USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) HEADER OXIDOREDUCTASE 10-JAN-00 1DSW TITLE THE SOLUTION STRUCTURE OF A MONOMERIC, REDUCED FORM OF TITLE 2 HUMAN COPPER, ZINC SUPEROXIDE DISMUTASE BEARING THE SAME TITLE 3 CHARGE AS THE NATIVE PROTEIN CAVEAT 1DSW ONE RESIDUE HAS INCORRECT CHIRALITY COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE (CU-ZN); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: M4SOD IS A MONOMERIC VARIANT OF HUMAN SOD. THE COMPND 5 MUTANT IS STUDIED IN THE REDUCED FORM, EACH MOLECULE COMPND 6 CONTAINS A CU(I) AND A ZN(II) IONS.; COMPND 7 EC: 1.15.1.1; COMPND 8 ENGINEERED: YES; COMPND 9 MUTATION: YES; COMPND 0 OTHER_DETAILS: COPPER, ZINC SUPEROXIDE DISMUTASE (SOD) IS COMPND 1 AN ENZYME WHICH CATALYZES THE DISMUTATION OF SUPEROXIDE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PBR322 KEYWDS REDUCED COPPER-ZINC-PROTEIN, BETA BARREL, SINGLE ALPHA KEYWDS 2 HELIX, OXIDOREDUCTASE EXPDTA SOLUTION NMR AUTHOR L.BANCI,I.BERTINI,R.DEL CONTE,R.FADIN,S.MANGANI,M.S.VIEZZOLI REVDAT 2 24-FEB-09 1DSW 1 VERSN REVDAT 1 22-MAR-00 1DSW 0 JRNL AUTH L.BANCI,I.BERTINI,R.DEL CONTE,R.FADIN,S.MANGANI, JRNL AUTH 2 M.S.VIEZZOLI JRNL TITL THE SOLUTION STRUCTURE OF A MONOMERIC, REDUCED JRNL TITL 2 FORM OF HUMAN COPPER,ZINC SUPEROXIDE DISMUTASE JRNL TITL 3 BEARING THE SAME CHARGE AS THE NATIVE PROTEIN. JRNL REF J.BIOL.INORG.CHEM. V. 4 795 1999 JRNL REFN ISSN 0949-8257 JRNL PMID 10631612 JRNL DOI 10.1007/S007750050353 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.0 REMARK 3 AUTHORS : PEALRMAN, DA, ET AL. (1991) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: INTENSITIES OF DIPOLAR REMARK 3 CONNECTIVITIES IN 3D NOESY-HSQC, 3D HNHA AND 2D NOESY WERE REMARK 3 MEASURED WITH THE INTEGRATION ROUTINES OF THE PROGRAM XEASY. REMARK 3 PEAK VOLUMES WERE CONVERTED INTO UPPER DISTANCE LIMITS BY REMARK 3 FOLLOWING THE METHODOLOGY OF THE PROGRAM CALIBA. 3JHNHA REMARK 3 COUPLING CONSTANTS WERE OBTAINED FROM THE RATIO BETWEEN THE REMARK 3 INTENSITY OF THE DIAGONAL PEAK AND THAT OF THE CROSS PEAK OF REMARK 3 THE 3D HNHA EXPERIMENT. THE 3D STRUCTURE WAS CALCULATED WITH REMARK 3 THE PROGRAM DYANA; THE FINAL DYANA FAMILY WAS FORMED BY THE 36 REMARK 3 CONFORMERS WITH THE LOWEST TARGET FUNCTION. REFINEMENT WAS REMARK 3 PERFORMED THROUGH RESTRAINED ENERGY MINIMIZATION WITH THE REMARK 3 SANDER MODULE OF THE PROGRAM AMBER. NOESY CROSS PEAKS WERE REMARK 3 BACK -CALCULATED ON THE FINAL STRUCTURE WITH THE PROGRAM CORMA. REMARK 4 REMARK 4 1DSW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-FEB-00. REMARK 100 THE RCSB ID CODE IS RCSB010336. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.00 REMARK 210 PH : 5.00 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : ATMOSPHERIC ATM REMARK 210 SAMPLE CONTENTS : 2MM M4SOD FULLY ENRICHED IN REMARK 210 15N; 20MM PHOSPHATE BUFFER PH REMARK 210 5.0; 90% H2O, 10% D2O. THE REMARK 210 PROTEIN WAS REDUCED WITH REMARK 210 SODIUM ISOASCORBATE UNDER REMARK 210 UNAEROBIC CONDITIONS. REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 15N NOESY-HSQC, 3D HNHA, REMARK 210 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.1, CALIBA 1.5, REMARK 210 DYANA 1.4, CORMA REMARK 210 METHOD USED : THE NMR STRUCTURE CALCULATION REMARK 210 PROGRAM USED DYANA THAT USES REMARK 210 SIMULATED ANNEALING COMBINED REMARK 210 WITH MOLECULAR DYNAMICS IN REMARK 210 TORSION ANGLE SPACE (TORSION REMARK 210 ANGLE DYNAMICS) REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 24 -169.37 -174.91 REMARK 500 GLU A 50 -77.11 -163.69 REMARK 500 GLU A 51 -44.96 62.20 REMARK 500 ALA A 55 -50.48 -120.56 REMARK 500 THR A 58 -72.16 -79.06 REMARK 500 SER A 59 43.48 -100.28 REMARK 500 PRO A 62 -175.24 -65.14 REMARK 500 LEU A 67 -80.72 -144.16 REMARK 500 LYS A 75 -53.59 -146.35 REMARK 500 VAL A 81 -49.87 171.44 REMARK 500 SER A 98 95.23 -166.31 REMARK 500 ASP A 109 -67.48 -23.31 REMARK 500 SER A 111 66.85 33.55 REMARK 500 ARG A 115 142.67 -35.83 REMARK 500 ARG A 143 70.72 52.99 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 HIS A 43 0.11 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 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: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ALA A 1 122.0 ALPHA-CARBON 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 CU A 154 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 46 ND1 REMARK 620 2 HIS A 48 NE2 151.2 REMARK 620 3 HIS A 120 NE2 81.4 110.4 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 155 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 63 ND1 REMARK 620 2 HIS A 71 ND1 97.6 REMARK 620 3 HIS A 80 ND1 104.8 118.2 REMARK 620 4 ASP A 83 OD1 85.7 121.8 116.8 REMARK 620 5 ASP A 83 OD2 150.7 91.9 94.8 65.9 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 155 DBREF 1DSW A 1 153 UNP P00441 SODC_HUMAN 2 154 SEQRES 1 A 153 ALA THR LYS ALA VAL ALA VAL LEU LYS GLY ASP GLY PRO SEQRES 2 A 153 VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SER ASN SEQRES 3 A 153 GLY PRO VAL LYS VAL TRP GLY SER ILE LYS GLY LEU THR SEQRES 4 A 153 GLU GLY LEU HIS GLY PHE HIS VAL HIS GLU GLU GLU ASP SEQRES 5 A 153 ASN THR ALA GLY CYS THR SER ALA GLY PRO HIS PHE ASN SEQRES 6 A 153 PRO LEU SER ARG LYS HIS GLY GLY PRO LYS ASP GLU GLU SEQRES 7 A 153 ARG HIS VAL GLY ASP LEU GLY ASN VAL THR ALA ASP LYS SEQRES 8 A 153 ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER VAL ILE SEQRES 9 A 153 SER LEU SER GLY ASP HIS SER ILE ILE GLY ARG THR LEU SEQRES 10 A 153 VAL VAL HIS GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY SEQRES 11 A 153 ASN GLU GLU SER THR LYS THR GLY ASN ALA GLY SER ARG SEQRES 12 A 153 LEU ALA CYS GLY LYS ILE GLY LYS ALA GLN HET CU A 154 1 HET ZN A 155 1 HETNAM CU COPPER (II) ION HETNAM ZN ZINC ION FORMUL 2 CU CU 2+ FORMUL 3 ZN ZN 2+ HELIX 1 1 ASN A 131 GLY A 138 1 8 SHEET 1 A 5 VAL A 94 ASP A 101 0 SHEET 2 A 5 VAL A 29 LYS A 36 -1 N VAL A 29 O ASP A 101 SHEET 3 A 5 GLN A 15 GLN A 22 -1 O GLN A 15 N LYS A 36 SHEET 4 A 5 LYS A 3 LYS A 9 -1 O ALA A 4 N PHE A 20 SHEET 5 A 5 ILE A 149 LYS A 151 -1 N GLY A 150 O VAL A 5 SHEET 1 B 4 ASP A 83 ALA A 89 0 SHEET 2 B 4 GLY A 41 HIS A 48 -1 N GLY A 41 O ALA A 89 SHEET 3 B 4 THR A 116 VAL A 119 -1 O THR A 116 N HIS A 48 SHEET 4 B 4 ALA A 145 CYS A 146 -1 O ALA A 145 N VAL A 119 SSBOND *** CYS A 57 CYS A 146 1555 1555 2.05 LINK ND1 HIS A 46 CU CU A 154 1555 1555 2.13 LINK NE2 HIS A 48 CU CU A 154 1555 1555 2.01 LINK ND1 HIS A 63 ZN ZN A 155 1555 1555 2.10 LINK ND1 HIS A 71 ZN ZN A 155 1555 1555 2.10 LINK ND1 HIS A 80 ZN ZN A 155 1555 1555 2.14 LINK OD1 ASP A 83 ZN ZN A 155 1555 1555 2.03 LINK OD2 ASP A 83 ZN ZN A 155 1555 1555 1.99 LINK NE2 HIS A 120 CU CU A 154 1555 1555 2.18 SITE *** AC1 5 HIS A 46 HIS A 48 HIS A 63 VAL A 118 SITE *** AC1 5 HIS A 120 SITE *** AC2 4 HIS A 63 HIS A 71 HIS A 80 ASP A 83 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 46 HIS HD1 : A 46 HIS ND1 : A 154 CUCU :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 154 CUCU :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 155 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 155 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 155 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 154 CUCU :(H bumps) USER MOD Set 1.1: A 131 ASN : amide:sc= -0.157 X(o=-0.31,f=0) USER MOD Set 1.2: A 139 ASN : amide:sc= -0.151 X(o=-0.31,f=-0.033) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.136 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 53 ASN : amide:sc= 1.2 K(o=1.2,f=-0.093) USER MOD Set 3.2: A 148 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.33) USER MOD Set 4.1: A 22 GLN : amide:sc= 1.59 K(o=1.5,f=-4.9!) USER MOD Set 4.2: A 105 SER OG : rot 180:sc= -0.0975 USER MOD Single : A 1 ALA N :NH3+ -175:sc= 1.19 (180deg=1.05) USER MOD Single : A 2 THR OG1 : rot 75:sc= 0.927 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0.575 (180deg=0.57) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0.88 (180deg=0.727) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00724 X(o=-0.0072,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.08) USER MOD Single : A 34 SER OG : rot 30:sc= 0.03 USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00863) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 43 HIS : +bothHN:sc= -0.81 K(o=-0.81,f=-9.4!) USER MOD Single : A 54 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 65 ASN : amide:sc= -0.439 K(o=-0.44,f=-3.3!) USER MOD Single : A 68 SER OG : rot 27:sc= 0.999 USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 0.747 (180deg=-1.16!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 28:sc= 1.13 USER MOD Single : A 102 SER OG : rot 180:sc=0.000356 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00564 USER MOD Single : A 110 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5!) USER MOD Single : A 111 SER OG : rot -55:sc= 0.406 USER MOD Single : A 116 THR OG1 : rot -71:sc= 0.814 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot -33:sc= 2.31 USER MOD Single : A 135 THR OG1 : rot -8:sc= 1.17 USER MOD Single : A 136 LYS NZ :NH3+ -165:sc= 0.505 (180deg=0.465!) USER MOD Single : A 137 THR OG1 : rot -24:sc= 0.405 USER MOD Single : A 142 SER OG : rot 180:sc= 0.00258 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.085 15.392 11.788 1.00 0.00 N ATOM 2 CA ALA A 1 -2.074 16.346 11.328 1.00 0.00 C ATOM 3 C ALA A 1 -1.024 15.537 10.593 1.00 0.00 C ATOM 4 O ALA A 1 -1.382 14.641 9.834 1.00 0.00 O ATOM 5 CB ALA A 1 -2.655 17.436 10.430 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.874 15.907 12.227 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.438 14.843 10.978 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.662 14.747 12.486 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.649 16.876 12.181 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.860 18.114 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.107 16.979 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.414 17.994 10.979 1.00 0.00 H new ATOM 13 N THR A 2 0.238 15.837 10.873 1.00 0.00 N ATOM 14 CA THR A 2 1.404 15.089 10.479 1.00 0.00 C ATOM 15 C THR A 2 1.216 13.565 10.489 1.00 0.00 C ATOM 16 O THR A 2 1.701 12.936 9.553 1.00 0.00 O ATOM 17 CB THR A 2 2.585 15.551 11.357 1.00 0.00 C ATOM 18 OG1 THR A 2 3.763 14.858 11.021 1.00 0.00 O ATOM 19 CG2 THR A 2 2.335 15.421 12.867 1.00 0.00 C ATOM 0 H THR A 2 0.480 16.665 11.417 1.00 0.00 H new ATOM 0 HA THR A 2 1.609 15.303 9.430 1.00 0.00 H new ATOM 0 HB THR A 2 2.696 16.614 11.145 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.118 15.206 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.213 15.767 13.412 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.473 16.027 13.147 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.141 14.377 13.115 1.00 0.00 H new ATOM 27 N LYS A 3 0.557 12.960 11.495 1.00 0.00 N ATOM 28 CA LYS A 3 0.598 11.509 11.680 1.00 0.00 C ATOM 29 C LYS A 3 -0.706 10.744 11.466 1.00 0.00 C ATOM 30 O LYS A 3 -1.784 11.136 11.927 1.00 0.00 O ATOM 31 CB LYS A 3 1.200 11.163 13.046 1.00 0.00 C ATOM 32 CG LYS A 3 2.693 11.470 13.021 1.00 0.00 C ATOM 33 CD LYS A 3 3.297 11.605 14.424 1.00 0.00 C ATOM 34 CE LYS A 3 4.756 11.935 14.119 1.00 0.00 C ATOM 35 NZ LYS A 3 5.658 12.136 15.259 1.00 0.00 N ATOM 0 H LYS A 3 -0.006 13.456 12.186 1.00 0.00 H new ATOM 0 HA LYS A 3 1.235 11.164 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.710 11.740 13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.036 10.110 13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.213 10.678 12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.860 12.395 12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.814 12.394 15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.200 10.684 14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.162 11.130 13.507 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.776 12.839 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.624 12.302 14.