A 102 8.523 3.036 -1.855 1.00 0.42 C ATOM 955 OG SER A 102 8.085 3.927 -2.867 1.00 1.36 O ATOM 0 H SER A 102 7.766 5.340 -1.456 1.00 0.27 H new ATOM 0 HA SER A 102 8.412 3.269 0.280 1.00 0.30 H new ATOM 0 HB2 SER A 102 9.401 2.491 -2.201 1.00 0.42 H new ATOM 0 HB3 SER A 102 7.747 2.297 -1.656 1.00 0.42 H new ATOM 0 HG SER A 102 7.136 4.132 -2.734 1.00 1.36 H new ATOM 961 N ARG A 103 11.022 4.834 -0.928 1.00 0.19 N ATOM 962 CA ARG A 103 12.469 4.974 -0.806 1.00 0.20 C ATOM 963 C ARG A 103 12.863 5.393 0.609 1.00 0.20 C ATOM 964 O ARG A 103 13.950 5.061 1.081 1.00 0.33 O ATOM 965 CB ARG A 103 12.991 5.996 -1.816 1.00 0.20 C ATOM 966 CG ARG A 103 14.432 6.409 -1.568 1.00 1.19 C ATOM 967 CD ARG A 103 15.196 6.612 -2.869 1.00 2.03 C ATOM 968 NE ARG A 103 15.416 5.351 -3.582 1.00 2.62 N ATOM 969 CZ ARG A 103 14.671 4.908 -4.598 1.00 3.40 C ATOM 970 NH1 ARG A 103 13.615 5.592 -5.029 1.00 3.78 N ATOM 971 NH2 ARG A 103 14.980 3.758 -5.181 1.00 4.15 N ATOM 0 H ARG A 103 10.571 5.567 -1.475 1.00 0.19 H new ATOM 0 HA ARG A 103 12.919 4.003 -1.015 1.00 0.20 H new ATOM 0 HB2 ARG A 103 12.908 5.579 -2.820 1.00 0.20 H new ATOM 0 HB3 ARG A 103 12.357 6.882 -1.786 1.00 0.20 H new ATOM 0 HG2 ARG A 103 14.451 7.332 -0.988 1.00 1.19 H new ATOM 0 HG3 ARG A 103 14.930 5.646 -0.969 1.00 1.19 H new ATOM 0 HD2 ARG A 103 14.643 7.299 -3.510 1.00 2.03 H new ATOM 0 HD3 ARG A 103 16.157 7.079 -2.655 1.00 2.03 H new ATOM 0 HE ARG A 103 16.196 4.768 -3.280 1.00 2.62 H new ATOM 0 HH11 ARG A 103 13.361 6.473 -4.582 1.00 3.78 H new ATOM 0 HH12 ARG A 103 13.059 5.236 -5.807 1.00 3.78 H new ATOM 0 HH21 ARG A 103 15.781 3.219 -4.853 1.00 4.15 H new ATOM 0 HH22 ARG A 103 14.416 3.412 -5.958 1.00 4.15 H new ATOM 985 N ARG A 104 11.977 6.123 1.278 1.00 0.17 N ATOM 986 CA ARG A 104 12.241 6.585 2.637 1.00 0.20 C ATOM 987 C ARG A 104 11.999 5.471 3.651 1.00 0.21 C ATOM 988 O ARG A 104 12.809 5.252 4.551 1.00 0.25 O ATOM 989 CB ARG A 104 11.361 7.793 2.969 1.00 0.23 C ATOM 990 CG ARG A 104 12.064 9.129 2.785 1.00 0.79 C ATOM 991 CD ARG A 104 13.346 9.204 3.601 1.00 1.27 C ATOM 992 NE ARG A 104 13.306 10.287 4.581 1.00 2.21 N ATOM 993 CZ ARG A 104 13.227 11.577 4.260 1.00 2.87 C ATOM 994 NH1 ARG A 104 13.196 11.956 2.987 1.00 2.96 N ATOM 995 NH2 ARG A 104 13.183 12.494 5.216 1.00 3.93 N ATOM 0 H ARG A 104 11.072 6.407 0.903 1.00 0.17 H new ATOM 0 HA ARG A 104 13.289 6.880 2.694 1.00 0.20 H new ATOM 0 HB2 ARG A 104 10.473 7.769 2.337 1.00 0.23 H new ATOM 0 HB3 ARG A 104 11.020 7.711 4.001 1.00 0.23 H new ATOM 0 HG2 ARG A 104 12.294 9.277 1.730 1.00 0.79 H new ATOM 0 HG3 ARG A 104 11.395 9.937 3.082 1.00 0.79 H new ATOM 0 HD2 ARG A 104 13.506 8.256 4.114 1.00 1.27 H new ATOM 0 HD3 ARG A 104 14.194 9.351 2.932 1.00 1.27 H new ATOM 0 HE ARG A 104 13.341 10.040 5.570 1.00 2.21 H new ATOM 0 HH11 ARG A 104 13.233 11.256 2.246 1.00 2.96 H new ATOM 0 HH12 ARG A 104 13.135 12.946 2.751 1.00 2.96 H new ATOM 0 HH21 ARG A 104 13.210 12.211 6.196 1.00 3.93 H new ATOM 0 HH22 ARG A 104 13.123 13.483 4.972 1.00 3.93 H new ATOM 1009 N TYR A 105 10.881 4.769 3.498 1.00 0.20 N ATOM 1010 CA TYR A 105 10.534 3.676 4.398 1.00 0.25 C ATOM 1011 C TYR A 105 10.740 2.328 3.713 1.00 0.24 C ATOM 1012 O TYR A 105 9.800 1.745 3.172 1.00 0.41 O ATOM 1013 CB TYR A 105 9.080 3.810 4.865 1.00 0.35 C ATOM 1014 CG TYR A 105 8.768 5.144 5.510 1.00 0.26 C ATOM 1015 CD1 TYR A 105 8.838 6.325 4.781 1.00 0.56 C ATOM 1016 CD2 TYR A 105 8.406 5.222 6.850 1.00 0.81 C ATOM 1017 CE1 TYR A 105 8.557 7.543 5.368 1.00 0.79 C ATOM 1018 CE2 TYR A 105 8.125 6.437 7.444 1.00 0.94 C ATOM 1019 CZ TYR A 105 8.202 7.594 6.698 1.00 0.77 C ATOM 1020 OH TYR A 105 7.927 8.807 7.285 1.00 1.08 O ATOM 0 H TYR A 105 10.199 4.938 2.758 1.00 0.20 H new ATOM 0 HA TYR A 105 11.190 3.729 5.267 1.00 0.25 H new ATOM 0 HB2 TYR A 105 8.419 3.666 4.011 1.00 0.35 H new ATOM 0 HB3 TYR A 105 8.861 3.013 5.575 1.00 0.35 H new ATOM 0 HD1 TYR A 105 9.117 6.290 3.738 1.00 0.56 H new ATOM 0 HD2 TYR A 105 8.343 4.317 7.436 1.00 0.81 H new ATOM 0 HE1 TYR A 105 8.615 8.451 4.787 1.00 0.79 H new ATOM 0 HE2 TYR A 105 7.847 6.480 8.487 1.00 0.94 H new ATOM 0 HH TYR A 105 7.692 8.669 8.226 1.00 1.08 H new ATOM 1030 N ARG A 106 11.978 1.843 3.731 1.00 0.16 N ATOM 1031 CA ARG A 106 12.311 0.567 3.104 1.00 0.16 C ATOM 1032 C ARG A 106 12.493 -0.529 4.148 1.00 0.20 C ATOM 1033 O ARG A 106 13.314 -1.432 3.976 1.00 0.31 O ATOM 1034 CB ARG A 106 13.587 0.707 2.270 1.00 0.18 C ATOM 1035 CG ARG A 106 14.857 0.781 3.104 1.00 1.32 C ATOM 1036 CD ARG A 106 15.669 2.024 2.775 1.00 2.01 C ATOM 1037 NE ARG A 106 17.107 1.777 2.848 1.00 2.84 N ATOM 1038 CZ ARG A 106 17.758 1.500 3.977 1.00 3.71 C ATOM 1039 NH1 ARG A 106 17.106 1.435 5.131 1.00 3.97 N ATOM 1040 NH2 ARG A 106 19.067 1.290 3.951 1.00 4.66 N ATOM 0 H ARG A 106 12.768 2.314 4.173 1.00 0.16 H new ATOM 0 HA ARG A 106 11.483 0.285 2.454 1.00 0.16 H new ATOM 0 HB2 ARG A 106 13.660 -0.140 1.588 1.00 0.18 H new ATOM 0 HB3 ARG A 106 13.513 1.605 1.656 1.00 0.18 H new ATOM 0 HG2 ARG A 106 14.598 0.784 4.163 1.00 1.32 H new ATOM 0 HG3 ARG A 106 15.462 -0.108 2.926 1.00 1.32 H new ATOM 0 HD2 ARG A 106 15.412 2.370 1.774 1.00 2.01 H new ATOM 0 HD3 ARG A 106 15.403 2.823 3.467 1.00 2.01 H new ATOM 0 HE ARG A 106 17.645 1.819 1.982 1.00 2.84 H new ATOM 0 HH11 ARG A 106 16.099 1.598 5.158 1.00 3.97 H new ATOM 0 HH12 ARG A 106 17.611 1.222 5.991 1.00 3.97 H new ATOM 0 HH21 ARG A 106 19.574 1.341 3.067 1.00 4.66 H new ATOM 0 HH22 ARG A 106 19.567 1.078 4.815 1.00 4.66 H new ATOM 1054 N ARG A 107 11.729 -0.446 5.231 1.00 0.20 N ATOM 1055 CA ARG A 107 11.817 -1.434 6.301 1.00 0.22 C ATOM 1056 C ARG A 107 10.614 -1.339 7.234 1.00 0.25 C ATOM 1057 O ARG A 107 10.735 -1.553 8.441 1.00 0.34 O ATOM 1058 CB ARG A 107 13.113 -1.249 7.095 1.00 0.25 C ATOM 1059 CG ARG A 107 13.444 0.203 7.413 1.00 1.30 C ATOM 1060 CD ARG A 107 12.836 0.637 8.737 1.00 2.05 C ATOM 1061 NE ARG A 107 13.446 -0.054 9.870 1.00 2.54 N ATOM 1062 CZ ARG A 107 13.420 0.399 11.123 1.00 3.72 C ATOM 1063 NH1 ARG A 107 12.805 1.540 11.417 1.00 4.36 N ATOM 1064 NH2 ARG A 107 14.007 -0.295 12.089 1.00 4.46 N ATOM 0 H ARG A 107 11.044 0.292 5.392 1.00 0.20 H new ATOM 0 HA ARG A 107 11.820 -2.424 5.844 1.00 0.22 H new ATOM 0 HB2 ARG A 107 13.037 -1.806 8.029 1.00 0.25 H new ATOM 0 HB3 ARG A 107 13.938 -1.683 6.530 1.00 0.25 H new ATOM 0 HG2 ARG A 107 14.526 0.331 7.449 1.00 1.30 H new ATOM 0 HG3 ARG A 107 13.074 0.845 6.614 1.00 1.30 H new ATOM 0 HD2 ARG A 107 12.961 1.713 8.858 1.00 2.05 H new ATOM 0 HD3 ARG A 107 11.764 0.440 8.726 1.00 2.05 H new ATOM 0 HE ARG A 107 13.922 -0.938 9.691 1.00 2.54 H new ATOM 0 HH11 ARG A 107 12.347 2.077 10.681 1.00 4.36 H new ATOM 0 HH12 ARG A 107 12.791 1.878 12.379 1.00 4.36 H new ATOM 0 HH21 ARG A 107 14.477 -1.174 11.872 1.00 4.46 H new ATOM 0 HH22 ARG A 107 13.988 0.050 13.049 1.00 4.46 H new ATOM 1078 N ASP A 108 9.455 -1.022 6.667 1.00 0.23 N ATOM 1079 CA ASP A 108 8.228 -0.904 7.446 1.00 0.26 C ATOM 1080 C ASP A 108 7.121 -1.762 6.842 1.00 0.25 C ATOM 1081 O ASP A 108 6.726 -2.778 7.414 1.00 0.27 O ATOM 1082 CB ASP A 108 7.778 0.557 7.515 1.00 0.28 C ATOM 1083 CG ASP A 108 8.812 1.452 8.168 1.00 1.15 C ATOM 1084 OD1 ASP A 108 9.897 1.637 7.577 1.00 1.90 O ATOM 1085 OD2 ASP A 108 8.538 1.970 9.271 1.00 2.00 O ATOM 0 H ASP A 108 9.340 -0.842 5.670 1.00 0.23 H new ATOM 0 HA ASP A 108 8.432 -1.259 8.456 1.00 0.26 H new ATOM 0 HB2 ASP A 108 7.573 0.919 6.507 1.00 0.28 H new ATOM 0 HB3 ASP A 108 6.843 0.620 8.072 1.00 0.28 H new ATOM 1090 N PHE A 109 6.625 -1.346 5.682 1.00 0.24 N ATOM 1091 CA PHE A 109 5.564 -2.077 4.998 1.00 0.25 C ATOM 1092 C PHE A 109 6.101 -3.357 4.364 1.00 0.22 C ATOM 1093 O PHE A 109 5.375 -4.336 4.214 1.00 0.40 O ATOM 1094 CB PHE A 109 4.909 -1.203 3.930 1.00 0.28 C ATOM 1095 CG PHE A 109 5.891 -0.490 3.046 1.00 0.28 C ATOM 1096 CD1 PHE A 109 6.492 -1.147 1.985 1.00 0.26 C ATOM 1097 CD2 PHE A 109 6.211 0.837 3.277 1.00 0.33 C ATOM 1098 CE1 PHE A 109 7.396 -0.492 1.171 1.00 0.28 C ATOM 1099 CE2 PHE A 109 7.115 1.498 2.467 1.00 0.36 C ATOM 1100 CZ PHE A 109 7.708 0.833 1.413 1.00 0.33 C ATOM 0 H PHE A 109 6.940 -0.507 5.196 1.00 0.24 H new ATOM 0 HA PHE A 109 4.815 -2.347 5.742 1.00 0.25 H new ATOM 0 HB2 PHE A 109 4.262 -1.825 3.311 1.00 0.28 H new ATOM 0 HB3 PHE A 109 4.271 -0.466 4.418 1.00 0.28 H new ATOM 0 HD1 PHE A 109 6.251 -2.182 1.792 1.00 0.26 H new ATOM 0 HD2 PHE A 109 5.749 1.362 4.100 1.00 0.33 H new ATOM 0 HE1 PHE A 109 7.858 -1.014 0.347 1.00 0.28 H new ATOM 0 HE2 PHE A 109 7.357 2.533 2.658 1.00 0.36 H new ATOM 0 HZ PHE A 109 8.415 1.347 0.778 1.00 0.33 H new ATOM 1110 N ALA A 110 7.375 -3.343 3.992 1.00 0.11 N ATOM 1111 CA ALA A 110 7.996 -4.509 3.377 1.00 0.14 C ATOM 1112 C ALA A 110 7.934 -5.713 4.312 1.00 0.09 C ATOM 1113 O ALA A 110 7.726 -6.845 3.873 1.00 0.10 O ATOM 1114 CB ALA A 110 9.437 -4.204 3.001 1.00 0.23 C ATOM 0 H ALA A 110 7.996 -2.541 4.105 1.00 0.11 H new ATOM 0 HA ALA A 110 7.442 -4.753 2.470 1.00 0.14 H new ATOM 0 HB1 ALA A 110 9.888 -5.084 2.543 1.00 0.23 H new ATOM 0 HB2 ALA A 110 9.461 -3.375 2.294 1.00 0.23 H new ATOM 0 HB3 ALA A 110 9.997 -3.934 3.896 1.00 0.23 H new ATOM 1120 N GLU A 111 8.116 -5.458 5.604 1.00 0.11 N ATOM 1121 CA GLU A 111 8.084 -6.515 6.608 1.00 0.14 C ATOM 1122 C GLU A 111 6.664 -7.026 6.829 1.00 0.13 C ATOM 1123 O GLU A 111 6.410 -8.230 6.766 1.00 0.25 O ATOM 1124 CB GLU A 111 8.664 -6.005 7.928 1.00 0.20 C ATOM 1125 CG GLU A 111 9.950 -5.212 7.761 1.00 1.19 C ATOM 1126 CD GLU A 111 10.614 -4.893 9.087 1.00 1.98 C ATOM 1127 OE1 GLU A 111 9.924 -4.369 9.986 1.00 2.89 O ATOM 1128 OE2 GLU A 111 11.824 -5.168 9.225 1.00 2.33 O ATOM 0 H GLU A 111 8.288 -4.526 5.981 1.00 0.11 H new ATOM 0 HA GLU A 111 8.691 -7.343 6.242 1.00 0.14 H new ATOM 0 HB2 GLU A 111 7.922 -5.378 8.423 1.00 0.20 H new ATOM 0 HB3 GLU A 111 8.853 -6.854 8.584 1.00 0.20 H new ATOM 0 HG2 GLU A 111 10.643 -5.778 7.138 1.00 1.19 H new ATOM 0 HG3 GLU A 111 9.734 -4.283 7.234 1.00 1.19 H new ATOM 1135 N MET A 112 5.741 -6.106 7.094 1.00 0.12 N ATOM 1136 CA MET A 112 4.347 -6.467 7.331 1.00 0.14 C ATOM 1137 C MET A 112 3.795 -7.312 6.185 1.00 0.11 C ATOM 1138 O MET A 112 2.884 -8.118 6.380 1.00 0.15 O ATOM 1139 CB MET A 112 3.492 -5.209 7.528 1.00 0.19 C ATOM 1140 CG MET A 112 3.037 -4.554 6.231 1.00 0.51 C ATOM 1141 SD MET A 112 1.288 -4.828 5.890 1.00 1.31 S ATOM 1142 CE MET A 112 0.923 -3.418 4.846 1.00 1.65 C ATOM 0 H MET A 112 5.933 -5.106 7.150 1.00 0.12 H new ATOM 0 HA MET A 112 4.305 -7.064 8.242 1.00 0.14 H new ATOM 0 HB2 MET A 112 2.613 -5.469 8.118 1.00 0.19 H new ATOM 0 HB3 MET A 112 4.062 -4.483 8.108 1.00 0.19 H new ATOM 0 HG2 MET A 112 3.229 -3.482 6.283 1.00 0.51 H new ATOM 0 HG3 MET A 112 3.630 -4.945 5.404 1.00 0.51 H new ATOM 0 HE1 MET A 112 0.234 -3.718 4.057 1.00 1.65 H new ATOM 0 HE2 MET A 112 0.467 -2.630 5.445 1.00 1.65 H new ATOM 0 HE3 MET A 112 1.846 -3.047 4.400 1.00 1.65 H new ATOM 1152 N SER A 113 4.350 -7.125 4.991 1.00 0.08 N ATOM 1153 CA SER A 113 3.911 -7.871 3.819 1.00 0.09 C ATOM 1154 C SER A 113 3.908 -9.372 4.097 1.00 0.11 C ATOM 1155 O SER A 113 3.031 -10.098 3.629 1.00 0.18 O ATOM 1156 CB SER A 113 4.820 -7.562 2.627 1.00 0.12 C ATOM 1157 OG SER A 113 4.297 -8.116 1.431 1.00 1.18 O ATOM 0 H SER A 113 5.105 -6.463 4.811 1.00 0.08 H new ATOM 0 HA SER A 113 2.892 -7.564 3.582 1.00 0.09 H new ATOM 0 HB2 SER A 113 4.926 -6.483 2.516 1.00 0.12 H new ATOM 0 HB3 SER A 113 5.817 -7.963 2.812 1.00 0.12 H new ATOM 0 HG SER A 113 4.903 -8.812 1.101 1.00 1.18 H new ATOM 1163 N SER A 114 4.894 -9.831 4.863 1.00 0.08 N ATOM 1164 CA SER A 114 5.001 -11.247 5.203 1.00 0.12 C ATOM 1165 C SER A 114 3.795 -11.700 6.020 1.00 0.10 C ATOM 1166 O SER A 114 3.357 -12.846 5.917 1.00 0.12 O ATOM 1167 CB SER A 114 6.289 -11.508 5.986 1.00 0.15 C ATOM 1168 OG SER A 114 6.762 -12.825 5.763 1.00 1.16 O ATOM 0 H SER A 114 5.629 -9.245 5.259 1.00 0.08 H new ATOM 0 HA SER A 114 5.026 -11.819 4.275 1.00 0.12 H new ATOM 0 HB2 SER A 114 7.052 -10.789 5.688 1.00 0.15 H new ATOM 0 HB3 SER A 114 6.108 -11.358 7.050 1.00 0.15 H new ATOM 0 HG SER A 114 7.587 -12.967 6.273 1.00 1.16 H new ATOM 1174 N GLN A 115 3.264 -10.791 6.830 1.00 0.07 N ATOM 1175 CA GLN A 115 2.109 -11.090 7.667 1.00 0.06 C ATOM 1176 C GLN A 115 0.860 -11.302 6.816 1.00 0.05 C ATOM 1177 O GLN A 115 0.001 -12.118 7.147 1.00 0.06 O ATOM 1178 CB GLN A 115 1.872 -9.956 8.667 1.00 0.07 C ATOM 1179 CG GLN A 115 1.419 -10.437 10.036 1.00 1.25 C ATOM 1180 CD GLN A 115 1.181 -9.296 11.006 1.00 2.14 C ATOM 1181 OE1 GLN A 115 