USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) HEADER SIGNALING PROTEIN 31-AUG-99 1CXX TITLE MUTANT R122A OF QUAIL CYSTEINE AND GLYCINE-RICH PROTEIN, TITLE 2 NMR, MINIMIZED STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYSTEINE AND GLYCINE-RICH PROTEIN CRP2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CARBOXYL-TERMINAL LIM-DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: COTURNIX JAPONICA; SOURCE 3 ORGANISM_COMMON: JAPANESE QUAIL; SOURCE 4 ORGANISM_TAXID: 93934; SOURCE 5 CELL: FIBROBLAST; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET3D KEYWDS LIM DOMAIN CONTAINING PROTEINS, METAL-BINDING PROTEIN, KEYWDS 2 SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR K.KLOIBER,R.WEISKIRCHEN,B.KRAEUTLER,K.BISTER,R.KONRAT REVDAT 4 24-FEB-09 1CXX 1 VERSN REVDAT 3 01-APR-03 1CXX 1 JRNL REVDAT 2 02-APR-00 1CXX 1 JRNL REVDAT 1 08-SEP-99 1CXX 0 JRNL AUTH K.KLOIBER,R.WEISKIRCHEN,B.KRAUTLER,K.BISTER, JRNL AUTH 2 R.KONRAT JRNL TITL MUTATIONAL ANALYSIS AND NMR SPECTROSCOPY OF QUAIL JRNL TITL 2 CYSTEINE AND GLYCINE-RICH PROTEIN CRP2 REVEAL AN JRNL TITL 3 INTRINSIC SEGMENTAL FLEXIBILITY OF LIM DOMAINS. JRNL REF J.MOL.BIOL. V. 292 893 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 10525413 JRNL DOI 10.1006/JMBI.1999.3118 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 340 NOE- REMARK 3 DERIVED DISTANCE RESTRAINTS AS WELL AS 16 DISTANCE RESTRAINTS REMARK 3 DERIVED FROM HYDROGEN BONDS REMARK 4 REMARK 4 1CXX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-SEP-99. REMARK 100 THE RCSB ID CODE IS RCSB009615. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 299 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.1MM QCRP2(LIM2)R122A 15N; REMARK 210 20MM POTASSIUM PHOSPHATE; 50MM REMARK 210 POTASSIUM CHLORIDE; 0.5MM DTT; REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, 3D-15N-SEPARATED TOCSY, REMARK 210 HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG 3.3, X-PLOR 3.1, REMARK 210 NMRPIPE 1.7 REMARK 210 METHOD USED : SIMULATED ANNEALING, REMARK 210 MOLECULAR DYNAMICS REFINEMENT, REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 11 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 15N-EDITED REMARK 210 SPECTRA AND HOMONUCLEAR 2D SPECTRA 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 82 REMARK 465 ASP A 83 REMARK 465 ARG A 84 REMARK 465 GLY A 85 REMARK 465 GLU A 86 REMARK 465 ARG A 87 REMARK 465 LEU A 88 REMARK 465 GLY A 89 REMARK 465 ILE A 90 REMARK 465 LYS A 91 REMARK 465 PRO A 92 REMARK 465 GLU A 93 REMARK 465 SER A 94 REMARK 465 SER A 95 REMARK 465 PRO A 96 REMARK 465 SER A 97 REMARK 465 PRO A 98 REMARK 465 HIS A 99 REMARK 465 ARG A 100 REMARK 465 PRO A 101 REMARK 465 THR A 102 REMARK 465 THR A 103 REMARK 465 ASN A 104 REMARK 465 PRO A 105 REMARK 465 ASN A 106 REMARK 465 THR A 107 REMARK 465 SER A 108 REMARK 465 LYS A 109 REMARK 465 PHE A 110 REMARK 465 ALA A 111 REMARK 465 GLN A 112 REMARK 465 LYS A 113 REMARK 465 PHE A 114 REMARK 465 GLY A 115 REMARK 465 GLY A 116 REMARK 465 PHE A 176 REMARK 465 GLY A 177 REMARK 465 PRO A 178 REMARK 465 LYS A 179 REMARK 465 GLY A 180 REMARK 465 PHE A 181 REMARK 465 GLY A 182 REMARK 465 TYR A 183 REMARK 465 GLY A 184 REMARK 465 GLN A 185 REMARK 465 GLY A 186 REMARK 465 ALA A 187 REMARK 465 GLY A 188 REMARK 465 ALA A 189 REMARK 465 LEU A 190 REMARK 465 VAL A 191 REMARK 465 HIS A 192 REMARK 465 ALA A 193 REMARK 465 GLN A 194 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 TYR A 128 -96.07 -79.05 REMARK 500 ALA A 129 -56.56 -171.90 REMARK 500 ALA A 130 69.76 -114.56 REMARK 500 GLU A 131 -62.58 -164.94 REMARK 500 ALA A 136 83.08 63.20 REMARK 500 LYS A 138 107.19 -54.11 REMARK 500 LYS A 149 -64.58 -98.08 REMARK 500 GLU A 155 88.35 -170.65 REMARK 500 LEU A 159 132.04 67.64 REMARK 500 GLU A 163 33.32 -92.02 REMARK 500 GLU A 165 -166.08 140.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 1 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 120 SG REMARK 620 2 CYS A 123 SG 107.4 REMARK 620 3 HIS A 141 ND1 107.1 107.6 REMARK 620 4 CYS A 144 SG 111.2 111.0 112.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 2 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 168 SG REMARK 620 2 CYS A 171 SG 105.5 REMARK 620 3 CYS A 147 SG 110.6 111.9 REMARK 620 4 CYS A 150 SG 111.1 109.1 108.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 2 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1QLI RELATED DB: PDB REMARK 900 RELATED WILD-TYPE PEPTIDE: CARBOXYLTERMINAL LIM DOMAIN OF REMARK 900 QCRP2 DBREF 1CXX A 82 194 UNP Q05158 CSRP2_COTJA 82 194 SEQADV 1CXX ALA A 122 UNP Q05158 ARG 122 ENGINEERED SEQRES 1 A 113 MET ASP ARG GLY GLU ARG LEU GLY ILE LYS PRO GLU SER SEQRES 2 A 113 SER PRO SER PRO HIS ARG PRO THR THR ASN PRO ASN THR SEQRES 3 A 113 SER LYS PHE ALA GLN LYS PHE GLY GLY ALA GLU LYS CYS SEQRES 4 A 113 SER ALA CYS GLY ASP SER VAL TYR ALA ALA GLU LYS VAL SEQRES 5 A 113 ILE GLY ALA GLY LYS PRO TRP HIS LYS ASN CYS PHE ARG SEQRES 6 A 113 CYS ALA LYS CYS GLY LYS SER LEU GLU SER THR THR LEU SEQRES 7 A 113 THR GLU LYS GLU GLY GLU ILE TYR CYS LYS GLY CYS TYR SEQRES 8 A 113 ALA LYS ASN PHE GLY PRO LYS GLY PHE GLY TYR GLY GLN SEQRES 9 A 113 GLY ALA GLY ALA LEU VAL HIS ALA GLN HET ZN A 1 1 HET ZN A 2 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) HELIX 1 1 CYS A 168 ASN A 175 1 8 SHEET 1 A 2 VAL A 133 ILE A 134 0 SHEET 2 A 2 PRO A 139 TRP A 140 -1 N TRP A 140 O VAL A 133 SHEET 1 B 2 GLU A 161 LYS A 162 0 SHEET 2 B 2 GLU A 165 ILE A 166 -1 O GLU A 165 N LYS A 162 LINK ZN ZN A 1 SG CYS A 120 1555 1555 2.29 LINK ZN ZN A 1 SG CYS A 123 1555 1555 2.30 LINK ZN ZN A 1 ND1 HIS A 141 1555 1555 2.01 LINK ZN ZN A 1 SG CYS A 144 1555 1555 2.30 LINK ZN ZN A 2 SG CYS A 168 1555 1555 2.30 LINK ZN ZN A 2 SG CYS A 171 1555 1555 2.29 LINK ZN ZN A 2 SG CYS A 147 1555 1555 2.30 LINK ZN ZN A 2 SG CYS A 150 1555 1555 2.30 SITE *** AC1 4 CYS A 120 CYS A 123 HIS A 141 CYS A 144 SITE *** AC2 4 CYS A 147 CYS A 150 CYS A 168 CYS A 171 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 119 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000174) USER MOD Single : A 121 SER OG : rot 103:sc= 0.029 USER MOD Single : A 126 SER OG : rot 52:sc= 1.18 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -169:sc= -0.013 (180deg=-0.153) USER MOD Single : A 138 LYS NZ :NH3+ -129:sc= -0.36 (180deg=-1.55) USER MOD Single : A 142 LYS NZ :NH3+ -145:sc= -0.154 (180deg=-1.57!