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.342 12.959 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.648 11.289 15.863 1.00 0.00 H new ATOM 49 N ALA A 4 -0.554 9.571 10.843 1.00 0.00 N ATOM 50 CA ALA A 4 -1.568 8.539 10.713 1.00 0.00 C ATOM 51 C ALA A 4 -0.887 7.180 10.849 1.00 0.00 C ATOM 52 O ALA A 4 0.337 7.097 10.740 1.00 0.00 O ATOM 53 CB ALA A 4 -2.294 8.662 9.375 1.00 0.00 C ATOM 0 H ALA A 4 0.325 9.310 10.397 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.318 8.651 11.496 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.049 7.880 9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.775 9.638 9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.577 8.556 8.561 1.00 0.00 H new ATOM 59 N VAL A 5 -1.672 6.129 11.087 1.00 0.00 N ATOM 60 CA VAL A 5 -1.234 4.763 11.272 1.00 0.00 C ATOM 61 C VAL A 5 -2.174 3.881 10.447 1.00 0.00 C ATOM 62 O VAL A 5 -3.336 4.242 10.275 1.00 0.00 O ATOM 63 CB VAL A 5 -1.316 4.475 12.784 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.718 3.037 13.108 1.00 0.00 C ATOM 65 CG2 VAL A 5 0.012 4.829 13.457 1.00 0.00 C ATOM 0 H VAL A 5 -2.685 6.223 11.158 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.213 4.572 10.942 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.110 5.107 13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.756 2.905 14.189 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.700 2.829 12.682 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.986 2.350 12.684 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.055 4.622 14.525 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.812 4.230 13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.226 5.887 13.305 1.00 0.00 H new ATOM 75 N ALA A 6 -1.703 2.733 9.952 1.00 0.00 N ATOM 76 CA ALA A 6 -2.560 1.717 9.353 1.00 0.00 C ATOM 77 C ALA A 6 -2.209 0.351 9.935 1.00 0.00 C ATOM 78 O ALA A 6 -1.067 -0.098 9.825 1.00 0.00 O ATOM 79 CB ALA A 6 -2.451 1.712 7.828 1.00 0.00 C ATOM 0 H ALA A 6 -0.714 2.485 9.957 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.597 1.952 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.104 0.941 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.750 2.685 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.421 1.506 7.538 1.00 0.00 H new ATOM 85 N VAL A 7 -3.202 -0.294 10.552 1.00 0.00 N ATOM 86 CA VAL A 7 -3.107 -1.643 11.083 1.00 0.00 C ATOM 87 C VAL A 7 -3.477 -2.628 9.973 1.00 0.00 C ATOM 88 O VAL A 7 -4.645 -2.955 9.778 1.00 0.00 O ATOM 89 CB VAL A 7 -3.982 -1.796 12.345 1.00 0.00 C ATOM 90 CG1 VAL A 7 -3.282 -1.137 13.540 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.396 -1.202 12.225 1.00 0.00 C ATOM 0 H VAL A 7 -4.120 0.127 10.697 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.087 -1.859 11.402 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.104 -2.870 12.482 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.902 -1.246 14.430 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.318 -1.618 13.708 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.128 -0.078 13.333 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.936 -1.357 13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.326 -0.134 12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.929 -1.694 11.412 1.00 0.00 H new ATOM 101 N LEU A 8 -2.479 -3.090 9.223 1.00 0.00 N ATOM 102 CA LEU A 8 -2.668 -4.136 8.236 1.00 0.00 C ATOM 103 C LEU A 8 -2.923 -5.451 8.971 1.00 0.00 C ATOM 104 O LEU A 8 -2.187 -5.786 9.897 1.00 0.00 O ATOM 105 CB LEU A 8 -1.433 -4.260 7.335 1.00 0.00 C ATOM 106 CG LEU A 8 -0.961 -2.935 6.722 1.00 0.00 C ATOM 107 CD1 LEU A 8 0.206 -3.224 5.772 1.00 0.00 C ATOM 108 CD2 LEU A 8 -2.062 -2.193 5.958 1.00 0.00 C ATOM 0 H LEU A 8 -1.521 -2.747 9.286 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.519 -3.892 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.616 -4.689 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.654 -4.961 6.530 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.658 -2.286 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.553 -2.291 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.022 -3.687 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.125 -3.900 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.660 -1.265 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.425 -2.820 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.885 -1.965 6.635 1.00 0.00 H new ATOM 120 N LYS A 9 -3.940 -6.206 8.564 1.00 0.00 N ATOM 121 CA LYS A 9 -4.238 -7.525 9.091 1.00 0.00 C ATOM 122 C LYS A 9 -5.071 -8.264 8.046 1.00 0.00 C ATOM 123 O LYS A 9 -5.600 -7.652 7.122 1.00 0.00 O ATOM 124 CB LYS A 9 -4.978 -7.383 10.433 1.00 0.00 C ATOM 125 CG LYS A 9 -5.328 -8.742 11.046 1.00 0.00 C ATOM 126 CD LYS A 9 -5.937 -8.627 12.443 1.00 0.00 C ATOM 127 CE LYS A 9 -6.237 -10.029 13.001 1.00 0.00 C ATOM 128 NZ LYS A 9 -7.078 -10.860 12.099 1.00 0.00 N ATOM 0 H LYS A 9 -4.593 -5.906 7.840 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.330 -8.097 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.358 -6.820 11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.892 -6.807 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.029 -9.260 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.428 -9.354 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.250 -8.101 13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.854 -8.039 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.296 -10.547 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.740 -9.928 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.298 -11.764 12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.962 -10.356 11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.563 -11.042 11.214 1.00 0.00 H new ATOM 142 N GLY A 10 -5.189 -9.579 8.186 1.00 0.00 N ATOM 143 CA GLY A 10 -6.125 -10.369 7.416 1.00 0.00 C ATOM 144 C GLY A 10 -6.532 -11.598 8.220 1.00 0.00 C ATOM 145 O GLY A 10 -6.472 -11.591 9.461 1.00 0.00 O ATOM 0 H GLY A 10 -4.631 -10.125 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.005 -9.774 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.672 -10.672 6.472 1.00 0.00 H new ATOM 149 N ASP A 11 -6.924 -12.631 7.474 1.00 0.00 N ATOM 150 CA ASP A 11 -7.191 -13.976 7.955 1.00 0.00 C ATOM 151 C ASP A 11 -5.860 -14.631 8.308 1.00 0.00 C ATOM 152 O ASP A 11 -5.696 -15.209 9.380 1.00 0.00 O ATOM 153 CB ASP A 11 -7.889 -14.787 6.849 1.00 0.00 C ATOM 154 CG ASP A 11 -9.292 -14.301 6.506 1.00 0.00 C ATOM 155 OD1 ASP A 11 -9.818 -13.455 7.261 1.00 0.00 O ATOM 156 OD2 ASP A 11 -9.807 -14.783 5.476 1.00 0.00 O ATOM 0 H ASP A 11 -7.070 -12.542 6.468 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.837 -13.943 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.276 -14.754 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.944 -15.830 7.160 1.00 0.00 H new ATOM 161 N GLY A 12 -4.904 -14.538 7.378 1.00 0.00 N ATOM 162 CA GLY A 12 -3.565 -15.060 7.558 1.00 0.00 C ATOM 163 C GLY A 12 -2.848 -14.369 8.721 1.00 0.00 C ATOM 164 O GLY A 12 -3.275 -13.312 9.185 1.00 0.00 O ATOM 0 H GLY A 12 -5.050 -14.091 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.613 -16.133 7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.992 -14.921 6.641 1.00 0.00 H new ATOM 168 N PRO A 13 -1.724 -14.942 9.176 1.00 0.00 N ATOM 169 CA PRO A 13 -0.938 -14.407 10.277 1.00 0.00 C ATOM 170 C PRO A 13 -0.245 -13.091 9.906 1.00 0.00 C ATOM 171 O PRO A 13 0.213 -12.380 10.797 1.00 0.00 O ATOM 172 CB PRO A 13 0.074 -15.506 10.614 1.00 0.00 C ATOM 173 CG PRO A 13 0.275 -16.220 9.277 1.00 0.00 C ATOM 174 CD PRO A 13 -1.111 -16.145 8.635 1.00 0.00 C ATOM 0 HA PRO A 13 -1.567 -14.158 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.008 -15.091 10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.307 -16.183 11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.030 -15.726 8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.601 -17.251 9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.038 -16.094 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.703 -17.029 8.874 1.00 0.00 H new ATOM 182 N VAL A 14 -0.166 -12.770 8.607 1.00 0.00 N ATOM 183 CA VAL A 14 0.345 -11.508 8.104 1.00 0.00 C ATOM 184 C VAL A 14 -0.409 -10.371 8.792 1.00 0.00 C ATOM 185 O VAL A 14 -1.622 -10.233 8.624 1.00 0.00 O ATOM 186 CB VAL A 14 0.154 -11.425 6.576 1.00 0.00 C ATOM 187 CG1 VAL A 14 0.944 -10.237 6.014 1.00 0.00 C ATOM 188 CG2 VAL A 14 0.614 -12.679 5.829 1.00 0.00 C ATOM 0 H VAL A 14 -0.466 -13.404 7.866 1.00 0.00 H new ATOM 0 HA VAL A 14 1.411 -11.429 8.317 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.919 -11.313 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.804 -10.185 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.587 -9.314 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.003 -10.366 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.449 -12.547 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.675 -12.844 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.046 -13.541 6.180 1.00 0.00 H new ATOM 198 N GLN A 15 0.304 -9.540 9.548 1.00 0.00 N ATOM 199 CA GLN A 15 -0.247 -8.334 10.126 1.00 0.00 C ATOM 200 C GLN A 15 0.880 -7.323 10.119 1.00 0.00 C ATOM 201 O GLN A 15 2.040 -7.727 10.102 1.00 0.00 O ATOM 202 CB GLN A 15 -0.789 -8.600 11.536 1.00 0.00 C ATOM 203 CG GLN A 15 0.288 -9.136 12.490 1.00 0.00 C ATOM 204 CD GLN A 15 -0.279 -9.383 13.883 1.00 0.00 C ATOM 205 OE1 GLN A 15 -0.822 -8.479 14.509 1.00 0.00 O ATOM 206 NE2 GLN A 15 -0.158 -10.606 14.392 1.00 0.00 N ATOM 0 H GLN A 15 1.287 -9.693 9.774 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.099 -7.960 9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.203 -7.677 11.942 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.607 -9.318 11.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.699 -10.064 12.093 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.110 -8.423 12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.298 -11.341 13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.521 -10.809 15.323 1.00 0.00 H new ATOM 215 N GLY A 16 0.575 -6.033 10.099 1.00 0.00 N ATOM 216 CA GLY A 16 1.612 -5.031 10.046 1.00 0.00 C ATOM 217 C GLY A 16 1.107 -3.698 10.544 1.00 0.00 C ATOM 218 O GLY A 16 -0.085 -3.412 10.467 1.00 0.00 O ATOM 0 H GLY A 16 -0.376 -5.665 10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.461 -5.350 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.970 -4.928 9.022 1.00 0.00 H new ATOM 222 N ILE A 17 2.027 -2.892 11.060 1.00 0.00 N ATOM 223 CA ILE A 17 1.754 -1.557 11.524 1.00 0.00 C ATOM 224 C ILE A 17 2.520 -0.636 10.584 1.00 0.00 C ATOM 225 O ILE A 17 3.753 -0.634 10.599 1.00 0.00 O ATOM 226 CB ILE A 17 2.182 -1.414 12.995 1.00 0.00 C ATOM 227 CG1 ILE A 17 1.419 -2.390 13.911 1.00 0.00 C ATOM 228 CG2 ILE A 17 1.894 0.024 13.436 1.00 0.00 C ATOM 229 CD1 ILE A 17 2.028 -3.792 14.057 1.00 0.00 C ATOM 0 H ILE A 17 3.004 -3.165 11.166 1.00 0.00 H new ATOM 0 HA ILE A 17 0.693 -1.306 11.506 1.00 0.00 H new ATOM 0 HB ILE A 17 3.243 -1.649 13.076 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.344 -1.943 14.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.403 -2.495 13.531 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.189 0.151 14.478 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.459 0.716 12.812 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.829 0.230 13.333 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.407 -4.391 14.724 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.077 -4.271 13.079 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.033 -3.711 14.472 1.00 0.00 H new ATOM 241 N ILE A 18 1.794 0.107 9.745 1.00 0.00 N ATOM 242 CA ILE A 18 2.358 1.193 8.957 1.00 0.00 C ATOM 243 C ILE A 18 2.128 2.486 9.735 1.00 0.00 C ATOM 244 O ILE A 18 1.157 2.603 10.482 1.00 0.00 O ATOM 245 CB ILE A 18 1.747 1.252 7.545 1.00 0.00 C ATOM 246 CG1 ILE A 18 1.702 -0.113 6.847 1.00 0.00 C ATOM 247 CG2 ILE A 18 2.503 2.249 6.651 1.00 0.00 C ATOM 248 CD1 ILE A 18 3.034 -0.871 6.761 1.00 0.00 C ATOM 0 H ILE A 18 0.795 -0.033 9.596 1.00 0.00 H new ATOM 0 HA ILE A 18 3.425 1.034 8.804 1.00 0.00 H new ATOM 0 HB ILE A 18 0.720 1.587 7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.982 -0.742 7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.323 0.031 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.048 2.268 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.453 3.244 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.546 1.943 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.880 -1.820 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.758 -0.273 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.411 -1.059 7.766 1.00 0.00 H new ATOM 260 N ASN A 19 3.034 3.443 9.566 1.00 0.00 N ATOM 261 CA ASN A 19 3.065 4.741 10.208 1.00 0.00 C ATOM 262 C ASN A 19 3.382 5.736 9.105 1.00 0.00 C ATOM 263 O ASN A 19 4.197 5.436 8.230 1.00 0.00 O ATOM 264 CB ASN A 19 4.187 4.807 11.247 1.00 0.00 C ATOM 265 CG ASN A 19 4.031 3.798 12.377 1.00 0.00 C ATOM 266 OD1 ASN A 19 3.567 4.133 13.461 1.00 0.00 O ATOM 267 ND2 ASN A 19 4.452 2.557 12.145 1.00 0.00 N ATOM 0 H ASN A 19 3.821 3.317 8.929 1.00 0.00 H new ATOM 0 HA ASN A 19 2.120 4.944 10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.142 4.638 10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.221 5.811 11.670 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.393 1.853 12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.833 2.310 11.232 1.00 0.00 H new ATOM 274 N PHE A 20 2.743 6.901 9.160 1.00 0.00 N ATOM 275 CA PHE A 20 2.895 7.986 8.212 1.00 0.00 C ATOM 276 C PHE A 20 3.263 9.222 9.030 1.00 0.00 C ATOM 277 O PHE A 20 2.591 9.461 10.031 1.00 0.00 O ATOM 278 CB PHE A 20 1.553 8.209 7.498 1.00 0.00 C ATOM 279 CG PHE A 20 1.003 7.006 6.746 1.00 0.00 C ATOM 280 CD1 PHE A 20 0.337 5.973 7.435 1.00 0.00 C ATOM 281 CD2 PHE A 20 1.164 6.912 5.352 1.00 0.00 C ATOM 282 CE1 PHE A 20 -0.053 4.806 6.758 1.00 0.00 C ATOM 283 CE2 PHE A 20 0.776 5.745 4.672 1.00 0.00 C ATOM 284 CZ PHE A 20 0.193 4.681 5.380 1.00 0.00 C ATOM 0 H PHE A 20 2.077 7.118 9.902 1.00 0.00 H new ATOM 0 HA PHE A 20 3.657 7.773 7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.816 8.521 8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.668 9.034 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.125 6.079 8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.587 7.740 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.541 4.006 7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.926 5.666 3.605 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.066 3.767 4.866 1.00 0.00 H new ATOM 294 N GLU A 21 4.286 9.988 8.631 1.00 0.00 N ATOM 295 CA GLU A 21 4.599 11.300 9.201 1.00 0.00 C ATOM 296 C GLU A 21 4.794 12.289 8.047 1.00 0.00 C ATOM 297 O GLU A 21 5.753 12.147 7.291 1.00 0.00 O ATOM 298 CB GLU A 21 5.855 11.218 10.091 1.00 0.00 C ATOM 299 CG GLU A 21 6.107 12.516 10.880 1.00 0.00 C ATOM 300 CD GLU A 21 7.349 12.470 11.779 1.00 0.00 C ATOM 301 OE1 GLU A 21 8.451 12.583 11.201 1.00 0.00 O ATOM 302 OE2 GLU A 21 7.186 12.359 13.022 1.00 0.00 O ATOM 0 H GLU A 21 4.929 9.707 7.891 1.00 0.00 H new ATOM 0 HA GLU A 21 3.781 11.641 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.748 10.388 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.723 