0.044 -9.010 11.380 1.00 2.78 O ATOM 1182 NE2 GLN A 115 2.257 -8.636 11.420 1.00 2.95 N ATOM 0 H GLN A 115 3.616 -9.839 6.925 1.00 0.07 H new ATOM 0 HA GLN A 115 2.315 -12.011 8.213 1.00 0.06 H new ATOM 0 HB2 GLN A 115 2.792 -9.383 8.779 1.00 0.07 H new ATOM 0 HB3 GLN A 115 1.121 -9.277 8.263 1.00 0.07 H new ATOM 0 HG2 GLN A 115 0.501 -11.015 9.928 1.00 1.25 H new ATOM 0 HG3 GLN A 115 2.172 -11.109 10.449 1.00 1.25 H new ATOM 0 HE21 GLN A 115 3.182 -8.906 11.085 1.00 2.95 H new ATOM 0 HE22 GLN A 115 2.159 -7.859 12.073 1.00 2.95 H new ATOM 1191 N LEU A 116 0.766 -10.556 5.721 1.00 0.05 N ATOM 1192 CA LEU A 116 -0.380 -10.655 4.821 1.00 0.07 C ATOM 1193 C LEU A 116 -0.607 -12.095 4.374 1.00 0.06 C ATOM 1194 O LEU A 116 -1.746 -12.527 4.200 1.00 0.09 O ATOM 1195 CB LEU A 116 -0.175 -9.761 3.596 1.00 0.08 C ATOM 1196 CG LEU A 116 0.195 -8.309 3.903 1.00 0.26 C ATOM 1197 CD1 LEU A 116 0.375 -7.523 2.614 1.00 0.22 C ATOM 1198 CD2 LEU A 116 -0.866 -7.664 4.781 1.00 0.47 C ATOM 0 H LEU A 116 1.469 -9.875 5.434 1.00 0.05 H new ATOM 0 HA LEU A 116 -1.261 -10.320 5.368 1.00 0.07 H new ATOM 0 HB2 LEU A 116 0.609 -10.196 2.976 1.00 0.08 H new ATOM 0 HB3 LEU A 116 -1.090 -9.768 3.004 1.00 0.08 H new ATOM 0 HG LEU A 116 1.140 -8.300 4.445 1.00 0.26 H new ATOM 0 HD11 LEU A 116 0.638 -6.492 2.850 1.00 0.22 H new ATOM 0 HD12 LEU A 116 1.171 -7.974 2.021 1.00 0.22 H new ATOM 0 HD13 LEU A 116 -0.555 -7.539 2.045 1.00 0.22 H new ATOM 0 HD21 LEU A 116 -0.587 -6.631 4.990 1.00 0.47 H new ATOM 0 HD22 LEU A 116 -1.826 -7.683 4.265 1.00 0.47 H new ATOM 0 HD23 LEU A 116 -0.947 -8.215 5.718 1.00 0.47 H new ATOM 1210 N HIS A 117 0.483 -12.832 4.184 1.00 0.06 N ATOM 1211 CA HIS A 117 0.399 -14.222 3.750 1.00 0.07 C ATOM 1212 C HIS A 117 0.006 -14.309 2.278 1.00 0.07 C ATOM 1213 O HIS A 117 0.015 -13.306 1.564 1.00 0.13 O ATOM 1214 CB HIS A 117 -0.609 -14.987 4.609 1.00 0.09 C ATOM 1215 CG HIS A 117 -0.070 -16.266 5.171 1.00 0.74 C ATOM 1216 ND1 HIS A 117 -0.874 -17.265 5.678 1.00 1.49 N ATOM 1217 CD2 HIS A 117 1.203 -16.709 5.304 1.00 1.34 C ATOM 1218 CE1 HIS A 117 -0.121 -18.264 6.099 1.00 1.94 C ATOM 1219 NE2 HIS A 117 1.143 -17.953 5.882 1.00 1.80 N ATOM 0 H HIS A 117 1.434 -12.490 4.324 1.00 0.06 H new ATOM 0 HA HIS A 117 1.383 -14.675 3.871 1.00 0.07 H new ATOM 0 HB2 HIS A 117 -0.933 -14.347 5.430 1.00 0.09 H new ATOM 0 HB3 HIS A 117 -1.492 -15.207 4.009 1.00 0.09 H new ATOM 0 HD2 HIS A 117 2.099 -16.182 5.010 1.00 1.34 H new ATOM 0 HE1 HIS A 117 -0.479 -19.180 6.545 1.00 1.94 H new ATOM 0 HE2 HIS A 117 1.945 -18.541 6.107 1.00 1.80 H new ATOM 1227 N LEU A 118 -0.338 -15.513 1.830 1.00 0.08 N ATOM 1228 CA LEU A 118 -0.731 -15.725 0.441 1.00 0.08 C ATOM 1229 C LEU A 118 -2.016 -16.541 0.352 1.00 0.08 C ATOM 1230 O LEU A 118 -2.038 -17.725 0.689 1.00 0.18 O ATOM 1231 CB LEU A 118 0.388 -16.435 -0.324 1.00 0.09 C ATOM 1232 CG LEU A 118 1.778 -15.819 -0.155 1.00 1.01 C ATOM 1233 CD1 LEU A 118 2.370 -16.198 1.194 1.00 1.59 C ATOM 1234 CD2 LEU A 118 2.697 -16.259 -1.286 1.00 2.26 C ATOM 0 H LEU A 118 -0.353 -16.354 2.407 1.00 0.08 H new ATOM 0 HA LEU A 118 -0.912 -14.749 -0.009 1.00 0.08 H new ATOM 0 HB2 LEU A 118 0.426 -17.475 0.000 1.00 0.09 H new ATOM 0 HB3 LEU A 118 0.136 -16.441 -1.384 1.00 0.09 H new ATOM 0 HG LEU A 118 1.681 -14.734 -0.193 1.00 1.01 H new ATOM 0 HD11 LEU A 118 3.359 -15.751 1.296 1.00 1.59 H new ATOM 0 HD12 LEU A 118 1.722 -15.833 1.991 1.00 1.59 H new ATOM 0 HD13 LEU A 118 2.454 -17.283 1.263 1.00 1.59 H new ATOM 0 HD21 LEU A 118 3.682 -15.811 -1.150 1.00 2.26 H new ATOM 0 HD22 LEU A 118 2.788 -17.345 -1.279 1.00 2.26 H new ATOM 0 HD23 LEU A 118 2.280 -15.936 -2.240 1.00 2.26 H new ATOM 1246 N THR A 119 -3.084 -15.899 -0.109 1.00 0.08 N ATOM 1247 CA THR A 119 -4.377 -16.558 -0.251 1.00 0.09 C ATOM 1248 C THR A 119 -5.430 -15.569 -0.742 1.00 0.09 C ATOM 1249 O THR A 119 -5.398 -14.394 -0.383 1.00 0.11 O ATOM 1250 CB THR A 119 -4.814 -17.171 1.080 1.00 0.11 C ATOM 1251 OG1 THR A 119 -6.149 -17.637 1.003 1.00 1.01 O ATOM 1252 CG2 THR A 119 -4.734 -16.202 2.239 1.00 0.97 C ATOM 0 H THR A 119 -3.079 -14.919 -0.392 1.00 0.08 H new ATOM 0 HA THR A 119 -4.275 -17.355 -0.987 1.00 0.09 H new ATOM 0 HB THR A 119 -4.119 -17.991 1.263 1.00 0.11 H new ATOM 0 HG1 THR A 119 -6.409 -18.027 1.863 1.00 1.01 H new ATOM 0 HG21 THR A 119 -5.058 -16.700 3.153 1.00 0.97 H new ATOM 0 HG22 THR A 119 -3.706 -15.860 2.357 1.00 0.97 H new ATOM 0 HG23 THR A 119 -5.381 -15.347 2.043 1.00 0.97 H new ATOM 1260 N PRO A 120 -6.375 -16.029 -1.578 1.00 0.07 N ATOM 1261 CA PRO A 120 -7.432 -15.170 -2.121 1.00 0.08 C ATOM 1262 C PRO A 120 -8.534 -14.871 -1.108 1.00 0.08 C ATOM 1263 O PRO A 120 -9.162 -13.813 -1.159 1.00 0.14 O ATOM 1264 CB PRO A 120 -7.987 -15.997 -3.278 1.00 0.08 C ATOM 1265 CG PRO A 120 -7.760 -17.411 -2.868 1.00 0.08 C ATOM 1266 CD PRO A 120 -6.485 -17.416 -2.068 1.00 0.08 C ATOM 0 HA PRO A 120 -7.049 -14.192 -2.411 1.00 0.08 H new ATOM 0 HB2 PRO A 120 -9.046 -15.795 -3.438 1.00 0.08 H new ATOM 0 HB3 PRO A 120 -7.474 -15.767 -4.212 1.00 0.08 H new ATOM 0 HG2 PRO A 120 -8.594 -17.783 -2.273 1.00 0.08 H new ATOM 0 HG3 PRO A 120 -7.676 -18.060 -3.739 1.00 0.08 H new ATOM 0 HD2 PRO A 120 -6.531 -18.129 -1.245 1.00 0.08 H new ATOM 0 HD3 PRO A 120 -5.628 -17.693 -2.682 1.00 0.08 H new ATOM 1274 N PHE A 121 -8.772 -15.809 -0.198 1.00 0.04 N ATOM 1275 CA PHE A 121 -9.809 -15.642 0.816 1.00 0.06 C ATOM 1276 C PHE A 121 -9.425 -14.575 1.836 1.00 0.05 C ATOM 1277 O PHE A 121 -10.175 -13.627 2.067 1.00 0.05 O ATOM 1278 CB PHE A 121 -10.072 -16.970 1.527 1.00 0.07 C ATOM 1279 CG PHE A 121 -10.873 -17.944 0.710 1.00 1.23 C ATOM 1280 CD1 PHE A 121 -12.036 -17.544 0.073 1.00 1.92 C ATOM 1281 CD2 PHE A 121 -10.461 -19.260 0.580 1.00 2.30 C ATOM 1282 CE1 PHE A 121 -12.775 -18.440 -0.679 1.00 2.94 C ATOM 1283 CE2 PHE A 121 -11.194 -20.159 -0.170 1.00 3.35 C ATOM 1284 CZ PHE A 121 -12.352 -19.749 -0.800 1.00 3.53 C ATOM 0 H PHE A 121 -8.263 -16.691 -0.141 1.00 0.04 H new ATOM 0 HA PHE A 121 -10.718 -15.316 0.311 1.00 0.06 H new ATOM 0 HB2 PHE A 121 -9.118 -17.427 1.789 1.00 0.07 H new ATOM 0 HB3 PHE A 121 -10.598 -16.774 2.461 1.00 0.07 H new ATOM 0 HD1 PHE A 121 -12.370 -16.521 0.164 1.00 1.92 H new ATOM 0 HD2 PHE A 121 -9.556 -19.587 1.071 1.00 2.30 H new ATOM 0 HE1 PHE A 121 -13.681 -18.116 -1.170 1.00 2.94 H new ATOM 0 HE2 PHE A 121 -10.861 -21.182 -0.264 1.00 3.35 H new ATOM 0 HZ PHE A 121 -12.926 -20.451 -1.387 1.00 3.53 H new ATOM 1294 N THR A 122 -8.259 -14.741 2.452 1.00 0.05 N ATOM 1295 CA THR A 122 -7.785 -13.796 3.457 1.00 0.06 C ATOM 1296 C THR A 122 -7.295 -12.498 2.819 1.00 0.05 C ATOM 1297 O THR A 122 -7.333 -11.441 3.444 1.00 0.06 O ATOM 1298 CB THR A 122 -6.663 -14.421 4.285 1.00 0.08 C ATOM 1299 OG1 THR A 122 -6.926 -15.792 4.531 1.00 1.05 O ATOM 1300 CG2 THR A 122 -6.458 -13.746 5.623 1.00 1.14 C ATOM 0 H THR A 122 -7.625 -15.520 2.273 1.00 0.05 H new ATOM 0 HA THR A 122 -8.626 -13.558 4.108 1.00 0.06 H new ATOM 0 HB THR A 122 -5.759 -14.292 3.690 1.00 0.08 H new ATOM 0 HG1 THR A 122 -6.196 -16.175 5.061 1.00 1.05 H new ATOM 0 HG21 THR A 122 -5.647 -14.239 6.159 1.00 1.14 H new ATOM 0 HG22 THR A 122 -6.205 -12.697 5.467 1.00 1.14 H new ATOM 0 HG23 THR A 122 -7.374 -13.814 6.209 1.00 1.14 H new ATOM 1308 N ALA A 123 -6.827 -12.581 1.579 1.00 0.05 N ATOM 1309 CA ALA A 123 -6.323 -11.406 0.875 1.00 0.06 C ATOM 1310 C ALA A 123 -7.310 -10.243 0.948 1.00 0.05 C ATOM 1311 O ALA A 123 -6.926 -9.109 1.236 1.00 0.10 O ATOM 1312 CB ALA A 123 -6.024 -11.744 -0.576 1.00 0.06 C ATOM 0 H ALA A 123 -6.786 -13.447 1.041 1.00 0.05 H new ATOM 0 HA ALA A 123 -5.401 -11.098 1.368 1.00 0.06 H new ATOM 0 HB1 ALA A 123 -5.649 -10.857 -1.086 1.00 0.06 H new ATOM 0 HB2 ALA A 123 -5.272 -12.532 -0.619 1.00 0.06 H new ATOM 0 HB3 ALA A 123 -6.936 -12.086 -1.065 1.00 0.06 H new ATOM 1318 N ARG A 124 -8.577 -10.529 0.674 1.00 0.05 N ATOM 1319 CA ARG A 124 -9.614 -9.503 0.696 1.00 0.06 C ATOM 1320 C ARG A 124 -9.861 -8.982 2.110 1.00 0.05 C ATOM 1321 O ARG A 124 -10.144 -7.800 2.303 1.00 0.10 O ATOM 1322 CB ARG A 124 -10.914 -10.055 0.110 1.00 0.11 C ATOM 1323 CG ARG A 124 -11.942 -10.433 1.162 1.00 0.74 C ATOM 1324 CD ARG A 124 -13.072 -11.258 0.566 1.00 1.24 C ATOM 1325 NE ARG A 124 -14.294 -11.170 1.364 1.00 2.16 N ATOM 1326 CZ ARG A 124 -15.315 -12.017 1.257 1.00 2.66 C ATOM 1327 NH1 ARG A 124 -15.272 -13.021 0.387 1.00 2.57 N ATOM 1328 NH2 ARG A 124 -16.385 -11.862 2.025 1.00 3.74 N ATOM 0 H ARG A 124 -8.912 -11.462 0.434 1.00 0.05 H new ATOM 0 HA ARG A 124 -9.266 -8.668 0.087 1.00 0.06 H new ATOM 0 HB2 ARG A 124 -11.347 -9.310 -0.558 1.00 0.11 H new ATOM 0 HB3 ARG A 124 -10.686 -10.932 -0.495 1.00 0.11 H new ATOM 0 HG2 ARG A 124 -11.458 -10.998 1.958 1.00 0.74 H new ATOM 0 HG3 ARG A 124 -12.350 -9.529 1.615 1.00 0.74 H new ATOM 0 HD2 ARG A 124 -13.276 -10.915 -0.448 1.00 1.24 H new ATOM 0 HD3 ARG A 124 -12.761 -12.300 0.493 1.00 1.24 H new ATOM 0 HE ARG A 124 -14.369 -10.413 2.044 1.00 2.16 H new ATOM 0 HH11 ARG A 124 -14.452 -13.147 -0.206 1.00 2.57 H new ATOM 0 HH12 ARG A 124 -16.059 -13.665 0.312 1.00 2.57 H new ATOM 0 HH21 ARG A 124 -16.424 -11.095 2.696 1.00 3.74 H new ATOM 0 HH22 ARG A 124 -17.169 -12.510 1.945 1.00 3.74 H new ATOM 1342 N GLY A 125 -9.757 -9.868 3.095 1.00 0.08 N ATOM 1343 CA GLY A 125 -9.980 -9.471 4.475 1.00 0.09 C ATOM 1344 C GLY A 125 -8.762 -8.821 5.107 1.00 0.07 C ATOM 1345 O GLY A 125 -8.888 -8.030 6.041 1.00 0.10 O ATOM 0 H GLY A 125 -9.523 -10.852 2.964 1.00 0.08 H new ATOM 0 HA2 GLY A 125 -10.819 -8.776 4.517 1.00 0.09 H new ATOM 0 HA3 GLY A 125 -10.262 -10.347 5.059 1.00 0.09 H new ATOM 1349 N ARG A 126 -7.581 -9.159 4.599 1.00 0.07 N ATOM 1350 CA ARG A 126 -6.337 -8.608 5.121 1.00 0.09 C ATOM 1351 C ARG A 126 -6.157 -7.159 4.683 1.00 0.13 C ATOM 1352 O ARG A 126 -5.613 -6.339 5.422 1.00 0.23 O ATOM 1353 CB ARG A 126 -5.149 -9.449 4.648 1.00 0.11 C ATOM 1354 CG ARG A 126 -4.413 -10.151 5.776 1.00 1.17 C ATOM 1355 CD ARG A 126 -3.550 -9.180 6.566 1.00 1.75 C ATOM 1356 NE ARG A 126 -2.845 -9.842 7.661 1.00 2.55 N ATOM 1357 CZ ARG A 126 -3.432 -10.252 8.783 1.00 3.46 C ATOM 1358 NH1 ARG A 126 -4.735 -10.073 8.969 1.00 3.78 N ATOM 1359 NH2 ARG A 126 -2.712 -10.847 9.724 1.00 4.47 N ATOM 0 H ARG A 126 -7.460 -9.813 3.825 1.00 0.07 H new ATOM 0 HA ARG A 126 -6.383 -8.634 6.210 1.00 0.09 H new ATOM 0 HB2 ARG A 126 -5.503 -10.195 3.937 1.00 0.11 H new ATOM 0 HB3 ARG A 126 -4.449 -8.806 4.114 1.00 0.11 H new ATOM 0 HG2 ARG A 126 -5.133 -10.625 6.443 1.00 1.17 H new ATOM 0 HG3 ARG A 126 -3.788 -10.945 5.366 1.00 1.17 H new ATOM 0 HD2 ARG A 126 -2.826 -8.712 5.899 1.00 1.75 H new ATOM 0 HD3 ARG A 126 -4.175 -8.382 6.967 1.00 1.75 H new ATOM 0 HE ARG A 126 -1.842 -10.000 7.560 1.00 2.55 H new ATOM 0 HH11 ARG A 126 -5.295 -9.618 8.248 1.00 3.78 H new ATOM 0 HH12 ARG A 126 -5.175 -10.391 9.832 1.00 3.78 H new ATOM 0 HH21 ARG A 126 -1.711 -10.989 9.587 1.00 4.47 H new ATOM 0 HH22 ARG A 126 -3.159 -11.162 10.585 1.00 4.47 H new ATOM 1373 N PHE A 127 -6.615 -6.851 3.474 1.00 0.10 N ATOM 1374 CA PHE A 127 -6.503 -5.501 2.936 1.00 0.12 C ATOM 1375 C PHE A 127 -7.189 -4.489 3.848 1.00 0.12 C ATOM 1376 O PHE A 127 -6.585 -3.499 4.261 1.00 0.20 O ATOM 1377 CB PHE A 127 -7.111 -5.434 1.534 1.00 0.14 C ATOM 1378 CG PHE A 127 -7.335 -4.032 1.045 1.00 0.57 C ATOM 1379 CD1 PHE A 127 -6.280 -3.280 0.552 1.00 1.28 C ATOM 1380 CD2 PHE A 127 -8.598 -3.464 1.082 1.00 1.52 C ATOM 1381 CE1 PHE A 127 -6.482 -1.988 0.106 1.00 1.57 C ATOM 1382 CE2 PHE A 127 -8.806 -2.173 0.636 1.00 1.89 C ATOM 1383 CZ PHE A 127 -7.747 -1.434 0.147 1.00 1.55 C ATOM 0 H PHE A 127 -7.067 -7.518 2.849 1.00 0.10 H new ATOM 0 HA PHE A 127 -5.444 -5.250 2.878 1.00 0.12 H new ATOM 0 HB2 PHE A 127 -6.454 -5.953 0.836 1.00 0.14 H new ATOM 0 HB3 PHE A 127 -8.062 -5.967 1.533 1.00 0.14 H new ATOM 0 HD1 PHE A 127 -5.289 -3.709 0.516 1.00 1.28 H new ATOM 0 HD2 PHE A 127 -9.430 -4.037 1.464 1.00 1.52 H new ATOM 0 HE1 PHE A 127 -5.652 -1.412 -0.274 1.00 1.57 H new ATOM 0 HE2 PHE A 127 -9.796 -1.742 0.670 1.00 1.89 H new ATOM 0 HZ PHE A 127 -7.907 -0.425 -0.203 1.00 1.55 H new ATOM 1393 N ALA A 128 -8.457 -4.743 4.154 1.00 0.05 N ATOM 1394 CA ALA A 128 -9.231 -3.856 5.013 1.00 0.06 C ATOM 1395 C ALA A 128 -8.604 -3.732 6.399 1.00 0.09 C ATOM 1396 O ALA A 128 -8.640 -2.667 7.015 1.00 0.12 O ATOM 1397 CB ALA A 128 -10.666 -4.351 5.119 1.00 0.07 C ATOM 0 H ALA A 128 -8.971 -5.558 3.819 1.00 0.05 H new ATOM 0 HA ALA A 128 -9.230 -2.864 4.561 1.00 0.06 H new ATOM 0 HB1 ALA A 128 -11.235 -3.681 5.763 1.00 