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0412) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 110:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 158 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 160 THR OG1 : rot 19:sc= 0.472 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 180:sc= -0.0754 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot -14:sc= 0.75 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 5.240 9.629 3.662 1.00 0.00 N ATOM 2 CA ALA A 117 4.491 8.946 4.713 1.00 0.00 C ATOM 3 C ALA A 117 3.187 8.362 4.159 1.00 0.00 C ATOM 4 O ALA A 117 2.913 7.175 4.285 1.00 0.00 O ATOM 5 CB ALA A 117 4.205 9.886 5.889 1.00 0.00 C ATOM 0 HA ALA A 117 5.106 8.125 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.646 9.350 6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.146 10.242 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.619 10.736 5.541 1.00 0.00 H new ATOM 11 N GLU A 118 2.416 9.284 3.537 1.00 0.00 N ATOM 12 CA GLU A 118 1.131 8.938 2.941 1.00 0.00 C ATOM 13 C GLU A 118 1.338 8.463 1.498 1.00 0.00 C ATOM 14 O GLU A 118 1.119 9.202 0.545 1.00 0.00 O ATOM 15 CB GLU A 118 0.198 10.159 2.978 1.00 0.00 C ATOM 16 CG GLU A 118 -0.136 10.604 4.409 1.00 0.00 C ATOM 17 CD GLU A 118 -1.206 11.710 4.393 1.00 0.00 C ATOM 18 OE1 GLU A 118 -2.392 11.383 4.336 1.00 0.00 O ATOM 19 OE2 GLU A 118 -0.843 12.886 4.438 1.00 0.00 O ATOM 0 H GLU A 118 2.672 10.267 3.442 1.00 0.00 H new ATOM 0 HA GLU A 118 0.673 8.129 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 118 0.667 10.986 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.726 9.922 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.494 9.752 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.765 10.968 4.903 1.00 0.00 H new ATOM 26 N LYS A 119 1.722 7.172 1.393 1.00 0.00 N ATOM 27 CA LYS A 119 1.937 6.632 0.057 1.00 0.00 C ATOM 28 C LYS A 119 1.745 5.114 0.007 1.00 0.00 C ATOM 29 O LYS A 119 2.181 4.370 0.877 1.00 0.00 O ATOM 30 CB LYS A 119 3.327 7.052 -0.460 1.00 0.00 C ATOM 31 CG LYS A 119 4.520 6.247 0.096 1.00 0.00 C ATOM 32 CD LYS A 119 4.636 6.253 1.627 1.00 0.00 C ATOM 33 CE LYS A 119 5.896 5.541 2.123 1.00 0.00 C ATOM 34 NZ LYS A 119 5.990 5.558 3.577 1.00 0.00 N ATOM 0 H LYS A 119 1.878 6.529 2.169 1.00 0.00 H new ATOM 0 HA LYS A 119 1.179 7.052 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.331 6.968 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.480 8.105 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.436 5.215 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.441 6.648 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.641 7.283 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.758 5.771 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.893 4.509 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.777 6.021 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.848 5.051 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.035 6.542 3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.154 5.093 3.984 1.00 0.00 H new ATOM 48 N CYS A 120 1.062 4.717 -1.090 1.00 0.00 N ATOM 49 CA CYS A 120 0.815 3.311 -1.348 1.00 0.00 C ATOM 50 C CYS A 120 1.985 2.822 -2.189 1.00 0.00 C ATOM 51 O CYS A 120 2.199 3.244 -3.319 1.00 0.00 O ATOM 52 CB CYS A 120 -0.496 3.115 -2.090 1.00 0.00 C ATOM 53 SG CYS A 120 -0.727 1.436 -2.709 1.00 0.00 S ATOM 0 H CYS A 120 0.683 5.352 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 120 0.733 2.751 -0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -1.322 3.366 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -0.538 3.812 -2.927 1.00 0.00 H new ATOM 58 N SER A 121 2.718 1.906 -1.536 1.00 0.00 N ATOM 59 CA SER A 121 3.897 1.313 -2.135 1.00 0.00 C ATOM 60 C SER A 121 3.534 0.135 -3.068 1.00 0.00 C ATOM 61 O SER A 121 4.421 -0.536 -3.583 1.00 0.00 O ATOM 62 CB SER A 121 4.821 0.891 -0.950 1.00 0.00 C ATOM 63 OG SER A 121 4.624 1.512 0.387 1.00 0.00 O ATOM 0 H SER A 121 2.506 1.569 -0.597 1.00 0.00 H new ATOM 0 HA SER A 121 4.415 2.021 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.723 -0.188 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.850 1.085 -1.252 1.00 0.00 H new ATOM 0 HG SER A 121 4.152 0.884 0.973 1.00 0.00 H new ATOM 69 N ALA A 122 2.204 -0.085 -3.256 1.00 0.00 N ATOM 70 CA ALA A 122 1.759 -1.190 -4.102 1.00 0.00 C ATOM 71 C ALA A 122 1.679 -0.747 -5.569 1.00 0.00 C ATOM 72 O ALA A 122 2.319 -1.324 -6.440 1.00 0.00 O ATOM 73 CB ALA A 122 0.407 -1.696 -3.597 1.00 0.00 C ATOM 0 H ALA A 122 1.457 0.474 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 122 2.480 -2.006 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.070 -2.521 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.509 -2.041 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.323 -0.887 -3.638 1.00 0.00 H new ATOM 79 N CYS A 123 0.856 0.305 -5.781 1.00 0.00 N ATOM 80 CA CYS A 123 0.669 0.855 -7.120 1.00 0.00 C ATOM 81 C CYS A 123 1.689 1.973 -7.395 1.00 0.00 C ATOM 82 O CYS A 123 1.871 2.397 -8.530 1.00 0.00 O ATOM 83 CB CYS A 123 -0.760 1.387 -7.254 1.00 0.00 C ATOM 84 SG CYS A 123 -1.159 2.756 -6.139 1.00 0.00 S ATOM 0 H CYS A 123 0.324 0.775 -5.049 1.00 0.00 H new ATOM 0 HA CYS A 123 0.830 0.067 -7.856 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -0.917 1.714 -8.282 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -1.457 0.570 -7.069 1.00 0.00 H new ATOM 89 N GLY A 124 2.334 2.417 -6.290 1.00 0.00 N ATOM 90 CA GLY A 124 3.332 3.472 -6.367 1.00 0.00 C ATOM 91 C GLY A 124 2.715 4.877 -6.266 1.00 0.00 C ATOM 92 O GLY A 124 3.437 5.866 -6.220 1.00 0.00 O ATOM 0 H GLY A 124 2.172 2.055 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.058 3.339 -5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.876 3.385 -7.307 1.00 0.00 H new ATOM 96 N ASP A 125 1.359 4.917 -6.234 1.00 0.00 N ATOM 97 CA ASP A 125 0.669 6.204 -6.140 1.00 0.00 C ATOM 98 C ASP A 125 0.502 6.556 -4.660 1.00 0.00 C ATOM 99 O ASP A 125 0.549 5.687 -3.798 1.00 0.00 O ATOM 100 CB ASP A 125 -0.699 6.121 -6.835 1.00 0.00 C ATOM 101 CG ASP A 125 -0.541 5.768 -8.327 1.00 0.00 C ATOM 102 OD1 ASP A 125 -0.271 6.670 -9.120 1.00 0.00 O ATOM 103 OD2 ASP A 125 -0.688 4.598 -8.679 1.00 0.00 O ATOM 0 H ASP A 125 0.751 4.099 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 125 1.251 6.980 -6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -1.316 5.369 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -1.219 7.074 -6.736 1.00 0.00 H new ATOM 108 N SER A 126 0.321 7.874 -4.410 1.00 0.00 N ATOM 109 CA SER A 126 0.145 8.290 -3.021 1.00 0.00 C ATOM 110 C SER A 126 -1.317 8.081 -2.630 1.00 0.00 C ATOM 111 O SER A 126 -2.200 8.044 -3.480 1.00 0.00 O ATOM 112 CB SER A 126 0.489 9.793 -2.823 1.00 0.00 C ATOM 113 OG SER A 126 0.045 10.499 -1.589 1.00 0.00 O ATOM 0 H SER A 126 0.295 8.617 -5.109 1.00 0.00 H new ATOM 0 HA SER A 126 0.816 7.695 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 126 1.573 9.888 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 126 0.077 10.335 -3.674 1.00 0.00 H new ATOM 0 HG SER A 126 0.324 9.987 -0.801 1.00 0.00 H new ATOM 119 N VAL A 127 -1.520 7.958 -1.299 1.00 0.00 N ATOM 120 CA VAL A 127 -2.842 7.767 -0.763 1.00 0.00 C ATOM 121 C VAL A 127 -3.530 9.122 -0.550 1.00 0.00 C ATOM 122 O VAL A 127 -2.908 10.177 -0.568 1.00 0.00 O ATOM 123 CB VAL A 127 -2.759 6.948 0.526 1.00 0.00 C ATOM 124 CG1 VAL A 127 -2.142 5.567 0.280 1.00 0.00 C ATOM 125 CG2 VAL A 127 -2.045 7.675 1.668 1.00 0.00 C ATOM 0 H VAL A 127 -0.778 7.990 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 127 -3.452 7.208 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 127 -3.790 6.810 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -2.100 5.015 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -2.753 5.018 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.134 5.684 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -2.024 7.035 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -1.025 7.912 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -2.578 8.597 1.902 1.00 0.00 H new ATOM 135 N TYR A 128 -4.858 8.995 -0.349 1.00 0.00 N ATOM 136 CA TYR A 128 -5.712 10.150 -0.119 1.00 0.00 C ATOM 137 C TYR A 128 -5.565 10.605 1.351 1.00 0.00 C ATOM 