11.001 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.211 13.342 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.233 12.730 11.496 1.00 0.00 H new ATOM 309 N GLN A 22 3.915 13.287 7.894 1.00 0.00 N ATOM 310 CA GLN A 22 4.133 14.374 6.947 1.00 0.00 C ATOM 311 C GLN A 22 4.677 15.539 7.762 1.00 0.00 C ATOM 312 O GLN A 22 3.957 16.112 8.577 1.00 0.00 O ATOM 313 CB GLN A 22 2.835 14.715 6.202 1.00 0.00 C ATOM 314 CG GLN A 22 3.181 15.393 4.868 1.00 0.00 C ATOM 315 CD GLN A 22 1.955 15.845 4.085 1.00 0.00 C ATOM 316 OE1 GLN A 22 0.815 15.577 4.464 1.00 0.00 O ATOM 317 NE2 GLN A 22 2.191 16.541 2.981 1.00 0.00 N ATOM 0 H GLN A 22 3.044 13.359 8.419 1.00 0.00 H new ATOM 0 HA GLN A 22 4.845 14.104 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.255 13.809 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.216 15.375 6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.818 16.256 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.759 14.701 4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.151 16.743 2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.413 16.875 2.412 1.00 0.00 H new ATOM 326 N LYS A 23 5.957 15.874 7.599 1.00 0.00 N ATOM 327 CA LYS A 23 6.613 16.880 8.431 1.00 0.00 C ATOM 328 C LYS A 23 6.367 18.299 7.894 1.00 0.00 C ATOM 329 O LYS A 23 7.186 19.187 8.120 1.00 0.00 O ATOM 330 CB LYS A 23 8.115 16.571 8.503 1.00 0.00 C ATOM 331 CG LYS A 23 8.409 15.201 9.135 1.00 0.00 C ATOM 332 CD LYS A 23 9.900 14.843 9.067 1.00 0.00 C ATOM 333 CE LYS A 23 10.782 15.892 9.762 1.00 0.00 C ATOM 334 NZ LYS A 23 12.197 15.474 9.819 1.00 0.00 N ATOM 0 H LYS A 23 6.564 15.459 6.892 1.00 0.00 H new ATOM 0 HA LYS A 23 6.188 16.842 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.537 16.601 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.614 17.348 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.084 15.205 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.828 14.434 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.060 13.871 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.202 14.750 8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.705 16.840 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.413 16.063 10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.757 16.209 10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.275 14.582 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.557 15.335 8.853 1.00 0.00 H new ATOM 348 N GLU A 24 5.264 18.506 7.168 1.00 0.00 N ATOM 349 CA GLU A 24 4.910 19.722 6.451 1.00 0.00 C ATOM 350 C GLU A 24 3.496 19.477 5.897 1.00 0.00 C ATOM 351 O GLU A 24 2.865 18.480 6.260 1.00 0.00 O ATOM 352 CB GLU A 24 5.962 20.006 5.356 1.00 0.00 C ATOM 353 CG GLU A 24 6.094 21.480 4.933 1.00 0.00 C ATOM 354 CD GLU A 24 5.533 21.742 3.544 1.00 0.00 C ATOM 355 OE1 GLU A 24 6.269 21.512 2.566 1.00 0.00 O ATOM 356 OE2 GLU A 24 4.333 22.092 3.487 1.00 0.00 O ATOM 0 H GLU A 24 4.555 17.781 7.063 1.00 0.00 H new ATOM 0 HA GLU A 24 4.904 20.610 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.933 19.659 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.714 19.414 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.574 22.109 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.145 21.768 4.957 1.00 0.00 H new ATOM 363 N SER A 25 3.008 20.347 5.015 1.00 0.00 N ATOM 364 CA SER A 25 1.678 20.307 4.430 1.00 0.00 C ATOM 365 C SER A 25 1.757 19.783 3.001 1.00 0.00 C ATOM 366 O SER A 25 0.957 18.945 2.589 1.00 0.00 O ATOM 367 CB SER A 25 1.082 21.717 4.474 1.00 0.00 C ATOM 368 OG SER A 25 0.989 22.145 5.820 1.00 0.00 O ATOM 0 H SER A 25 3.559 21.135 4.675 1.00 0.00 H new ATOM 0 HA SER A 25 1.034 19.633 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.706 22.406 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.096 21.722 4.010 1.00 0.00 H new ATOM 0 HG SER A 25 0.609 23.048 5.851 1.00 0.00 H new ATOM 374 N ASN A 26 2.745 20.289 2.267 1.00 0.00 N ATOM 375 CA ASN A 26 3.084 19.896 0.909 1.00 0.00 C ATOM 376 C ASN A 26 4.374 19.074 0.859 1.00 0.00 C ATOM 377 O ASN A 26 4.836 18.733 -0.228 1.00 0.00 O ATOM 378 CB ASN A 26 3.223 21.137 0.016 1.00 0.00 C ATOM 379 CG ASN A 26 1.900 21.870 -0.166 1.00 0.00 C ATOM 380 OD1 ASN A 26 1.066 21.473 -0.972 1.00 0.00 O ATOM 381 ND2 ASN A 26 1.694 22.960 0.568 1.00 0.00 N ATOM 0 H ASN A 26 3.359 21.021 2.625 1.00 0.00 H new ATOM 0 HA ASN A 26 2.273 19.269 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.955 21.816 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.608 20.839 -0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.826 23.486 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.404 23.270 1.232 1.00 0.00 H new ATOM 388 N GLY A 27 4.967 18.742 2.009 1.00 0.00 N ATOM 389 CA GLY A 27 6.210 17.988 2.029 1.00 0.00 C ATOM 390 C GLY A 27 5.903 16.514 1.805 1.00 0.00 C ATOM 391 O GLY A 27 4.744 16.109 1.926 1.00 0.00 O ATOM 0 H GLY A 27 4.604 18.985 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.884 18.354 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.718 18.125 2.984 1.00 0.00 H new ATOM 395 N PRO A 28 6.921 15.698 1.503 1.00 0.00 N ATOM 396 CA PRO A 28 6.736 14.273 1.335 1.00 0.00 C ATOM 397 C PRO A 28 6.230 13.644 2.635 1.00 0.00 C ATOM 398 O PRO A 28 6.389 14.195 3.726 1.00 0.00 O ATOM 399 CB PRO A 28 8.100 13.730 0.902 1.00 0.00 C ATOM 400 CG PRO A 28 9.085 14.735 1.499 1.00 0.00 C ATOM 401 CD PRO A 28 8.325 16.058 1.398 1.00 0.00 C ATOM 0 HA PRO A 28 5.981 14.033 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.272 12.723 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.186 13.679 -0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.336 14.491 2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.021 14.763 0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.617 16.742 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.533 16.561 0.454 1.00 0.00 H new ATOM 409 N VAL A 29 5.598 12.483 2.499 1.00 0.00 N ATOM 410 CA VAL A 29 5.006 11.716 3.556 1.00 0.00 C ATOM 411 C VAL A 29 6.008 10.609 3.822 1.00 0.00 C ATOM 412 O VAL A 29 6.215 9.765 2.951 1.00 0.00 O ATOM 413 CB VAL A 29 3.673 11.167 3.027 1.00 0.00 C ATOM 414 CG1 VAL A 29 3.161 10.045 3.924 1.00 0.00 C ATOM 415 CG2 VAL A 29 2.631 12.282 2.923 1.00 0.00 C ATOM 0 H VAL A 29 5.486 12.038 1.588 1.00 0.00 H new ATOM 0 HA VAL A 29 4.799 12.273 4.470 1.00 0.00 H new ATOM 0 HB VAL A 29 3.845 10.762 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.216 9.669 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.891 9.236 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.010 10.427 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.694 11.871 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.465 12.718 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.990 13.053 2.240 1.00 0.00 H new ATOM 425 N LYS A 30 6.626 10.609 5.003 1.00 0.00 N ATOM 426 CA LYS A 30 7.543 9.555 5.372 1.00 0.00 C ATOM 427 C LYS A 30 6.700 8.389 5.862 1.00 0.00 C ATOM 428 O LYS A 30 5.993 8.525 6.862 1.00 0.00 O ATOM 429 CB LYS A 30 8.561 10.048 6.407 1.00 0.00 C ATOM 430 CG LYS A 30 9.752 9.081 6.460 1.00 0.00 C ATOM 431 CD LYS A 30 10.895 9.658 7.300 1.00 0.00 C ATOM 432 CE LYS A 30 12.137 8.752 7.208 1.00 0.00 C ATOM 433 NZ LYS A 30 13.304 9.470 6.658 1.00 0.00 N ATOM 0 H LYS A 30 6.502 11.331 5.713 1.00 0.00 H new ATOM 0 HA LYS A 30 8.144 9.230 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.904 11.049 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.092 10.117 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.432 8.128 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.106 8.879 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.141 10.661 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.580 9.751 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.381 8.369 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.912 7.890 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.159 8.891 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.154 9.651 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.422 10.375 7.157 1.00 0.00 H new ATOM 447 N VAL A 31 6.737 7.275 5.126 1.00 0.00 N ATOM 448 CA VAL A 31 6.053 6.062 5.474 1.00 0.00 C ATOM 449 C VAL A 31 7.097 5.137 6.078 1.00 0.00 C ATOM 450 O VAL A 31 8.181 4.973 5.517 1.00 0.00 O ATOM 451 CB VAL A 31 5.381 5.458 4.233 1.00 0.00 C ATOM 452 CG1 VAL A 31 4.356 6.430 3.650 1.00 0.00 C ATOM 453 CG2 VAL A 31 6.333 5.017 3.119 1.00 0.00 C ATOM 0 H VAL A 31 7.261 7.207 4.253 1.00 0.00 H new ATOM 0 HA VAL A 31 5.253 6.235 6.194 1.00 0.00 H new ATOM 0 HB VAL A 31 4.904 4.550 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.890 5.984 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.591 6.644 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.854 7.357 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.757 4.605 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.908 5.875 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.013 4.256 3.502 1.00 0.00 H new ATOM 463 N TRP A 32 6.789 4.538 7.222 1.00 0.00 N ATOM 464 CA TRP A 32 7.615 3.474 7.759 1.00 0.00 C ATOM 465 C TRP A 32 6.700 2.450 8.393 1.00 0.00 C ATOM 466 O TRP A 32 5.586 2.782 8.788 1.00 0.00 O ATOM 467 CB TRP A 32 8.659 4.002 8.748 1.00 0.00 C ATOM 468 CG TRP A 32 8.142 4.459 10.077 1.00 0.00 C ATOM 469 CD1 TRP A 32 7.865 3.655 11.129 1.00 0.00 C ATOM 470 CD2 TRP A 32 7.868 5.816 10.530 1.00 0.00 C ATOM 471 NE1 TRP A 32 7.426 4.415 12.191 1.00 0.00 N ATOM 472 CE2 TRP A 32 7.419 5.759 11.883 1.00 0.00 C ATOM 473 CE3 TRP A 32 7.968 7.093 9.940 1.00 0.00 C ATOM 474 CZ2 TRP A 32 7.077 6.909 12.610 1.00 0.00 C ATOM 475 CZ3 TRP A 32 7.680 8.255 10.677 1.00 0.00 C ATOM 476 CH2 TRP A 32 7.219 8.166 12.003 1.00 0.00 C ATOM 0 H TRP A 32 5.976 4.773 7.791 1.00 0.00 H new ATOM 0 HA TRP A 32 8.186 3.009 6.955 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.396 3.217 8.919 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.183 4.835 8.280 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.972 2.580 11.135 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.142 4.031 13.092 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.270 7.180 8.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.710 6.828 13.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.814 9.225 10.221 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.975 9.063 12.553 1.00 0.00 H new ATOM 487 N GLY A 33 7.135 1.203 8.496 1.00 0.00 N ATOM 488 CA GLY A 33 6.258 0.200 9.046 1.00 0.00 C ATOM 489 C GLY A 33 6.944 -1.140 9.121 1.00 0.00 C ATOM 490 O GLY A 33 8.061 -1.301 8.636 1.00 0.00 O ATOM 0 H GLY A 33 8.059 0.876 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.934 0.502 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.362 0.119 8.431 1.00 0.00 H new ATOM 494 N SER A 34 6.244 -2.095 9.725 1.00 0.00 N ATOM 495 CA SER A 34 6.693 -3.460 9.852 1.00 0.00 C ATOM 496 C SER A 34 5.477 -4.330 9.574 1.00 0.00 C ATOM 497 O SER A 34 4.418 -4.097 10.157 1.00 0.00 O ATOM 498 CB SER A 34 7.297 -3.690 11.242 1.00 0.00 C ATOM 499 OG SER A 34 6.464 -3.164 12.259 1.00 0.00 O ATOM 0 H SER A 34 5.330 -1.929 10.146 1.00 0.00 H new ATOM 0 HA SER A 34 7.487 -3.708 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.443 -4.758 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.280 -3.222 11.296 1.00 0.00 H new ATOM 0 HG SER A 34 5.530 -3.194 11.965 1.00 0.00 H new ATOM 505 N ILE A 35 5.611 -5.278 8.649 1.00 0.00 N ATOM 506 CA ILE A 35 4.658 -6.333 8.391 1.00 0.00 C ATOM 507 C ILE A 35 5.346 -7.601 8.864 1.00 0.00 C ATOM 508 O ILE A 35 6.561 -7.721 8.729 1.00 0.00 O ATOM 509 CB ILE A 35 4.324 -6.395 6.897 1.00 0.00 C ATOM 510 CG1 ILE A 35 3.916 -5.026 6.315 1.00 0.00 C ATOM 511 CG2 ILE A 35 3.181 -7.394 6.702 1.00 0.00 C ATOM 512 CD1 ILE A 35 5.052 -4.129 5.801 1.00 0.00 C ATOM 0 H ILE A 35 6.426 -5.326 8.037 1.00 0.00 H new ATOM 0 HA ILE A 35 3.709 -6.179 8.905 1.00 0.00 H new ATOM 0 HB ILE A 35 5.222 -6.707 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.221 -5.199 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.371 -4.478 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.927 -7.454 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.492 -8.377 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.309 -7.064 7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.635 -3.197 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.740 -3.910 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.588 -4.642 5.002 1.00 0.00 H new ATOM 524 N LYS A 36 4.581 -8.517 9.444 1.00 0.00 N ATOM 525 CA LYS A 36 5.070 -9.671 10.153 1.00 0.00 C ATOM 526 C LYS A 36 4.142 -10.837 9.846 1.00 0.00 C ATOM 527 O LYS A 36 2.975 -10.816 10.233 1.00 0.00 O ATOM 528 CB LYS A 36 5.088 -9.320 11.648 1.00 0.00 C ATOM 529 CG LYS A 36 5.296 -10.526 12.571 1.00 0.00 C ATOM 530 CD LYS A 36 5.449 -10.030 14.017 1.00 0.00 C ATOM 531 CE LYS A 36 5.329 -11.166 15.042 1.00 0.00 C ATOM 532 NZ LYS A 36 6.349 -12.220 14.847 1.00 0.00 N ATOM 0 H LYS A 36 3.562 -8.465 9.427 1.00 0.00 H new ATOM 0 HA LYS A 36 6.079 -9.955 9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.881 -8.595 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.147 -8.835 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.450 -11.209 12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.183 -11.083 12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.418 -9.543 14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.688 -9.277 14.222 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.425 -10.755 16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.336 -11.610 14.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.245 -12.945 15.