0.07 H new ATOM 0 HB2 ALA A 128 -11.118 -4.372 4.127 1.00 0.07 H new ATOM 0 HB3 ALA A 128 -10.674 -5.355 5.543 1.00 0.07 H new ATOM 1403 N THR A 129 -8.033 -4.829 6.888 1.00 0.09 N ATOM 1404 CA THR A 129 -7.402 -4.844 8.204 1.00 0.12 C ATOM 1405 C THR A 129 -6.153 -3.965 8.230 1.00 0.14 C ATOM 1406 O THR A 129 -5.814 -3.383 9.260 1.00 0.19 O ATOM 1407 CB THR A 129 -7.038 -6.275 8.598 1.00 0.12 C ATOM 1408 OG1 THR A 129 -8.199 -7.084 8.670 1.00 0.44 O ATOM 1409 CG2 THR A 129 -6.331 -6.373 9.932 1.00 0.49 C ATOM 0 H THR A 129 -7.994 -5.720 6.392 1.00 0.09 H new ATOM 0 HA THR A 129 -8.117 -4.442 8.922 1.00 0.12 H new ATOM 0 HB THR A 129 -6.358 -6.622 7.820 1.00 0.12 H new ATOM 0 HG1 THR A 129 -8.422 -7.416 7.775 1.00 0.44 H new ATOM 0 HG21 THR A 129 -6.103 -7.417 10.147 1.00 0.49 H new ATOM 0 HG22 THR A 129 -5.405 -5.799 9.896 1.00 0.49 H new ATOM 0 HG23 THR A 129 -6.975 -5.973 10.715 1.00 0.49 H new ATOM 1417 N VAL A 130 -5.471 -3.878 7.092 1.00 0.16 N ATOM 1418 CA VAL A 130 -4.257 -3.076 6.988 1.00 0.19 C ATOM 1419 C VAL A 130 -4.577 -1.588 6.879 1.00 0.17 C ATOM 1420 O VAL A 130 -4.092 -0.781 7.670 1.00 0.23 O ATOM 1421 CB VAL A 130 -3.418 -3.492 5.768 1.00 0.23 C ATOM 1422 CG1 VAL A 130 -2.355 -2.448 5.466 1.00 0.23 C ATOM 1423 CG2 VAL A 130 -2.789 -4.859 5.994 1.00 0.52 C ATOM 0 H VAL A 130 -5.738 -4.353 6.230 1.00 0.16 H new ATOM 0 HA VAL A 130 -3.687 -3.254 7.900 1.00 0.19 H new ATOM 0 HB VAL A 130 -4.078 -3.560 4.903 1.00 0.23 H new ATOM 0 HG11 VAL A 130 -1.773 -2.762 4.600 1.00 0.23 H new ATOM 0 HG12 VAL A 130 -2.834 -1.492 5.255 1.00 0.23 H new ATOM 0 HG13 VAL A 130 -1.695 -2.341 6.327 1.00 0.23 H new ATOM 0 HG21 VAL A 130 -2.199 -5.137 5.121 1.00 0.52 H new ATOM 0 HG22 VAL A 130 -2.143 -4.822 6.871 1.00 0.52 H new ATOM 0 HG23 VAL A 130 -3.574 -5.599 6.152 1.00 0.52 H new ATOM 1433 N VAL A 131 -5.397 -1.231 5.894 1.00 0.13 N ATOM 1434 CA VAL A 131 -5.776 0.163 5.688 1.00 0.13 C ATOM 1435 C VAL A 131 -6.367 0.765 6.957 1.00 0.10 C ATOM 1436 O VAL A 131 -6.091 1.916 7.295 1.00 0.14 O ATOM 1437 CB VAL A 131 -6.791 0.318 4.539 1.00 0.16 C ATOM 1438 CG1 VAL A 131 -6.086 0.257 3.194 1.00 1.10 C ATOM 1439 CG2 VAL A 131 -7.883 -0.740 4.627 1.00 1.08 C ATOM 0 H VAL A 131 -5.810 -1.885 5.229 1.00 0.13 H new ATOM 0 HA VAL A 131 -4.863 0.696 5.423 1.00 0.13 H new ATOM 0 HB VAL A 131 -7.265 1.295 4.634 1.00 0.16 H new ATOM 0 HG11 VAL A 131 -6.818 0.368 2.394 1.00 1.10 H new ATOM 0 HG12 VAL A 131 -5.354 1.062 3.130 1.00 1.10 H new ATOM 0 HG13 VAL A 131 -5.580 -0.703 3.092 1.00 1.10 H new ATOM 0 HG21 VAL A 131 -8.585 -0.607 3.804 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -7.435 -1.732 4.565 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -8.411 -0.639 5.575 1.00 1.08 H new ATOM 1449 N GLU A 132 -7.181 -0.017 7.656 1.00 0.10 N ATOM 1450 CA GLU A 132 -7.810 0.443 8.889 1.00 0.09 C ATOM 1451 C GLU A 132 -6.775 1.051 9.829 1.00 0.08 C ATOM 1452 O GLU A 132 -7.044 2.040 10.508 1.00 0.10 O ATOM 1453 CB GLU A 132 -8.532 -0.713 9.585 1.00 0.12 C ATOM 1454 CG GLU A 132 -10.022 -0.477 9.766 1.00 1.26 C ATOM 1455 CD GLU A 132 -10.725 -1.646 10.429 1.00 1.95 C ATOM 1456 OE1 GLU A 132 -10.329 -2.802 10.168 1.00 2.69 O ATOM 1457 OE2 GLU A 132 -11.671 -1.406 11.208 1.00 2.40 O ATOM 0 H GLU A 132 -7.421 -0.972 7.391 1.00 0.10 H new ATOM 0 HA GLU A 132 -8.539 1.211 8.631 1.00 0.09 H new ATOM 0 HB2 GLU A 132 -8.384 -1.624 9.005 1.00 0.12 H new ATOM 0 HB3 GLU A 132 -8.077 -0.879 10.562 1.00 0.12 H new ATOM 0 HG2 GLU A 132 -10.173 0.420 10.366 1.00 1.26 H new ATOM 0 HG3 GLU A 132 -10.477 -0.290 8.793 1.00 1.26 H new ATOM 1464 N GLU A 133 -5.589 0.450 9.862 1.00 0.09 N ATOM 1465 CA GLU A 133 -4.512 0.932 10.719 1.00 0.11 C ATOM 1466 C GLU A 133 -3.839 2.168 10.126 1.00 0.12 C ATOM 1467 O GLU A 133 -3.289 2.993 10.855 1.00 0.16 O ATOM 1468 CB GLU A 133 -3.477 -0.174 10.945 1.00 0.14 C ATOM 1469 CG GLU A 133 -2.328 -0.158 9.949 1.00 0.45 C ATOM 1470 CD GLU A 133 -1.134 0.632 10.445 1.00 1.00 C ATOM 1471 OE1 GLU A 133 -1.255 1.294 11.497 1.00 1.91 O ATOM 1472 OE2 GLU A 133 -0.077 0.587 9.782 1.00 1.45 O ATOM 0 H GLU A 133 -5.350 -0.371 9.306 1.00 0.09 H new ATOM 0 HA GLU A 133 -4.949 1.213 11.677 1.00 0.11 H new ATOM 0 HB2 GLU A 133 -3.072 -0.079 11.953 1.00 0.14 H new ATOM 0 HB3 GLU A 133 -3.977 -1.141 10.892 1.00 0.14 H new ATOM 0 HG2 GLU A 133 -2.019 -1.182 9.740 1.00 0.45 H new ATOM 0 HG3 GLU A 133 -2.675 0.268 9.008 1.00 0.45 H new ATOM 1479 N LEU A 134 -3.877 2.289 8.800 1.00 0.15 N ATOM 1480 CA LEU A 134 -3.260 3.425 8.124 1.00 0.19 C ATOM 1481 C LEU A 134 -3.808 4.738 8.674 1.00 0.20 C ATOM 1482 O LEU A 134 -3.078 5.721 8.809 1.00 0.22 O ATOM 1483 CB LEU A 134 -3.500 3.343 6.609 1.00 0.22 C ATOM 1484 CG LEU A 134 -2.623 4.251 5.729 1.00 0.61 C ATOM 1485 CD1 LEU A 134 -3.394 5.487 5.300 1.00 1.21 C ATOM 1486 CD2 LEU A 134 -1.342 4.651 6.442 1.00 0.60 C ATOM 0 H LEU A 134 -4.326 1.618 8.177 1.00 0.15 H new ATOM 0 HA LEU A 134 -2.186 3.392 8.310 1.00 0.19 H new ATOM 0 HB2 LEU A 134 -3.347 2.311 6.294 1.00 0.22 H new ATOM 0 HB3 LEU A 134 -4.545 3.584 6.415 1.00 0.22 H new ATOM 0 HG LEU A 134 -2.348 3.681 4.841 1.00 0.61 H new ATOM 0 HD11 LEU A 134 -2.757 6.116 4.679 1.00 1.21 H new ATOM 0 HD12 LEU A 134 -4.274 5.188 4.731 1.00 1.21 H new ATOM 0 HD13 LEU A 134 -3.706 6.046 6.182 1.00 1.21 H new ATOM 0 HD21 LEU A 134 -0.748 5.292 5.790 1.00 0.60 H new ATOM 0 HD22 LEU A 134 -1.588 5.191 7.356 1.00 0.60 H new ATOM 0 HD23 LEU A 134 -0.770 3.757 6.691 1.00 0.60 H new ATOM 1498 N PHE A 135 -5.096 4.742 9.003 1.00 0.21 N ATOM 1499 CA PHE A 135 -5.741 5.929 9.555 1.00 0.24 C ATOM 1500 C PHE A 135 -6.563 5.571 10.789 1.00 0.20 C ATOM 1501 O PHE A 135 -7.762 5.309 10.695 1.00 0.23 O ATOM 1502 CB PHE A 135 -6.638 6.613 8.516 1.00 0.30 C ATOM 1503 CG PHE A 135 -6.744 5.889 7.200 1.00 0.83 C ATOM 1504 CD1 PHE A 135 -7.240 4.597 7.136 1.00 1.35 C ATOM 1505 CD2 PHE A 135 -6.359 6.514 6.023 1.00 1.85 C ATOM 1506 CE1 PHE A 135 -7.345 3.940 5.925 1.00 2.03 C ATOM 1507 CE2 PHE A 135 -6.466 5.862 4.810 1.00 2.57 C ATOM 1508 CZ PHE A 135 -6.958 4.573 4.760 1.00 2.49 C ATOM 0 H PHE A 135 -5.714 3.937 8.897 1.00 0.21 H new ATOM 0 HA PHE A 135 -4.952 6.625 9.840 1.00 0.24 H new ATOM 0 HB2 PHE A 135 -7.638 6.723 8.936 1.00 0.30 H new ATOM 0 HB3 PHE A 135 -6.257 7.618 8.333 1.00 0.30 H new ATOM 0 HD1 PHE A 135 -7.548 4.098 8.043 1.00 1.35 H new ATOM 0 HD2 PHE A 135 -5.971 7.521 6.055 1.00 1.85 H new ATOM 0 HE1 PHE A 135 -7.730 2.931 5.889 1.00 2.03 H new ATOM 0 HE2 PHE A 135 -6.165 6.361 3.901 1.00 2.57 H new ATOM 0 HZ PHE A 135 -7.040 4.061 3.813 1.00 2.49 H new ATOM 1518 N ARG A 136 -5.907 5.560 11.946 1.00 0.18 N ATOM 1519 CA ARG A 136 -6.576 5.231 13.199 1.00 0.16 C ATOM 1520 C ARG A 136 -7.318 6.443 13.757 1.00 0.16 C ATOM 1521 O ARG A 136 -8.512 6.370 14.050 1.00 0.34 O ATOM 1522 CB ARG A 136 -5.559 4.725 14.227 1.00 0.17 C ATOM 1523 CG ARG A 136 -5.612 3.222 14.451 1.00 1.28 C ATOM 1524 CD ARG A 136 -7.014 2.757 14.813 1.00 1.92 C ATOM 1525 NE ARG A 136 -7.071 2.176 16.153 1.00 2.71 N ATOM 1526 CZ ARG A 136 -7.230 2.887 17.270 1.00 3.41 C ATOM 1527 NH1 ARG A 136 -7.327 4.210 17.224 1.00 3.59 N ATOM 1528 NH2 ARG A 136 -7.284 2.268 18.443 1.00 4.33 N ATOM 0 H ARG A 136 -4.914 5.775 12.041 1.00 0.18 H new ATOM 0 HA ARG A 136 -7.303 4.444 12.997 1.00 0.16 H new ATOM 0 HB2 ARG A 136 -4.557 4.999 13.898 1.00 0.17 H new ATOM 0 HB3 ARG A 136 -5.733 5.231 15.177 1.00 0.17 H new ATOM 0 HG2 ARG A 136 -5.279 2.708 13.549 1.00 1.28 H new ATOM 0 HG3 ARG A 136 -4.921 2.948 15.248 1.00 1.28 H new ATOM 0 HD2 ARG A 136 -7.702 3.601 14.754 1.00 1.92 H new ATOM 0 HD3 ARG A 136 -7.351 2.020 14.084 1.00 1.92 H new ATOM 0 HE ARG A 136 -6.984 1.163 16.239 1.00 2.71 H new ATOM 0 HH11 ARG A 136 -7.280 4.694 16.327 1.00 3.59 H new ATOM 0 HH12 ARG A 136 -7.448 4.743 18.085 1.00 3.59 H new ATOM 0 HH21 ARG A 136 -7.204 1.252 18.488 1.00 4.33 H new ATOM 0 HH22 ARG A 136 -7.405 2.808 19.300 1.00 4.33 H new ATOM 1542 N ASP A 137 -6.604 7.554 13.905 1.00 0.14 N ATOM 1543 CA ASP A 137 -7.196 8.780 14.432 1.00 0.14 C ATOM 1544 C ASP A 137 -7.934 9.546 13.339 1.00 0.14 C ATOM 1545 O ASP A 137 -9.160 9.652 13.361 1.00 0.19 O ATOM 1546 CB ASP A 137 -6.114 9.667 15.053 1.00 0.15 C ATOM 1547 CG ASP A 137 -6.383 9.967 16.514 1.00 1.26 C ATOM 1548 OD1 ASP A 137 -7.549 10.257 16.855 1.00 2.04 O ATOM 1549 OD2 ASP A 137 -5.429 9.912 17.318 1.00 1.88 O ATOM 0 H ASP A 137 -5.615 7.631 13.668 1.00 0.14 H new ATOM 0 HA ASP A 137 -7.916 8.503 15.202 1.00 0.14 H new ATOM 0 HB2 ASP A 137 -5.146 9.175 14.958 1.00 0.15 H new ATOM 0 HB3 ASP A 137 -6.052 10.603 14.498 1.00 0.15 H new ATOM 1554 N GLY A 138 -7.179 10.079 12.386 1.00 0.15 N ATOM 1555 CA GLY A 138 -7.778 10.829 11.298 1.00 0.17 C ATOM 1556 C GLY A 138 -6.999 10.691 10.006 1.00 0.15 C ATOM 1557 O GLY A 138 -5.913 10.112 9.987 1.00 0.31 O ATOM 0 H GLY A 138 -6.162 10.005 12.347 1.00 0.15 H new ATOM 0 HA2 GLY A 138 -8.800 10.484 11.142 1.00 0.17 H new ATOM 0 HA3 GLY A 138 -7.835 11.882 11.574 1.00 0.17 H new ATOM 1561 N VAL A 139 -7.553 11.223 8.922 1.00 0.22 N ATOM 1562 CA VAL A 139 -6.900 11.155 7.621 1.00 0.17 C ATOM 1563 C VAL A 139 -6.147 12.445 7.320 1.00 0.18 C ATOM 1564 O VAL A 139 -6.436 13.494 7.895 1.00 0.24 O ATOM 1565 CB VAL A 139 -7.913 10.890 6.493 1.00 0.17 C ATOM 1566 CG1 VAL A 139 -7.189 10.565 5.195 1.00 1.26 C ATOM 1567 CG2 VAL A 139 -8.861 9.765 6.878 1.00 1.16 C ATOM 0 H VAL A 139 -8.452 11.705 8.919 1.00 0.22 H new ATOM 0 HA VAL A 139 -6.195 10.325 7.664 1.00 0.17 H new ATOM 0 HB VAL A 139 -8.503 11.793 6.339 1.00 0.17 H new ATOM 0 HG11 VAL A 139 -7.919 10.380 4.407 1.00 1.26 H new ATOM 0 HG12 VAL A 139 -6.555 11.405 4.912 1.00 1.26 H new ATOM 0 HG13 VAL A 139 -6.573 9.676 5.334 1.00 1.26 H new ATOM 0 HG21 VAL A 139 -9.569 9.593 6.068 1.00 1.16 H new ATOM 0 HG22 VAL A 139 -8.290 8.855 7.061 1.00 1.16 H new ATOM 0 HG23 VAL A 139 -9.404 10.040 7.782 1.00 1.16 H new ATOM 1577 N ASN A 140 -5.178 12.362 6.415 1.00 0.20 N ATOM 1578 CA ASN A 140 -4.385 13.524 6.041 1.00 0.22 C ATOM 1579 C ASN A 140 -3.533 13.226 4.815 1.00 0.19 C ATOM 1580 O ASN A 140 -3.078 12.098 4.627 1.00 0.19 O ATOM 1581 CB ASN A 140 -3.488 13.950 7.204 1.00 0.25 C ATOM 1582 CG ASN A 140 -3.598 15.430 7.507 1.00 1.23 C ATOM 1583 OD1 ASN A 140 -3.035 16.265 6.797 1.00 2.22 O ATOM 1584 ND2 ASN A 140 -4.328 15.765 8.565 1.00 1.66 N ATOM 0 H ASN A 140 -4.924 11.502 5.928 1.00 0.20 H new ATOM 0 HA ASN A 140 -5.069 14.338 5.800 1.00 0.22 H new ATOM 0 HB2 ASN A 140 -3.755 13.379 8.093 1.00 0.25 H new ATOM 0 HB3 ASN A 140 -2.452 13.706 6.968 1.00 0.25 H new ATOM 0 HD21 ASN A 140 -4.440 16.747 8.817 1.00 1.66 H new ATOM 0 HD22 ASN A 140 -4.777 15.040 9.125 1.00 1.66 H new ATOM 1591 N TRP A 141 -3.316 14.246 3.986 1.00 0.00 N ATOM 1592 CA TRP A 141 -2.513 14.094 2.776 1.00 0.00 C ATOM 1593 C TRP A 141 -1.220 13.341 3.069 1.00 0.00 C ATOM 1594 O TRP A 141 -0.680 12.656 2.202 1.00 0.00 O ATOM 1595 CB TRP A 141 -2.186 15.482 2.159 1.00 0.00 C ATOM 1596 CG TRP A 141 -1.727 16.540 3.167 1.00 0.00 C ATOM 1597 CD1 TRP A 141 -0.507 16.529 3.873 1.00 0.00 C ATOM 1598 CD2 TRP A 141 -2.391 17.677 3.578 1.00 0.00 C ATOM 1599 NE1 TRP A 141 -0.388 17.647 4.721 1.00 0.00 N ATOM 1600 CE2 TRP A 141 -1.570 18.343 4.521 1.00 0.00 C ATOM 1601 CE3 TRP A 141 -3.667 18.196 3.237 1.00 0.00 C ATOM 1602 CZ2 TRP A 141 -2.014 19.541 5.123 1.00 0.00 C ATOM 1603 CZ3 TRP A 141 -4.081 19.384 3.840 1.00 0.00 C ATOM 1604 CH2 TRP A 141 -3.266 20.049 4.768 1.00 0.00 C ATOM 0 H TRP A 141 -3.685 15.186 4.131 1.00 0.00 H new ATOM 0 HA TRP A 141 -3.097 13.516 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -1.408 15.355 1.406 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -3.072 15.852 1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 141 0.244 15.759 3.776 1.00 0.00 H new ATOM 0 HE1 TRP A 141 0.387 17.888 5.338 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -4.302 17.684 2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -1.397 20.055 5.