138 O TYR A 128 -4.646 11.341 1.690 1.00 0.00 O ATOM 139 CB TYR A 128 -7.148 9.778 -0.549 1.00 0.00 C ATOM 140 CG TYR A 128 -8.187 10.811 -0.190 1.00 0.00 C ATOM 141 CD1 TYR A 128 -8.000 12.158 -0.475 1.00 0.00 C ATOM 142 CD2 TYR A 128 -9.347 10.424 0.468 1.00 0.00 C ATOM 143 CE1 TYR A 128 -8.944 13.104 -0.098 1.00 0.00 C ATOM 144 CE2 TYR A 128 -10.301 11.353 0.852 1.00 0.00 C ATOM 145 CZ TYR A 128 -10.112 12.710 0.566 1.00 0.00 C ATOM 146 OH TYR A 128 -11.057 13.655 0.957 1.00 0.00 O ATOM 0 H TYR A 128 -5.349 8.101 -0.344 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.423 11.013 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -7.164 9.623 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.420 8.829 -0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.109 12.473 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -9.509 9.378 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -8.777 14.148 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -11.191 11.030 1.372 1.00 0.00 H new ATOM 0 HH TYR A 128 -11.804 13.205 1.404 1.00 0.00 H new ATOM 156 N ALA A 129 -6.512 10.126 2.187 1.00 0.00 N ATOM 157 CA ALA A 129 -6.536 10.476 3.601 1.00 0.00 C ATOM 158 C ALA A 129 -7.600 9.614 4.296 1.00 0.00 C ATOM 159 O ALA A 129 -7.330 8.895 5.250 1.00 0.00 O ATOM 160 CB ALA A 129 -6.865 11.969 3.771 1.00 0.00 C ATOM 0 H ALA A 129 -7.262 9.499 1.896 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.559 10.291 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.880 12.220 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.107 12.568 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.842 12.178 3.335 1.00 0.00 H new ATOM 166 N ALA A 130 -8.823 9.751 3.737 1.00 0.00 N ATOM 167 CA ALA A 130 -10.001 9.045 4.223 1.00 0.00 C ATOM 168 C ALA A 130 -10.487 8.060 3.150 1.00 0.00 C ATOM 169 O ALA A 130 -11.533 8.234 2.536 1.00 0.00 O ATOM 170 CB ALA A 130 -11.082 10.080 4.558 1.00 0.00 C ATOM 0 H ALA A 130 -9.008 10.357 2.937 1.00 0.00 H new ATOM 0 HA ALA A 130 -9.766 8.474 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -11.973 9.570 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -10.711 10.758 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -11.332 10.648 3.662 1.00 0.00 H new ATOM 176 N GLU A 131 -9.647 7.017 2.978 1.00 0.00 N ATOM 177 CA GLU A 131 -9.936 5.965 2.007 1.00 0.00 C ATOM 178 C GLU A 131 -9.032 4.767 2.303 1.00 0.00 C ATOM 179 O GLU A 131 -9.485 3.677 2.630 1.00 0.00 O ATOM 180 CB GLU A 131 -9.705 6.472 0.569 1.00 0.00 C ATOM 181 CG GLU A 131 -9.975 5.410 -0.511 1.00 0.00 C ATOM 182 CD GLU A 131 -9.679 5.977 -1.910 1.00 0.00 C ATOM 183 OE1 GLU A 131 -10.570 6.584 -2.502 1.00 0.00 O ATOM 184 OE2 GLU A 131 -8.559 5.805 -2.391 1.00 0.00 O ATOM 0 H GLU A 131 -8.777 6.890 3.496 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.982 5.669 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -10.349 7.333 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.676 6.819 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.355 4.532 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -11.014 5.083 -0.457 1.00 0.00 H new ATOM 191 N LYS A 132 -7.722 5.062 2.165 1.00 0.00 N ATOM 192 CA LYS A 132 -6.683 4.063 2.358 1.00 0.00 C ATOM 193 C LYS A 132 -6.696 3.486 3.781 1.00 0.00 C ATOM 194 O LYS A 132 -6.834 4.193 4.772 1.00 0.00 O ATOM 195 CB LYS A 132 -5.320 4.686 2.005 1.00 0.00 C ATOM 196 CG LYS A 132 -4.610 5.450 3.133 1.00 0.00 C ATOM 197 CD LYS A 132 -5.284 6.752 3.582 1.00 0.00 C ATOM 198 CE LYS A 132 -4.481 7.430 4.699 1.00 0.00 C ATOM 199 NZ LYS A 132 -4.456 6.644 5.927 1.00 0.00 N ATOM 0 H LYS A 132 -7.372 5.988 1.920 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.874 3.220 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -4.659 3.891 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -5.462 5.368 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -4.525 4.790 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -3.596 5.681 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -5.376 7.429 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.294 6.541 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -3.459 7.596 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -4.911 8.410 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -4.066 7.220 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -5.423 6.348 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -3.861 5.802 5.788 1.00 0.00 H new ATOM 213 N VAL A 133 -6.543 2.149 3.787 1.00 0.00 N ATOM 214 CA VAL A 133 -6.479 1.369 4.998 1.00 0.00 C ATOM 215 C VAL A 133 -4.995 1.331 5.388 1.00 0.00 C ATOM 216 O VAL A 133 -4.134 1.070 4.557 1.00 0.00 O ATOM 217 CB VAL A 133 -7.055 -0.034 4.739 1.00 0.00 C ATOM 218 CG1 VAL A 133 -6.986 -0.940 5.977 1.00 0.00 C ATOM 219 CG2 VAL A 133 -8.497 0.039 4.219 1.00 0.00 C ATOM 0 H VAL A 133 -6.461 1.593 2.936 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.069 1.795 5.810 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.425 -0.481 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.406 -1.917 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.947 -1.057 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.556 -0.490 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.873 -0.969 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -9.125 0.539 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.519 0.599 3.284 1.00 0.00 H new ATOM 229 N ILE A 134 -4.752 1.630 6.680 1.00 0.00 N ATOM 230 CA ILE A 134 -3.389 1.649 7.198 1.00 0.00 C ATOM 231 C ILE A 134 -3.093 0.339 7.945 1.00 0.00 C ATOM 232 O ILE A 134 -3.898 -0.163 8.720 1.00 0.00 O ATOM 233 CB ILE A 134 -3.202 2.899 8.076 1.00 0.00 C ATOM 234 CG1 ILE A 134 -1.714 3.138 8.392 1.00 0.00 C ATOM 235 CG2 ILE A 134 -4.055 2.866 9.357 1.00 0.00 C ATOM 236 CD1 ILE A 134 -1.432 4.548 8.925 1.00 0.00 C ATOM 0 H ILE A 134 -5.473 1.856 7.365 1.00 0.00 H new ATOM 0 HA ILE A 134 -2.668 1.711 6.383 1.00 0.00 H new ATOM 0 HB ILE A 134 -3.565 3.746 7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -1.382 2.405 9.127 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -1.126 2.973 7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -3.880 3.774 9.934 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -5.110 2.804 9.090 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -3.780 1.997 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -0.366 4.654 9.129 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -1.734 5.285 8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -1.995 4.709 9.845 1.00 0.00 H new ATOM 248 N GLY A 135 -1.880 -0.166 7.637 1.00 0.00 N ATOM 249 CA GLY A 135 -1.358 -1.389 8.230 1.00 0.00 C ATOM 250 C GLY A 135 -0.208 -1.028 9.176 1.00 0.00 C ATOM 251 O GLY A 135 0.895 -1.551 9.079 1.00 0.00 O ATOM 0 H GLY A 135 -1.245 0.271 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -2.145 -1.910 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.007 -2.066 7.451 1.00 0.00 H new ATOM 255 N ALA A 136 -0.550 -0.086 10.085 1.00 0.00 N ATOM 256 CA ALA A 136 0.381 0.434 11.084 1.00 0.00 C ATOM 257 C ALA A 136 1.544 1.154 10.381 1.00 0.00 C ATOM 258 O ALA A 136 2.613 0.595 10.162 1.00 0.00 O ATOM 259 CB ALA A 136 0.856 -0.678 12.030 1.00 0.00 C ATOM 0 H ALA A 136 -1.481 0.328 10.137 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.131 