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.222 -12.657 13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.298 -11.800 14.907 1.00 0.00 H new ATOM 546 N GLY A 37 4.681 -11.834 9.147 1.00 0.00 N ATOM 547 CA GLY A 37 4.075 -13.150 8.978 1.00 0.00 C ATOM 548 C GLY A 37 3.823 -13.551 7.528 1.00 0.00 C ATOM 549 O GLY A 37 3.036 -14.465 7.292 1.00 0.00 O ATOM 0 H GLY A 37 5.578 -11.744 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.722 -13.896 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.128 -13.171 9.517 1.00 0.00 H new ATOM 553 N LEU A 38 4.469 -12.893 6.560 1.00 0.00 N ATOM 554 CA LEU A 38 4.380 -13.246 5.150 1.00 0.00 C ATOM 555 C LEU A 38 5.596 -14.104 4.787 1.00 0.00 C ATOM 556 O LEU A 38 6.449 -14.341 5.633 1.00 0.00 O ATOM 557 CB LEU A 38 4.213 -11.969 4.303 1.00 0.00 C ATOM 558 CG LEU A 38 4.912 -10.707 4.846 1.00 0.00 C ATOM 559 CD1 LEU A 38 6.431 -10.781 4.710 1.00 0.00 C ATOM 560 CD2 LEU A 38 4.416 -9.486 4.079 1.00 0.00 C ATOM 0 H LEU A 38 5.074 -12.092 6.741 1.00 0.00 H new ATOM 0 HA LEU A 38 3.498 -13.849 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.592 -12.168 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.148 -11.758 4.205 1.00 0.00 H new ATOM 0 HG LEU A 38 4.669 -10.632 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.877 -9.869 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.805 -11.640 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.697 -10.888 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.909 -8.592 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.646 -9.603 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.338 -9.389 4.207 1.00 0.00 H new ATOM 572 N THR A 39 5.694 -14.595 3.551 1.00 0.00 N ATOM 573 CA THR A 39 6.921 -15.251 3.108 1.00 0.00 C ATOM 574 C THR A 39 7.993 -14.184 2.858 1.00 0.00 C ATOM 575 O THR A 39 7.705 -12.989 2.892 1.00 0.00 O ATOM 576 CB THR A 39 6.671 -16.182 1.909 1.00 0.00 C ATOM 577 OG1 THR A 39 7.871 -16.856 1.588 1.00 0.00 O ATOM 578 CG2 THR A 39 6.151 -15.462 0.661 1.00 0.00 C ATOM 0 H THR A 39 4.953 -14.552 2.852 1.00 0.00 H new ATOM 0 HA THR A 39 7.293 -15.912 3.891 1.00 0.00 H new ATOM 0 HB THR A 39 5.889 -16.878 2.214 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.717 -17.452 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.000 -16.186 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.205 -14.972 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.878 -14.715 0.342 1.00 0.00 H new ATOM 586 N GLU A 40 9.226 -14.604 2.597 1.00 0.00 N ATOM 587 CA GLU A 40 10.355 -13.698 2.442 1.00 0.00 C ATOM 588 C GLU A 40 10.295 -12.956 1.099 1.00 0.00 C ATOM 589 O GLU A 40 9.286 -13.018 0.387 1.00 0.00 O ATOM 590 CB GLU A 40 11.663 -14.477 2.640 1.00 0.00 C ATOM 591 CG GLU A 40 11.938 -15.580 1.608 1.00 0.00 C ATOM 592 CD GLU A 40 13.338 -16.160 1.799 1.00 0.00 C ATOM 593 OE1 GLU A 40 13.587 -16.708 2.894 1.00 0.00 O ATOM 594 OE2 GLU A 40 14.150 -16.022 0.860 1.00 0.00 O ATOM 0 H GLU A 40 9.470 -15.588 2.487 1.00 0.00 H new ATOM 0 HA GLU A 40 10.310 -12.924 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.493 -13.770 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.651 -14.927 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.195 -16.371 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.841 -15.175 0.601 1.00 0.00 H new ATOM 601 N GLY A 41 11.367 -12.233 0.759 1.00 0.00 N ATOM 602 CA GLY A 41 11.570 -11.696 -0.575 1.00 0.00 C ATOM 603 C GLY A 41 10.611 -10.554 -0.861 1.00 0.00 C ATOM 604 O GLY A 41 10.082 -9.951 0.065 1.00 0.00 O ATOM 0 H GLY A 41 12.118 -12.007 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.597 -11.345 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.429 -12.486 -1.313 1.00 0.00 H new ATOM 608 N LEU A 42 10.429 -10.223 -2.137 1.00 0.00 N ATOM 609 CA LEU A 42 9.659 -9.080 -2.581 1.00 0.00 C ATOM 610 C LEU A 42 8.150 -9.326 -2.472 1.00 0.00 C ATOM 611 O LEU A 42 7.642 -10.356 -2.910 1.00 0.00 O ATOM 612 CB LEU A 42 10.078 -8.736 -4.012 1.00 0.00 C ATOM 613 CG LEU A 42 11.355 -7.888 -4.042 1.00 0.00 C ATOM 614 CD1 LEU A 42 12.526 -8.474 -3.251 1.00 0.00 C ATOM 615 CD2 LEU A 42 11.766 -7.648 -5.497 1.00 0.00 C ATOM 0 H LEU A 42 10.827 -10.762 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 42 9.868 -8.232 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.239 -9.655 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.271 -8.196 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 42 11.113 -6.949 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.386 -7.809 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.241 -8.580 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.786 -9.452 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.674 -7.045 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.951 -8.605 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.966 -7.123 -6.019 1.00 0.00 H new ATOM 627 N HIS A 43 7.447 -8.346 -1.902 1.00 0.00 N ATOM 628 CA HIS A 43 5.997 -8.305 -1.717 1.00 0.00 C ATOM 629 C HIS A 43 5.453 -7.041 -2.355 1.00 0.00 C ATOM 630 O HIS A 43 5.827 -5.955 -1.920 1.00 0.00 O ATOM 631 CB HIS A 43 5.648 -8.258 -0.222 1.00 0.00 C ATOM 632 CG HIS A 43 5.869 -9.581 0.438 1.00 0.00 C ATOM 633 ND1 HIS A 43 4.985 -10.634 0.387 1.00 0.00 N ATOM 634 CD2 HIS A 43 7.094 -10.067 0.785 1.00 0.00 C ATOM 635 CE1 HIS A 43 5.674 -11.752 0.676 1.00 0.00 C ATOM 636 NE2 HIS A 43 6.966 -11.438 0.869 1.00 0.00 N ATOM 0 H HIS A 43 7.903 -7.510 -1.536 1.00 0.00 H new ATOM 0 HA HIS A 43 5.564 -9.196 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.256 -7.499 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.607 -7.960 -0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.990 -10.577 0.170 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.991 -9.491 0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.255 -12.745 0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.722 -12.099 1.047 1.00 0.00 H new ATOM 645 N GLY A 44 4.566 -7.161 -3.345 1.00 0.00 N ATOM 646 CA GLY A 44 3.853 -6.031 -3.900 1.00 0.00 C ATOM 647 C GLY A 44 3.163 -5.249 -2.790 1.00 0.00 C ATOM 648 O GLY A 44 2.606 -5.838 -1.860 1.00 0.00 O ATOM 0 H GLY A 44 4.328 -8.053 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.546 -5.382 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.115 -6.377 -4.624 1.00 0.00 H new ATOM 652 N PHE A 45 3.214 -3.924 -2.885 1.00 0.00 N ATOM 653 CA PHE A 45 2.723 -3.031 -1.848 1.00 0.00 C ATOM 654 C PHE A 45 2.223 -1.729 -2.472 1.00 0.00 C ATOM 655 O PHE A 45 2.947 -1.083 -3.232 1.00 0.00 O ATOM 656 CB PHE A 45 3.852 -2.797 -0.837 1.00 0.00 C ATOM 657 CG PHE A 45 3.450 -2.090 0.443 1.00 0.00 C ATOM 658 CD1 PHE A 45 2.379 -2.581 1.215 1.00 0.00 C ATOM 659 CD2 PHE A 45 4.238 -1.033 0.938 1.00 0.00 C ATOM 660 CE1 PHE A 45 2.088 -2.008 2.464 1.00 0.00 C ATOM 661 CE2 PHE A 45 3.947 -0.462 2.188 1.00 0.00 C ATOM 662 CZ PHE A 45 2.877 -0.954 2.954 1.00 0.00 C ATOM 0 H PHE A 45 3.602 -3.438 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 45 1.876 -3.474 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.288 -3.762 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.635 -2.214 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.780 -3.400 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.068 -0.661 0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.258 -2.378 3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.546 0.356 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.661 -0.522 3.920 1.00 0.00 H new ATOM 672 N HIS A 46 0.958 -1.380 -2.213 1.00 0.00 N ATOM 673 CA HIS A 46 0.272 -0.259 -2.839 1.00 0.00 C ATOM 674 C HIS A 46 -0.953 0.174 -2.020 1.00 0.00 C ATOM 675 O HIS A 46 -1.405 -0.555 -1.134 1.00 0.00 O ATOM 676 CB HIS A 46 -0.156 -0.599 -4.286 1.00 0.00 C ATOM 677 CG HIS A 46 0.407 -1.880 -4.890 1.00 0.00 C ATOM 678 ND1 HIS A 46 -0.015 -3.219 -4.744 1.00 0.00 N ATOM 679 CD2 HIS A 46 1.508 -1.923 -5.686 1.00 0.00 C ATOM 680 CE1 HIS A 46 0.783 -3.986 -5.519 1.00 0.00 C ATOM 681 NE2 HIS A 46 1.730 -3.205 -6.033 1.00 0.00 N ATOM 0 H HIS A 46 0.375 -1.885 -1.546 1.00 0.00 H new ATOM 0 HA HIS A 46 0.979 0.570 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.244 -0.662 -4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.131 0.233 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.103 -1.074 -5.988 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.672 -5.046 -5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.509 -3.530 -6.606 1.00 0.00 H new ATOM 689 N VAL A 47 -1.510 1.342 -2.363 1.00 0.00 N ATOM 690 CA VAL A 47 -2.781 1.857 -1.844 1.00 0.00 C ATOM 691 C VAL A 47 -3.956 1.377 -2.717 1.00 0.00 C ATOM 692 O VAL A 47 -3.895 1.458 -3.945 1.00 0.00 O ATOM 693 CB VAL A 47 -2.706 3.396 -1.713 1.00 0.00 C ATOM 694 CG1 VAL A 47 -4.030 4.116 -2.005 1.00 0.00 C ATOM 695 CG2 VAL A 47 -2.232 3.799 -0.312 1.00 0.00 C ATOM 0 H VAL A 47 -1.073 1.975 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.963 1.460 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.990 3.709 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.892 5.191 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.346 3.897 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.793 3.772 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.186 4.886 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.930 3.416 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.242 3.382 -0.129 1.00 0.00 H new ATOM 705 N HIS A 48 -5.030 0.894 -2.078 1.00 0.00 N ATOM 706 CA HIS A 48 -6.284 0.470 -2.696 1.00 0.00 C ATOM 707 C HIS A 48 -7.419 1.360 -2.192 1.00 0.00 C ATOM 708 O HIS A 48 -7.274 2.072 -1.195 1.00 0.00 O ATOM 709 CB HIS A 48 -6.615 -1.002 -2.373 1.00 0.00 C ATOM 710 CG HIS A 48 -5.614 -2.018 -2.862 1.00 0.00 C ATOM 711 ND1 HIS A 48 -5.908 -3.099 -3.633 1.00 0.00 N ATOM 712 CD2 HIS A 48 -4.283 -2.016 -2.583 1.00 0.00 C ATOM 713 CE1 HIS A 48 -4.766 -3.729 -3.933 1.00 0.00 C ATOM 714 NE2 HIS A 48 -3.758 -3.089 -3.306 1.00 0.00 N ATOM 0 H HIS A 48 -5.044 0.785 -1.064 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.173 0.561 -3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.712 -1.105 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.587 -1.240 -2.804 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.841 -3.382 -3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.748 -1.332 -1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.669 -4.598 -4.567 1.00 0.00 H new ATOM 722 N GLU A 49 -8.554 1.291 -2.886 1.00 0.00 N ATOM 723 CA GLU A 49 -9.799 1.938 -2.517 1.00 0.00 C ATOM 724 C GLU A 49 -10.680 0.892 -1.818 1.00 0.00 C ATOM 725 O GLU A 49 -10.760 -0.254 -2.270 1.00 0.00 O ATOM 726 CB GLU A 49 -10.442 2.569 -3.767 1.00 0.00 C ATOM 727 CG GLU A 49 -10.211 1.775 -5.066 1.00 0.00 C ATOM 728 CD GLU A 49 -10.833 2.452 -6.279 1.00 0.00 C ATOM 729 OE1 GLU A 49 -10.500 3.639 -6.492 1.00 0.00 O ATOM 730 OE2 GLU A 49 -11.600 1.760 -6.981 1.00 0.00 O ATOM 0 H GLU A 49 -8.628 0.760 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.647 2.760 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.515 2.666 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.047 3.577 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.140 1.655 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.631 0.775 -4.957 1.00 0.00 H new ATOM 737 N GLU A 50 -11.269 1.266 -0.675 1.00 0.00 N ATOM 738 CA GLU A 50 -12.115 0.409 0.153 1.00 0.00 C ATOM 739 C GLU A 50 -12.894 1.321 1.107 1.00 0.00 C ATOM 740 O GLU A 50 -14.057 1.615 0.843 1.00 0.00 O ATOM 741 CB GLU A 50 -11.257 -0.666 0.853 1.00 0.00 C ATOM 742 CG GLU A 50 -11.963 -1.937 1.348 1.00 0.00 C ATOM 743 CD GLU A 50 -12.504 -1.793 2.763 1.00 0.00 C ATOM 744 OE1 GLU A 50 -13.379 -0.924 2.919 1.00 0.00 O ATOM 745 OE2 GLU A 50 -12.022 -2.527 3.660 1.00 0.00 O ATOM 0 H GLU A 50 -11.164 2.205 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.840 -0.152 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.470 -0.968 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.769 -0.200 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.783 -2.179 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.264 -2.773 1.313 1.00 0.00 H new ATOM 752 N GLU A 51 -12.240 1.815 2.167 1.00 0.00 N ATOM 753 CA GLU A 51 -12.795 2.670 3.213 1.00 0.00 C ATOM 754 C GLU A 51 -13.928 2.039 4.041 1.00 0.00 C ATOM 755 O GLU A 51 -13.906 2.173 5.268 1.00 0.00 O ATOM 756 CB GLU A 51 -13.163 4.068 2.691 1.00 0.00 C ATOM 757 CG GLU A 51 -11.916 4.832 2.217 1.00 0.00 C ATOM 758 CD GLU A 51 -12.202 6.302 1.929 1.00 0.00 C ATOM 759 OE1 GLU A 51 -12.853 6.934 2.788 1.00 0.00 O ATOM 760 OE2 GLU A 51 -11.733 6.772 0.870 1.00 0.00 O ATOM 0 H GLU A 51 -11.252 1.614 2.322 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.977 2.788 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.871 3.976 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.661 4.633 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.139 4.759 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.525 4.359 1.316 1.00 0.00 H new ATOM 767 N ASP A 52 -14.911 1.368 3.427 1.00 0.00 N ATOM 768 CA ASP A 52 -16.032 0.763 4.151 1.00 0.00 C ATOM 769 C ASP A 52 -15.603 -0.575 4.752 1.00 0.00 C ATOM 770 O ASP A 52 -16.144 -1.649 4.469 1.00 0.00 O ATOM 771 CB ASP A 52 -17.287 0.634 3.281 1.00 0.00 C ATOM 772 CG ASP A 52 -18.471 0.088 4.083 1.00 0.00 C ATOM 773 OD1 ASP A 52 -18.397 0.113 5.334 1.00 0.00 O ATOM 774 OD2 ASP A 52 -19.447 -0.338 3.431 1.00 0.00 O ATOM 0 H ASP A 52 -14.950 1.230 2.417 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.309 1.430 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.545 1.608 