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -5.046 19.799 3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -3.612 20.969 5.215 1.00 0.00 H new ATOM 1615 N GLY A 142 -0.728 13.468 4.297 1.00 0.29 N ATOM 1616 CA GLY A 142 0.494 12.790 4.676 1.00 0.31 C ATOM 1617 C GLY A 142 0.340 11.282 4.744 1.00 0.23 C ATOM 1618 O GLY A 142 1.205 10.549 4.283 1.00 0.27 O ATOM 0 H GLY A 142 -1.155 14.028 5.035 1.00 0.29 H new ATOM 0 HA2 GLY A 142 1.277 13.038 3.960 1.00 0.31 H new ATOM 0 HA3 GLY A 142 0.822 13.160 5.647 1.00 0.31 H new ATOM 1622 N ARG A 143 -0.752 10.821 5.341 1.00 0.22 N ATOM 1623 CA ARG A 143 -0.998 9.383 5.483 1.00 0.25 C ATOM 1624 C ARG A 143 -1.450 8.723 4.177 1.00 0.21 C ATOM 1625 O ARG A 143 -1.063 7.592 3.881 1.00 0.32 O ATOM 1626 CB ARG A 143 -2.024 9.087 6.585 1.00 0.38 C ATOM 1627 CG ARG A 143 -2.221 10.206 7.599 1.00 0.65 C ATOM 1628 CD ARG A 143 -0.897 10.687 8.168 1.00 1.05 C ATOM 1629 NE ARG A 143 -0.927 10.773 9.625 1.00 1.53 N ATOM 1630 CZ ARG A 143 0.159 10.903 10.383 1.00 2.13 C ATOM 1631 NH1 ARG A 143 1.365 10.964 9.830 1.00 2.54 N ATOM 1632 NH2 ARG A 143 0.039 10.972 11.702 1.00 2.93 N ATOM 0 H ARG A 143 -1.481 11.415 5.735 1.00 0.22 H new ATOM 0 HA ARG A 143 -0.037 8.952 5.763 1.00 0.25 H new ATOM 0 HB2 ARG A 143 -2.984 8.868 6.117 1.00 0.38 H new ATOM 0 HB3 ARG A 143 -1.715 8.186 7.116 1.00 0.38 H new ATOM 0 HG2 ARG A 143 -2.738 11.040 7.125 1.00 0.65 H new ATOM 0 HG3 ARG A 143 -2.859 9.855 8.410 1.00 0.65 H new ATOM 0 HD2 ARG A 143 -0.102 10.007 7.861 1.00 1.05 H new ATOM 0 HD3 ARG A 143 -0.658 11.666 7.752 1.00 1.05 H new ATOM 0 HE ARG A 143 -1.834 10.731 10.090 1.00 1.53 H new ATOM 0 HH11 ARG A 143 1.464 10.911 8.816 1.00 2.54 H new ATOM 0 HH12 ARG A 143 2.192 11.064 10.419 1.00 2.54 H new ATOM 0 HH21 ARG A 143 -0.884 10.925 12.133 1.00 2.93 H new ATOM 0 HH22 ARG A 143 0.870 11.072 12.285 1.00 2.93 H new ATOM 1646 N ILE A 144 -2.303 9.410 3.419 1.00 0.19 N ATOM 1647 CA ILE A 144 -2.838 8.855 2.173 1.00 0.16 C ATOM 1648 C ILE A 144 -1.747 8.356 1.229 1.00 0.12 C ATOM 1649 O ILE A 144 -1.945 7.369 0.520 1.00 0.17 O ATOM 1650 CB ILE A 144 -3.720 9.871 1.420 1.00 0.18 C ATOM 1651 CG1 ILE A 144 -2.867 10.979 0.804 1.00 1.26 C ATOM 1652 CG2 ILE A 144 -4.773 10.455 2.346 1.00 1.34 C ATOM 1653 CD1 ILE A 144 -2.546 10.751 -0.657 1.00 1.66 C ATOM 0 H ILE A 144 -2.638 10.347 3.643 1.00 0.19 H new ATOM 0 HA ILE A 144 -3.446 8.004 2.480 1.00 0.16 H new ATOM 0 HB ILE A 144 -4.229 9.346 0.611 1.00 0.18 H new ATOM 0 HG12 ILE A 144 -3.389 11.930 0.909 1.00 1.26 H new ATOM 0 HG13 ILE A 144 -1.936 11.063 1.364 1.00 1.26 H new ATOM 0 HG21 ILE A 144 -5.385 11.170 1.796 1.00 1.34 H new ATOM 0 HG22 ILE A 144 -5.406 9.654 2.729 1.00 1.34 H new ATOM 0 HG23 ILE A 144 -4.285 10.961 3.179 1.00 1.34 H new ATOM 0 HD11 ILE A 144 -1.938 11.576 -1.029 1.00 1.66 H new ATOM 0 HD12 ILE A 144 -1.996 9.816 -0.767 1.00 1.66 H new ATOM 0 HD13 ILE A 144 -3.472 10.696 -1.229 1.00 1.66 H new ATOM 1665 N VAL A 145 -0.603 9.029 1.208 1.00 0.11 N ATOM 1666 CA VAL A 145 0.486 8.622 0.329 1.00 0.13 C ATOM 1667 C VAL A 145 0.839 7.158 0.545 1.00 0.12 C ATOM 1668 O VAL A 145 1.160 6.439 -0.400 1.00 0.18 O ATOM 1669 CB VAL A 145 1.733 9.498 0.528 1.00 0.23 C ATOM 1670 CG1 VAL A 145 1.445 10.902 0.060 1.00 1.26 C ATOM 1671 CG2 VAL A 145 2.165 9.531 1.978 1.00 1.00 C ATOM 0 H VAL A 145 -0.406 9.849 1.782 1.00 0.11 H new ATOM 0 HA VAL A 145 0.139 8.754 -0.696 1.00 0.13 H new ATOM 0 HB VAL A 145 2.544 9.065 -0.058 1.00 0.23 H new ATOM 0 HG11 VAL A 145 2.330 11.522 0.202 1.00 1.26 H new ATOM 0 HG12 VAL A 145 1.179 10.886 -0.997 1.00 1.26 H new ATOM 0 HG13 VAL A 145 0.617 11.315 0.636 1.00 1.26 H new ATOM 0 HG21 VAL A 145 3.049 10.160 2.080 1.00 1.00 H new ATOM 0 HG22 VAL A 145 1.359 9.937 2.589 1.00 1.00 H new ATOM 0 HG23 VAL A 145 2.399 8.520 2.311 1.00 1.00 H new ATOM 1681 N ALA A 146 0.753 6.718 1.792 1.00 0.13 N ATOM 1682 CA ALA A 146 1.036 5.333 2.133 1.00 0.19 C ATOM 1683 C ALA A 146 -0.045 4.406 1.577 1.00 0.19 C ATOM 1684 O ALA A 146 0.212 3.237 1.292 1.00 0.29 O ATOM 1685 CB ALA A 146 1.145 5.182 3.641 1.00 0.25 C ATOM 0 H ALA A 146 0.489 7.302 2.585 1.00 0.13 H new ATOM 0 HA ALA A 146 1.987 5.050 1.681 1.00 0.19 H new ATOM 0 HB1 ALA A 146 1.357 4.142 3.888 1.00 0.25 H new ATOM 0 HB2 ALA A 146 1.951 5.815 4.013 1.00 0.25 H new ATOM 0 HB3 ALA A 146 0.205 5.481 4.105 1.00 0.25 H new ATOM 1691 N PHE A 147 -1.258 4.940 1.431 1.00 0.18 N ATOM 1692 CA PHE A 147 -2.387 4.171 0.917 1.00 0.23 C ATOM 1693 C PHE A 147 -2.065 3.549 -0.438 1.00 0.22 C ATOM 1694 O PHE A 147 -2.237 2.347 -0.637 1.00 0.29 O ATOM 1695 CB PHE A 147 -3.619 5.073 0.798 1.00 0.29 C ATOM 1696 CG PHE A 147 -4.895 4.327 0.528 1.00 0.42 C ATOM 1697 CD1 PHE A 147 -5.106 3.705 -0.692 1.00 0.96 C ATOM 1698 CD2 PHE A 147 -5.885 4.251 1.495 1.00 1.57 C ATOM 1699 CE1 PHE A 147 -6.280 3.020 -0.943 1.00 1.03 C ATOM 1700 CE2 PHE A 147 -7.061 3.568 1.250 1.00 1.77 C ATOM 1701 CZ PHE A 147 -7.258 2.951 0.028 1.00 0.99 C ATOM 0 H PHE A 147 -1.482 5.907 1.663 1.00 0.18 H new ATOM 0 HA PHE A 147 -2.593 3.362 1.618 1.00 0.23 H new ATOM 0 HB2 PHE A 147 -3.731 5.643 1.721 1.00 0.29 H new ATOM 0 HB3 PHE A 147 -3.454 5.793 -0.003 1.00 0.29 H new ATOM 0 HD1 PHE A 147 -4.344 3.756 -1.456 1.00 0.96 H new ATOM 0 HD2 PHE A 147 -5.736 4.731 2.451 1.00 1.57 H new ATOM 0 HE1 PHE A 147 -6.432 2.539 -1.898 1.00 1.03 H new ATOM 0 HE2 PHE A 147 -7.825 3.516 2.012 1.00 1.77 H new ATOM 0 HZ PHE A 147 -8.176 2.416 -0.166 1.00 0.99 H new ATOM 1711 N PHE A 148 -1.600 4.376 -1.370 1.00 0.19 N ATOM 1712 CA PHE A 148 -1.257 3.904 -2.708 1.00 0.21 C ATOM 1713 C PHE A 148 -0.226 2.783 -2.644 1.00 0.21 C ATOM 1714 O PHE A 148 -0.390 1.738 -3.272 1.00 0.26 O ATOM 1715 CB PHE A 148 -0.713 5.056 -3.555 1.00 0.24 C ATOM 1716 CG PHE A 148 -1.749 6.072 -3.958 1.00 0.74 C ATOM 1717 CD1 PHE A 148 -3.041 6.026 -3.447 1.00 1.54 C ATOM 1718 CD2 PHE A 148 -1.426 7.077 -4.857 1.00 1.53 C ATOM 1719 CE1 PHE A 148 -3.983 6.964 -3.826 1.00 2.05 C ATOM 1720 CE2 PHE A 148 -2.366 8.015 -5.238 1.00 1.98 C ATOM 1721 CZ PHE A 148 -3.645 7.958 -4.723 1.00 1.99 C ATOM 0 H PHE A 148 -1.452 5.375 -1.224 1.00 0.19 H new ATOM 0 HA PHE A 148 -2.165 3.516 -3.169 1.00 0.21 H new ATOM 0 HB2 PHE A 148 0.076 5.561 -2.997 1.00 0.24 H new ATOM 0 HB3 PHE A 148 -0.255 4.645 -4.455 1.00 0.24 H new ATOM 0 HD1 PHE A 148 -3.312 5.250 -2.747 1.00 1.54 H new ATOM 0 HD2 PHE A 148 -0.427 7.127 -5.264 1.00 1.53 H new ATOM 0 HE1 PHE A 148 -4.983 6.919 -3.421 1.00 2.05 H new ATOM 0 HE2 PHE A 148 -2.100 8.793 -5.939 1.00 1.98 H new ATOM 0 HZ PHE A 148 -4.381 8.690 -5.021 1.00 1.99 H new ATOM 1731 N GLU A 149 0.840 3.015 -1.886 1.00 0.27 N ATOM 1732 CA GLU A 149 1.906 2.032 -1.742 1.00 0.31 C ATOM 1733 C GLU A 149 1.353 0.675 -1.319 1.00 0.30 C ATOM 1734 O GLU A 149 1.728 -0.356 -1.876 1.00 0.39 O ATOM 1735 CB GLU A 149 2.937 2.518 -0.722 1.00 0.41 C ATOM 1736 CG GLU A 149 3.651 3.791 -1.143 1.00 1.11 C ATOM 1737 CD GLU A 149 5.108 3.553 -1.488 1.00 2.14 C ATOM 1738 OE1 GLU A 149 5.887 3.209 -0.573 1.00 3.02 O ATOM 1739 OE2 GLU A 149 5.471 3.710 -2.673 1.00 2.52 O ATOM 0 H GLU A 149 0.988 3.877 -1.361 1.00 0.27 H new ATOM 0 HA GLU A 149 2.388 1.914 -2.712 1.00 0.31 H new ATOM 0 HB2 GLU A 149 2.440 2.688 0.233 1.00 0.41 H new ATOM 0 HB3 GLU A 149 3.676 1.733 -0.561 1.00 0.41 H new ATOM 0 HG2 GLU A 149 3.142 4.221 -2.006 1.00 1.11 H new ATOM 0 HG3 GLU A 149 3.587 4.523 -0.338 1.00 1.11 H new ATOM 1746 N PHE A 150 0.461 0.676 -0.332 1.00 0.28 N ATOM 1747 CA PHE A 150 -0.131 -0.566 0.154 1.00 0.29 C ATOM 1748 C PHE A 150 -0.660 -1.405 -1.002 1.00 0.22 C ATOM 1749 O PHE A 150 -0.292 -2.569 -1.155 1.00 0.25 O ATOM 1750 CB PHE A 150 -1.263 -0.283 1.143 1.00 0.39 C ATOM 1751 CG PHE A 150 -1.906 -1.532 1.677 1.00 0.41 C ATOM 1752 CD1 PHE A 150 -1.159 -2.685 1.862 1.00 0.97 C ATOM 1753 CD2 PHE A 150 -3.256 -1.558 1.991 1.00 1.20 C ATOM 1754 CE1 PHE A 150 -1.743 -3.837 2.349 1.00 1.16 C ATOM 1755 CE2 PHE A 150 -3.847 -2.709 2.478 1.00 1.47 C ATOM 1756 CZ PHE A 150 -3.088 -3.849 2.658 1.00 1.13 C ATOM 0 H PHE A 150 0.134 1.517 0.144 1.00 0.28 H new ATOM 0 HA PHE A 150 0.653 -1.124 0.666 1.00 0.29 H new ATOM 0 HB2 PHE A 150 -0.872 0.302 1.976 1.00 0.39 H new ATOM 0 HB3 PHE A 150 -2.021 0.328 0.653 1.00 0.39 H new ATOM 0 HD1 PHE A 150 -0.106 -2.682 1.622 1.00 0.97 H new ATOM 0 HD2 PHE A 150 -3.853 -0.669 1.854 1.00 1.20 H new ATOM 0 HE1 PHE A 150 -1.148 -4.728 2.488 1.00 1.16 H new ATOM 0 HE2 PHE A 150 -4.900 -2.717 2.717 1.00 1.47 H new ATOM 0 HZ PHE A 150 -3.547 -4.749 3.040 1.00 1.13 H new ATOM 1766 N GLY A 151 -1.522 -0.808 -1.816 1.00 0.24 N ATOM 1767 CA GLY A 151 -2.080 -1.521 -2.948 1.00 0.30 C ATOM 1768 C GLY A 151 -1.004 -2.136 -3.815 1.00 0.30 C ATOM 1769 O GLY A 151 -1.063 -3.321 -4.146 1.00 0.36 O ATOM 0 H GLY A 151 -1.844 0.154 -1.713 1.00 0.24 H new ATOM 0 HA2 GLY A 151 -2.749 -2.304 -2.590 1.00 0.30 H new ATOM 0 HA3 GLY A 151 -2.682 -0.837 -3.547 1.00 0.30 H new ATOM 1773 N GLY A 152 -0.010 -1.332 -4.175 1.00 0.29 N ATOM 1774 CA GLY A 152 1.078 -1.822 -4.997 1.00 0.33 C ATOM 1775 C GLY A 152 1.849 -2.932 -4.313 1.00 0.27 C ATOM 1776 O GLY A 152 2.314 -3.867 -4.966 1.00 0.32 O ATOM 0 H GLY A 152 0.061 -0.349 -3.912 1.00 0.29 H new ATOM 0 HA2 GLY A 152 0.681 -2.187 -5.944 1.00 0.33 H new ATOM 0 HA3 GLY A 152 1.755 -1.000 -5.230 1.00 0.33 H new ATOM 1780 N VAL A 153 1.980 -2.831 -2.994 1.00 0.21 N ATOM 1781 CA VAL A 153 2.696 -3.836 -2.218 1.00 0.17 C ATOM 1782 C VAL A 153 1.936 -5.158 -2.211 1.00 0.13 C ATOM 1783 O VAL A 153 2.522 -6.225 -2.394 1.00 0.13 O ATOM 1784 CB VAL A 153 2.921 -3.374 -0.764 1.00 0.19 C ATOM 1785 CG1 VAL A 153 3.608 -4.465 0.044 1.00 0.26 C ATOM 1786 CG2 VAL A 153 3.733 -2.089 -0.733 1.00 0.17 C ATOM 0 H VAL A 153 1.599 -2.063 -2.441 1.00 0.21 H new ATOM 0 HA VAL A 153 3.666 -3.976 -2.695 1.00 0.17 H new ATOM 0 HB VAL A 153 1.950 -3.176 -0.311 1.00 0.19 H new ATOM 0 HG11 VAL A 153 3.758 -4.120 1.067 1.00 0.26 H new ATOM 0 HG12 VAL A 153 2.986 -5.360 0.050 1.00 0.26 H new ATOM 0 HG13 VAL A 153 4.573 -4.698 -0.406 1.00 0.26 H new ATOM 0 HG21 VAL A 153 3.882 -1.778 0.301 1.00 0.17 H new ATOM 0 HG22 VAL A 153 4.701 -2.259 -1.204 1.00 0.17 H new ATOM 0 HG23 VAL A 153 3.199 -1.308 -1.274 1.00 0.17 H new ATOM 1796 N MET A 154 0.626 -5.078 -2.000 1.00 0.12 N ATOM 1797 CA MET A 154 -0.216 -6.267 -1.976 1.00 0.13 C ATOM 1798 C MET A 154 -0.447 -6.793 -3.389 1.00 0.14 C ATOM 1799 O MET A 154 -0.558 -8.001 -3.601 1.00 0.21 O ATOM 1800 CB MET A 154 -1.556 -5.957 -1.306 1.00 0.18 C ATOM 1801 CG MET A 154 -2.280 -7.193 -0.797 1.00 1.36 C ATOM 1802 SD MET A 154 -3.755 -6.791 0.159 1.00 1.81 S ATOM 1803 CE MET A 154 -3.388 -7.610 1.710 1.00 1.59 C ATOM 0 H MET A 154 0.126 -4.203 -1.843 1.00 0.12 H new ATOM 0 HA MET A 154 0.297 -7.036 -1.399 1.00 0.13 H new ATOM 0 HB2 MET A 154 -1.387 -5.275 -0.472 1.00 0.18 H new ATOM 0 HB3 MET A 154 -2.197 -5.437 -2.018 1.00 0.18 H new ATOM 0 HG2 MET A 154 -2.560 -7.819 -1.644 1.00 1.36 H new ATOM 0 HG3 MET A 154 -1.600 -7.779 -0.179 1.00 1.36 H new ATOM 0 HE1 MET A 154 -4.319 -7.844 2.227 1.00 1.59 H new ATOM 0 HE2 MET A 154 -2.840 -8.532 1.514 1.00 1.59 H new ATOM 0 HE3 MET A 154 -2.782 -6.953 2.334 1.00 1.59 H new ATOM 1813 N CYS A 155 -0.521 -5.880 -4.352 1.00 0.15 N ATOM 1814 CA CYS A 155 -0.740 -6.255 -5.745 1.00 0.17 C ATOM 1815 C CYS A 155 0.387 -7.149 -6.254 1.00 0.15 C ATOM 1816 O CYS A 155 0.145 -8.259 -6.728 1.00 0.21 O ATOM 1817 CB CYS A 155 -0.851 -5.005 -6.621 1.00 0.22 C ATOM 1818 SG CYS A 155 -0.052 -5.162 -8.236 1.00 1.43 S ATOM 0 H CYS A 155 -0.433 -4.876 -4.194 1.00 0.15 H new ATOM 0 HA CYS A 155 -1.674 -6.814 -5.801 1.00 0.17 H new ATOM 0 HB2 CYS A 155 -1.905 -4.771 -6.770 1.00 0.22 H new ATOM 0 HB3 CYS A 155 -0.410 -4.162 -6.090 1.00 0.22 H new ATOM 0 HG CYS A 155 0.721 -4.137 -8.439 1.00 1.43 H new ATOM 1824 N VAL A 156 1.619 -6.660 -6.152 1.00 0.14 N ATOM 1825 CA VAL A 156 2.781 -7.420 -6.601 1.00 0.13 C ATOM 1826 C VAL A 156 2.896 -8.742 -5.851 1.00 0.10 C ATOM 1827 O VAL A 156 3.332 -9.748 -6.409 1.00 0.11 O ATOM 1828 CB VAL A 156 4.090 -6.625 -6.423 1.00 0.17 C ATOM 1829 CG1 VAL A 156 4.232 -5.576 -7.517 1.00 1.36 C ATOM 1830 CG2 VAL A 156 4.150 -5.986 -5.042 1.00 1.38 C ATOM 0 H VAL A 156 1.838 -5.743 -5.763 1.00 0.14 H new ATOM 0 HA VAL A 156 2.632 -7.616 -7.663 1.00 0.13 H new ATOM 0 HB VAL A 156 4.927 -7.318 -6.508 1.00 0.17 H new ATOM 0 HG11 VAL A 156 5.162 -5.025 -7.374 1.00 1.36 H new ATOM 0 HG12 VAL A 156 4.246 -6.065 -8.491 1.00 1.36 H new ATOM 0 HG13 VAL A 156 3.390 -4.885 -7.470 1.00 1.36 H new ATOM 0 HG21 VAL A 156 5.082 -5.430 -4.938 1.00 1.38 H new ATOM 0 HG22 VAL A 156 3.307 -5.307 -4.919 1.00 1.38 H new ATOM 0 HG23 VAL A 156 4.104 -6.763 -4.279 1.00 1.38 H new ATOM 1840 N GLU A 157 2.499 -8.735 -4.581 1.00 0.09 N ATOM 1841 CA GLU A 157 2.557 -9.936 -3.759 1.00 0.10 C ATOM 1842 C GLU A 157 1.870 -11.104 -4.460 1.00 0.08 C ATOM 1843 O GLU A 157 2.325 -12.245 -4.380 1.00 0.10 O ATOM 1844 CB GLU A 157 1.903 -9.685 -2.398 1.00 0.13 C ATOM 1845 CG GLU A 157 2.886 -9.288 -1.310 1.00 0.44 C ATOM 1846 CD GLU A 157 3.851 -10.403 -0.960 1.00 1.42 C ATOM 1847 OE1 GLU A 157 3.527 -11.577 -1.237 1.00 2.19 O ATOM 1848 OE2 GLU A 157 4.930 -10.104 -0.407 1.00 2.20 O ATOM 0 H GLU A 157 2.135 -7.912 -4.101 1.00 0.09 H new ATOM 0 HA GLU A 157 3.606 -10.191 -3.605 1.00 0.10 H new ATOM 0 HB2 GLU A 157 1.155 -8.899 -2.504 1.00 0.13 H new ATOM 0 HB3 GLU A 157 1.375 -10.587 -2.087 1.00 0.13 H new ATOM 0 HG2 GLU A 157 3.450 -8.414 -1.636 1.00 0.44 H new ATOM 0 HG3 GLU A 157 2.334 -8.996 -0.416 1.00 0.44 H new ATOM 1855 N SER A 158 0.774 -10.808 -5.153 1.00 0.05 N ATOM 1856 CA SER A 158 0.026 -11.832 -5.872 1.00 0.05 C ATOM 1857 C SER A 158 0.761 -12.244 -7.144 1.00 0.06 C ATOM 1858 O SER A 158 0.835 -13.427 -7.475 1.00 0.12 O ATOM 1859 CB SER A 158 -1.374 -11.323 -6.220 1.00 0.06 C ATOM 1860 OG SER A 158 -1.633 -10.077 -5.598 1.00 1.28 O ATOM 0 H SER A 158 0.385 -9.868 -5.231 1.00 0.05 H new ATOM 0 HA SER A 158 -0.065 -12.704 -5.225 1.00 0.05 H new ATOM 0 HB2 SER A 158 -1.468 -11.220 -7.301 1.00 0.06 H new ATOM 0 HB3 SER A 158 -2.119 -12.053 -5.903 1.00 0.06 H new ATOM 0 HG SER A 158 -1.145 -9.369 -6.068 1.00 1.28 H new ATOM 1866 N VAL A 159 1.305 -11.259 -7.852 1.00 0.04 N ATOM 1867 CA VAL A 159 2.038 -11.518 -9.085 1.00 0.04 C ATOM 1868 C VAL A 159 3.267 -12.380 -8.820 1.00 0.03 C ATOM 1869 O VAL A 159 3.644 -13.213 -9.643 1.00 0.04 O ATOM 1870 CB VAL A 159 2.480 -10.207 -9.763 1.00 0.05 C ATOM 1871 CG1 VAL A 159 3.815 -10.390 -10.470 1.00 0.95 C ATOM 1872 CG2 VAL A 159 1.416 -9.725 -10.737 1.00 0.89 C ATOM 0 H VAL A 159 1.252 -10.274 -7.592 1.00 0.04 H new ATOM 0 HA VAL A 159 1.359 -12.050 -9.751 1.00 0.04 H new ATOM 0 HB VAL A 159 2.607 -9.448 -8.991 1.00 0.05 H new ATOM 0 HG11 VAL A 159 4.108 -9.452 -10.942 1.00 0.95 H new ATOM 0 HG12 VAL A 159 4.574 -10.684 -9.745 1.00 0.95 H new ATOM 0 HG13 VAL A 159 3.721 -11.165 -11.231 1.00 0.95 H new ATOM 0 HG21 VAL A 159 1.745 -8.798 -11.206 1.00 0.89 H new ATOM 0 HG22 VAL A 159 1.255 -10.483 -11.504 1.00 0.89 H new ATOM 0 HG23 VAL A 159 0.484 -9.548 -10.200 1.00 0.89 H new ATOM 1882 N ASN A 160 3.885 -12.175 -7.662 1.00 0.03 N ATOM 1883 CA ASN A 160 5.071 -12.934 -7.282 1.00 0.03 C ATOM 1884 C ASN A 160 4.806 -14.434 -7.365 1.00 0.03 C ATOM 1885 O ASN A 160 5.697 -15.213 -7.705 1.00 0.04 O ATOM 1886 CB ASN A 160 5.509 -12.559 -5.865 1.00 0.05 C ATOM 1887 CG ASN A 160 6.099 -13.736 -5.113 1.00 1.06 C ATOM 1888 OD1 ASN A 160 6.943 -14.462 -5.637 1.00 1.77 O ATOM 1889 ND2 ASN A 160 5.656 -13.930 -3.876 1.00 1.79 N ATOM 0 H ASN A 160 3.584 -11.489 -6.970 1.00 0.03 H new ATOM 0 HA ASN A 160 5.871 -12.685 -7.980 1.00 0.03 H new ATOM 0 HB2 ASN A 160 6.246 -11.757 -5.915 1.00 0.05 H new ATOM 0 HB3 ASN A 160 4.653 -12.171 -5.313 1.00 0.05 H new ATOM 0 HD21 ASN A 160 6.017 -14.706 -3.321 1.00 1.79 H new ATOM 0 HD22 ASN A 160 4.955 -13.303 -3.481 1.00 1.79 H new ATOM 1896 N ARG A 161 3.577 -14.832 -7.053 1.00 0.04 N ATOM 1897 CA ARG A 161 3.198 -16.238 -7.095 1.00 0.05 C ATOM 1898 C ARG A 161 2.637 -16.608 -8.465 1.00 0.05 C ATOM 1899 O ARG A 161 3.339 -17.186 -9.295 1.00 0.09 O ATOM 1900 CB ARG A 161 2.167 -16.546 -6.006 1.00 0.06 C ATOM 1901 CG ARG A 161 2.683 -17.482 -4.925 1.00 1.33 C ATOM 1902 CD ARG A 161 3.905 -16.906 -4.228 1.00 2.09 C ATOM 1903 NE ARG A 161 4.556 -17.890 -3.367 1.00 2.31 N ATOM 1904 CZ ARG A 161 5.222 -18.951 -3.820 1.00 3.08 C ATOM 1905 NH1 ARG A 161 5.332 -19.171 -5.125 1.00 3.57 N ATOM 1906 NH2 ARG A 161 5.781 -19.795 -2.964 1.00 3.73 N ATOM 0 H ARG A 161 2.828 -14.201 -6.769 1.00 0.04 H new ATOM 0 HA ARG A 161 4.092 -16.835 -6.915 1.00 0.05 H new ATOM 0 HB2 ARG A 161 1.849 -15.611 -5.544 1.00 0.06 H new ATOM 0 HB3 ARG A 161 1.285 -16.989 -6.468 1.00 0.06 H new ATOM 0 HG2 ARG A 161 1.896 -17.663 -4.193 1.00 1.33 H new ATOM 0 HG3 ARG A 161 2.935 -18.446 -5.367 1.00 1.33 H new ATOM 0 HD2 ARG A 161 4.615 -16.551 -4.975 1.00 2.09 H new ATOM 0 HD3 ARG A 161 3.610 -16.042 -3.633 1.00 2.09 H new ATOM 0 HE ARG A 161 4.497 -17.757 -2.357 1.00 2.31 H new ATOM 0 HH11 ARG A 161 4.905 -18.525 -5.789 1.00 3.57 H new ATOM 0 HH12 ARG A 161 5.844 -19.986 -5.463 1.00 3.57 H new ATOM 0 HH21 ARG A 161 5.701 -19.631 -1.960 1.00 3.73 H new ATOM 0 HH22 ARG A 161 6.291 -20.608 -3.309 1.00 3.73 H new ATOM 1920 N GLU A 162 1.372 -16.265 -8.696 1.00 0.07 N ATOM 1921 CA GLU A 162 0.715 -16.556 -9.966 1.00 0.08 C ATOM 1922 C GLU A 162 -0.729 -16.065 -9.952 1.00 0.08 C ATOM 1923 O GLU A 162 -1.626 -16.735 -10.465 1.00 0.10 O ATOM 1924 CB GLU A 162 0.741 -18.059 -10.254 1.00 0.09 C ATOM 1925 CG GLU A 162 -0.003 -18.888 -9.219 1.00 1.32 C ATOM 1926 CD GLU A 162 -0.927 -19.913 -9.847 1.00 2.20 C ATOM 1927 OE1 GLU A 162 -0.590 -20.428 -10.934 1.00 2.88 O ATOM 1928 OE2 GLU A 162 -1.987 -20.199 -9.253 1.00 2.86 O ATOM 0 H GLU A 162 0.781 -15.784 -8.018 1.00 0.07 H new ATOM 0 HA GLU A 162 1.260 -16.033 -10.752 1.00 0.08 H new ATOM 0 HB2 GLU A 162 0.304 -18.240 -11.236 1.00 0.09 H new ATOM 0 HB3 GLU A 162 1.777 -18.394 -10.300 1.00 0.09 H new ATOM 0 HG2 GLU A 162 0.718 -19.398 -8.580 1.00 1.32 H new ATOM 0 HG3 GLU A 162 -0.584 -18.225 -8.578 1.00 1.32 H new ATOM 1935 N MET A 163 -0.950 -14.896 -9.361 1.00 0.09 N ATOM 1936 CA MET A 163 -2.290 -14.326 -9.281 1.00 0.10 C ATOM 1937 C MET A 163 -2.323 -12.913 -9.857 1.00 0.10 C ATOM 1938 O MET A 163 -2.813 -11.983 -9.219 1.00 0.12 O ATOM 1939 CB MET A 163 -2.775 -14.316 -7.830 1.00 0.11 C ATOM 1940 CG MET A 163 -3.516 -15.580 -7.428 1.00 0.86 C ATOM 1941 SD MET A 163 -3.379 -15.937 -5.666 1.00 1.42 S ATOM 1942 CE MET A 163 -2.510 -17.503 -5.698 1.00 2.41 C ATOM 0 H MET A 163 -0.221 -14.326 -8.932 1.00 0.09 H new ATOM 0 HA MET A 163 -2.958 -14.949 -9.875 1.00 0.10 H new ATOM 0 HB2 MET A 163 -1.918 -14.182 -7.170 1.00 0.11 H new ATOM 0 HB3 MET A 163 -3.430 -13.458 -7.680 1.00 0.11 H new ATOM 0 HG2 MET A 163 -4.568 -15.479 -7.693 1.00 0.86 H new ATOM 0 HG3 MET A 163 -3.123 -16.423 -7.997 1.00 0.86 H new ATOM 0 HE1 MET A 163 -2.352 -17.852 -4.678 1.00 2.41 H new ATOM 0 HE2 MET A 163 -3.102 -18.237 -6.245 1.00 2.41 H new ATOM 0 HE3 MET A 163 -1.546 -17.374 -6.191 1.00 2.41 H new ATOM 1952 N SER A 164 -1.801 -12.760 -11.070 1.00 0.10 N ATOM 1953 CA SER A 164 -1.778 -11.460 -11.730 1.00 0.11 C ATOM 1954 C SER A 164 -3.181 -10.852 -11.810 1.00 0.11 C ATOM 1955 O SER A 164 -3.377 -9.687 -11.463 1.00 0.14 O ATOM 1956 CB SER A 164 -1.184 -11.587 -13.135 1.00 0.11 C ATOM 1957 OG SER A 164 -0.193 -10.599 -13.360 1.00 1.33 O ATOM 0 H SER A 164 -1.389 -13.518 -11.614 1.00 0.10 H new ATOM 0 HA SER A 164 -1.152 -10.796 -11.134 1.00 0.11 H new ATOM 0 HB2 SER A 164 -0.749 -12.578 -13.261 1.00 0.11 H new ATOM 0 HB3 SER A 164 -1.975 -11.489 -13.878 1.00 0.11 H new ATOM 0 HG SER A 164 0.533 -10.980 -13.897 1.00 1.33 H new ATOM 1963 N PRO A 165 -4.182 -11.630 -12.265 1.00 0.08 N ATOM 1964 CA PRO A 165 -5.562 -11.149 -12.378 1.00 0.09 C ATOM 1965 C PRO A 165 -6.054 -10.498 -11.089 1.00 0.09 C ATOM 1966 O PRO A 165 -6.839 -9.548 -11.121 1.00 0.11 O ATOM 1967 CB PRO A 165 -6.360 -12.420 -12.673 1.00 0.11 C ATOM 1968 CG PRO A 165 -5.385 -13.331 -13.333 1.00 0.09 C ATOM 1969 CD PRO A 165 -4.050 -13.032 -12.707 1.00 0.07 C ATOM 0 HA PRO A 165 -5.664 -10.380 -13.144 1.00 0.09 H new ATOM 0 HB2 PRO A 165 -6.757 -12.860 -11.758 1.00 0.11 H new ATOM 0 HB3 PRO A 165 -7.211 -12.212 -13.322 1.00 0.11 H new ATOM 0 HG2 PRO A 165 -5.662 -14.374 -13.182 1.00 0.09 H new ATOM 0 HG3 PRO A 165 -5.358 -13.161 -14.409 1.00 0.09 H new ATOM 0 HD2 PRO A 165 -3.841 -13.698 -11.870 1.00 0.07 H new ATOM 0 HD3 PRO A 165 -3.236 -13.152 -13.422 1.00 0.07 H new ATOM 1977 N LEU A 166 -5.590 -11.014 -9.955 1.00 0.09 N ATOM 1978 CA LEU A 166 -5.984 -10.484 -8.655 1.00 0.10 C ATOM 1979 C LEU A 166 -5.661 -8.997 -8.550 1.00 0.12 C ATOM 1980 O LEU A 166 -6.351 -8.251 -7.855 1.00 0.17 O ATOM 1981 CB LEU A 166 -5.280 -11.250 -7.532 1.00 0.10 C ATOM 1982 CG LEU A 166 -5.848 -11.017 -6.132 1.00 0.44 C ATOM 1983 CD1 LEU A 166 -7.008 -11.961 -5.862 1.00 1.59 C ATOM 1984 CD2 LEU A 166 -4.762 -11.190 -5.080 1.00 1.46 C ATOM 0 H LEU A 166 -4.940 -11.799 -9.911 1.00 0.09 H new ATOM 0 HA LEU A 166 -7.062 -10.611 -8.553 1.00 0.10 H new ATOM 0 HB2 LEU A 166 -5.329 -12.316 -7.754 1.00 0.10 H new ATOM 0 HB3 LEU A 166 -4.226 -10.973 -7.530 1.00 0.10 H new ATOM 0 HG LEU A 166 -6.219 -9.994 -6.078 1.00 0.44 H new ATOM 0 HD11 LEU A 166 -7.399 -11.780 -4.861 1.00 1.59 H new ATOM 0 HD12 LEU A 166 -7.796 -11.789 -6.596 1.00 1.59 H new ATOM 0 HD13 LEU A 166 -6.663 -12.992 -5.936 1.00 1.59 H new ATOM 0 HD21 LEU A 166 -5.184 -11.020 -4.090 1.00 1.46 H new ATOM 0 HD22 LEU A 166 -4.360 -12.202 -5.135 1.00 1.46 H new ATOM 0 HD23 LEU A 166 -3.962 -10.472 -5.261 1.00 1.46 H new ATOM 1996 N VAL A 167 -4.613 -8.572 -9.247 1.00 0.10 N ATOM 1997 CA VAL A 167 -4.204 -7.173 -9.231 1.00 0.12 C ATOM 1998 C VAL A 167 -5.397 -6.254 -9.470 1.00 0.13 C ATOM 1999 O VAL A 167 -5.478 -5.164 -8.904 1.00 0.14 O ATOM 2000 CB VAL A 167 -3.130 -6.892 -10.298 1.00 0.13 C ATOM 2001 CG1 VAL A 167 -2.877 -5.398 -10.417 1.00 1.38 C ATOM 2002 CG2 VAL A 167 -1.844 -7.635 -9.967 1.00 1.33 C ATOM 0 H VAL A 167 -4.032 -9.175 -9.829 1.00 0.10 H new ATOM 0 HA VAL A 167 -3.785 -6.973 -8.245 1.00 0.12 H new ATOM 0 HB VAL A 167 -3.493 -7.253 -11.260 1.00 0.13 H new ATOM 0 HG11 VAL A 167 -2.115 -5.217 -11.175 1.00 1.38 H new ATOM 0 HG12 VAL A 167 -3.800 -4.894 -10.703 1.00 1.38 H new ATOM 0 HG13 VAL A 167 -2.534 -5.010 -9.458 1.00 1.38 H new ATOM 0 HG21 VAL A 167 -1.096 -7.425 -10.731 1.00 1.33 H new ATOM 0 HG22 VAL A 167 -1.473 -7.306 -8.996 1.00 1.33 H new ATOM 0 HG23 VAL A 167 -2.041 -8.707 -9.936 1.00 1.33 H new ATOM 2012 N ASP A 168 -6.322 -6.706 -10.310 1.00 0.12 N ATOM 2013 CA ASP A 168 -7.516 -5.930 -10.625 1.00 0.12 C ATOM 2014 C ASP A 168 -8.442 -5.845 -9.415 1.00 0.14 C ATOM 2015 O ASP A 168 -9.048 -4.805 -9.158 1.00 0.16 O ATOM 2016 CB ASP A 168 -8.258 -6.556 -11.806 1.00 0.12 C ATOM 2017 CG ASP A 168 -8.795 -5.518 -12.772 1.00 1.35 C ATOM 2018 OD1 ASP A 168 -9.620 -4.682 -12.345 1.00 2.11 O ATOM 2019 OD2 ASP A 168 -8.391 -5.541 -13.954 1.00 2.06 O ATOM 0 H ASP A 168 -6.268 -7.607 -10.785 1.00 0.12 H new ATOM 0 HA ASP A 168 -7.204 -4.921 -10.894 1.00 0.12 H new ATOM 0 HB2 ASP A 168 -7.585 -7.229 -12.338 1.00 0.12 H new ATOM 0 HB3 ASP A 168 -9.084 -7.161 -11.432 1.00 0.12 H new ATOM 2024 N ASN A 169 -8.544 -6.946 -8.677 1.00 0.13 N ATOM 2025 CA ASN A 169 -9.395 -6.996 -7.494 1.00 0.15 C ATOM 2026 C ASN A 169 -8.938 -5.982 -6.451 1.00 0.17 C ATOM 2027 O ASN A 169 -9.748 -5.241 -5.895 1.00 0.25 O ATOM 2028 CB ASN A 169 -9.386 -8.402 -6.893 1.00 0.14 C ATOM 2029 CG ASN A 169 -10.730 -9.093 -7.016 1.00 0.82 C ATOM 2030 OD1 ASN A 169 -11.723 -8.651 -6.436 1.00 1.64 O ATOM 2031 ND2 ASN A 169 -10.769 -10.182 -7.774 1.00 1.34 N ATOM 0 H ASN A 169 -8.048 -7.815 -8.877 1.00 0.13 H new ATOM 0 HA ASN A 169 -10.411 -6.744 -7.798 1.00 0.15 H new ATOM 0 HB2 ASN A 169 -8.625 -9.002 -7.392 1.00 0.14 H new ATOM 0 HB3 ASN A 169 -9.106 -8.343 -5.841 1.00 0.14 H new ATOM 0 HD21 ASN A 169 -11.646 -10.688 -7.895 1.00 1.34 H new ATOM 0 HD22 ASN A 169 -9.922 -10.512 -8.236 1.00 1.34 H new ATOM 2038 N ILE A 170 -7.635 -5.955 -6.191 1.00 0.15 N ATOM 2039 CA ILE A 170 -7.071 -5.032 -5.215 1.00 0.19 C ATOM 2040 C ILE A 170 -7.485 -3.597 -5.515 1.00 0.19 C ATOM 2041 O ILE A 170 -7.943 -2.874 -4.629 1.00 0.28 O ATOM 2042 CB ILE A 170 -5.532 -5.116 -5.185 1.00 0.21 C ATOM 2043 CG1 ILE A 170 -5.083 -6.569 -5.015 1.00 0.77 C ATOM 2044 CG2 ILE A 170 -4.972 -4.250 -4.066 1.00 0.87 C ATOM 2045 CD1 ILE A 170 -3.819 -6.718 -4.195 1.00 1.45 C ATOM 0 H ILE A 170 -6.951 -6.562 -6.643 1.00 0.15 H new ATOM 0 HA ILE A 170 -7.461 -5.324 -4.240 1.00 0.19 H new ATOM 0 HB ILE A 170 -5.146 -4.742 -6.133 1.00 0.21 H new ATOM 0 HG12 ILE A 170 -5.884 -7.135 -4.540 1.00 0.77 H new ATOM 0 HG13 ILE A 170 -4.922 -7.009 -5.999 1.00 0.77 H new ATOM 0 HG21 ILE A 170 -3.884 -4.322 -4.060 1.00 0.87 H new ATOM 0 HG22 ILE A 170 -5.266 -3.213 -4.227 1.00 0.87 H new ATOM 0 HG23 ILE A 170 -5.364 -4.594 -3.109 1.00 0.87 H new ATOM 0 HD11 ILE A 170 -3.559 -7.774 -4.115 1.00 1.45 H new ATOM 0 HD12 ILE A 170 -3.005 -6.180 -4.680 1.00 1.45 H new ATOM 0 HD13 ILE A 170 -3.982 -6.308 -3.198 1.00 1.45 H new ATOM 2057 N ALA A 171 -7.322 -3.189 -6.769 1.00 0.19 N ATOM 2058 CA ALA A 171 -7.680 -1.838 -7.183 1.00 0.23 C ATOM 2059 C ALA A 171 -9.146 -1.546 -6.887 1.00 0.18 C ATOM 2060 O ALA A 171 -9.511 -0.420 -6.551 1.00 0.21 O ATOM 2061 CB ALA A 171 -7.390 -1.645 -8.663 1.00 0.31 C ATOM 0 H ALA A 171 -6.945 -3.774 -7.515 1.00 0.19 H new ATOM 0 HA ALA A 171 -7.073 -1.136 -6.611 1.00 0.23 H new ATOM 0 HB1 ALA A 171 -7.662 -0.632 -8.958 1.00 0.31 H new ATOM 0 HB2 ALA A 171 -6.328 -1.804 -8.849 1.00 0.31 H new ATOM 0 HB3 ALA A 171 -7.972 -2.361 -9.244 1.00 0.31 H new ATOM 2067 N LEU A 172 -9.984 -2.570 -7.014 1.00 0.15 N ATOM 2068 CA LEU A 172 -11.413 -2.427 -6.760 1.00 0.15 C ATOM 2069 C LEU A 172 -11.672 -2.039 -5.308 1.00 0.14 C ATOM 2070 O LEU A 172 -12.486 -1.159 -5.025 1.00 0.27 O ATOM 2071 CB LEU A 172 -12.142 -3.731 -7.087 1.00 0.23 C ATOM 2072 CG LEU A 172 -13.162 -3.638 -8.223 1.00 0.90 C ATOM 2073 CD1 LEU A 172 -14.231 -2.607 -7.896 1.00 1.94 C ATOM 2074 CD2 LEU A 172 -12.470 -3.296 -9.533 1.00 1.80 C ATOM 0 H LEU A 172 -9.698 -3.509 -7.292 1.00 0.15 H new ATOM 0 HA LEU A 172 -11.793 -1.633 -7.403 1.00 0.15 H new ATOM 0 HB2 LEU A 172 -11.401 -4.488 -7.346 1.00 0.23 H new ATOM 0 HB3 LEU A 172 -12.653 -4.079 -6.189 1.00 0.23 H new ATOM 0 HG LEU A 172 -13.645 -4.609 -8.334 1.00 0.90 H new ATOM 0 HD11 LEU A 172 -14.948 -2.554 -8.715 1.00 1.94 H new ATOM 0 HD12 LEU A 172 -14.747 -2.896 -6.980 1.00 1.94 H new ATOM 0 HD13 LEU A 172 -13.765 -1.631 -7.758 1.00 1.94 H new ATOM 0 HD21 LEU A 172 -13.211 -3.234 -10.330 1.00 1.80 H new ATOM 0 HD22 LEU A 172 -11.960 -2.337 -9.436 1.00 1.80 H new ATOM 0 HD23 LEU A 172 -11.742 -4.071 -9.773 1.00 1.80 H new ATOM 2086 N TRP A 173 -10.976 -2.703 -4.391 1.00 0.19 N ATOM 2087 CA TRP A 173 -11.128 -2.430 -2.966 1.00 0.20 C ATOM 2088 C TRP A 173 -10.446 -1.121 -2.582 1.00 0.19 C ATOM 2089 O TRP A 173 -10.890 -0.423 -1.671 1.00 0.19 O ATOM 2090 CB TRP A 173 -10.549 -3.582 -2.141 1.00 0.23 C ATOM 2091 CG TRP A 173 -11.512 -4.711 -1.938 1.00 0.49 C ATOM 2092 CD1 TRP A 173 -12.702 -4.662 -1.271 1.00 1.04 C ATOM 2093 CD2 TRP A 173 -11.367 -6.058 -2.403 1.00 0.77 C ATOM 2094 NE1 TRP A 173 -13.307 -5.896 -1.294 1.00 1.31 N ATOM 2095 CE2 TRP A 173 -12.507 -6.769 -1.984 1.00 1.12 C ATOM 2096 CE3 TRP A 173 -10.385 -6.731 -3.137 1.00 1.16 C ATOM 2097 CZ2 TRP A 173 -12.691 -8.119 -2.272 1.00 1.47 C ATOM 2098 CZ3 TRP A 173 -10.569 -8.072 -3.421 1.00 1.59 C ATOM 2099 CH2 TRP A 173 -11.715 -8.753 -2.991 1.00 1.64 C ATOM 0 H TRP A 173 -10.300 -3.435 -4.610 1.00 0.19 H new ATOM 0 HA TRP A 173 -12.193 -2.337 -2.753 1.00 0.20 H new ATOM 0 HB2 TRP A 173 -9.656 -3.961 -2.637 1.00 0.23 H new ATOM 0 HB3 TRP A 173 -10.237 -3.201 -1.169 1.00 0.23 H new ATOM 0 HD1 TRP A 173 -13.109 -3.782 -0.795 1.00 1.04 H new ATOM 0 HE1 TRP A 173 -14.205 -6.125 -0.867 1.00 1.31 H new ATOM 0 HE3 TRP A 173 -9.500 -6.213 -3.476 1.00 1.16 H new ATOM 0 HZ2 TRP A 173 -13.573 -8.647 -1.940 1.00 1.47 H new ATOM 0 HZ3 TRP A 173 -9.816 -8.603 -3.984 1.00 1.59 H new ATOM 0 HH2 TRP A 173 -11.830 -9.799 -3.232 1.00 1.64 H new ATOM 2110 N MET A 174 -9.362 -0.796 -3.280 1.00 0.21 N ATOM 2111 CA MET A 174 -8.616 0.427 -3.006 1.00 0.21 C ATOM 2112 C MET A 174 -9.484 1.661 -3.234 1.00 0.20 C ATOM 2113 O MET A 174 -9.514 2.571 -2.406 1.00 0.27 O ATOM 2114 CB MET A 174 -7.368 0.499 -3.889 1.00 0.24 C ATOM 2115 CG MET A 174 -6.080 0.166 -3.155 1.00 1.05 C ATOM 2116 SD MET A 174 -4.636 0.931 -3.915 1.00 2.00 S ATOM 2117 CE MET A 174 -4.333 -0.195 -5.276 1.00 2.17 C ATOM 0 H MET A 174 -8.981 -1.362 -4.038 1.00 0.21 H new ATOM 0 HA MET A 174 -8.313 0.407 -1.959 1.00 0.21 H new ATOM 0 HB2 MET A 174 -7.486 -0.188 -4.727 1.00 0.24 H new ATOM 0 HB3 MET A 174 -7.288 1.502 -4.308 1.00 0.24 H new ATOM 0 HG2 MET A 174 -6.160 0.497 -2.119 1.00 1.05 H new ATOM 0 HG3 MET A 174 -5.946 -0.916 -3.135 1.00 1.05 H new ATOM 0 HE1 MET A 174 -3.625 0.257 -5.971 1.00 2.17 H new ATOM 0 HE2 MET A 174 -3.919 -1.127 -4.892 1.00 2.17 H new ATOM 0 HE3 MET A 174 -5.270 -0.400 -5.794 1.00 2.17 H new ATOM 2127 N THR A 175 -10.190 1.687 -4.360 1.00 0.15 N ATOM 2128 CA THR A 175 -11.058 2.813 -4.689 1.00 0.15 C ATOM 2129 C THR A 175 -12.197 2.933 -3.683 1.00 0.13 C ATOM 2130 O THR A 175 -12.634 4.036 -3.351 1.00 0.19 O ATOM 2131 CB THR A 175 -11.627 2.655 -6.099 1.00 0.19 C ATOM 2132 OG1 THR A 175 -12.545 3.696 -6.387 1.00 1.21 O ATOM 2133 CG2 THR A 175 -12.341 1.338 -6.310 1.00 1.25 C ATOM 0 H THR A 175 -10.179 0.944 -5.058 1.00 0.15 H new ATOM 0 HA THR A 175 -10.459 3.723 -4.647 1.00 0.15 H new ATOM 0 HB THR A 175 -10.766 2.693 -6.767 1.00 0.19 H new ATOM 0 HG1 THR A 175 -13.425 3.311 -6.584 1.00 1.21 H new ATOM 0 HG21 THR A 175 -12.721 1.289 -7.331 1.00 1.25 H new ATOM 0 HG22 THR A 175 -11.645 0.516 -6.142 1.00 1.25 H new ATOM 0 HG23 THR A 175 -13.172 1.258 -5.609 1.00 1.25 H new ATOM 2141 N GLU A 176 -12.676 1.791 -3.200 1.00 0.16 N ATOM 2142 CA GLU A 176 -13.765 1.768 -2.232 1.00 0.18 C ATOM 2143 C GLU A 176 -13.359 2.473 -0.943 1.00 0.16 C ATOM 2144 O GLU A 176 -14.074 3.346 -0.449 1.00 0.17 O ATOM 2145 CB GLU A 176 -14.180 0.326 -1.929 1.00 0.24 C ATOM 2146 CG GLU A 176 -14.910 -0.353 -3.077 1.00 1.34 C ATOM 2147 CD GLU A 176 -16.129 -1.128 -2.617 1.00 2.10 C ATOM 2148 OE1 GLU A 176 -16.758 -0.711 -1.622 1.00 2.64 O ATOM 2149 OE2 GLU A 176 -16.456 -2.152 -3.252 1.00 2.75 O ATOM 0 H GLU A 176 -12.327 0.870 -3.464 1.00 0.16 H new ATOM 0 HA GLU A 176 -14.613 2.298 -2.665 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -13.291 -0.254 -1.681 1.00 0.24 H new ATOM 0 HB3 GLU A 176 -14.821 0.319 -1.047 1.00 0.24 H new ATOM 0 HG2 GLU A 176 -15.216 0.400 -3.804 1.00 1.34 H new ATOM 0 HG3 GLU A 176 -14.225 -1.030 -3.588 1.00 1.34 H new ATOM 2156 N TYR A 177 -12.209 2.088 -0.402 1.00 0.16 N ATOM 2157 CA TYR A 177 -11.707 2.682 0.832 1.00 0.17 C ATOM 2158 C TYR A 177 -11.286 4.132 0.612 1.00 0.17 C ATOM 2159 O TYR A 177 -11.456 4.977 1.491 1.00 0.21 O ATOM 2160 CB TYR A 177 -10.523 1.874 1.365 1.00 0.21 C ATOM 2161 CG TYR A 177 -10.831 1.107 2.630 1.00 1.11 C ATOM 2162 CD1 TYR A 177 -10.774 1.726 3.873 1.00 1.71 C ATOM 2163 CD2 TYR A 177 -11.179 -0.237 2.581 1.00 2.21 C ATOM 2164 CE1 TYR A 177 -11.055 1.027 5.031 1.00 2.68 C ATOM 2165 CE2 TYR A 177 -11.460 -0.943 3.735 1.00 3.21 C ATOM 2166 CZ TYR A 177 -11.396 -0.306 4.957 1.00 3.30 C ATOM 2167 OH TYR A 177 -11.677 -1.006 6.108 1.00 4.40 O ATOM 0 H TYR A 177 -11.606 1.367 -0.798 1.00 0.16 H new ATOM 0 HA TYR A 177 -12.514 2.665 1.565 1.00 0.17 H new ATOM 0 HB2 TYR A 177 -10.197 1.173 0.596 1.00 0.21 H new ATOM 0 HB3 TYR A 177 -9.689 2.550 1.554 1.00 0.21 H new ATOM 0 HD1 TYR A 177 -10.506 2.770 3.935 1.00 1.71 H new ATOM 0 HD2 TYR A 177 -11.231 -0.738 1.626 1.00 2.21 H new ATOM 0 HE1 TYR A 177 -11.008 1.523 5.989 1.00 2.68 H new ATOM 0 HE2 TYR A 177 -11.728 -1.988 3.681 1.00 3.21 H new ATOM 0 HH TYR A 177 -12.325 -1.714 5.910 1.00 4.40 H new ATOM 2177 N LEU A 178 -10.733 4.413 -0.563 1.00 0.16 N ATOM 2178 CA LEU A 178 -10.285 5.762 -0.892 1.00 0.18 C ATOM 2179 C LEU A 178 -11.473 6.698 -1.091 1.00 0.15 C ATOM 2180 O LEU A 178 -11.435 7.858 -0.685 1.00 0.17 O ATOM 2181 CB LEU A 178 -9.418 5.741 -2.154 1.00 0.23 C ATOM 2182 CG LEU A 178 -8.950 7.115 -2.646 1.00 0.33 C ATOM 2183 CD1 LEU A 178 -7.677 7.535 -1.928 1.00 1.20 C ATOM 2184 CD2 LEU A 178 -8.731 7.095 -4.150 1.00 1.34 C ATOM 0 H LEU A 178 -10.584 3.726 -1.302 1.00 0.16 H new ATOM 0 HA LEU A 178 -9.690 6.134 -0.058 1.00 0.18 H new ATOM 0 HB2 LEU A 178 -8.541 5.123 -1.963 1.00 0.23 H new ATOM 0 HB3 LEU A 178 -9.980 5.258 -2.954 1.00 0.23 H new ATOM 0 HG LEU A 178 -9.728 7.844 -2.420 1.00 0.33 H new ATOM 0 HD11 LEU A 178 -7.360 8.513 -2.291 1.00 1.20 H new ATOM 0 HD12 LEU A 178 -7.865 7.589 -0.856 1.00 1.20 H new ATOM 0 HD13 LEU A 178 -6.892 6.804 -2.122 1.00 1.20 H new ATOM 0 HD21 LEU A 178 -8.399 8.079 -4.482 1.00 1.34 H new ATOM 0 HD22 LEU A 178 -7.972 6.353 -4.397 1.00 1.34 H new ATOM 0 HD23 LEU A 178 -9.665 6.839 -4.650 1.00 1.34 H new ATOM 2196 N ASN A 179 -12.525 6.188 -1.722 1.00 0.14 N ATOM 2197 CA ASN A 179 -13.722 6.980 -1.978 1.00 0.14 C ATOM 2198 C ASN A 179 -14.632 7.024 -0.752 1.00 0.13 C ATOM 2199 O ASN A 179 -15.396 7.972 -0.570 1.00 0.16 O ATOM 2200 CB ASN A 179 -14.486 6.409 -3.173 1.00 0.18 C ATOM 2201 CG ASN A 179 -15.935 6.856 -3.199 1.00 1.07 C ATOM 2202 OD1 ASN A 179 -16.815 6.182 -2.664 1.00 1.95 O ATOM 2203 ND2 ASN A 179 -16.189 7.999 -3.826 1.00 1.73 N ATOM 0 H ASN A 179 -12.573 5.229 -2.066 1.00 0.14 H new ATOM 0 HA ASN A 179 -13.407 7.999 -2.204 1.00 0.14 H new ATOM 0 HB2 ASN A 179 -13.996 6.719 -4.096 1.00 0.18 H new ATOM 0 HB3 ASN A 179 -14.445 5.320 -3.141 1.00 0.18 H new ATOM 0 HD21 ASN A 179 -17.145 8.351 -3.878 1.00 1.73 H new ATOM 0 HD22 ASN A 179 -15.428 8.525 -4.255 1.00 1.73 H new ATOM 2210 N ARG A 180 -14.554 5.994 0.083 1.00 0.10 N ATOM 2211 CA ARG A 180 -15.377 5.921 1.285 1.00 0.11 C ATOM 2212 C ARG A 180 -14.737 6.656 2.467 1.00 0.12 C ATOM 2213 O ARG A 180 -15.376 6.839 3.503 1.00 0.14 O ATOM 2214 CB ARG A 180 -15.632 4.461 1.661 1.00 0.12 C ATOM 2215 CG ARG A 180 -16.767 4.275 2.655 1.00 1.03 C ATOM 2216 CD ARG A 180 -17.419 2.911 2.507 1.00 0.88 C ATOM 2217 NE ARG A 180 -18.864 2.971 2.710 1.00 1.42 N ATOM 2218 CZ ARG A 180 -19.631 1.902 2.912 1.00 2.25 C ATOM 2219 NH1 ARG A 180 -19.099 0.685 2.944 1.00 2.81 N ATOM 2220 NH2 ARG A 180 -20.938 2.048 3.082 1.00 2.97 N ATOM 0 H ARG A 180 -13.930 5.198 -0.050 1.00 0.10 H new ATOM 0 HA ARG A 180 -16.323 6.414 1.061 1.00 0.11 H new ATOM 0 HB2 ARG A 180 -15.857 3.896 0.756 1.00 0.12 H new ATOM 0 HB3 ARG A 180 -14.719 4.039 2.082 1.00 0.12 H new ATOM 0 HG2 ARG A 180 -16.386 4.389 3.670 1.00 1.03 H new ATOM 0 HG3 ARG A 180 -17.514 5.055 2.506 1.00 1.03 H new ATOM 0 HD2 ARG A 180 -17.209 2.514 1.514 1.00 0.88 H new ATOM 0 HD3 ARG A 180 -16.980 2.219 3.226 1.00 0.88 H new ATOM 0 HE ARG A 180 -19.312 3.887 2.696 1.00 1.42 H new ATOM 0 HH11 ARG A 180 -18.095 0.564 2.813 1.00 2.81 H new ATOM 0 HH12 ARG A 180 -19.695 -0.128 3.099 1.00 2.81 H new ATOM 0 HH21 ARG A 180 -21.355 2.979 3.058 1.00 2.97 H new ATOM 0 HH22 ARG A 180 -21.527 1.230 3.237 1.00 2.97 H new ATOM 2234 N HIS A 181 -13.478 7.071 2.323 1.00 0.12 N ATOM 2235 CA HIS A 181 -12.788 7.771 3.402 1.00 0.15 C ATOM 2236 C HIS A 181 -12.047 9.002 2.887 1.00 0.17 C ATOM 2237 O HIS A 181 -12.399 10.134 3.218 1.00 0.32 O ATOM 2238 CB HIS A 181 -11.805 6.830 4.100 1.00 0.17 C ATOM 2239 CG HIS A 181 -11.822 6.946 5.592 1.00 1.31 C ATOM 2240 ND1 HIS A 181 -11.977 5.862 6.430 1.00 2.24 N ATOM 2241 CD2 HIS A 181 -11.698 8.027 6.399 1.00 2.14 C ATOM 2242 CE1 HIS A 181 -11.951 6.271 7.687 1.00 3.20 C ATOM 2243 NE2 HIS A 181 -11.782 7.580 7.694 1.00 3.13 N ATOM 0 H HIS A 181 -12.922 6.936 1.479 1.00 0.12 H new ATOM 0 HA HIS A 181 -13.542 8.103 4.116 1.00 0.15 H new ATOM 0 HB2 HIS A 181 -12.038 5.802 3.821 1.00 0.17 H new ATOM 0 HB3 HIS A 181 -10.798 7.038 3.739 1.00 0.17 H new ATOM 0 HD2 HIS A 181 -11.559 9.050 6.082 1.00 2.14 H new ATOM 0 HE1 HIS A 181 -12.051 5.642 8.559 1.00 3.20 H new ATOM 0 HE2 HIS A 181 -11.723 8.165 8.527 1.00 3.13 H new ATOM 2251 N LEU A 182 -11.013 8.771 2.086 1.00 0.16 N ATOM 2252 CA LEU A 182 -10.210 9.859 1.537 1.00 0.18 C ATOM 2253 C LEU A 182 -11.079 10.886 0.814 1.00 0.16 C ATOM 2254 O LEU A 182 -11.078 12.063 1.171 1.00 0.19 O ATOM 2255 CB LEU A 182 -9.155 9.307 0.577 1.00 0.24 C ATOM 2256 CG LEU A 182 -7.707 9.589 0.981 1.00 1.14 C ATOM 2257 CD1 LEU A 182 -7.038 8.321 1.491 1.00 1.86 C ATOM 2258 CD2 LEU A 182 -6.931 10.171 -0.192 1.00 2.15 C ATOM 0 H LEU A 182 -10.710 7.839 1.802 1.00 0.16 H new ATOM 0 HA LEU A 182 -9.716 10.358 2.371 1.00 0.18 H new ATOM 0 HB2 LEU A 182 -9.290 8.229 0.493 1.00 0.24 H new ATOM 0 HB3 LEU A 182 -9.329 9.728 -0.413 1.00 0.24 H new ATOM 0 HG LEU A 182 -7.710 10.322 1.788 1.00 1.14 H new ATOM 0 HD11 LEU A 182 -6.009 8.541 1.774 1.00 1.86 H new ATOM 0 HD12 LEU A 182 -7.581 7.947 2.359 1.00 1.86 H new ATOM 0 HD13 LEU A 182 -7.045 7.565 0.706 1.00 1.86 H new ATOM 0 HD21 LEU A 182 -5.903 10.366 0.113 1.00 2.15 H new ATOM 0 HD22 LEU A 182 -6.936 9.462 -1.019 1.00 2.15 H new ATOM 0 HD23 LEU A 182 -7.398 11.103 -0.510 1.00 2.15 H new ATOM 2270 N HIS A 183 -11.800 10.428 -0.209 1.00 0.16 N ATOM 2271 CA HIS A 183 -12.670 11.292 -1.011 1.00 0.16 C ATOM 2272 C HIS A 183 -13.418 12.304 -0.148 1.00 0.18 C ATOM 2273 O HIS A 183 -13.405 13.502 -0.434 1.00 0.40 O ATOM 2274 CB HIS A 183 -13.669 10.445 -1.799 1.00 0.17 C ATOM 2275 CG HIS A 183 -14.794 11.238 -2.391 1.00 0.31 C ATOM 2276 ND1 HIS A 183 -14.868 11.549 -3.732 1.00 1.08 N ATOM 2277 CD2 HIS A 183 -15.897 11.778 -1.819 1.00 1.03 C ATOM 2278 CE1 HIS A 183 -15.967 12.247 -3.960 1.00 0.90 C ATOM 2279 NE2 HIS A 183 -16.608 12.399 -2.816 1.00 0.72 N ATOM 0 H HIS A 183 -11.799 9.452 -0.505 1.00 0.16 H new ATOM 0 HA HIS A 183 -12.035 11.847 -1.701 1.00 0.16 H new ATOM 0 HB2 HIS A 183 -13.141 9.926 -2.599 1.00 0.17 