1.165 11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.548 -0.262 12.763 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.003 -1.109 12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.361 -1.454 11.455 1.00 0.00 H new ATOM 265 N GLY A 137 1.247 2.428 10.046 1.00 0.00 N ATOM 266 CA GLY A 137 2.207 3.282 9.361 1.00 0.00 C ATOM 267 C GLY A 137 1.961 3.238 7.850 1.00 0.00 C ATOM 268 O GLY A 137 1.360 4.135 7.274 1.00 0.00 O ATOM 0 H GLY A 137 0.351 2.875 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 137 2.118 4.306 9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 137 3.222 2.953 9.582 1.00 0.00 H new ATOM 272 N LYS A 138 2.470 2.123 7.276 1.00 0.00 N ATOM 273 CA LYS A 138 2.397 1.796 5.851 1.00 0.00 C ATOM 274 C LYS A 138 0.925 1.837 5.339 1.00 0.00 C ATOM 275 O LYS A 138 0.131 0.962 5.651 1.00 0.00 O ATOM 276 CB LYS A 138 3.044 0.408 5.667 1.00 0.00 C ATOM 277 CG LYS A 138 2.491 -0.672 6.631 1.00 0.00 C ATOM 278 CD LYS A 138 2.697 -2.134 6.208 1.00 0.00 C ATOM 279 CE LYS A 138 4.148 -2.611 6.235 1.00 0.00 C ATOM 280 NZ LYS A 138 4.987 -2.030 5.194 1.00 0.00 N ATOM 0 H LYS A 138 2.957 1.409 7.818 1.00 0.00 H new ATOM 0 HA LYS A 138 2.935 2.533 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.889 0.078 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.120 0.497 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.956 -0.530 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.422 -0.501 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.107 -2.774 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.305 -2.264 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.579 -2.374 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.164 -3.696 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.489 -2.788 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.393 -1.503 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.679 -1.384 5.626 1.00 0.00 H new ATOM 294 N PRO A 139 0.569 2.886 4.541 1.00 0.00 N ATOM 295 CA PRO A 139 -0.791 3.036 4.025 1.00 0.00 C ATOM 296 C PRO A 139 -0.913 2.531 2.580 1.00 0.00 C ATOM 297 O PRO A 139 -0.070 2.806 1.740 1.00 0.00 O ATOM 298 CB PRO A 139 -0.964 4.554 4.047 1.00 0.00 C ATOM 299 CG PRO A 139 0.428 5.099 3.709 1.00 0.00 C ATOM 300 CD PRO A 139 1.420 4.026 4.180 1.00 0.00 C ATOM 0 HA PRO A 139 -1.528 2.474 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.706 4.880 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -1.301 4.902 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 139 0.528 5.282 2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 139 0.610 6.048 4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 139 2.126 3.763 3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 139 2.006 4.371 5.032 1.00 0.00 H new ATOM 308 N TRP A 140 -2.005 1.772 2.365 1.00 0.00 N ATOM 309 CA TRP A 140 -2.309 1.172 1.076 1.00 0.00 C ATOM 310 C TRP A 140 -3.770 1.453 0.739 1.00 0.00 C ATOM 311 O TRP A 140 -4.612 1.572 1.619 1.00 0.00 O ATOM 312 CB TRP A 140 -2.166 -0.348 1.191 1.00 0.00 C ATOM 313 CG TRP A 140 -0.969 -0.734 2.030 1.00 0.00 C ATOM 314 CD1 TRP A 140 -0.944 -0.984 3.405 1.00 0.00 C ATOM 315 CD2 TRP A 140 0.363 -0.956 1.553 1.00 0.00 C ATOM 316 NE1 TRP A 140 0.307 -1.359 3.769 1.00 0.00 N ATOM 317 CE2 TRP A 140 1.146 -1.352 2.658 1.00 0.00 C ATOM 318 CE3 TRP A 140 0.911 -0.853 0.311 1.00 0.00 C ATOM 319 CZ2 TRP A 140 2.474 -1.634 2.476 1.00 0.00 C ATOM 320 CZ3 TRP A 140 2.260 -1.142 0.125 1.00 0.00 C ATOM 321 CH2 TRP A 140 3.045 -1.532 1.208 1.00 0.00 C ATOM 0 H TRP A 140 -2.694 1.565 3.088 1.00 0.00 H new ATOM 0 HA TRP A 140 -1.639 1.577 0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -3.070 -0.766 1.633 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -2.068 -0.781 0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -1.788 -0.893 4.072 1.00 0.00 H new ATOM 0 HE1 TRP A 140 0.591 -1.609 4.716 1.00 0.00 H new ATOM 0 HE3 TRP A 140 0.301 -0.548 -0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 3.081 -1.936 3.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.698 -1.064 -0.859 1.00 0.00 H new ATOM 0 HH2 TRP A 140 4.092 -1.755 1.066 1.00 0.00 H new ATOM 332 N HIS A 141 -4.018 1.510 -0.586 1.00 0.00 N ATOM 333 CA HIS A 141 -5.376 1.751 -1.064 1.00 0.00 C ATOM 334 C HIS A 141 -6.241 0.528 -0.726 1.00 0.00 C ATOM 335 O HIS A 141 -5.743 -0.569 -0.500 1.00 0.00 O ATOM 336 CB HIS A 141 -5.375 1.979 -2.582 1.00 0.00 C ATOM 337 CG HIS A 141 -4.647 3.249 -2.942 1.00 0.00 C ATOM 338 ND1 HIS A 141 -3.472 3.347 -3.605 1.00 0.00 N ATOM 339 CD2 HIS A 141 -5.083 4.552 -2.660 1.00 0.00 C ATOM 340 CE1 HIS A 141 -3.204 4.657 -3.723 1.00 0.00 C ATOM 341 NE2 HIS A 141 -4.165 5.411 -3.161 1.00 0.00 N ATOM 0 H HIS A 141 -3.314 1.395 -1.316 1.00 0.00 H new ATOM 0 HA HIS A 141 -5.779 2.641 -0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 141 -4.902 1.132 -3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 141 -6.401 2.030 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 141 -5.989 4.821 -2.137 1.00 0.00 H new ATOM 0 HE1 HIS A 141 -2.326 5.056 -4.209 1.00 0.00 H new ATOM 0 HE2 HIS A 141 -4.196 6.430 -3.120 1.00 0.00 H new ATOM 349 N LYS A 142 -7.563 0.803 -0.707 1.00 0.00 N ATOM 350 CA LYS A 142 -8.550 -0.234 -0.405 1.00 0.00 C ATOM 351 C LYS A 142 -8.480 -1.391 -1.424 1.00 0.00 C ATOM 352 O LYS A 142 -8.618 -2.559 -1.081 1.00 0.00 O ATOM 353 CB LYS A 142 -9.951 0.396 -0.430 1.00 0.00 C ATOM 354 CG LYS A 142 -10.127 1.534 0.588 1.00 0.00 C ATOM 355 CD LYS A 142 -11.498 2.228 0.512 1.00 0.00 C ATOM 356 CE LYS A 142 -12.634 1.459 1.198 1.00 0.00 C ATOM 357 NZ LYS A 142 -13.103 0.304 0.443 1.00 0.00 N ATOM 0 H LYS A 142 -7.959 1.724 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.336 -0.646 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -10.151 0.779 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -10.693 -0.378 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.987 1.135 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -9.345 2.276 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -11.418 3.216 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -11.758 2.379 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -12.294 1.126 2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -13.471 2.137 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -14.128 0.194 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -12.900 0.444 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -12.616 -0.551 0.779 1.00 0.00 H new ATOM 371 N ASN A 143 -8.244 -0.972 -2.687 1.00 0.00 N ATOM 372 CA ASN A 143 -8.155 -1.892 -3.817 1.00 0.00 C ATOM 373 C ASN A 143 -6.770 -2.556 -3.902 1.00 0.00 C ATOM 374 O ASN A 143 -6.647 -3.710 -4.297 1.00 0.00 O ATOM 375 CB ASN A 143 -8.437 -1.112 -5.109 1.00 0.00 C ATOM 376 CG ASN A 143 -9.837 -0.478 -5.079 1.00 0.00 C ATOM 377 OD1 ASN A 143 -10.842 -1.129 -5.339 1.00 0.00 O ATOM 378 ND2 ASN A 143 -9.831 0.827 -4.749 1.00 0.00 N ATOM 0 H ASN A 143 -8.112 0.008 -2.939 1.00 0.00 H new ATOM 0 HA ASN A 143 -8.891 -2.685 -3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -7.685 -0.334 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -8.356 -1.781 -5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -10.708 1.345 -4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -8.949 1.298 -4.546 1.00 0.00 H new ATOM 385 N CYS A 144 -5.746 -1.767 -3.505 1.00 0.00 N ATOM 386 CA CYS A 144 -4.369 -2.260 -3.545 1.00 0.00 C ATOM 387 C CYS A 144 -4.057 -3.253 -2.412 1.00 0.00 C ATOM 388 O CYS A 144 -2.998 -3.869 -2.410 1.00 0.00 O ATOM 389 CB CYS A 144 -3.404 -1.077 -3.462 1.00 0.00 C ATOM 390 SG CYS A 144 -3.466 0.012 -4.906 1.00 0.00 S ATOM 0 H CYS A 144 -5.851 -0.812 -3.163 1.00 0.00 H new ATOM 0 HA CYS A 144 -4.246 -2.795 -4.486 1.00 0.00 H new ATOM 0 HB2 CYS A 144 -3.632 -0.495 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 144 -2.388 -1.455 -3.346 1.00 0.00 H new ATOM 395 N PHE A 145 -5.012 -3.378 -1.460 1.00 0.00 N ATOM 396 CA PHE A 145 -4.814 -4.294 -0.342 1.00 0.00 C ATOM 397 C PHE A 145 -5.093 -5.729 -0.824 1.00 0.00 C ATOM 398 O PHE A 145 -6.227 -6.189 -0.896 1.00 0.00 O ATOM 399 CB PHE A 145 -5.721 -3.874 0.829 1.00 0.00 C ATOM 400 CG PHE A 145 -4.929 -3.669 2.092 1.00 0.00 C ATOM 401 CD1 PHE A 145 -4.144 -4.693 2.608 1.00 0.00 C ATOM 402 CD2 PHE A 145 -4.955 -2.448 2.752 1.00 0.00 C ATOM 403 CE1 PHE A 145 -3.387 -4.499 3.756 1.00 0.00 C ATOM 404 CE2 PHE A 145 -4.203 -2.254 3.902 1.00 0.00 C ATOM 405 CZ PHE A 145 -3.409 -3.273 4.402 1.00 0.00 C ATOM 0 H PHE A 145 -5.896 -2.869 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 145 -3.786 -4.258 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -6.245 -2.953 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -6.481 -4.638 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -4.122 -5.651 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -5.565 -1.644 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -2.781 -5.304 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.237 -1.302 4.411 1.00 0.00 H new ATOM 0 HZ PHE A 145 -2.812 -3.113 5.288 1.00 0.00 H new ATOM 415 N ARG A 146 -3.957 -6.380 -1.149 1.00 0.00 N ATOM 416 CA ARG A 146 -3.930 -7.742 -1.660 1.00 0.00 C ATOM 417 C ARG A 146 -2.952 -8.544 -0.799 1.00 0.00 C ATOM 418 O ARG A 146 -1.865 -8.090 -0.465 1.00 0.00 O ATOM 419 CB ARG A 146 -3.499 -7.695 -3.132 1.00 0.00 C ATOM 420 CG ARG A 146 -4.574 -7.054 -4.028 1.00 0.00 C ATOM 421 CD ARG A 146 -4.026 -6.574 -5.375 1.00 0.00 C ATOM 422 NE ARG A 146 -3.158 -5.422 -5.158 1.00 0.00 N ATOM 423 CZ ARG A 146 -2.645 -4.698 -6.177 1.00 0.00 C ATOM 424 NH1 ARG A 146 -2.894 -5.021 -7.443 1.00 0.00 N ATOM 425 NH2 ARG A 146 -1.880 -3.644 -5.908 1.00 0.00 N ATOM 0 H ARG A 146 -3.032 -5.961 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.907 -8.222 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -2.570 -7.131 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -3.292 -8.706 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -5.370 -7.777 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -5.020 -6.210 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -3.471 -7.376 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -4.847 -6.306 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 146 -2.930 -5.153 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -3.481 -5.827 -7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -2.498 -4.463 -8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -1.685 -3.389 -4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -1.488 -3.091 -6.670 1.00 0.00 H new ATOM 439 N CYS A 147 -3.421 -9.767 -0.469 1.00 0.00 N ATOM 440 CA CYS A 147 -2.664 -10.670 0.385 1.00 0.00 C ATOM 441 C CYS A 147 -1.348 -11.080 -0.294 1.00 0.00 C ATOM 442 O CYS A 147 -1.180 -10.941 -1.499 1.00 0.00 O ATOM 443 CB CYS A 147 -3.531 -11.892 0.674 1.00 0.00 C ATOM 444 SG CYS A 147 -2.879 -13.048 1.906 1.00 0.00 S ATOM 0 H CYS A 147 -4.317 -10.138 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 147 -2.406 -10.172 1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 147 -4.510 -11.548 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 147 -3.685 -12.434 -0.259 1.00 0.00 H new ATOM 449 N ALA A 148 -0.440 -11.585 0.563 1.00 0.00 N ATOM 450 CA ALA A 148 0.873 -12.035 0.112 1.00 0.00 C ATOM 451 C ALA A 148 1.071 -13.554 0.320 1.00 0.00 C ATOM 452 O ALA A 148 2.108 -14.098 -0.039 1.00 0.00 O ATOM 453 CB ALA A 148 1.928 -11.174 0.803 1.00 0.00 C ATOM 0 H ALA A 148 -0.599 -11.688 1.565 1.00 0.00 H new ATOM 0 HA ALA A 148 0.970 -11.902 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.921 -11.489 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 148 1.776 -10.128 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 148 1.841 -11.289 1.883 1.00 0.00 H new ATOM 459 N LYS A 149 0.031 -14.203 0.900 1.00 0.00 N ATOM 460 CA LYS A 149 0.047 -15.652 1.121 1.00 0.00 C ATOM 461 C LYS A 149 -0.735 -16.312 -0.029 1.00 0.00 C ATOM 462 O LYS A 149 -0.181 -17.058 -0.828 1.00 0.00 O ATOM 463 CB LYS A 149 -0.577 -16.045 2.476 1.00 0.00 C ATOM 464 CG LYS A 149 0.293 -15.723 3.700 1.00 0.00 C ATOM 465 CD LYS A 149 0.695 -16.928 4.560 1.00 0.00 C ATOM 466 CE LYS A 149 -0.446 -17.424 5.453 1.00 0.00 C ATOM 467 NZ LYS A 149 -0.059 -18.562 6.279 1.00 0.00 N ATOM 0 H LYS A 149 -0.820 -13.740 1.218 1.00 0.00 H new ATOM 0 HA LYS A 149 1.082 -15.994 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -1.534 -15.533 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -0.787 -17.115 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.200 -15.224 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -0.244 -15.013 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.022 -17.740 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 149 1.547 -16.656 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -0.779 -16.610 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -1.295 -17.705 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -0.867 -18.858 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 0.233 -19.351 5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 0.733 -18.290 6.896 1.00 0.00 H new ATOM 481 N CYS A 150 -2.050 -15.985 -0.051 1.00 0.00 N ATOM 482 CA CYS A 150 -2.961 -16.523 -1.062 1.00 0.00 C ATOM 483 C CYS A 150 -3.053 -15.584 -2.277 1.00 0.00 C ATOM 484 O CYS A 150 -2.979 -16.012 -3.422 1.00 0.00 O ATOM 485 CB CYS A 150 -4.341 -16.763 -0.437 1.00 0.00 C ATOM 486 SG CYS A 150 -5.249 -15.280 0.078 1.00 0.00 S ATOM 0 H CYS A 150 -2.491 -15.355 0.619 1.00 0.00 H new ATOM 0 HA CYS A 150 -2.570 -17.476 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -4.953 -17.309 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -4.217 -17.409 0.432 1.00 0.00 H new ATOM 491 N GLY A 151 -3.221 -14.287 -1.944 1.00 0.00 N ATOM 492 CA GLY A 151 -3.324 -13.235 -2.948 1.00 0.00 C ATOM 493 C GLY A 151 -4.769 -12.937 -3.384 1.00 0.00 C ATOM 494 O GLY A 151 -5.112 -13.076 -4.552 1.00 0.00 O ATOM 0 H GLY A 151 -3.287 -13.954 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.877 -12.323 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -2.741 -13.522 -3.823 1.00 0.00 H new ATOM 498 N LYS A 152 -5.579 -12.508 -2.386 1.00 0.00 N ATOM 499 CA LYS A 152 -6.976 -12.142 -2.627 1.00 0.00 C ATOM 500 C LYS A 152 -7.266 -10.788 -1.957 1.00 0.00 C ATOM 501 O LYS A 152 -6.401 -10.156 -1.364 1.00 0.00 O ATOM 502 CB LYS A 152 -7.916 -13.247 -2.111 1.00 0.00 C ATOM 503 CG LYS A 152 -8.002 -13.356 -0.580 1.00 0.00 C ATOM 504 CD LYS A 152 -9.016 -14.415 -0.131 1.00 0.00 C ATOM 505 CE LYS A 152 -9.112 -14.535 1.392 1.00 0.00 C ATOM 506 NZ LYS A 152 -9.575 -13.312 