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.081 -0.027 2.439 1.00 0.00 H new ATOM 779 N ASN A 53 -14.618 -0.492 5.640 1.00 0.00 N ATOM 780 CA ASN A 53 -14.026 -1.629 6.304 1.00 0.00 C ATOM 781 C ASN A 53 -14.937 -1.981 7.478 1.00 0.00 C ATOM 782 O ASN A 53 -14.574 -1.798 8.643 1.00 0.00 O ATOM 783 CB ASN A 53 -12.615 -1.225 6.720 1.00 0.00 C ATOM 784 CG ASN A 53 -11.791 -2.421 7.156 1.00 0.00 C ATOM 785 OD1 ASN A 53 -11.455 -2.549 8.331 1.00 0.00 O ATOM 786 ND2 ASN A 53 -11.434 -3.276 6.205 1.00 0.00 N ATOM 0 H ASN A 53 -14.204 0.397 5.920 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.938 -2.516 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.119 -0.727 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.669 -0.504 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.855 -4.083 6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.739 -3.126 5.243 1.00 0.00 H new ATOM 793 N THR A 54 -16.150 -2.419 7.132 1.00 0.00 N ATOM 794 CA THR A 54 -17.290 -2.600 8.016 1.00 0.00 C ATOM 795 C THR A 54 -17.113 -3.817 8.914 1.00 0.00 C ATOM 796 O THR A 54 -17.399 -3.795 10.108 1.00 0.00 O ATOM 797 CB THR A 54 -18.577 -2.620 7.154 1.00 0.00 C ATOM 798 OG1 THR A 54 -19.272 -1.404 7.315 1.00 0.00 O ATOM 799 CG2 THR A 54 -19.541 -3.774 7.438 1.00 0.00 C ATOM 0 H THR A 54 -16.369 -2.670 6.168 1.00 0.00 H new ATOM 0 HA THR A 54 -17.374 -1.766 8.713 1.00 0.00 H new ATOM 0 HB THR A 54 -18.228 -2.765 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.013 -0.782 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 54 -20.407 -3.694 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.036 -4.723 7.258 1.00 0.00 H new ATOM 0 HG23 THR A 54 -19.867 -3.728 8.477 1.00 0.00 H new ATOM 807 N ALA A 55 -16.640 -4.883 8.286 1.00 0.00 N ATOM 808 CA ALA A 55 -16.431 -6.197 8.873 1.00 0.00 C ATOM 809 C ALA A 55 -14.959 -6.568 8.747 1.00 0.00 C ATOM 810 O ALA A 55 -14.320 -6.959 9.721 1.00 0.00 O ATOM 811 CB ALA A 55 -17.319 -7.214 8.153 1.00 0.00 C ATOM 0 H ALA A 55 -16.378 -4.852 7.301 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.699 -6.192 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -17.167 -8.202 8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -18.365 -6.926 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -17.059 -7.240 7.095 1.00 0.00 H new ATOM 817 N GLY A 56 -14.422 -6.440 7.534 1.00 0.00 N ATOM 818 CA GLY A 56 -13.039 -6.737 7.246 1.00 0.00 C ATOM 819 C GLY A 56 -12.776 -6.442 5.778 1.00 0.00 C ATOM 820 O GLY A 56 -13.695 -6.114 5.026 1.00 0.00 O ATOM 0 H GLY A 56 -14.950 -6.123 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.384 -6.136 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.822 -7.782 7.467 1.00 0.00 H new ATOM 824 N CYS A 57 -11.513 -6.579 5.383 1.00 0.00 N ATOM 825 CA CYS A 57 -11.025 -6.333 4.035 1.00 0.00 C ATOM 826 C CYS A 57 -11.485 -7.458 3.099 1.00 0.00 C ATOM 827 O CYS A 57 -10.690 -8.288 2.669 1.00 0.00 O ATOM 828 CB CYS A 57 -9.500 -6.257 4.130 1.00 0.00 C ATOM 829 SG CYS A 57 -8.583 -6.123 2.585 1.00 0.00 S ATOM 0 H CYS A 57 -10.775 -6.876 6.021 1.00 0.00 H new ATOM 0 HA CYS A 57 -11.419 -5.404 3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.243 -5.399 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.150 -7.146 4.654 1.00 0.00 H new ATOM 834 N THR A 58 -12.784 -7.519 2.801 1.00 0.00 N ATOM 835 CA THR A 58 -13.322 -8.529 1.901 1.00 0.00 C ATOM 836 C THR A 58 -13.040 -8.105 0.458 1.00 0.00 C ATOM 837 O THR A 58 -12.193 -8.660 -0.242 1.00 0.00 O ATOM 838 CB THR A 58 -14.829 -8.715 2.166 1.00 0.00 C ATOM 839 OG1 THR A 58 -15.534 -7.496 1.990 1.00 0.00 O ATOM 840 CG2 THR A 58 -15.082 -9.215 3.592 1.00 0.00 C ATOM 0 H THR A 58 -13.482 -6.876 3.174 1.00 0.00 H new ATOM 0 HA THR A 58 -12.842 -9.492 2.074 1.00 0.00 H new ATOM 0 HB THR A 58 -15.186 -9.454 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.488 -7.642 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.154 -9.337 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.583 -10.173 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.690 -8.491 4.306 1.00 0.00 H new ATOM 848 N SER A 59 -13.771 -7.083 0.022 1.00 0.00 N ATOM 849 CA SER A 59 -13.843 -6.640 -1.357 1.00 0.00 C ATOM 850 C SER A 59 -12.948 -5.423 -1.570 1.00 0.00 C ATOM 851 O SER A 59 -13.362 -4.475 -2.231 1.00 0.00 O ATOM 852 CB SER A 59 -15.308 -6.331 -1.687 1.00 0.00 C ATOM 853 OG SER A 59 -16.127 -7.405 -1.259 1.00 0.00 O ATOM 0 H SER A 59 -14.350 -6.523 0.648 1.00 0.00 H new ATOM 0 HA SER A 59 -13.484 -7.421 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.615 -5.408 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.425 -6.176 -2.760 1.00 0.00 H new ATOM 0 HG SER A 59 -17.063 -7.206 -1.469 1.00 0.00 H new ATOM 859 N ALA A 60 -11.729 -5.450 -1.017 1.00 0.00 N ATOM 860 CA ALA A 60 -10.779 -4.368 -1.231 1.00 0.00 C ATOM 861 C ALA A 60 -10.580 -4.181 -2.728 1.00 0.00 C ATOM 862 O ALA A 60 -10.295 -5.145 -3.445 1.00 0.00 O ATOM 863 CB ALA A 60 -9.462 -4.636 -0.506 1.00 0.00 C ATOM 0 H ALA A 60 -11.386 -6.206 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.175 -3.443 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.773 -3.810 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.648 -4.728 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.023 -5.562 -0.879 1.00 0.00 H new ATOM 869 N GLY A 61 -10.792 -2.951 -3.194 1.00 0.00 N ATOM 870 CA GLY A 61 -10.878 -2.658 -4.604 1.00 0.00 C ATOM 871 C GLY A 61 -9.523 -2.749 -5.296 1.00 0.00 C ATOM 872 O GLY A 61 -8.510 -3.134 -4.693 1.00 0.00 O ATOM 0 H GLY A 61 -10.908 -2.135 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.572 -3.353 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.287 -1.657 -4.741 1.00 0.00 H new ATOM 876 N PRO A 62 -9.497 -2.385 -6.584 1.00 0.00 N ATOM 877 CA PRO A 62 -8.259 -2.205 -7.303 1.00 0.00 C ATOM 878 C PRO A 62 -7.496 -1.027 -6.692 1.00 0.00 C ATOM 879 O PRO A 62 -7.861 -0.464 -5.657 1.00 0.00 O ATOM 880 CB PRO A 62 -8.674 -1.962 -8.760 1.00 0.00 C ATOM 881 CG PRO A 62 -10.040 -1.290 -8.623 1.00 0.00 C ATOM 882 CD PRO A 62 -10.636 -1.964 -7.388 1.00 0.00 C ATOM 0 HA PRO A 62 -7.587 -3.062 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.961 -1.323 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.738 -2.894 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.947 -0.212 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.658 -1.449 -9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.273 -1.275 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.255 -2.816 -7.667 1.00 0.00 H new ATOM 890 N HIS A 63 -6.378 -0.681 -7.317 1.00 0.00 N ATOM 891 CA HIS A 63 -5.545 0.407 -6.847 1.00 0.00 C ATOM 892 C HIS A 63 -6.307 1.706 -7.050 1.00 0.00 C ATOM 893 O HIS A 63 -6.891 1.897 -8.116 1.00 0.00 O ATOM 894 CB HIS A 63 -4.226 0.398 -7.615 1.00 0.00 C ATOM 895 CG HIS A 63 -3.457 -0.891 -7.460 1.00 0.00 C ATOM 896 ND1 HIS A 63 -2.232 -1.227 -8.041 1.00 0.00 N ATOM 897 CD2 HIS A 63 -3.863 -1.982 -6.749 1.00 0.00 C ATOM 898 CE1 HIS A 63 -1.882 -2.437 -7.549 1.00 0.00 C ATOM 899 NE2 HIS A 63 -2.908 -2.931 -6.861 1.00 0.00 N ATOM 0 H HIS A 63 -6.029 -1.145 -8.156 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.311 0.299 -5.788 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.428 0.568 -8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.607 1.227 -7.271 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.785 -2.071 -6.194 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.928 -2.922 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.965 -3.875 -6.479 1.00 0.00 H new ATOM 907 N PHE A 64 -6.294 2.583 -6.042 1.00 0.00 N ATOM 908 CA PHE A 64 -6.945 3.883 -6.152 1.00 0.00 C ATOM 909 C PHE A 64 -6.479 4.552 -7.444 1.00 0.00 C ATOM 910 O PHE A 64 -5.293 4.460 -7.767 1.00 0.00 O ATOM 911 CB PHE A 64 -6.610 4.745 -4.929 1.00 0.00 C ATOM 912 CG PHE A 64 -7.219 6.136 -4.956 1.00 0.00 C ATOM 913 CD1 PHE A 64 -8.610 6.290 -5.113 1.00 0.00 C ATOM 914 CD2 PHE A 64 -6.394 7.276 -4.919 1.00 0.00 C ATOM 915 CE1 PHE A 64 -9.168 7.573 -5.242 1.00 0.00 C ATOM 916 CE2 PHE A 64 -6.949 8.556 -5.094 1.00 0.00 C ATOM 917 CZ PHE A 64 -8.339 8.707 -5.236 1.00 0.00 C ATOM 0 H PHE A 64 -5.840 2.413 -5.145 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.028 3.762 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.952 4.229 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.527 4.837 -4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.249 5.420 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.332 7.167 -4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.237 7.688 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -6.307 9.424 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.769 9.692 -5.340 1.00 0.00 H new ATOM 927 N ASN A 65 -7.389 5.162 -8.208 1.00 0.00 N ATOM 928 CA ASN A 65 -7.076 5.693 -9.528 1.00 0.00 C ATOM 929 C ASN A 65 -7.655 7.101 -9.690 1.00 0.00 C ATOM 930 O ASN A 65 -8.851 7.279 -9.478 1.00 0.00 O ATOM 931 CB ASN A 65 -7.619 4.751 -10.606 1.00 0.00 C ATOM 932 CG ASN A 65 -7.147 5.211 -11.978 1.00 0.00 C ATOM 933 OD1 ASN A 65 -7.930 5.663 -12.800 1.00 0.00 O ATOM 934 ND2 ASN A 65 -5.843 5.139 -12.229 1.00 0.00 N ATOM 0 H ASN A 65 -8.360 5.299 -7.926 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.994 5.762 -9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.279 3.733 -10.417 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.708 4.735 -10.573 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.477 5.465 -13.124 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.209 4.758 -11.527 1.00 0.00 H new ATOM 941 N PRO A 66 -6.839 8.111 -10.043 1.00 0.00 N ATOM 942 CA PRO A 66 -7.281 9.496 -10.082 1.00 0.00 C ATOM 943 C PRO A 66 -8.128 9.808 -11.317 1.00 0.00 C ATOM 944 O PRO A 66 -9.078 10.580 -11.224 1.00 0.00 O ATOM 945 CB PRO A 66 -5.998 10.332 -10.036 1.00 0.00 C ATOM 946 CG PRO A 66 -4.953 9.426 -10.686 1.00 0.00 C ATOM 947 CD PRO A 66 -5.402 8.029 -10.261 1.00 0.00 C ATOM 0 HA PRO A 66 -7.938 9.723 -9.243 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.111 11.269 -10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.724 10.590 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.942 9.535 -11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.947 9.652 -10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.167 7.294 -11.031 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.888 7.715 -9.353 1.00 0.00 H new ATOM 955 N LEU A 67 -7.764 9.246 -12.474 1.00 0.00 N ATOM 956 CA LEU A 67 -8.423 9.496 -13.750 1.00 0.00 C ATOM 957 C LEU A 67 -8.419 8.195 -14.549 1.00 0.00 C ATOM 958 O LEU A 67 -9.423 7.494 -14.629 1.00 0.00 O ATOM 959 CB LEU A 67 -7.681 10.619 -14.508 1.00 0.00 C ATOM 960 CG LEU A 67 -8.202 12.029 -14.194 1.00 0.00 C ATOM 961 CD1 LEU A 67 -7.134 13.067 -14.557 1.00 0.00 C ATOM 962 CD2 LEU A 67 -9.477 12.319 -14.996 1.00 0.00 C ATOM 0 H LEU A 67 -6.985 8.591 -12.546 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.452 9.822 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.620 10.571 -14.262 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.768 10.440 -15.580 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.428 12.086 -13.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.507 14.066 -14.333 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.231 12.878 -13.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.904 12.996 -15.620 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.834 13.322 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.260 12.250 -16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.245 11.591 -14.735 1.00 0.00 H new ATOM 974 N SER A 68 -7.284 7.911 -15.186 1.00 0.00 N ATOM 975 CA SER A 68 -6.952 6.657 -15.842 1.00 0.00 C ATOM 976 C SER A 68 -5.440 6.647 -15.996 1.00 0.00 C ATOM 977 O SER A 68 -4.882 7.589 -16.551 1.00 0.00 O ATOM 978 CB SER A 68 -7.636 6.558 -17.211 1.00 0.00 C ATOM 979 OG SER A 68 -9.015 6.284 -17.067 1.00 0.00 O ATOM 0 H SER A 68 -6.530 8.594 -15.260 1.00 0.00 H new ATOM 0 HA SER A 68 -7.297 5.804 -15.257 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.502 7.492 -17.757 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.165 5.772 -17.802 1.00 0.00 H new ATOM 0 HG SER A 68 -9.329 6.629 -16.205 1.00 0.00 H new ATOM 985 N ARG A 69 -4.801 5.598 -15.493 1.00 0.00 N ATOM 986 CA ARG A 69 -3.404 5.252 -15.684 1.00 0.00 C ATOM 987 C ARG A 69 -3.401 3.739 -15.507 1.00 0.00 C ATOM 988 O ARG A 69 -4.276 3.218 -14.813 1.00 0.00 O ATOM 989 CB ARG A 69 -2.510 5.950 -14.643 1.00 0.00 C ATOM 990 CG ARG A 69 -1.905 7.243 -15.212 1.00 0.00 C ATOM 991 CD ARG A 69 -1.193 8.085 -14.149 1.00 0.00 C ATOM 992 NE ARG A 69 -0.679 9.331 -14.748 1.00 0.00 N ATOM 993 CZ ARG A 69 -0.856 10.587 -14.302 1.00 0.00 C ATOM 994 NH1 ARG A 69 -1.470 10.825 -13.137 1.00 0.00 N ATOM 995 NH2 ARG A 69 -0.411 11.614 -15.037 1.00 0.00 N ATOM 0 H ARG A 69 -5.282 4.922 -14.900 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.007 5.567 -16.649 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.095 6.180 -13.752 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.711 5.276 -14.335 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.198 6.990 -16.002 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.696 7.837 -15.670 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.883 8.320 -13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.371 7.516 -13.714 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.126 9.228 -15.599 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.812 10.047 -12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.596 11.784 -12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.057 11.440 -15.926 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.540 12.571 -14.708 1.00 0.00 H new ATOM 1009 N LYS A 70 -2.500 3.023 -16.170 1.00 0.00 N ATOM 1010 CA LYS A 70 -2.353 1.598 -15.930 1.00 0.00 C ATOM 1011 C LYS A 70 -1.671 1.374 -14.578 1.00 0.00 C ATOM 1012 O LYS A 70 -1.450 2.307 -13.803 1.00 0.00 O ATOM 1013 CB LYS A 70 -1.582 0.955 -17.088 1.00 0.00 C ATOM 1014 CG LYS A 70 -2.288 1.187 -18.434 1.00 0.00 C ATOM 1015 CD LYS A 70 -1.318 0.971 -19.604 1.00 0.00 C ATOM 1016 CE LYS A 70 -1.922 1.496 -20.920 1.00 0.00 C ATOM 1017 NZ LYS A 70 -0.975 2.367 -21.645 1.00 0.00 N ATOM 0 H LYS A 70 -1.866 3.405 -16.872 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.331 1.119 -15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.574 1.368 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.481 -0.115 -16.909 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.135 0.507 -18.528 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.688 2.200 -18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.377 1.482 -19.401 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.089 -0.090 -19.702 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.201 0.654 -21.554 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.836 2.050 -20.