H new ATOM 0 HB3 HIS A 183 -14.082 9.680 -1.141 1.00 0.17 H new ATOM 0 HD2 HIS A 183 -16.167 11.729 -0.774 1.00 1.03 H new ATOM 0 HE1 HIS A 183 -16.286 12.628 -4.919 1.00 0.90 H new ATOM 0 HE2 HIS A 183 -17.489 12.897 -2.693 1.00 0.72 H new ATOM 2287 N THR A 184 -14.066 11.823 0.906 1.00 0.00 N ATOM 2288 CA THR A 184 -14.812 12.700 1.799 1.00 0.00 C ATOM 2289 C THR A 184 -13.881 13.700 2.478 1.00 0.00 C ATOM 2290 O THR A 184 -14.237 14.862 2.670 1.00 0.00 O ATOM 2291 CB THR A 184 -15.582 11.849 2.865 1.00 0.00 C ATOM 2292 OG1 THR A 184 -14.854 10.669 3.181 1.00 0.00 O ATOM 2293 CG2 THR A 184 -16.981 11.341 2.454 1.00 0.00 C ATOM 0 H THR A 184 -14.090 10.836 1.162 1.00 0.00 H new ATOM 0 HA THR A 184 -15.536 13.263 1.210 1.00 0.00 H new ATOM 0 HB THR A 184 -15.693 12.551 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 184 -13.893 10.849 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 184 -17.414 10.766 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 184 -17.625 12.191 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 184 -16.893 10.707 1.572 1.00 0.00 H new ATOM 2301 N TRP A 185 -12.687 13.239 2.840 1.00 0.09 N ATOM 2302 CA TRP A 185 -11.703 14.091 3.501 1.00 0.11 C ATOM 2303 C TRP A 185 -11.117 15.120 2.537 1.00 0.09 C ATOM 2304 O TRP A 185 -10.942 16.286 2.893 1.00 0.12 O ATOM 2305 CB TRP A 185 -10.578 13.243 4.097 1.00 0.16 C ATOM 2306 CG TRP A 185 -9.839 13.935 5.201 1.00 0.97 C ATOM 2307 CD1 TRP A 185 -10.149 13.917 6.530 1.00 1.76 C ATOM 2308 CD2 TRP A 185 -8.670 14.752 5.072 1.00 1.74 C ATOM 2309 NE1 TRP A 185 -9.243 14.671 7.236 1.00 2.42 N ATOM 2310 CE2 TRP A 185 -8.325 15.193 6.364 1.00 2.43 C ATOM 2311 CE3 TRP A 185 -7.879 15.151 3.990 1.00 2.39 C ATOM 2312 CZ2 TRP A 185 -7.225 16.014 6.601 1.00 3.31 C ATOM 2313 CZ3 TRP A 185 -6.789 15.967 4.228 1.00 3.37 C ATOM 2314 CH2 TRP A 185 -6.470 16.390 5.524 1.00 3.70 C ATOM 0 H TRP A 185 -12.377 12.279 2.687 1.00 0.09 H new ATOM 0 HA TRP A 185 -12.216 14.625 4.301 1.00 0.11 H new ATOM 0 HB2 TRP A 185 -10.997 12.311 4.477 1.00 0.16 H new ATOM 0 HB3 TRP A 185 -9.874 12.978 3.308 1.00 0.16 H new ATOM 0 HD1 TRP A 185 -10.984 13.387 6.963 1.00 1.76 H new ATOM 0 HE1 TRP A 185 -9.253 14.818 8.245 1.00 2.42 H new ATOM 0 HE3 TRP A 185 -8.115 14.828 2.987 1.00 2.39 H new ATOM 0 HZ2 TRP A 185 -6.977 16.342 7.600 1.00 3.31 H new ATOM 0 HZ3 TRP A 185 -6.173 16.284 3.400 1.00 3.37 H new ATOM 0 HH2 TRP A 185 -5.611 17.026 5.676 1.00 3.70 H new ATOM 2325 N ILE A 186 -10.813 14.685 1.318 1.00 0.10 N ATOM 2326 CA ILE A 186 -10.242 15.591 0.313 1.00 0.11 C ATOM 2327 C ILE A 186 -11.299 16.554 -0.212 1.00 0.10 C ATOM 2328 O ILE A 186 -11.050 17.751 -0.346 1.00 0.12 O ATOM 2329 CB ILE A 186 -9.586 14.872 -0.900 1.00 0.17 C ATOM 2330 CG1 ILE A 186 -9.729 13.349 -0.829 1.00 1.36 C ATOM 2331 CG2 ILE A 186 -8.117 15.254 -0.997 1.00 1.42 C ATOM 2332 CD1 ILE A 186 -9.112 12.625 -2.005 1.00 1.96 C ATOM 0 H ILE A 186 -10.948 13.725 1.000 1.00 0.10 H new ATOM 0 HA ILE A 186 -9.452 16.126 0.840 1.00 0.11 H new ATOM 0 HB ILE A 186 -10.115 15.202 -1.794 1.00 0.17 H new ATOM 0 HG12 ILE A 186 -9.265 12.992 0.090 1.00 1.36 H new ATOM 0 HG13 ILE A 186 -10.787 13.095 -0.772 1.00 1.36 H new ATOM 0 HG21 ILE A 186 -7.665 14.746 -1.849 1.00 1.42 H new ATOM 0 HG22 ILE A 186 -8.029 16.332 -1.129 1.00 1.42 H new ATOM 0 HG23 ILE A 186 -7.603 14.957 -0.083 1.00 1.42 H new ATOM 0 HD11 ILE A 186 -9.252 11.551 -1.885 1.00 1.96 H new ATOM 0 HD12 ILE A 186 -9.592 12.953 -2.927 1.00 1.96 H new ATOM 0 HD13 ILE A 186 -8.046 12.849 -2.052 1.00 1.96 H new ATOM 2344 N GLN A 187 -12.480 16.023 -0.510 1.00 0.11 N ATOM 2345 CA GLN A 187 -13.574 16.838 -1.022 1.00 0.12 C ATOM 2346 C GLN A 187 -13.870 18.002 -0.083 1.00 0.10 C ATOM 2347 O GLN A 187 -14.049 19.138 -0.524 1.00 0.16 O ATOM 2348 CB GLN A 187 -14.829 15.985 -1.206 1.00 0.15 C ATOM 2349 CG GLN A 187 -14.913 15.311 -2.565 1.00 1.38 C ATOM 2350 CD GLN A 187 -15.306 16.272 -3.669 1.00 2.22 C ATOM 2351 OE1 GLN A 187 -14.522 16.546 -4.577 1.00 2.53 O ATOM 2352 NE2 GLN A 187 -16.525 16.793 -3.594 1.00 3.26 N ATOM 0 H GLN A 187 -12.703 15.033 -0.406 1.00 0.11 H new ATOM 0 HA GLN A 187 -13.272 17.242 -1.988 1.00 0.12 H new ATOM 0 HB2 GLN A 187 -14.856 15.221 -0.429 1.00 0.15 H new ATOM 0 HB3 GLN A 187 -15.709 16.613 -1.066 1.00 0.15 H new ATOM 0 HG2 GLN A 187 -13.949 14.863 -2.805 1.00 1.38 H new ATOM 0 HG3 GLN A 187 -15.639 14.499 -2.520 1.00 1.38 H new ATOM 0 HE21 GLN A 187 -17.142 16.538 -2.823 1.00 3.26 H new ATOM 0 HE22 GLN A 187 -16.844 17.449 -4.307 1.00 3.26 H new ATOM 2361 N ASP A 188 -13.923 17.713 1.214 1.00 0.07 N ATOM 2362 CA ASP A 188 -14.199 18.737 2.214 1.00 0.11 C ATOM 2363 C ASP A 188 -12.992 19.651 2.407 1.00 0.13 C ATOM 2364 O ASP A 188 -13.140 20.829 2.729 1.00 0.23 O ATOM 2365 CB ASP A 188 -14.585 18.090 3.546 1.00 0.14 C ATOM 2366 CG ASP A 188 -13.523 18.282 4.611 1.00 1.14 C ATOM 2367 OD1 ASP A 188 -12.393 17.784 4.419 1.00 2.14 O ATOM 2368 OD2 ASP A 188 -13.821 18.929 5.636 1.00 1.62 O ATOM 0 H ASP A 188 -13.778 16.778 1.596 1.00 0.07 H new ATOM 0 HA ASP A 188 -15.034 19.341 1.858 1.00 0.11 H new ATOM 0 HB2 ASP A 188 -15.526 18.516 3.894 1.00 0.14 H new ATOM 0 HB3 ASP A 188 -14.754 17.024 3.394 1.00 0.14 H new ATOM 2373 N ASN A 189 -11.797 19.101 2.207 1.00 0.11 N ATOM 2374 CA ASN A 189 -10.567 19.869 2.360 1.00 0.14 C ATOM 2375 C ASN A 189 -10.063 20.362 1.007 1.00 0.13 C ATOM 2376 O ASN A 189 -8.973 19.994 0.568 1.00 0.28 O ATOM 2377 CB ASN A 189 -9.490 19.020 3.035 1.00 0.19 C ATOM 2378 CG ASN A 189 -8.184 19.771 3.196 1.00 1.18 C ATOM 2379 OD1 ASN A 189 -7.117 19.264 2.850 1.00 2.06 O ATOM 2380 ND2 ASN A 189 -8.262 20.988 3.722 1.00 1.91 N ATOM 0 H ASN A 189 -11.656 18.127 1.939 1.00 0.11 H new ATOM 0 HA ASN A 189 -10.785 20.734 2.987 1.00 0.14 H new ATOM 0 HB2 ASN A 189 -9.845 18.698 4.014 1.00 0.19 H new ATOM 0 HB3 ASN A 189 -9.318 18.119 2.446 1.00 0.19 H new ATOM 0 HD21 ASN A 189 -7.416 21.542 3.853 1.00 1.91 H new ATOM 0 HD22 ASN A 189 -9.168 21.369 3.995 1.00 1.91 H new ATOM 2387 N GLY A 190 -10.862 21.196 0.350 1.00 0.16 N ATOM 2388 CA GLY A 190 -10.478 21.722 -0.948 1.00 0.13 C ATOM 2389 C GLY A 190 -10.696 20.721 -2.064 1.00 0.12 C ATOM 2390 O GLY A 190 -11.629 20.856 -2.856 1.00 0.14 O ATOM 0 H GLY A 190 -11.768 21.517 0.692 1.00 0.16 H new ATOM 0 HA2 GLY A 190 -11.053 22.625 -1.156 1.00 0.13 H new ATOM 0 HA3 GLY A 190 -9.427 22.012 -0.923 1.00 0.13 H new ATOM 2394 N GLY A 191 -9.834 19.709 -2.126 1.00 0.14 N ATOM 2395 CA GLY A 191 -9.956 18.694 -3.155 1.00 0.13 C ATOM 2396 C GLY A 191 -8.610 18.178 -3.626 1.00 0.13 C ATOM 2397 O GLY A 191 -7.614 18.281 -2.911 1.00 0.18 O ATOM 0 H GLY A 191 -9.054 19.575 -1.482 1.00 0.14 H new ATOM 0 HA2 GLY A 191 -10.546 17.862 -2.771 1.00 0.13 H new ATOM 0 HA3 GLY A 191 -10.501 19.106 -4.004 1.00 0.13 H new ATOM 2401 N TRP A 192 -8.584 17.621 -4.831 1.00 0.10 N ATOM 2402 CA TRP A 192 -7.353 17.081 -5.401 1.00 0.09 C ATOM 2403 C TRP A 192 -6.350 18.191 -5.691 1.00 0.11 C ATOM 2404 O TRP A 192 -5.149 18.030 -5.473 1.00 0.18 O ATOM 2405 CB TRP A 192 -7.660 16.311 -6.685 1.00 0.11 C ATOM 2406 CG TRP A 192 -8.181 14.930 -6.437 1.00 0.87 C ATOM 2407 CD1 TRP A 192 -9.311 14.591 -5.752 1.00 1.95 C ATOM 2408 CD2 TRP A 192 -7.591 13.703 -6.874 1.00 1.25 C ATOM 2409 NE1 TRP A 192 -9.460 13.224 -5.736 1.00 2.49 N ATOM 2410 CE2 TRP A 192 -8.415 12.658 -6.419 1.00 2.01 C ATOM 2411 CE3 TRP A 192 -6.443 13.387 -7.607 1.00 1.79 C ATOM 2412 CZ2 TRP A 192 -8.127 11.319 -6.674 1.00 2.54 C ATOM 2413 CZ3 TRP A 192 -6.160 12.059 -7.859 1.00 2.46 C ATOM 2414 CH2 TRP A 192 -7.000 11.039 -7.394 1.00 2.61 C ATOM 0 H TRP A 192 -9.402 17.531 -5.434 1.00 0.10 H new ATOM 0 HA TRP A 192 -6.913 16.402 -4.670 1.00 0.09 H new ATOM 0 HB2 TRP A 192 -8.392 16.869 -7.269 1.00 0.11 H new ATOM 0 HB3 TRP A 192 -6.754 16.247 -7.288 1.00 0.11 H new ATOM 0 HD1 TRP A 192 -9.989 15.293 -5.290 1.00 1.95 H new ATOM 0 HE1 TRP A 192 -10.223 12.715 -5.289 1.00 2.49 H new ATOM 0 HE3 TRP A 192 -5.790 14.167 -7.969 1.00 1.79 H new ATOM 0 HZ2 TRP A 192 -8.772 10.530 -6.315 1.00 2.54 H new ATOM 0 HZ3 TRP A 192 -5.276 11.803 -8.424 1.00 2.46 H new ATOM 0 HH2 TRP A 192 -6.752 10.010 -7.609 1.00 2.61 H new ATOM 2425 N ASP A 193 -6.850 19.315 -6.189 1.00 0.12 N ATOM 2426 CA ASP A 193 -6.000 20.453 -6.516 1.00 0.14 C ATOM 2427 C ASP A 193 -5.159 20.884 -5.315 1.00 0.11 C ATOM 2428 O ASP A 193 -4.094 21.478 -5.477 1.00 0.12 O ATOM 2429 CB ASP A 193 -6.853 21.625 -7.002 1.00 0.19 C ATOM 2430 CG ASP A 193 -7.820 21.218 -8.097 1.00 1.29 C ATOM 2431 OD1 ASP A 193 -8.667 20.336 -7.843 1.00 2.13 O ATOM 2432 OD2 ASP A 193 -7.728 21.780 -9.208 1.00 2.07 O ATOM 0 H ASP A 193 -7.842 19.463 -6.376 1.00 0.12 H new ATOM 0 HA ASP A 193 -5.321 20.145 -7.311 1.00 0.14 H new ATOM 0 HB2 ASP A 193 -7.412 22.038 -6.162 1.00 0.19 H new ATOM 0 HB3 ASP A 193 -6.202 22.417 -7.372 1.00 0.19 H new ATOM 2437 N ALA A 194 -5.640 20.587 -4.112 1.00 0.09 N ATOM 2438 CA ALA A 194 -4.926 20.949 -2.894 1.00 0.10 C ATOM 2439 C ALA A 194 -3.582 20.230 -2.804 1.00 0.08 C ATOM 2440 O ALA A 194 -2.544 20.860 -2.613 1.00 0.17 O ATOM 2441 CB ALA A 194 -5.776 20.640 -1.670 1.00 0.13 C ATOM 0 H ALA A 194 -6.521 20.097 -3.955 1.00 0.09 H new ATOM 0 HA ALA A 194 -4.731 22.021 -2.926 1.00 0.10 H new ATOM 0 HB1 ALA A 194 -5.229 20.916 -0.768 1.00 0.13 H new ATOM 0 HB2 ALA A 194 -6.705 21.208 -1.719 1.00 0.13 H new ATOM 0 HB3 ALA A 194 -6.004 19.574 -1.645 1.00 0.13 H new ATOM 2447 N PHE A 195 -3.611 18.908 -2.940 1.00 0.11 N ATOM 2448 CA PHE A 195 -2.395 18.100 -2.871 1.00 0.13 C ATOM 2449 C PHE A 195 -1.345 18.596 -3.861 1.00 0.11 C ATOM 2450 O PHE A 195 -0.214 18.896 -3.480 1.00 0.19 O ATOM 2451 CB PHE A 195 -2.725 16.632 -3.148 1.00 0.21 C ATOM 2452 CG PHE A 195 -1.564 15.841 -3.683 1.00 0.47 C ATOM 2453 CD1 PHE A 195 -0.426 15.651 -2.916 1.00 1.03 C ATOM 2454 CD2 PHE A 195 -1.614 15.286 -4.951 1.00 1.08 C ATOM 2455 CE1 PHE A 195 0.641 14.920 -3.404 1.00 1.52 C ATOM 2456 CE2 PHE A 195 -0.549 14.555 -5.444 1.00 1.54 C ATOM 2457 CZ PHE A 195 0.580 14.373 -4.670 1.00 1.63 C ATOM 0 H PHE A 195 -4.464 18.371 -3.099 1.00 0.11 H new ATOM 0 HA PHE A 195 -1.983 18.194 -1.866 1.00 0.13 H new ATOM 0 HB2 PHE A 195 -3.075 16.168 -2.226 1.00 0.21 H new ATOM 0 HB3 PHE A 195 -3.547 16.582 -3.862 1.00 0.21 H new ATOM 0 HD1 PHE A 195 -0.372 16.079 -1.926 1.00 1.03 H new ATOM 0 HD2 PHE A 195 -2.494 15.426 -5.561 1.00 1.08 H new ATOM 0 HE1 PHE A 195 1.522 14.777 -2.795 1.00 1.52 H new ATOM 0 HE2 PHE A 195 -0.600 14.127 -6.434 1.00 1.54 H new ATOM 0 HZ PHE A 195 1.414 13.804 -5.054 1.00 1.63 H new ATOM 2467 N VAL A 196 -1.722 18.675 -5.133 1.00 0.11 N ATOM 2468 CA VAL A 196 -0.805 19.129 -6.174 1.00 0.11 C ATOM 2469 C VAL A 196 -0.327 20.555 -5.913 1.00 0.11 C ATOM 2470 O VAL A 196 0.844 20.870 -6.120 1.00 0.20 O ATOM 2471 CB VAL A 196 -1.446 19.062 -7.576 1.00 0.15 C ATOM 2472 CG1 VAL A 196 -2.843 19.667 -7.571 1.00 1.39 C ATOM 2473 CG2 VAL A 196 -0.560 19.764 -8.593 1.00 1.40 C ATOM 0 H VAL A 196 -2.654 18.431 -5.468 1.00 0.11 H new ATOM 0 HA VAL A 196 0.048 18.452 -6.145 1.00 0.11 H new ATOM 0 HB VAL A 196 -1.539 18.013 -7.858 1.00 0.15 H new ATOM 0 HG11 VAL A 196 -3.270 19.606 -8.572 1.00 1.39 H new ATOM 0 HG12 VAL A 196 -3.475 19.118 -6.873 1.00 1.39 H new ATOM 0 HG13 VAL A 196 -2.786 20.711 -7.264 1.00 1.39 H new ATOM 0 HG21 VAL A 196 -1.023 19.710 -9.578 1.00 1.40 H new ATOM 0 HG22 VAL A 196 -0.436 20.809 -8.308 1.00 1.40 H new ATOM 0 HG23 VAL A 196 0.415 19.278 -8.623 1.00 1.40 H new ATOM 2483 N GLU A 197 -1.235 21.413 -5.458 1.00 0.05 N ATOM 2484 CA GLU A 197 -0.895 22.802 -5.170 1.00 0.08 C ATOM 2485 C GLU A 197 0.039 22.891 -3.970 1.00 0.07 C ATOM 2486 O GLU A 197 1.009 23.647 -3.978 1.00 0.11 O ATOM 2487 CB GLU A 197 -2.159 23.619 -4.904 1.00 0.11 C ATOM 2488 CG GLU A 197 -2.825 24.146 -6.165 1.00 0.96 C ATOM 2489 CD GLU A 197 -2.173 25.414 -6.682 1.00 1.86 C ATOM 2490 OE1 GLU A 197 -1.937 26.334 -5.870 1.00 2.57 O ATOM 2491 OE2 GLU A 197 -1.900 25.488 -7.898 1.00 2.50 O ATOM 0 H GLU A 197 -2.210 21.171 -5.281 1.00 0.05 H new ATOM 0 HA GLU A 197 -0.385 23.212 -6.042 1.00 0.08 H new ATOM 0 HB2 GLU A 197 -2.872 23.001 -4.359 1.00 0.11 H new ATOM 0 HB3 GLU A 197 -1.908 24.460 -4.258 1.00 0.11 H new ATOM 0 HG2 GLU A 197 -2.786 23.380 -6.939 1.00 0.96 H new ATOM 0 HG3 GLU A 197 -3.878 24.340 -5.961 1.00 0.96 H new ATOM 2498 N LEU A 198 -0.263 22.110 -2.939 1.00 0.06 N ATOM 2499 CA LEU A 198 0.548 22.097 -1.730 1.00 0.10 C ATOM 2500 C LEU A 198 1.897 21.445 -1.997 1.00 0.14 C ATOM 2501 O LEU A 