2.037 1.00 0.00 N ATOM 0 H LYS A 152 -5.281 -12.411 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.154 -12.042 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -8.916 -13.067 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -7.583 -14.204 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -7.019 -13.604 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -8.281 -12.388 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -9.998 -14.166 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -8.735 -15.381 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -9.791 -15.350 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -8.133 -14.800 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -9.732 -13.491 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -8.858 -12.567 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -10.466 -13.004 1.598 1.00 0.00 H new ATOM 520 N SER A 153 -8.556 -10.411 -2.092 1.00 0.00 N ATOM 521 CA SER A 153 -9.101 -9.178 -1.532 1.00 0.00 C ATOM 522 C SER A 153 -9.055 -9.250 -0.001 1.00 0.00 C ATOM 523 O SER A 153 -9.265 -10.308 0.580 1.00 0.00 O ATOM 524 CB SER A 153 -10.591 -9.129 -1.954 1.00 0.00 C ATOM 525 OG SER A 153 -11.476 -10.252 -1.553 1.00 0.00 O ATOM 0 H SER A 153 -9.245 -10.966 -2.599 1.00 0.00 H new ATOM 0 HA SER A 153 -8.538 -8.311 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 153 -11.019 -8.210 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 153 -10.626 -9.051 -3.041 1.00 0.00 H new ATOM 0 HG SER A 153 -12.384 -10.088 -1.884 1.00 0.00 H new ATOM 531 N LEU A 154 -8.773 -8.081 0.622 1.00 0.00 N ATOM 532 CA LEU A 154 -8.697 -8.058 2.073 1.00 0.00 C ATOM 533 C LEU A 154 -8.878 -6.623 2.597 1.00 0.00 C ATOM 534 O LEU A 154 -8.336 -5.661 2.070 1.00 0.00 O ATOM 535 CB LEU A 154 -7.389 -8.747 2.515 1.00 0.00 C ATOM 536 CG LEU A 154 -6.119 -7.877 2.455 1.00 0.00 C ATOM 537 CD1 LEU A 154 -5.657 -7.404 3.835 1.00 0.00 C ATOM 538 CD2 LEU A 154 -5.001 -8.654 1.780 1.00 0.00 C ATOM 0 H LEU A 154 -8.604 -7.190 0.156 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.513 -8.625 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.515 -9.102 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.234 -9.626 1.889 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.367 -6.986 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -4.759 -6.796 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.445 -6.810 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.438 -8.269 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.103 -8.037 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -4.793 -9.560 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.304 -8.923 0.768 1.00 0.00 H new ATOM 550 N GLU A 155 -9.702 -6.562 3.662 1.00 0.00 N ATOM 551 CA GLU A 155 -10.040 -5.324 4.358 1.00 0.00 C ATOM 552 C GLU A 155 -10.791 -5.773 5.614 1.00 0.00 C ATOM 553 O GLU A 155 -12.009 -5.902 5.646 1.00 0.00 O ATOM 554 CB GLU A 155 -10.877 -4.392 3.464 1.00 0.00 C ATOM 555 CG GLU A 155 -11.187 -3.046 4.137 1.00 0.00 C ATOM 556 CD GLU A 155 -11.767 -2.043 3.120 1.00 0.00 C ATOM 557 OE1 GLU A 155 -10.992 -1.451 2.368 1.00 0.00 O ATOM 558 OE2 GLU A 155 -12.984 -1.865 3.092 1.00 0.00 O ATOM 0 H GLU A 155 -10.152 -7.386 4.061 1.00 0.00 H new ATOM 0 HA GLU A 155 -9.159 -4.737 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -10.342 -4.213 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -11.812 -4.888 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -11.897 -3.197 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -10.278 -2.638 4.579 1.00 0.00 H new ATOM 565 N SER A 156 -9.943 -6.007 6.630 1.00 0.00 N ATOM 566 CA SER A 156 -10.361 -6.523 7.921 1.00 0.00 C ATOM 567 C SER A 156 -10.494 -5.440 8.996 1.00 0.00 C ATOM 568 O SER A 156 -10.312 -4.248 8.781 1.00 0.00 O ATOM 569 CB SER A 156 -9.256 -7.564 8.266 1.00 0.00 C ATOM 570 OG SER A 156 -8.487 -8.180 7.153 1.00 0.00 O ATOM 0 H SER A 156 -8.939 -5.837 6.565 1.00 0.00 H new ATOM 0 HA SER A 156 -11.361 -6.955 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 156 -8.543 -7.081 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 156 -9.725 -8.370 8.830 1.00 0.00 H new ATOM 0 HG SER A 156 -7.566 -7.845 7.167 1.00 0.00 H new ATOM 576 N THR A 157 -10.831 -6.007 10.170 1.00 0.00 N ATOM 577 CA THR A 157 -11.042 -5.294 11.416 1.00 0.00 C ATOM 578 C THR A 157 -9.688 -5.040 12.087 1.00 0.00 C ATOM 579 O THR A 157 -9.302 -3.914 12.375 1.00 0.00 O ATOM 580 CB THR A 157 -11.924 -6.233 12.293 1.00 0.00 C ATOM 581 OG1 THR A 157 -11.437 -7.594 12.543 1.00 0.00 O ATOM 582 CG2 THR A 157 -13.385 -6.225 11.773 1.00 0.00 C ATOM 0 H THR A 157 -10.966 -7.014 10.266 1.00 0.00 H new ATOM 0 HA THR A 157 -11.524 -4.328 11.268 1.00 0.00 H new ATOM 0 HB THR A 157 -11.864 -5.795 13.289 1.00 0.00 H new ATOM 0 HG1 THR A 157 -12.081 -8.074 13.105 1.00 0.00 H new ATOM 0 HG21 THR A 157 -13.995 -6.884 12.391 1.00 0.00 H new ATOM 0 HG22 THR A 157 -13.783 -5.211 11.821 1.00 0.00 H new ATOM 0 HG23 THR A 157 -13.406 -6.574 10.741 1.00 0.00 H new ATOM 590 N THR A 158 -9.011 -6.186 12.305 1.00 0.00 N ATOM 591 CA THR A 158 -7.698 -6.219 12.921 1.00 0.00 C ATOM 592 C THR A 158 -6.659 -5.932 11.835 1.00 0.00 C ATOM 593 O THR A 158 -5.860 -5.007 11.911 1.00 0.00 O ATOM 594 CB THR A 158 -7.480 -7.648 13.513 1.00 0.00 C ATOM 595 OG1 THR A 158 -7.558 -8.801 12.611 1.00 0.00 O ATOM 596 CG2 THR A 158 -8.356 -7.842 14.775 1.00 0.00 C ATOM 0 H THR A 158 -9.372 -7.106 12.054 1.00 0.00 H new ATOM 0 HA THR A 158 -7.607 -5.478 13.715 1.00 0.00 H new ATOM 0 HB THR A 158 -6.419 -7.652 13.764 1.00 0.00 H new ATOM 0 HG1 THR A 158 -7.400 -9.624 13.118 1.00 0.00 H new ATOM 0 HG21 THR A 158 -8.196 -8.842 15.179 1.00 0.00 H new ATOM 0 HG22 THR A 158 -8.083 -7.100 15.525 1.00 0.00 H new ATOM 0 HG23 THR A 158 -9.407 -7.722 14.511 1.00 0.00 H new ATOM 604 N LEU A 159 -6.768 -6.818 10.823 1.00 0.00 N ATOM 605 CA LEU A 159 -5.937 -6.852 9.634 1.00 0.00 C ATOM 606 C LEU A 159 -4.509 -7.244 10.021 1.00 0.00 C ATOM 607 O LEU A 159 -3.897 -6.731 10.951 1.00 0.00 O ATOM 608 CB LEU A 159 -6.052 -5.557 8.821 1.00 0.00 C ATOM 609 CG LEU A 159 -5.517 -5.685 7.381 1.00 0.00 C ATOM 610 CD1 LEU A 159 -6.249 -4.714 6.445 1.00 0.00 C ATOM 611 CD2 LEU A 159 -4.007 -5.430 7.279 1.00 0.00 C ATOM 0 H LEU A 159 -7.473 -7.555 10.827 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.296 -7.622 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -7.098 -5.251 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -5.506 -4.766 9.334 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.704 -6.716 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -5.857 -4.819 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -7.315 -4.941 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -6.095 -3.691 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.690 -5.534 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -3.784 -4.421 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -3.473 -6.153 7.896 1.00 0.00 H new ATOM 623 N THR A 160 -4.051 -8.206 9.213 1.00 0.00 N ATOM 624 CA THR A 160 -2.746 -8.814 9.335 1.00 0.00 C ATOM 625 C THR A 160 -1.800 -8.192 8.315 1.00 0.00 C ATOM 626 O THR A 160 -2.098 -8.055 7.135 1.00 0.00 O ATOM 627 CB THR A 160 -3.008 -10.288 8.957 1.00 0.00 C ATOM 628 OG1 THR A 160 -3.552 -10.541 7.618 