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.460 3.239 -21.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.177 2.607 -21.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.620 1.869 -22.486 1.00 0.00 H new ATOM 1031 N HIS A 71 -1.340 0.116 -14.301 1.00 0.00 N ATOM 1032 CA HIS A 71 -0.510 -0.248 -13.175 1.00 0.00 C ATOM 1033 C HIS A 71 0.962 -0.105 -13.540 1.00 0.00 C ATOM 1034 O HIS A 71 1.348 -0.376 -14.674 1.00 0.00 O ATOM 1035 CB HIS A 71 -0.789 -1.700 -12.819 1.00 0.00 C ATOM 1036 CG HIS A 71 -0.043 -2.141 -11.605 1.00 0.00 C ATOM 1037 ND1 HIS A 71 -0.077 -1.602 -10.313 1.00 0.00 N ATOM 1038 CD2 HIS A 71 0.950 -3.062 -11.636 1.00 0.00 C ATOM 1039 CE1 HIS A 71 0.878 -2.241 -9.605 1.00 0.00 C ATOM 1040 NE2 HIS A 71 1.493 -3.121 -10.403 1.00 0.00 N ATOM 0 H HIS A 71 -1.647 -0.680 -14.861 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.734 0.406 -12.332 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.858 -1.832 -12.653 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.516 -2.337 -13.661 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.252 -3.644 -12.494 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.108 -2.070 -8.564 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.254 -3.740 -10.123 1.00 0.00 H new ATOM 1048 N GLY A 72 1.783 0.246 -12.551 1.00 0.00 N ATOM 1049 CA GLY A 72 3.221 0.321 -12.701 1.00 0.00 C ATOM 1050 C GLY A 72 3.837 0.373 -11.310 1.00 0.00 C ATOM 1051 O GLY A 72 3.329 -0.258 -10.387 1.00 0.00 O ATOM 0 H GLY A 72 1.457 0.488 -11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.592 -0.544 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.499 1.206 -13.274 1.00 0.00 H new ATOM 1055 N GLY A 73 4.906 1.149 -11.148 1.00 0.00 N ATOM 1056 CA GLY A 73 5.610 1.325 -9.891 1.00 0.00 C ATOM 1057 C GLY A 73 6.864 2.134 -10.192 1.00 0.00 C ATOM 1058 O GLY A 73 6.841 2.894 -11.159 1.00 0.00 O ATOM 0 H GLY A 73 5.314 1.686 -11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.982 1.843 -9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.869 0.360 -9.456 1.00 0.00 H new ATOM 1062 N PRO A 74 7.963 1.964 -9.439 1.00 0.00 N ATOM 1063 CA PRO A 74 9.194 2.722 -9.622 1.00 0.00 C ATOM 1064 C PRO A 74 9.994 2.228 -10.839 1.00 0.00 C ATOM 1065 O PRO A 74 11.157 1.845 -10.729 1.00 0.00 O ATOM 1066 CB PRO A 74 9.944 2.583 -8.291 1.00 0.00 C ATOM 1067 CG PRO A 74 9.493 1.218 -7.774 1.00 0.00 C ATOM 1068 CD PRO A 74 8.046 1.127 -8.255 1.00 0.00 C ATOM 0 HA PRO A 74 9.009 3.772 -9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.024 2.623 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.683 3.382 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.104 0.411 -8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.562 1.155 -6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.776 0.097 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.357 1.472 -7.484 1.00 0.00 H new ATOM 1076 N LYS A 75 9.360 2.255 -12.012 1.00 0.00 N ATOM 1077 CA LYS A 75 9.954 2.059 -13.317 1.00 0.00 C ATOM 1078 C LYS A 75 9.220 2.928 -14.337 1.00 0.00 C ATOM 1079 O LYS A 75 9.854 3.678 -15.075 1.00 0.00 O ATOM 1080 CB LYS A 75 9.870 0.586 -13.724 1.00 0.00 C ATOM 1081 CG LYS A 75 10.926 -0.253 -12.997 1.00 0.00 C ATOM 1082 CD LYS A 75 11.287 -1.502 -13.814 1.00 0.00 C ATOM 1083 CE LYS A 75 12.469 -2.237 -13.164 1.00 0.00 C ATOM 1084 NZ LYS A 75 12.888 -3.420 -13.945 1.00 0.00 N ATOM 0 H LYS A 75 8.356 2.426 -12.070 1.00 0.00 H new ATOM 0 HA LYS A 75 11.005 2.346 -13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.876 0.200 -13.497 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.009 0.496 -14.801 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.820 0.347 -12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.550 -0.550 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.425 -2.167 -13.876 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.543 -1.217 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.311 -1.552 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.192 -2.548 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.688 -3.885 -13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.093 -4.087 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.178 -3.122 -14.898 1.00 0.00 H new ATOM 1098 N ASP A 76 7.893 2.791 -14.396 1.00 0.00 N ATOM 1099 CA ASP A 76 7.051 3.481 -15.351 1.00 0.00 C ATOM 1100 C ASP A 76 6.465 4.736 -14.708 1.00 0.00 C ATOM 1101 O ASP A 76 6.574 4.930 -13.496 1.00 0.00 O ATOM 1102 CB ASP A 76 5.935 2.522 -15.789 1.00 0.00 C ATOM 1103 CG ASP A 76 5.545 2.763 -17.231 1.00 0.00 C ATOM 1104 OD1 ASP A 76 5.021 3.876 -17.467 1.00 0.00 O ATOM 1105 OD2 ASP A 76 5.810 1.841 -18.040 1.00 0.00 O ATOM 0 H ASP A 76 7.372 2.183 -13.764 1.00 0.00 H new ATOM 0 HA ASP A 76 7.631 3.787 -16.222 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.268 1.491 -15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.064 2.654 -15.147 1.00 0.00 H new ATOM 1110 N GLU A 77 5.798 5.553 -15.516 1.00 0.00 N ATOM 1111 CA GLU A 77 4.980 6.651 -15.041 1.00 0.00 C ATOM 1112 C GLU A 77 3.508 6.281 -15.189 1.00 0.00 C ATOM 1113 O GLU A 77 2.676 6.903 -14.523 1.00 0.00 O ATOM 1114 CB GLU A 77 5.316 7.962 -15.753 1.00 0.00 C ATOM 1115 CG GLU A 77 6.724 8.436 -15.374 1.00 0.00 C ATOM 1116 CD GLU A 77 6.863 9.937 -15.582 1.00 0.00 C ATOM 1117 OE1 GLU A 77 6.288 10.662 -14.740 1.00 0.00 O ATOM 1118 OE2 GLU A 77 7.521 10.324 -16.570 1.00 0.00 O ATOM 0 H GLU A 77 5.814 5.466 -16.532 1.00 0.00 H new ATOM 0 HA GLU A 77 5.195 6.820 -13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.251 7.823 -16.832 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.585 8.725 -15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.928 8.188 -14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.464 7.911 -15.977 1.00 0.00 H new ATOM 1125 N GLU A 78 3.160 5.248 -15.978 1.00 0.00 N ATOM 1126 CA GLU A 78 1.778 4.846 -16.112 1.00 0.00 C ATOM 1127 C GLU A 78 1.422 3.909 -14.950 1.00 0.00 C ATOM 1128 O GLU A 78 1.104 2.737 -15.131 1.00 0.00 O ATOM 1129 CB GLU A 78 1.483 4.305 -17.520 1.00 0.00 C ATOM 1130 CG GLU A 78 0.223 4.995 -18.065 1.00 0.00 C ATOM 1131 CD GLU A 78 -0.287 4.333 -19.330 1.00 0.00 C ATOM 1132 OE1 GLU A 78 0.526 3.919 -20.183 1.00 0.00 O ATOM 1133 OE2 GLU A 78 -1.514 4.154 -19.461 1.00 0.00 O ATOM 0 H GLU A 78 3.821 4.692 -16.521 1.00 0.00 H new ATOM 0 HA GLU A 78 1.111 5.704 -16.029 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.330 4.491 -18.180 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.337 3.225 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.558 4.975 -17.305 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.443 6.043 -18.268 1.00 0.00 H new ATOM 1140 N ARG A 79 1.518 4.464 -13.742 1.00 0.00 N ATOM 1141 CA ARG A 79 1.224 3.848 -12.458 1.00 0.00 C ATOM 1142 C ARG A 79 -0.033 4.521 -11.919 1.00 0.00 C ATOM 1143 O ARG A 79 -0.248 5.702 -12.184 1.00 0.00 O ATOM 1144 CB ARG A 79 2.412 4.038 -11.497 1.00 0.00 C ATOM 1145 CG ARG A 79 3.124 5.383 -11.686 1.00 0.00 C ATOM 1146 CD ARG A 79 4.184 5.668 -10.621 1.00 0.00 C ATOM 1147 NE ARG A 79 4.827 6.961 -10.908 1.00 0.00 N ATOM 1148 CZ ARG A 79 5.745 7.567 -10.141 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.144 6.990 -9.002 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.249 8.750 -10.515 1.00 0.00 N ATOM 0 H ARG A 79 1.827 5.430 -13.633 1.00 0.00 H new ATOM 0 HA ARG A 79 1.062 2.775 -12.561 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.057 3.962 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.127 3.230 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.594 5.401 -12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.383 6.182 -11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.726 5.688 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.929 4.873 -10.611 1.00 0.00 H new ATOM 0 HE ARG A 79 4.550 7.438 -11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.750 6.092 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.842 7.448 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.934 9.188 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.947 9.214 -9.934 1.00 0.00 H new ATOM 1164 N HIS A 80 -0.868 3.799 -11.169 1.00 0.00 N ATOM 1165 CA HIS A 80 -2.188 4.308 -10.814 1.00 0.00 C ATOM 1166 C HIS A 80 -2.099 5.622 -10.036 1.00 0.00 C ATOM 1167 O HIS A 80 -2.657 6.629 -10.465 1.00 0.00 O ATOM 1168 CB HIS A 80 -2.970 3.244 -10.045 1.00 0.00 C ATOM 1169 CG HIS A 80 -3.291 2.038 -10.885 1.00 0.00 C ATOM 1170 ND1 HIS A 80 -2.850 0.720 -10.703 1.00 0.00 N ATOM 1171 CD2 HIS A 80 -4.053 2.055 -12.021 1.00 0.00 C ATOM 1172 CE1 HIS A 80 -3.505 -0.024 -11.615 1.00 0.00 C ATOM 1173 NE2 HIS A 80 -4.115 0.779 -12.488 1.00 0.00 N ATOM 0 H HIS A 80 -0.655 2.872 -10.801 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.728 4.531 -11.734 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.392 2.932 -9.175 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.897 3.679 -9.672 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.519 2.922 -12.465 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.532 -1.103 -11.636 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.555 0.485 -13.360 1.00 0.00 H new ATOM 1181 N VAL A 81 -1.392 5.575 -8.904 1.00 0.00 N ATOM 1182 CA VAL A 81 -1.023 6.677 -8.012 1.00 0.00 C ATOM 1183 C VAL A 81 -0.407 6.039 -6.766 1.00 0.00 C ATOM 1184 O VAL A 81 0.699 6.375 -6.362 1.00 0.00 O ATOM 1185 CB VAL A 81 -2.194 7.636 -7.677 1.00 0.00 C ATOM 1186 CG1 VAL A 81 -3.357 6.966 -6.943 1.00 0.00 C ATOM 1187 CG2 VAL A 81 -1.734 8.830 -6.837 1.00 0.00 C ATOM 0 H VAL A 81 -1.031 4.686 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.307 7.329 -8.512 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.549 7.968 -8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.135 7.703 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.764 6.165 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.001 6.551 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.586 9.476 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.308 8.473 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.980 9.393 -7.387 1.00 0.00 H new ATOM 1197 N GLY A 82 -1.107 5.053 -6.198 1.00 0.00 N ATOM 1198 CA GLY A 82 -0.721 4.397 -4.959 1.00 0.00 C ATOM 1199 C GLY A 82 0.256 3.235 -5.143 1.00 0.00 C ATOM 1200 O GLY A 82 0.490 2.499 -4.188 1.00 0.00 O ATOM 0 H GLY A 82 -1.971 4.687 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.270 5.135 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.618 4.028 -4.462 1.00 0.00 H new ATOM 1204 N ASP A 83 0.754 3.021 -6.364 1.00 0.00 N ATOM 1205 CA ASP A 83 1.678 1.957 -6.748 1.00 0.00 C ATOM 1206 C ASP A 83 3.086 2.243 -6.219 1.00 0.00 C ATOM 1207 O ASP A 83 3.860 2.926 -6.889 1.00 0.00 O ATOM 1208 CB ASP A 83 1.633 1.780 -8.272 1.00 0.00 C ATOM 1209 CG ASP A 83 0.252 1.378 -8.788 1.00 0.00 C ATOM 1210 OD1 ASP A 83 -0.626 1.070 -7.957 1.00 0.00 O ATOM 1211 OD2 ASP A 83 0.054 1.319 -10.020 1.00 0.00 O ATOM 0 H ASP A 83 0.508 3.620 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 83 1.374 1.014 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.935 2.712 -8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.359 1.022 -8.565 1.00 0.00 H new ATOM 1216 N LEU A 84 3.430 1.702 -5.043 1.00 0.00 N ATOM 1217 CA LEU A 84 4.765 1.882 -4.468 1.00 0.00 C ATOM 1218 C LEU A 84 5.747 0.886 -5.083 1.00 0.00 C ATOM 1219 O LEU A 84 6.952 1.121 -5.086 1.00 0.00 O ATOM 1220 CB LEU A 84 4.744 1.741 -2.939 1.00 0.00 C ATOM 1221 CG LEU A 84 3.719 2.644 -2.233 1.00 0.00 C ATOM 1222 CD1 LEU A 84 3.758 2.360 -0.727 1.00 0.00 C ATOM 1223 CD2 LEU A 84 3.999 4.131 -2.482 1.00 0.00 C ATOM 0 H LEU A 84 2.801 1.137 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 84 5.095 2.894 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.532 0.703 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.737 1.967 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 84 2.733 2.422 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.034 2.996 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.511 1.314 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.757 2.568 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.252 4.733 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.991 4.382 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.954 4.336 -3.552 1.00 0.00 H new ATOM 