198 2.941 21.972 -1.613 1.00 0.28 O ATOM 2502 CB LEU A 198 -0.178 21.345 -0.610 1.00 0.12 C ATOM 2503 CG LEU A 198 -0.054 21.969 0.781 1.00 1.08 C ATOM 2504 CD1 LEU A 198 1.362 21.814 1.312 1.00 1.40 C ATOM 2505 CD2 LEU A 198 -0.456 23.435 0.746 1.00 2.02 C ATOM 0 H LEU A 198 -1.063 21.478 -2.917 1.00 0.06 H new ATOM 0 HA LEU A 198 0.712 23.129 -1.419 1.00 0.10 H new ATOM 0 HB2 LEU A 198 -1.235 21.276 -0.867 1.00 0.12 H new ATOM 0 HB3 LEU A 198 0.207 20.326 -0.569 1.00 0.12 H new ATOM 0 HG LEU A 198 -0.731 21.444 1.455 1.00 1.08 H new ATOM 0 HD11 LEU A 198 1.430 22.264 2.302 1.00 1.40 H new ATOM 0 HD12 LEU A 198 1.613 20.755 1.376 1.00 1.40 H new ATOM 0 HD13 LEU A 198 2.060 22.312 0.638 1.00 1.40 H new ATOM 0 HD21 LEU A 198 -0.361 23.862 1.744 1.00 2.02 H new ATOM 0 HD22 LEU A 198 0.195 23.974 0.057 1.00 2.02 H new ATOM 0 HD23 LEU A 198 -1.490 23.521 0.411 1.00 2.02 H new ATOM 2517 N TYR A 199 1.864 20.296 -2.656 1.00 0.15 N ATOM 2518 CA TYR A 199 3.081 19.566 -2.976 1.00 0.16 C ATOM 2519 C TYR A 199 3.347 19.583 -4.476 1.00 0.20 C ATOM 2520 O TYR A 199 3.405 18.535 -5.120 1.00 0.26 O ATOM 2521 CB TYR A 199 2.979 18.127 -2.473 1.00 0.20 C ATOM 2522 CG TYR A 199 2.802 18.015 -0.973 1.00 0.28 C ATOM 2523 CD1 TYR A 199 3.073 19.091 -0.132 1.00 1.28 C ATOM 2524 CD2 TYR A 199 2.366 16.829 -0.396 1.00 0.86 C ATOM 2525 CE1 TYR A 199 2.915 18.985 1.236 1.00 1.42 C ATOM 2526 CE2 TYR A 199 2.206 16.717 0.972 1.00 0.78 C ATOM 2527 CZ TYR A 199 2.481 17.797 1.782 1.00 0.57 C ATOM 2528 OH TYR A 199 2.323 17.689 3.145 1.00 0.72 O ATOM 0 H TYR A 199 1.006 19.849 -2.980 1.00 0.15 H new ATOM 0 HA TYR A 199 3.916 20.058 -2.477 1.00 0.16 H new ATOM 0 HB2 TYR A 199 2.139 17.638 -2.966 1.00 0.20 H new ATOM 0 HB3 TYR A 199 3.879 17.585 -2.765 1.00 0.20 H new ATOM 0 HD1 TYR A 199 3.412 20.024 -0.556 1.00 1.28 H new ATOM 0 HD2 TYR A 199 2.148 15.980 -1.027 1.00 0.86 H new ATOM 0 HE1 TYR A 199 3.131 19.829 1.874 1.00 1.42 H new ATOM 0 HE2 TYR A 199 1.867 15.787 1.404 1.00 0.78 H new ATOM 0 HH TYR A 199 1.412 17.387 3.346 1.00 0.72 H new ATOM 2538 N GLY A 200 3.513 20.782 -5.026 1.00 0.20 N ATOM 2539 CA GLY A 200 3.777 20.913 -6.445 1.00 0.26 C ATOM 2540 C GLY A 200 4.787 20.722 -7.508 1.00 0.22 C ATOM 2541 O GLY A 200 6.074 21.402 -6.018 1.00 0.28 O ATOM 0 H GLY A 200 3.469 21.663 -4.514 1.00 0.20 H new ATOM 0 HA2 GLY A 200 2.950 20.332 -6.853 1.00 0.26 H new ATOM 0 HA3 GLY A 200 3.531 21.964 -6.594 1.00 0.26 H new ATOM 2545 N PRO A 201 5.659 20.158 -7.843 1.00 0.15 N ATOM 2546 CA PRO A 201 7.071 20.033 -8.219 1.00 0.12 C ATOM 2547 C PRO A 201 7.744 21.391 -8.393 1.00 0.10 C ATOM 2548 O PRO A 201 7.090 22.433 -8.337 1.00 0.18 O ATOM 2549 CB PRO A 201 7.029 19.283 -9.554 1.00 0.12 C ATOM 2550 CG PRO A 201 5.716 18.579 -9.560 1.00 0.16 C ATOM 2551 CD PRO A 201 4.772 19.455 -8.787 1.00 0.15 C ATOM 0 HA PRO A 201 7.650 19.521 -7.450 1.00 0.12 H new ATOM 0 HB2 PRO A 201 7.112 19.971 -10.396 1.00 0.12 H new ATOM 0 HB3 PRO A 201 7.856 18.577 -9.636 1.00 0.12 H new ATOM 0 HG2 PRO A 201 5.360 18.426 -10.579 1.00 0.16 H new ATOM 0 HG3 PRO A 201 5.799 17.594 -9.100 1.00 0.16 H new ATOM 0 HD2 PRO A 201 4.245 20.152 -9.439 1.00 0.15 H new ATOM 0 HD3 PRO A 201 4.014 18.869 -8.267 1.00 0.15 H new ATOM 2559 N SER A 202 9.056 21.370 -8.603 1.00 0.07 N ATOM 2560 CA SER A 202 9.823 22.598 -8.782 1.00 0.07 C ATOM 2561 C SER A 202 9.213 23.474 -9.873 1.00 0.07 C ATOM 2562 O SER A 202 9.065 23.046 -11.018 1.00 0.15 O ATOM 2563 CB SER A 202 11.275 22.269 -9.132 1.00 0.08 C ATOM 2564 OG SER A 202 12.174 22.945 -8.270 1.00 1.28 O ATOM 0 H SER A 202 9.611 20.516 -8.653 1.00 0.07 H new ATOM 0 HA SER A 202 9.796 23.151 -7.843 1.00 0.07 H new ATOM 0 HB2 SER A 202 11.435 21.193 -9.058 1.00 0.08 H new ATOM 0 HB3 SER A 202 11.476 22.551 -10.166 1.00 0.08 H new ATOM 0 HG SER A 202 13.095 22.716 -8.514 1.00 1.28 H new ATOM 2570 N MET A 203 8.866 24.704 -9.509 1.00 0.08 N ATOM 2571 CA MET A 203 8.279 25.646 -10.455 1.00 0.07 C ATOM 2572 C MET A 203 6.921 25.157 -10.952 1.00 0.07 C ATOM 2573 O MET A 203 5.879 25.595 -10.464 1.00 0.10 O ATOM 2574 CB MET A 203 9.226 25.869 -11.636 1.00 0.08 C ATOM 2575 CG MET A 203 9.944 27.208 -11.595 1.00 1.13 C ATOM 2576 SD MET A 203 10.045 27.993 -13.216 1.00 1.94 S ATOM 2577 CE MET A 203 11.185 26.894 -14.051 1.00 2.60 C ATOM 0 H MET A 203 8.981 25.072 -8.565 1.00 0.08 H new ATOM 0 HA MET A 203 8.127 26.593 -9.937 1.00 0.07 H new ATOM 0 HB2 MET A 203 9.967 25.069 -11.653 1.00 0.08 H new ATOM 0 HB3 MET A 203 8.659 25.798 -12.564 1.00 0.08 H new ATOM 0 HG2 MET A 203 9.425 27.873 -10.905 1.00 1.13 H new ATOM 0 HG3 MET A 203 10.950 27.064 -11.202 1.00 1.13 H new ATOM 0 HE1 MET A 203 11.350 27.246 -15.069 1.00 2.60 H new ATOM 0 HE2 MET A 203 12.134 26.877 -13.514 1.00 2.60 H new ATOM 0 HE3 MET A 203 10.766 25.888 -14.079 1.00 2.60 H new ATOM 2587 N ARG A 204 6.935 24.251 -11.927 1.00 0.09 N ATOM 2588 CA ARG A 204 5.698 23.712 -12.484 1.00 0.09 C ATOM 2589 C ARG A 204 5.199 22.530 -11.659 1.00 0.10 C ATOM 2590 O ARG A 204 4.033 22.573 -11.211 1.00 1.06 O ATOM 2591 CB ARG A 204 5.908 23.282 -13.938 1.00 0.07 C ATOM 2592 CG ARG A 204 6.938 22.176 -14.103 1.00 1.35 C ATOM 2593 CD ARG A 204 6.275 20.811 -14.207 1.00 2.18 C ATOM 2594 NE ARG A 204 5.826 20.522 -15.567 1.00 2.78 N ATOM 2595 CZ ARG A 204 6.648 20.329 -16.597 1.00 3.69 C ATOM 2596 NH1 ARG A 204 7.963 20.407 -16.434 1.00 4.20 N ATOM 2597 NH2 ARG A 204 6.152 20.061 -17.797 1.00 4.46 N ATOM 2598 OXT ARG A 204 5.975 21.573 -11.470 1.00 1.10 O ATOM 0 H ARG A 204 7.786 23.876 -12.346 1.00 0.09 H new ATOM 0 HA ARG A 204 4.944 24.499 -12.453 1.00 0.09 H new ATOM 0 HB2 ARG A 204 4.957 22.945 -14.350 1.00 0.07 H new ATOM 0 HB3 ARG A 204 6.220 24.148 -14.523 1.00 0.07 H new ATOM 0 HG2 ARG A 204 7.534 22.362 -14.997 1.00 1.35 H new ATOM 0 HG3 ARG A 204 7.623 22.186 -13.255 1.00 1.35 H new ATOM 0 HD2 ARG A 204 6.977 20.042 -13.886 1.00 2.18 H new ATOM 0 HD3 ARG A 204 5.424 20.769 -13.528 1.00 2.18 H new ATOM 0 HE ARG A 204 4.822 20.465 -15.738 1.00 2.78 H new ATOM 0 HH11 ARG A 204 8.351 20.616 -15.514 1.00 4.20 H new ATOM 0 HH12 ARG A 204 8.585 20.258 -17.228 1.00 4.20 H new ATOM 0 HH21 ARG A 204 5.142 20.003 -17.930 1.00 4.46 H new ATOM 0 HH22 ARG A 204 6.780 19.913 -18.587 1.00 4.46 H new TER 2612 ARG A 204 HETATM 2613 C8 43B A1000 -0.418 1.036 5.403 1.00 0.93 C HETATM 2614 C9 43B A1000 0.095 0.666 6.788 1.00 0.89 C HETATM 2615 C10 43B A1000 1.067 1.711 7.279 1.00 0.55 C HETATM 2616 S11 43B A1000 2.300 1.517 8.534 1.00 1.05 S HETATM 2617 C12 43B A1000 2.934 3.168 8.448 1.00 1.12 C HETATM 2618 C13 43B A1000 2.150 3.763 7.453 1.00 0.49 C HETATM 2619 N14 43B A1000 1.173 2.957 6.857 1.00 0.57 N HETATM 2620 C15 43B A1000 2.365 5.104 7.097 1.00 0.38 C HETATM 2621 C16 43B A1000 3.365 5.846 7.739 1.00 0.82 C HETATM 2622 C17 43B A1000 4.148 5.245 8.735 1.00 1.55 C HETATM 2623 C18 43B A1000 3.931 3.909 9.090 1.00 1.70 C HETATM 2624 C19 43B A1000 3.605 7.264 7.380 1.00 0.68 C HETATM 2625 C20 43B A1000 4.807 7.870 7.754 1.00 0.85 C HETATM 2626 C21 43B A1000 5.048 9.209 7.434 1.00 0.79 C HETATM 2627 C22 43B A1000 4.094 9.948 6.729 1.00 0.50 C HETATM 2628 C23 43B A1000 2.883 9.346 6.344 1.00 0.44 C HETATM 2629 C24 43B A1000 2.638 8.001 6.676 1.00 0.56 C HETATM 2630 C25 43B A1000 4.383 11.369 6.410 1.00 0.47 C HETATM 2631 N26 43B A1000 3.491 12.120 5.765 1.00 0.33 N HETATM 2632 S27 43B A1000 3.850 13.803 5.414 1.00 0.39 S HETATM 2633 C28 43B A1000 4.379 13.982 3.662 1.00 0.39 C HETATM 2634 O29 43B A1000 5.457 11.857 6.754 1.00 0.73 O HETATM 2635 O30 43B A1000 2.679 14.595 5.637 1.00 0.51 O HETATM 2636 O31 43B A1000 4.897 14.273 6.268 1.00 0.43 O HETATM 2637 C32 43B A1000 3.441 13.839 2.642 1.00 0.46 C HETATM 2638 C33 43B A1000 3.823 13.972 1.308 1.00 0.50 C HETATM 2639 C34 43B A1000 5.158 14.255 0.985 1.00 0.47 C HETATM 2640 C35 43B A1000 6.100 14.405 2.008 1.00 0.43 C HETATM 2641 C36 43B A1000 5.713 14.262 3.348 1.00 0.40 C HETATM 2642 N37 43B A1000 2.806 13.810 0.265 1.00 0.62 N HETATM 2643 O38 43B A1000 1.659 13.566 0.586 1.00 0.69 O HETATM 2644 O39 43B A1000 3.099 13.918 -0.911 1.00 0.67 O HETATM 2645 N40 43B A1000 5.561 14.377 -0.370 1.00 0.53 N HETATM 2646 C41 43B A1000 6.976 14.588 -0.696 1.00 0.54 C HETATM 2647 C42 43B A1000 7.255 14.142 -2.126 1.00 0.74 C HETATM 2648 S43 43B A1000 6.983 12.349 -2.314 1.00 0.30 S HETATM 2649 C44 43B A1000 6.505 11.632 -0.767 1.00 0.30 C HETATM 2650 C45 43B A1000 7.465 11.396 0.223 1.00 0.34 C HETATM 2651 C46 43B A1000 7.082 10.841 1.450 1.00 0.39 C HETATM 2652 C47 43B A1000 5.741 10.510 1.680 1.00 0.41 C HETATM 2653 C48 43B A1000 4.785 10.737 0.686 1.00 0.37 C HETATM 2654 C49 43B A1000 5.165 11.292 -0.538 1.00 0.31 C HETATM 2655 C1 43B A1000 2.722 0.584 2.488 1.00 0.42 C HETATM 2656 C2 43B A1000 1.980 -0.530 2.895 1.00 1.12 C HETATM 2657 C3 43B A1000 0.958 -0.384 3.839 1.00 1.17 C HETATM 2658 C4 43B A1000 0.679 0.876 4.382 1.00 0.59 C HETATM 2659 C5 43B A1000 1.423 1.990 3.974 1.00 1.29 C HETATM 2660 C6 43B A1000 2.443 1.846 3.027 1.00 1.27 C HETATM 0 HR 43B A1000 5.443 10.075 2.634 1.00 0.41 H new HETATM 0 HQ2 43B A1000 3.741 10.480 0.866 1.00 0.37 H new HETATM 0 HQ1 43B A1000 7.827 10.667 2.226 1.00 0.39 H new HETATM 0 HP2 43B A1000 4.419 11.461 -1.315 1.00 0.31 H new HETATM 0 HP1 43B A1000 8.510 11.644 0.039 1.00 0.34 H new HETATM 0 HO2 43B A1000 6.607 14.686 -2.814 1.00 0.74 H new HETATM 0 HO1 43B A1000 8.283 14.388 -2.394 1.00 0.74 H new HETATM 0 HN2 43B A1000 7.231 15.641 -0.579 1.00 0.54 H new HETATM 0 HN1 43B A1000 7.604 14.029 -0.003 1.00 0.54 H new HETATM 0 HM 43B A1000 6.450 14.369 4.144 1.00 0.40 H new HETATM 0 HL 43B A1000 7.137 14.634 1.763 1.00 0.43 H new HETATM 0 HK 43B A1000 2.402 13.622 2.889 1.00 0.46 H new HETATM 0 HJ2 43B A1000 2.138 9.918 5.791 1.00 0.44 H new HETATM 0 HJ1 43B A1000 5.984 9.679 7.736 1.00 0.79 H new HETATM 0 HI2 43B A1000 1.698 7.531 6.387 1.00 0.56 H new HETATM 0 HI1 43B A1000 5.559 7.297 8.297 1.00 0.85 H new HETATM 0 HH 43B A1000 4.539 3.446 9.867 1.00 1.70 H new HETATM 0 HG 43B A1000 4.928 5.820 9.234 1.00 1.55 H new HETATM 0 HF 43B A1000 1.755 5.567 6.322 1.00 0.38 H new HETATM 0 HE2 43B A1000 -0.741 0.581 7.483 1.00 0.89 H new HETATM 0 HE1 43B A1000 0.583 -0.308 6.755 1.00 0.89 H new HETATM 0 HD2 43B A1000 -1.265 0.403 5.140 1.00 0.93 H new HETATM 0 HD1 43B A1000 -0.777 2.065 5.403 1.00 0.93 H new HETATM 0 HC2 43B A1000 1.207 2.972 4.395 1.00 1.29 H new HETATM 0 HC1 43B A1000 0.378 -1.252 4.152 1.00 1.17 H new HETATM 0 HB2 43B A1000 3.020 2.715 2.709 1.00 1.27 H new HETATM 0 HB1 43B A1000 2.198 -1.512 2.476 1.00 1.12 H new HETATM 0 HA 43B A1000 3.517 0.470 1.751 1.00 0.42 H new HETATM 0 H40 43B A1000 4.868 14.318 -1.116 1.00 0.53 H new HETATM 0 H26 43B A1000 2.600 11.717 5.475 1.00 0.33 H new CONECT 2613 2614 2658 2661 2662 CONECT 2614 2613 2615 2663 2664 CONECT 2615 2614 2616 2619 CONECT 2616 2615 2617 CONECT 2617 2616 2618 2623 CONECT 2618 2617 2619 2620 CONECT 2619 2615 2618 CONECT 2620 2618 2621 2665 CONECT 2621 2620 2622 2624 CONECT 2622 2621 2623 2666 CONECT 2623 2617 2622 2667 CONECT 2624 2621 2625 2629 CONECT 2625 2624 2626 2668 CONECT 2626 2625 2627 2669 CONECT 2627 2626 2628 2630 CONECT 2628 2627 2629 2670 CONECT 2629 2624 2628 2671 CONECT 2630 2627 2631 2634 CONECT 2631 2630 2632 2672 CONECT 2632 2631 2633 2635 2636 CONECT 2633 2632 2637 2641 CONECT 2634 2630 CONECT 2635 2632 CONECT 2636 2632 CONECT 2637 2633 2638 2673 CONECT 2638 2637 2639 2642 CONECT 2639 2638 2640 2645 CONECT 2640 2639 2641 2674 CONECT 2641 2633 2640 2675 CONECT 2642 2638 2643 2644 CONECT 2643 2642 CONECT 2644 2642 CONECT 2645 2639 2646 2676 CONECT 2646 2645 2647 2677 2678 CONECT 2647 2646 2648 2679 2680 CONECT 2648 2647 2649 CONECT 2649 2648 2650 2654 CONECT 2650 2649 2651 2681 CONECT 2651 2650 2652 2682 CONECT 2652 2651 2653 2683 CONECT 2653 2652 2654 2684 CONECT 2654 2649 2653 2685 CONECT 2655 2656 2660 2686 CONECT 2656 2655 2657 2687 CONECT 2657 2656 2658 2688 CONECT 2658 2613 2657 2659 CONECT 2659 2658 2660 2689 CONECT 2660 2655 2659 2690 CONECT 2661 2613 CONECT 2662 2613 CONECT 2663 2614 CONECT 2664 2614 CONECT 2665 2620 CONECT 2666 2622 CONECT 2667 2623 CONECT 2668 2625 CONECT 2669 2626 CONECT 2670 2628 CONECT 2671 2629 CONECT 2672 2631 CONECT 2673 2637 CONECT 2674 2640 CONECT 2675 2641 CONECT 2676 2645 CONECT 2677 2646 CONECT 2678 2646 CONECT 2679 2647 CONECT 2680 2647 CONECT 2681 2650 CONECT 2682 2651 CONECT 2683 2652 CONECT 2684 2653 CONECT 2685 2654 CONECT 2686 2655 CONECT 2687 2656 CONECT 2688 2657 CONECT 2689 2659 CONECT 2690 2660 END