1.00 0.00 O ATOM 629 CG2 THR A 160 -3.861 -10.939 10.075 1.00 0.00 C ATOM 0 H THR A 160 -4.600 -8.584 8.441 1.00 0.00 H new ATOM 0 HA THR A 160 -2.299 -8.690 10.322 1.00 0.00 H new ATOM 0 HB THR A 160 -2.028 -10.760 8.887 1.00 0.00 H new ATOM 0 HG1 THR A 160 -3.393 -9.760 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 160 -4.056 -11.982 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 160 -3.321 -10.888 11.021 1.00 0.00 H new ATOM 0 HG23 THR A 160 -4.807 -10.406 10.168 1.00 0.00 H new ATOM 637 N GLU A 161 -0.642 -7.833 8.876 1.00 0.00 N ATOM 638 CA GLU A 161 0.416 -7.220 8.101 1.00 0.00 C ATOM 639 C GLU A 161 1.702 -7.475 8.880 1.00 0.00 C ATOM 640 O GLU A 161 1.781 -7.220 10.076 1.00 0.00 O ATOM 641 CB GLU A 161 0.122 -5.728 7.855 1.00 0.00 C ATOM 642 CG GLU A 161 0.105 -4.818 9.096 1.00 0.00 C ATOM 643 CD GLU A 161 -1.107 -5.042 10.019 1.00 0.00 C ATOM 644 OE1 GLU A 161 -2.175 -4.501 9.734 1.00 0.00 O ATOM 645 OE2 GLU A 161 -0.969 -5.745 11.021 1.00 0.00 O ATOM 0 H GLU A 161 -0.423 -7.960 9.864 1.00 0.00 H new ATOM 0 HA GLU A 161 0.504 -7.646 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 161 0.868 -5.343 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.846 -5.648 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.019 -4.982 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.114 -3.778 8.771 1.00 0.00 H new ATOM 652 N LYS A 162 2.686 -8.019 8.139 1.00 0.00 N ATOM 653 CA LYS A 162 3.961 -8.366 8.723 1.00 0.00 C ATOM 654 C LYS A 162 5.009 -7.471 8.078 1.00 0.00 C ATOM 655 O LYS A 162 4.727 -6.677 7.187 1.00 0.00 O ATOM 656 CB LYS A 162 4.243 -9.846 8.395 1.00 0.00 C ATOM 657 CG LYS A 162 3.021 -10.777 8.526 1.00 0.00 C ATOM 658 CD LYS A 162 2.419 -10.860 9.923 1.00 0.00 C ATOM 659 CE LYS A 162 3.313 -11.603 10.916 1.00 0.00 C ATOM 660 NZ LYS A 162 2.690 -11.730 12.228 1.00 0.00 N ATOM 0 H LYS A 162 2.607 -8.220 7.142 1.00 0.00 H new ATOM 0 HA LYS A 162 3.972 -8.229 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 162 4.626 -9.912 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 162 5.031 -10.207 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 162 2.250 -10.438 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.312 -11.780 8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 162 2.234 -9.852 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 162 1.453 -11.361 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 162 3.541 -12.595 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 162 4.261 -11.074 11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 3.331 -12.240 12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 2.496 -10.784 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 1.798 -12.257 12.139 1.00 0.00 H new ATOM 674 N GLU A 163 6.239 -7.676 8.578 1.00 0.00 N ATOM 675 CA GLU A 163 7.380 -6.945 8.051 1.00 0.00 C ATOM 676 C GLU A 163 8.017 -7.778 6.927 1.00 0.00 C ATOM 677 O GLU A 163 9.226 -7.766 6.725 1.00 0.00 O ATOM 678 CB GLU A 163 8.365 -6.633 9.191 1.00 0.00 C ATOM 679 CG GLU A 163 8.876 -7.883 9.932 1.00 0.00 C ATOM 680 CD GLU A 163 9.881 -7.495 11.030 1.00 0.00 C ATOM 681 OE1 GLU A 163 9.453 -7.206 12.148 1.00 0.00 O ATOM 682 OE2 GLU A 163 11.081 -7.489 10.758 1.00 0.00 O ATOM 0 H GLU A 163 6.456 -8.330 9.330 1.00 0.00 H new ATOM 0 HA GLU A 163 7.073 -5.988 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 163 9.218 -6.090 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 163 7.879 -5.971 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 163 8.036 -8.418 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 163 9.349 -8.563 9.224 1.00 0.00 H new ATOM 689 N GLY A 164 7.116 -8.504 6.220 1.00 0.00 N ATOM 690 CA GLY A 164 7.503 -9.348 5.124 1.00 0.00 C ATOM 691 C GLY A 164 6.470 -9.256 4.003 1.00 0.00 C ATOM 692 O GLY A 164 6.602 -10.015 3.053 1.00 0.00 O ATOM 0 H GLY A 164 6.114 -8.503 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 164 8.483 -9.048 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 164 7.593 -10.380 5.463 1.00 0.00 H new ATOM 696 N GLU A 165 5.464 -8.322 4.167 1.00 0.00 N ATOM 697 CA GLU A 165 4.362 -7.998 3.248 1.00 0.00 C ATOM 698 C GLU A 165 3.066 -7.762 4.036 1.00 0.00 C ATOM 699 O GLU A 165 3.078 -7.585 5.246 1.00 0.00 O ATOM 700 CB GLU A 165 4.211 -9.047 2.150 1.00 0.00 C ATOM 701 CG GLU A 165 5.192 -8.713 1.025 1.00 0.00 C ATOM 702 CD GLU A 165 5.365 -9.883 0.042 1.00 0.00 C ATOM 703 OE1 GLU A 165 4.573 -9.987 -0.895 1.00 0.00 O ATOM 704 OE2 GLU A 165 6.287 -10.678 0.222 1.00 0.00 O ATOM 0 H GLU A 165 5.421 -7.750 5.011 1.00 0.00 H new ATOM 0 HA GLU A 165 4.601 -7.068 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 165 4.413 -10.042 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 165 3.189 -9.056 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 165 4.838 -7.835 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 165 6.160 -8.454 1.454 1.00 0.00 H new ATOM 711 N ILE A 166 1.955 -7.754 3.265 1.00 0.00 N ATOM 712 CA ILE A 166 0.623 -7.568 3.750 1.00 0.00 C ATOM 713 C ILE A 166 -0.238 -8.762 3.304 1.00 0.00 C ATOM 714 O ILE A 166 -0.290 -9.149 2.143 1.00 0.00 O ATOM 715 CB ILE A 166 0.072 -6.256 3.214 1.00 0.00 C ATOM 716 CG1 ILE A 166 0.122 -6.120 1.674 1.00 0.00 C ATOM 717 CG2 ILE A 166 0.710 -5.034 3.888 1.00 0.00 C ATOM 718 CD1 ILE A 166 -1.199 -5.593 1.114 1.00 0.00 C ATOM 0 H ILE A 166 1.993 -7.884 2.254 1.00 0.00 H new ATOM 0 HA ILE A 166 0.612 -7.520 4.839 1.00 0.00 H new ATOM 0 HB ILE A 166 -0.985 -6.284 3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 166 0.932 -5.446 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 166 0.346 -7.090 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 166 0.282 -4.123 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 166 0.516 -5.067 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 166 1.786 -5.043 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 166 -1.127 -5.510 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -2.004 -6.281 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -1.409 -4.612 1.540 1.00 0.00 H new ATOM 730 N TYR A 167 -0.910 -9.289 4.339 1.00 0.00 N ATOM 731 CA TYR A 167 -1.776 -10.468 4.180 1.00 0.00 C ATOM 732 C TYR A 167 -3.237 -10.205 4.572 1.00 0.00 C ATOM 733 O TYR A 167 -3.583 -9.176 5.136 1.00 0.00 O ATOM 734 CB TYR A 167 -1.203 -11.563 5.082 1.00 0.00 C ATOM 735 CG TYR A 167 0.276 -11.666 4.883 1.00 0.00 C ATOM 736 CD1 TYR A 167 1.090 -10.803 5.582 1.00 0.00 C ATOM 737 CD2 TYR A 167 0.850 -12.548 3.987 1.00 0.00 C ATOM 738 CE1 TYR A 167 2.443 -10.777 5.371 1.00 0.00 C ATOM 739 CE2 TYR A 167 2.228 -12.578 3.805 1.00 0.00 C ATOM 740 CZ TYR A 167 3.045 -11.695 4.513 1.00 0.00 C ATOM 741 OH TYR A 167 4.424 -11.729 4.365 1.00 0.00 O ATOM 0 H TYR A 167 -0.871 -8.920 5.289 1.00 0.00 H new ATOM 0 HA TYR A 167 -1.789 -10.752 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -1.423 -11.339 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -1.676 -12.518 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.654 -10.135 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 167 0.222 -13.221 3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 167 3.049 -10.038 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 167 2.666 -13.285 3.116 1.00 0.00 H new ATOM 0 HH TYR A 167 4.667 -12.432 3.727 1.00 0.00 H