1235 N GLY A 85 5.228 -0.231 -5.597 1.00 0.00 N ATOM 1236 CA GLY A 85 6.003 -1.302 -6.188 1.00 0.00 C ATOM 1237 C GLY A 85 5.975 -2.471 -5.220 1.00 0.00 C ATOM 1238 O GLY A 85 4.914 -3.055 -4.997 1.00 0.00 O ATOM 0 H GLY A 85 4.224 -0.412 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.584 -1.592 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.028 -0.979 -6.370 1.00 0.00 H new ATOM 1242 N ASN A 86 7.124 -2.800 -4.623 1.00 0.00 N ATOM 1243 CA ASN A 86 7.263 -3.948 -3.743 1.00 0.00 C ATOM 1244 C ASN A 86 8.340 -3.698 -2.689 1.00 0.00 C ATOM 1245 O ASN A 86 9.170 -2.808 -2.859 1.00 0.00 O ATOM 1246 CB ASN A 86 7.520 -5.225 -4.562 1.00 0.00 C ATOM 1247 CG ASN A 86 8.735 -5.137 -5.480 1.00 0.00 C ATOM 1248 OD1 ASN A 86 9.852 -4.945 -5.017 1.00 0.00 O ATOM 1249 ND2 ASN A 86 8.544 -5.300 -6.790 1.00 0.00 N ATOM 0 H ASN A 86 7.986 -2.269 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 86 6.328 -4.097 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.654 -6.063 -3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.637 -5.443 -5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.338 -5.266 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.604 -5.459 -7.152 1.00 0.00 H new ATOM 1256 N VAL A 87 8.278 -4.451 -1.584 1.00 0.00 N ATOM 1257 CA VAL A 87 9.147 -4.334 -0.417 1.00 0.00 C ATOM 1258 C VAL A 87 9.681 -5.724 -0.052 1.00 0.00 C ATOM 1259 O VAL A 87 9.015 -6.719 -0.325 1.00 0.00 O ATOM 1260 CB VAL A 87 8.381 -3.684 0.754 1.00 0.00 C ATOM 1261 CG1 VAL A 87 7.883 -2.285 0.367 1.00 0.00 C ATOM 1262 CG2 VAL A 87 7.188 -4.526 1.232 1.00 0.00 C ATOM 0 H VAL A 87 7.586 -5.193 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 87 9.996 -3.688 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 87 9.092 -3.616 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.346 -1.845 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.734 -1.654 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.215 -2.361 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.690 -4.016 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.485 -4.660 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.542 -5.500 1.569 1.00 0.00 H new ATOM 1272 N THR A 88 10.876 -5.796 0.540 1.00 0.00 N ATOM 1273 CA THR A 88 11.573 -7.041 0.868 1.00 0.00 C ATOM 1274 C THR A 88 11.196 -7.478 2.278 1.00 0.00 C ATOM 1275 O THR A 88 11.080 -6.642 3.172 1.00 0.00 O ATOM 1276 CB THR A 88 13.086 -6.808 0.742 1.00 0.00 C ATOM 1277 OG1 THR A 88 13.370 -6.340 -0.562 1.00 0.00 O ATOM 1278 CG2 THR A 88 13.898 -8.088 0.968 1.00 0.00 C ATOM 0 H THR A 88 11.400 -4.964 0.812 1.00 0.00 H new ATOM 0 HA THR A 88 11.283 -7.835 0.180 1.00 0.00 H new ATOM 0 HB THR A 88 13.367 -6.084 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.334 -6.187 -0.652 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.961 -7.867 0.868 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.700 -8.472 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.611 -8.836 0.229 1.00 0.00 H new ATOM 1286 N ALA A 89 11.020 -8.787 2.463 1.00 0.00 N ATOM 1287 CA ALA A 89 10.803 -9.421 3.747 1.00 0.00 C ATOM 1288 C ALA A 89 11.946 -10.387 4.040 1.00 0.00 C ATOM 1289 O ALA A 89 12.367 -11.124 3.145 1.00 0.00 O ATOM 1290 CB ALA A 89 9.479 -10.179 3.704 1.00 0.00 C ATOM 0 H ALA A 89 11.026 -9.452 1.689 1.00 0.00 H new ATOM 0 HA ALA A 89 10.768 -8.667 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.304 -10.661 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.667 -9.482 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.518 -10.936 2.921 1.00 0.00 H new ATOM 1296 N ASP A 90 12.424 -10.387 5.285 1.00 0.00 N ATOM 1297 CA ASP A 90 13.397 -11.346 5.779 1.00 0.00 C ATOM 1298 C ASP A 90 12.762 -12.726 5.907 1.00 0.00 C ATOM 1299 O ASP A 90 11.548 -12.903 5.800 1.00 0.00 O ATOM 1300 CB ASP A 90 13.941 -10.907 7.147 1.00 0.00 C ATOM 1301 CG ASP A 90 14.854 -9.698 7.040 1.00 0.00 C ATOM 1302 OD1 ASP A 90 15.911 -9.858 6.392 1.00 0.00 O ATOM 1303 OD2 ASP A 90 14.488 -8.655 7.619 1.00 0.00 O ATOM 0 H ASP A 90 12.137 -9.705 5.987 1.00 0.00 H new ATOM 0 HA ASP A 90 14.220 -11.392 5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.108 -10.673 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.487 -11.734 7.601 1.00 0.00 H new ATOM 1308 N LYS A 91 13.610 -13.704 6.213 1.00 0.00 N ATOM 1309 CA LYS A 91 13.278 -15.117 6.245 1.00 0.00 C ATOM 1310 C LYS A 91 12.244 -15.488 7.317 1.00 0.00 C ATOM 1311 O LYS A 91 11.592 -16.524 7.219 1.00 0.00 O ATOM 1312 CB LYS A 91 14.566 -15.909 6.466 1.00 0.00 C ATOM 1313 CG LYS A 91 15.599 -15.615 5.369 1.00 0.00 C ATOM 1314 CD LYS A 91 16.581 -16.782 5.235 1.00 0.00 C ATOM 1315 CE LYS A 91 17.633 -16.449 4.169 1.00 0.00 C ATOM 1316 NZ LYS A 91 18.512 -17.601 3.888 1.00 0.00 N ATOM 0 H LYS A 91 14.584 -13.522 6.454 1.00 0.00 H new ATOM 0 HA LYS A 91 12.815 -15.365 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.986 -15.659 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.341 -16.976 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.092 -15.447 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.142 -14.700 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.066 -16.974 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.046 -17.691 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.134 -16.140 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.236 -15.605 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.209 -17.337 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.007 -17.881 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.940 -18.398 3.544 1.00 0.00 H new ATOM 1330 N ASP A 92 12.109 -14.648 8.346 1.00 0.00 N ATOM 1331 CA ASP A 92 11.145 -14.809 9.430 1.00 0.00 C ATOM 1332 C ASP A 92 9.767 -14.348 8.959 1.00 0.00 C ATOM 1333 O ASP A 92 8.750 -14.632 9.587 1.00 0.00 O ATOM 1334 CB ASP A 92 11.599 -13.984 10.643 1.00 0.00 C ATOM 1335 CG ASP A 92 10.707 -14.227 11.859 1.00 0.00 C ATOM 1336 OD1 ASP A 92 10.745 -15.368 12.365 1.00 0.00 O ATOM 1337 OD2 ASP A 92 10.024 -13.268 12.286 1.00 0.00 O ATOM 0 H ASP A 92 12.686 -13.813 8.448 1.00 0.00 H new ATOM 0 HA ASP A 92 11.085 -15.858 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.629 -14.239 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.585 -12.924 10.388 1.00 0.00 H new ATOM 1342 N GLY A 93 9.738 -13.620 7.839 1.00 0.00 N ATOM 1343 CA GLY A 93 8.534 -13.105 7.250 1.00 0.00 C ATOM 1344 C GLY A 93 8.231 -11.698 7.741 1.00 0.00 C ATOM 1345 O GLY A 93 7.069 -11.289 7.769 1.00 0.00 O ATOM 0 H GLY A 93 10.580 -13.376 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.632 -13.099 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.699 -13.763 7.491 1.00 0.00 H new ATOM 1349 N VAL A 94 9.279 -10.967 8.129 1.00 0.00 N ATOM 1350 CA VAL A 94 9.217 -9.604 8.608 1.00 0.00 C ATOM 1351 C VAL A 94 9.624 -8.697 7.449 1.00 0.00 C ATOM 1352 O VAL A 94 10.764 -8.781 7.005 1.00 0.00 O ATOM 1353 CB VAL A 94 10.166 -9.463 9.809 1.00 0.00 C ATOM 1354 CG1 VAL A 94 10.252 -8.009 10.277 1.00 0.00 C ATOM 1355 CG2 VAL A 94 9.680 -10.335 10.973 1.00 0.00 C ATOM 0 H VAL A 94 10.230 -11.335 8.113 1.00 0.00 H new ATOM 0 HA VAL A 94 8.217 -9.327 8.941 1.00 0.00 H new ATOM 0 HB VAL A 94 11.155 -9.790 9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.930 -7.940 11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.625 -7.386 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.262 -7.663 10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.360 -10.227 11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.680 -10.021 11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.654 -11.379 10.660 1.00 0.00 H new ATOM 1365 N ALA A 95 8.722 -7.848 6.950 1.00 0.00 N ATOM 1366 CA ALA A 95 9.074 -6.801 5.999 1.00 0.00 C ATOM 1367 C ALA A 95 9.127 -5.474 6.729 1.00 0.00 C ATOM 1368 O ALA A 95 8.124 -5.060 7.309 1.00 0.00 O ATOM 1369 CB ALA A 95 8.081 -6.716 4.842 1.00 0.00 C ATOM 0 H ALA A 95 7.732 -7.870 7.195 1.00 0.00 H new ATOM 0 HA ALA A 95 10.047 -7.043 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.385 -5.922 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.062 -7.666 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.086 -6.499 5.231 1.00 0.00 H new ATOM 1375 N ASP A 96 10.289 -4.825 6.670 1.00 0.00 N ATOM 1376 CA ASP A 96 10.473 -3.450 7.118 1.00 0.00 C ATOM 1377 C ASP A 96 10.194 -2.509 5.948 1.00 0.00 C ATOM 1378 O ASP A 96 10.475 -2.850 4.798 1.00 0.00 O ATOM 1379 CB ASP A 96 11.899 -3.234 7.636 1.00 0.00 C ATOM 1380 CG ASP A 96 12.127 -1.756 7.931 1.00 0.00 C ATOM 1381 OD1 ASP A 96 11.590 -1.299 8.961 1.00 0.00 O ATOM 1382 OD2 ASP A 96 12.781 -1.098 7.094 1.00 0.00 O ATOM 0 H ASP A 96 11.141 -5.249 6.303 1.00 0.00 H new ATOM 0 HA ASP A 96 9.782 -3.243 7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.060 -3.823 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.620 -3.581 6.896 1.00 0.00 H new ATOM 1387 N VAL A 97 9.625 -1.338 6.230 1.00 0.00 N ATOM 1388 CA VAL A 97 9.424 -0.263 5.302 1.00 0.00 C ATOM 1389 C VAL A 97 9.923 0.993 6.006 1.00 0.00 C ATOM 1390 O VAL A 97 9.672 1.159 7.200 1.00 0.00 O ATOM 1391 CB VAL A 97 7.923 -0.194 5.004 1.00 0.00 C ATOM 1392 CG1 VAL A 97 7.616 1.036 4.162 1.00 0.00 C ATOM 1393 CG2 VAL A 97 7.496 -1.472 4.280 1.00 0.00 C ATOM 0 H VAL A 97 9.279 -1.118 7.164 1.00 0.00 H new ATOM 0 HA VAL A 97 9.953 -0.387 4.357 1.00 0.00 H new ATOM 0 HB VAL A 97 7.364 -0.113 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.547 1.077 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.915 1.933 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.166 0.980 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.428 -1.429 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.051 -1.564 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.704 -2.335 4.912 1.00 0.00 H new ATOM 1403 N SER A 98 10.593 1.877 5.263 1.00 0.00 N ATOM 1404 CA SER A 98 11.064 3.175 5.727 1.00 0.00 C ATOM 1405 C SER A 98 11.468 4.006 4.507 1.00 0.00 C ATOM 1406 O SER A 98 12.588 3.862 4.022 1.00 0.00 O ATOM 1407 CB SER A 98 12.255 3.007 6.680 1.00 0.00 C ATOM 1408 OG SER A 98 11.822 2.623 7.969 1.00 0.00 O ATOM 0 H SER A 98 10.829 1.698 4.287 1.00 0.00 H new ATOM 0 HA SER A 98 10.270 3.682 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.939 2.257 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.810 3.943 6.743 1.00 0.00 H new ATOM 0 HG SER A 98 10.976 2.133 7.898 1.00 0.00 H new ATOM 1414 N ILE A 99 10.572 4.853 3.993 1.00 0.00 N ATOM 1415 CA ILE A 99 10.824 5.690 2.823 1.00 0.00 C ATOM 1416 C ILE A 99 9.934 6.931 2.895 1.00 0.00 C ATOM 1417 O ILE A 99 9.187 7.093 3.857 1.00 0.00 O ATOM 1418 CB ILE A 99 10.647 4.850 1.539 1.00 0.00 C ATOM 1419 CG1 ILE A 99 11.607 5.279 0.423 1.00 0.00 C ATOM 1420 CG2 ILE A 99 9.197 4.730 1.054 1.00 0.00 C ATOM 1421 CD1 ILE A 99 11.885 4.192 -0.623 1.00 0.00 C ATOM 0 H ILE A 99 9.639 4.976 4.386 1.00 0.00 H new ATOM 0 HA ILE A 99 11.852 6.051 2.803 1.00 0.00 H new ATOM 0 HB ILE A 99 10.925 3.837 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.194 6.153 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.552 5.586 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.165 4.124 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.592 4.257 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.801 5.723 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.573 4.578 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.330 3.324 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.950 3.900 -1.102 1.00 0.00 H new ATOM 1433 N GLU A 100 10.016 7.815 1.901 1.00 0.00 N ATOM 1434 CA GLU A 100 9.285 9.066 1.854 1.00 0.00 C ATOM 1435 C GLU A 100 8.803 9.284 0.426 1.00 0.00 C ATOM 1436 O GLU A 100 9.593 9.196 -0.512 1.00 0.00 O ATOM 1437 CB GLU A 100 10.108 10.222 2.455 1.00 0.00 C ATOM 1438 CG GLU A 100 11.636 10.111 2.333 1.00 0.00 C ATOM 1439 CD GLU A 100 12.307 11.091 3.286 1.00 0.00 C ATOM 1440 OE1 GLU A 100 12.375 12.286 2.939 1.00 0.00 O ATOM 1441 OE2 GLU A 100 12.707 10.625 4.378 1.00 0.00 O ATOM 0 H GLU A 100 10.612 7.670 1.086 1.00 0.00 H new ATOM 0 HA GLU A 100 8.398 9.029 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.794 11.149 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.855 10.307 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.954 9.094 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.943 10.319 1.308 1.00 0.00 H new ATOM 1448 N ASP A 101 7.488 9.475 0.282 1.00 0.00 N ATOM 1449 CA ASP A 101 6.787 9.549 -0.990 1.00 0.00 C ATOM 1450 C ASP A 101 6.314 10.991 -1.179 1.00 0.00 C ATOM 1451 O ASP A 101 6.086 11.694 -0.199 1.00 0.00 O ATOM 1452 CB ASP A 101 5.615 8.554 -0.957 1.00 0.00 C ATOM 1453 CG ASP A 101 4.850 8.434 -2.270 1.00 0.00 C ATOM 1454 OD1 ASP A 101 5.141 9.221 -3.197 1.00 0.00 O ATOM 1455 OD2 ASP A 101 3.960 7.561 -2.322 1.00 0.00 O ATOM 0 H ASP A 101 6.865 9.586 1.082 1.00 0.00 H new ATOM 0 HA ASP A 101 7.428 9.283 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.997 7.571 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.921 8.856 -0.173 1.00 0.00 H new ATOM 1460 N SER A 102 6.176 11.440 -2.422 1.00 0.00 N ATOM 1461 CA SER A 102 5.712 12.767 -2.797 1.00 0.00 C ATOM 1462 C SER A 102 4.342 12.720 -3.483 1.00 0.00 C ATOM 1463 O SER A 102 3.842 13.762 -3.903 1.00 0.00 O ATOM 1464 CB SER A 102 6.766 13.411 -3.704 1.00 0.00 C ATOM 1465 OG SER A 102 7.116 12.529 -4.757 1.00 0.00 O ATOM 0 H SER A 102 6.395 10.860 -3.232 1.00 0.00 H new ATOM 0 HA SER A 102 5.582 13.368 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.380 14.344 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.652 13.662 -3.121 1.00 0.00 H new ATOM 0 HG SER A 102 7.789 