new ATOM 751 N CYS A 168 -4.051 -11.235 4.226 1.00 0.00 N ATOM 752 CA CYS A 168 -5.480 -11.274 4.524 1.00 0.00 C ATOM 753 C CYS A 168 -5.598 -12.012 5.868 1.00 0.00 C ATOM 754 O CYS A 168 -4.826 -12.921 6.144 1.00 0.00 O ATOM 755 CB CYS A 168 -6.282 -11.971 3.418 1.00 0.00 C ATOM 756 SG CYS A 168 -6.266 -13.781 3.409 1.00 0.00 S ATOM 0 H CYS A 168 -3.718 -12.061 3.729 1.00 0.00 H new ATOM 0 HA CYS A 168 -5.899 -10.270 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.318 -11.642 3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -5.905 -11.624 2.456 1.00 0.00 H new ATOM 761 N LYS A 169 -6.572 -11.579 6.692 1.00 0.00 N ATOM 762 CA LYS A 169 -6.785 -12.192 8.004 1.00 0.00 C ATOM 763 C LYS A 169 -7.329 -13.625 7.913 1.00 0.00 C ATOM 764 O LYS A 169 -7.177 -14.438 8.816 1.00 0.00 O ATOM 765 CB LYS A 169 -7.656 -11.233 8.818 1.00 0.00 C ATOM 766 CG LYS A 169 -9.186 -11.357 8.700 1.00 0.00 C ATOM 767 CD LYS A 169 -9.778 -11.367 7.280 1.00 0.00 C ATOM 768 CE LYS A 169 -11.075 -10.555 7.168 1.00 0.00 C ATOM 769 NZ LYS A 169 -12.212 -11.268 7.733 1.00 0.00 N ATOM 0 H LYS A 169 -7.213 -10.817 6.470 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.835 -12.329 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -7.393 -11.355 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.382 -10.216 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.491 -12.276 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.636 -10.530 9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -9.043 -10.966 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.973 -12.397 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -10.952 -9.602 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -11.272 -10.329 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -13.069 -10.686 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -12.345 -12.166 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -12.035 -11.462 8.739 1.00 0.00 H new ATOM 783 N GLY A 170 -7.938 -13.858 6.739 1.00 0.00 N ATOM 784 CA GLY A 170 -8.511 -15.150 6.394 1.00 0.00 C ATOM 785 C GLY A 170 -7.439 -16.251 6.287 1.00 0.00 C ATOM 786 O GLY A 170 -7.705 -17.414 6.560 1.00 0.00 O ATOM 0 H GLY A 170 -8.042 -13.152 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -9.246 -15.433 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -9.042 -15.069 5.446 1.00 0.00 H new ATOM 790 N CYS A 171 -6.215 -15.819 5.895 1.00 0.00 N ATOM 791 CA CYS A 171 -5.090 -16.735 5.755 1.00 0.00 C ATOM 792 C CYS A 171 -4.679 -17.332 7.109 1.00 0.00 C ATOM 793 O CYS A 171 -4.316 -18.498 7.199 1.00 0.00 O ATOM 794 CB CYS A 171 -3.904 -16.037 5.068 1.00 0.00 C ATOM 795 SG CYS A 171 -3.786 -16.462 3.313 1.00 0.00 S ATOM 0 H CYS A 171 -5.997 -14.847 5.675 1.00 0.00 H new ATOM 0 HA CYS A 171 -5.408 -17.563 5.121 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -4.010 -14.957 5.173 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -2.978 -16.317 5.571 1.00 0.00 H new ATOM 800 N TYR A 172 -4.764 -16.464 8.142 1.00 0.00 N ATOM 801 CA TYR A 172 -4.402 -16.872 9.498 1.00 0.00 C ATOM 802 C TYR A 172 -5.567 -17.607 10.181 1.00 0.00 C ATOM 803 O TYR A 172 -5.366 -18.355 11.130 1.00 0.00 O ATOM 804 CB TYR A 172 -3.952 -15.645 10.300 1.00 0.00 C ATOM 805 CG TYR A 172 -2.759 -14.992 9.655 1.00 0.00 C ATOM 806 CD1 TYR A 172 -2.945 -14.073 8.635 1.00 0.00 C ATOM 807 CD2 TYR A 172 -1.462 -15.296 10.051 1.00 0.00 C ATOM 808 CE1 TYR A 172 -1.869 -13.469 8.014 1.00 0.00 C ATOM 809 CE2 TYR A 172 -0.368 -14.692 9.439 1.00 0.00 C ATOM 810 CZ TYR A 172 -0.560 -13.772 8.402 1.00 0.00 C ATOM 811 OH TYR A 172 0.530 -13.153 7.790 1.00 0.00 O ATOM 0 H TYR A 172 -5.075 -15.496 8.056 1.00 0.00 H new ATOM 0 HA TYR A 172 -3.570 -17.575 9.452 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -4.771 -14.929 10.368 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.703 -15.942 11.319 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.948 -13.825 8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -1.301 -16.011 10.845 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -2.040 -12.756 7.221 1.00 0.00 H new ATOM 0 HE2 TYR A 172 0.633 -14.934 9.765 1.00 0.00 H new ATOM 0 HH TYR A 172 0.235 -12.708 6.968 1.00 0.00 H new ATOM 821 N ALA A 173 -6.785 -17.360 9.641 1.00 0.00 N ATOM 822 CA ALA A 173 -7.983 -18.007 10.169 1.00 0.00 C ATOM 823 C ALA A 173 -7.951 -19.505 9.814 1.00 0.00 C ATOM 824 O ALA A 173 -8.300 -20.364 10.615 1.00 0.00 O ATOM 825 CB ALA A 173 -9.229 -17.325 9.592 1.00 0.00 C ATOM 0 H ALA A 173 -6.950 -16.729 8.857 1.00 0.00 H new ATOM 0 HA ALA A 173 -8.015 -17.912 11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -10.123 -17.808 9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -9.231 -16.272 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -9.220 -17.410 8.505 1.00 0.00 H new ATOM 831 N LYS A 174 -7.485 -19.743 8.566 1.00 0.00 N ATOM 832 CA LYS A 174 -7.337 -21.079 8.018 1.00 0.00 C ATOM 833 C LYS A 174 -6.155 -21.785 8.701 1.00 0.00 C ATOM 834 O LYS A 174 -6.238 -22.939 9.103 1.00 0.00 O ATOM 835 CB LYS A 174 -7.096 -20.978 6.504 1.00 0.00 C ATOM 836 CG LYS A 174 -8.338 -20.521 5.724 1.00 0.00 C ATOM 837 CD LYS A 174 -8.102 -20.440 4.208 1.00 0.00 C ATOM 838 CE LYS A 174 -7.116 -19.339 3.800 1.00 0.00 C ATOM 839 NZ LYS A 174 -6.954 -19.243 2.355 1.00 0.00 N ATOM 0 H LYS A 174 -7.205 -19.002 7.923 1.00 0.00 H new ATOM 0 HA LYS A 174 -8.243 -21.658 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.280 -20.279 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -6.775 -21.949 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -9.158 -21.211 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -8.650 -19.543 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -7.728 -21.401 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -9.055 -20.266 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -7.464 -18.382 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.147 -19.535 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.278 -18.485 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -6.596 -20.147 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.872 -19.029 1.916 1.00 0.00 H new ATOM 853 N ASN A 175 -5.061 -20.997 8.800 1.00 0.00 N ATOM 854 CA ASN A 175 -3.823 -21.459 9.414 1.00 0.00 C ATOM 855 C ASN A 175 -3.923 -21.265 10.937 1.00 0.00 C ATOM 856 O ASN A 175 -4.073 -22.252 11.657 1.00 0.00 O ATOM 857 CB ASN A 175 -2.661 -20.650 8.812 1.00 0.00 C ATOM 858 CG ASN A 175 -1.293 -21.156 9.296 1.00 0.00 C ATOM 859 OD1 ASN A 175 -0.811 -22.201 8.878 1.00 0.00 O ATOM 860 ND2 ASN A 175 -0.706 -20.345 10.195 1.00 0.00 N ATOM 0 H ASN A 175 -5.023 -20.037 8.457 1.00 0.00 H new ATOM 0 HA ASN A 175 -3.649 -22.517 9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -2.705 -20.708 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -2.774 -19.599 9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 175 0.208 -20.586 10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -1.175 -19.490 10.493 1.00 0.00 H new TER 867 ASN A 175 HETATM 868 ZN ZN A 1 -2.285 1.898 -4.325 1.00 0.00 ZN HETATM 869 ZN ZN A 2 -4.529 -14.624 2.162 1.00 0.00 ZN CONECT 53 868 CONECT 84 868 CONECT 338 868 CONECT 390 868 CONECT 444 869 CONECT 486 869 CONECT 756 869 CONECT 795 869 CONECT 868 53 84 338 390 CONECT 869 444 486 756 795 END