12.954 -5.329 1.00 0.00 H new ATOM 1471 N VAL A 103 3.715 11.543 -3.592 1.00 0.00 N ATOM 1472 CA VAL A 103 2.530 11.358 -4.422 1.00 0.00 C ATOM 1473 C VAL A 103 1.229 11.488 -3.610 1.00 0.00 C ATOM 1474 O VAL A 103 0.155 11.589 -4.202 1.00 0.00 O ATOM 1475 CB VAL A 103 2.667 10.006 -5.151 1.00 0.00 C ATOM 1476 CG1 VAL A 103 1.439 9.656 -5.994 1.00 0.00 C ATOM 1477 CG2 VAL A 103 3.885 10.013 -6.090 1.00 0.00 C ATOM 0 H VAL A 103 4.017 10.698 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 103 2.463 12.152 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 103 2.781 9.260 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.595 8.694 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.561 9.598 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.285 10.426 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.962 9.049 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.767 10.802 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 103 4.790 10.193 -5.510 1.00 0.00 H new ATOM 1487 N ILE A 104 1.294 11.519 -2.272 1.00 0.00 N ATOM 1488 CA ILE A 104 0.122 11.664 -1.406 1.00 0.00 C ATOM 1489 C ILE A 104 0.398 12.646 -0.260 1.00 0.00 C ATOM 1490 O ILE A 104 1.535 13.073 -0.063 1.00 0.00 O ATOM 1491 CB ILE A 104 -0.376 10.292 -0.901 1.00 0.00 C ATOM 1492 CG1 ILE A 104 0.474 9.635 0.200 1.00 0.00 C ATOM 1493 CG2 ILE A 104 -0.610 9.302 -2.052 1.00 0.00 C ATOM 1494 CD1 ILE A 104 1.968 9.442 -0.085 1.00 0.00 C ATOM 0 H ILE A 104 2.172 11.443 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.687 12.091 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.327 10.533 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.378 10.237 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.044 8.658 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.959 8.351 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.360 9.705 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.323 9.146 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.444 8.969 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.092 8.808 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.432 10.411 -0.269 1.00 0.00 H new ATOM 1506 N SER A 105 -0.643 13.016 0.498 1.00 0.00 N ATOM 1507 CA SER A 105 -0.553 13.923 1.638 1.00 0.00 C ATOM 1508 C SER A 105 -1.696 13.629 2.617 1.00 0.00 C ATOM 1509 O SER A 105 -2.862 13.639 2.222 1.00 0.00 O ATOM 1510 CB SER A 105 -0.600 15.378 1.158 1.00 0.00 C ATOM 1511 OG SER A 105 0.409 15.613 0.191 1.00 0.00 O ATOM 0 H SER A 105 -1.591 12.682 0.327 1.00 0.00 H new ATOM 0 HA SER A 105 0.395 13.769 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.579 15.595 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.465 16.051 2.005 1.00 0.00 H new ATOM 0 HG SER A 105 0.366 16.546 -0.107 1.00 0.00 H new ATOM 1517 N LEU A 106 -1.367 13.328 3.878 1.00 0.00 N ATOM 1518 CA LEU A 106 -2.349 13.115 4.941 1.00 0.00 C ATOM 1519 C LEU A 106 -2.649 14.421 5.676 1.00 0.00 C ATOM 1520 O LEU A 106 -3.691 14.531 6.318 1.00 0.00 O ATOM 1521 CB LEU A 106 -1.961 11.979 5.896 1.00 0.00 C ATOM 1522 CG LEU A 106 -0.513 12.026 6.399 1.00 0.00 C ATOM 1523 CD1 LEU A 106 -0.445 11.418 7.801 1.00 0.00 C ATOM 1524 CD2 LEU A 106 0.392 11.191 5.489 1.00 0.00 C ATOM 0 H LEU A 106 -0.401 13.225 4.190 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.272 12.786 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.630 12.002 6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.124 11.027 5.391 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.184 13.065 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.583 11.450 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.084 11.987 8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.785 10.383 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.417 11.233 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.050 10.156 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.355 11.589 4.475 1.00 0.00 H new ATOM 1536 N SER A 107 -1.750 15.403 5.585 1.00 0.00 N ATOM 1537 CA SER A 107 -2.029 16.771 5.976 1.00 0.00 C ATOM 1538 C SER A 107 -2.365 17.528 4.689 1.00 0.00 C ATOM 1539 O SER A 107 -2.213 16.997 3.587 1.00 0.00 O ATOM 1540 CB SER A 107 -0.820 17.380 6.695 1.00 0.00 C ATOM 1541 OG SER A 107 -1.184 18.624 7.268 1.00 0.00 O ATOM 0 H SER A 107 -0.803 15.262 5.234 1.00 0.00 H new ATOM 0 HA SER A 107 -2.862 16.827 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.465 16.701 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.002 17.518 5.992 1.00 0.00 H new ATOM 0 HG SER A 107 -0.410 19.011 7.729 1.00 0.00 H new ATOM 1547 N GLY A 108 -2.808 18.774 4.834 1.00 0.00 N ATOM 1548 CA GLY A 108 -3.154 19.622 3.706 1.00 0.00 C ATOM 1549 C GLY A 108 -4.356 19.107 2.906 1.00 0.00 C ATOM 1550 O GLY A 108 -4.961 18.084 3.232 1.00 0.00 O ATOM 0 H GLY A 108 -2.936 19.222 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.371 20.627 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.293 19.702 3.043 1.00 0.00 H new ATOM 1554 N ASP A 109 -4.686 19.874 1.860 1.00 0.00 N ATOM 1555 CA ASP A 109 -5.865 19.789 1.003 1.00 0.00 C ATOM 1556 C ASP A 109 -6.545 18.414 0.961 1.00 0.00 C ATOM 1557 O ASP A 109 -7.660 18.254 1.455 1.00 0.00 O ATOM 1558 CB ASP A 109 -5.464 20.267 -0.397 1.00 0.00 C ATOM 1559 CG ASP A 109 -6.652 20.232 -1.343 1.00 0.00 C ATOM 1560 OD1 ASP A 109 -7.476 21.164 -1.257 1.00 0.00 O ATOM 1561 OD2 ASP A 109 -6.711 19.261 -2.127 1.00 0.00 O ATOM 0 H ASP A 109 -4.076 20.638 1.569 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.631 20.433 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.069 21.281 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.665 19.636 -0.786 1.00 0.00 H new ATOM 1566 N HIS A 110 -5.872 17.412 0.388 1.00 0.00 N ATOM 1567 CA HIS A 110 -6.500 16.129 0.090 1.00 0.00 C ATOM 1568 C HIS A 110 -6.583 15.196 1.301 1.00 0.00 C ATOM 1569 O HIS A 110 -7.353 14.241 1.241 1.00 0.00 O ATOM 1570 CB HIS A 110 -5.779 15.439 -1.081 1.00 0.00 C ATOM 1571 CG HIS A 110 -6.519 15.566 -2.389 1.00 0.00 C ATOM 1572 ND1 HIS A 110 -6.941 16.736 -2.977 1.00 0.00 N ATOM 1573 CD2 HIS A 110 -6.988 14.532 -3.155 1.00 0.00 C ATOM 1574 CE1 HIS A 110 -7.635 16.411 -4.080 1.00 0.00 C ATOM 1575 NE2 HIS A 110 -7.690 15.077 -4.234 1.00 0.00 N ATOM 0 H HIS A 110 -4.889 17.469 0.122 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.529 16.347 -0.195 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -4.783 15.869 -1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.646 14.383 -0.847 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.760 17.680 -2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.841 13.480 -2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.088 17.125 -4.752 1.00 0.00 H new ATOM 1583 N SER A 111 -5.820 15.452 2.374 1.00 0.00 N ATOM 1584 CA SER A 111 -5.897 14.740 3.650 1.00 0.00 C ATOM 1585 C SER A 111 -6.261 13.249 3.508 1.00 0.00 C ATOM 1586 O SER A 111 -7.333 12.843 3.961 1.00 0.00 O ATOM 1587 CB SER A 111 -6.889 15.496 4.552 1.00 0.00 C ATOM 1588 OG SER A 111 -7.086 14.833 5.786 1.00 0.00 O ATOM 0 H SER A 111 -5.111 16.185 2.373 1.00 0.00 H new ATOM 0 HA SER A 111 -4.906 14.728 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.518 16.504 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.844 15.597 4.037 1.00 0.00 H new ATOM 0 HG SER A 111 -7.375 13.911 5.620 1.00 0.00 H new ATOM 1594 N ILE A 112 -5.381 12.431 2.913 1.00 0.00 N ATOM 1595 CA ILE A 112 -5.677 11.053 2.503 1.00 0.00 C ATOM 1596 C ILE A 112 -5.789 10.033 3.656 1.00 0.00 C ATOM 1597 O ILE A 112 -5.156 8.980 3.639 1.00 0.00 O ATOM 1598 CB ILE A 112 -4.671 10.590 1.429 1.00 0.00 C ATOM 1599 CG1 ILE A 112 -3.242 10.437 1.984 1.00 0.00 C ATOM 1600 CG2 ILE A 112 -4.707 11.502 0.192 1.00 0.00 C ATOM 1601 CD1 ILE A 112 -2.633 9.050 1.736 1.00 0.00 C ATOM 0 H ILE A 112 -4.425 12.716 2.700 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.681 11.081 2.079 1.00 0.00 H new ATOM 0 HB ILE A 112 -4.987 9.595 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.601 11.193 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.254 10.633 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.986 11.146 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -5.706 11.486 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.454 12.521 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.627 9.015 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.251 8.290 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.588 8.859 0.664 1.00 0.00 H new ATOM 1613 N ILE A 113 -6.634 10.307 4.645 1.00 0.00 N ATOM 1614 CA ILE A 113 -7.008 9.361 5.687 1.00 0.00 C ATOM 1615 C ILE A 113 -7.951 8.309 5.070 1.00 0.00 C ATOM 1616 O ILE A 113 -8.342 8.426 3.909 1.00 0.00 O ATOM 1617 CB ILE A 113 -7.620 10.174 6.852 1.00 0.00 C ATOM 1618 CG1 ILE A 113 -6.635 11.211 7.428 1.00 0.00 C ATOM 1619 CG2 ILE A 113 -8.134 9.305 8.006 1.00 0.00 C ATOM 1620 CD1 ILE A 113 -5.281 10.668 7.910 1.00 0.00 C ATOM 0 H ILE A 113 -7.088 11.215 4.745 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.163 8.806 6.095 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.470 10.684 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.449 11.967 6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.119 11.715 8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.549 9.944 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.909 8.632 7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.310 8.720 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.675 11.489 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.443 9.937 8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.763 10.192 7.078 1.00 0.00 H new ATOM 1632 N GLY A 114 -8.293 7.243 5.801 1.00 0.00 N ATOM 1633 CA GLY A 114 -9.314 6.282 5.394 1.00 0.00 C ATOM 1634 C GLY A 114 -8.751 5.196 4.480 1.00 0.00 C ATOM 1635 O GLY A 114 -9.018 4.017 4.693 1.00 0.00 O ATOM 0 H GLY A 114 -7.863 7.024 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.749 5.820 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.120 6.806 4.880 1.00 0.00 H new ATOM 1639 N ARG A 115 -7.972 5.612 3.476 1.00 0.00 N ATOM 1640 CA ARG A 115 -7.349 4.776 2.447 1.00 0.00 C ATOM 1641 C ARG A 115 -6.890 3.406 2.961 1.00 0.00 C ATOM 1642 O ARG A 115 -6.351 3.305 4.062 1.00 0.00 O ATOM 1643 CB ARG A 115 -6.123 5.506 1.887 1.00 0.00 C ATOM 1644 CG ARG A 115 -6.457 6.764 1.082 1.00 0.00 C ATOM 1645 CD ARG A 115 -6.905 6.420 -0.347 1.00 0.00 C ATOM 1646 NE ARG A 115 -7.158 7.632 -1.141 1.00 0.00 N ATOM 1647 CZ ARG A 115 -6.220 8.489 -1.575 1.00 0.00 C ATOM 1648 NH1 ARG A 115 -4.923 8.214 -1.387 1.00 0.00 N ATOM 1649 NH2 ARG A 115 -6.580 9.625 -2.181 1.00 0.00 N ATOM 0 H ARG A 115 -7.747 6.599 3.354 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.111 4.602 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -5.468 5.780 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.564 4.819 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.246 7.321 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.583 7.414 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.138 5.818 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.810 5.813 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.127 7.839 -1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.648 7.353 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.211 8.865 -1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.568 9.841 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.867 10.276 -2.510 1.00 0.00 H new ATOM 1663 N THR A 116 -7.041 2.371 2.130 1.00 0.00 N ATOM 1664 CA THR A 116 -6.761 0.986 2.481 1.00 0.00 C ATOM 1665 C THR A 116 -5.542 0.483 1.716 1.00 0.00 C ATOM 1666 O THR A 116 -5.628 0.197 0.524 1.00 0.00 O ATOM 1667 CB THR A 116 -8.020 0.156 2.187 1.00 0.00 C ATOM 1668 OG1 THR A 116 -8.975 0.476 3.177 1.00 0.00 O ATOM 1669 CG2 THR A 116 -7.801 -1.364 2.164 1.00 0.00 C ATOM 0 H THR A 116 -7.370 2.482 1.171 1.00 0.00 H new ATOM 0 HA THR A 116 -6.520 0.894 3.540 1.00 0.00 H new ATOM 0 HB THR A 116 -8.348 0.412 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.699 0.091 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.745 -1.864 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.073 -1.615 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.429 -1.693 3.134 1.00 0.00 H new ATOM 1677 N LEU A 117 -4.396 0.357 2.388 1.00 0.00 N ATOM 1678 CA LEU A 117 -3.277 -0.364 1.801 1.00 0.00 C ATOM 1679 C LEU A 117 -3.605 -1.852 1.835 1.00 0.00 C ATOM 1680 O LEU A 117 -4.332 -2.309 2.721 1.00 0.00 O ATOM 1681 CB LEU A 117 -1.961 -0.105 2.546 1.00 0.00 C ATOM 1682 CG LEU A 117 -1.319 1.236 2.169 1.00 0.00 C ATOM 1683 CD1 LEU A 117 -1.831 2.369 3.062 1.00 0.00 C ATOM 1684 CD2 LEU A 117 0.206 1.137 2.276 1.00 0.00 C ATOM 0 H LEU A 117 -4.224 0.737 3.319 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.135 -0.014 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.147 -0.125 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.261 -0.912 2.329 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.597 1.464 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.357 3.306 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.912 2.459 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.590 2.150 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.653 2.094 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.483 0.883 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.569 0.364 1.599 1.00 0.00 H new ATOM 1696 N VAL A 118 -3.050 -2.601 0.881 1.00 0.00 N ATOM 1697 CA VAL A 118 -3.079 -4.047 0.870 1.00 0.00 C ATOM 1698 C VAL A 118 -1.635 -4.500 0.647 1.00 0.00 C ATOM 1699 O VAL A 118 -0.925 -3.903 -0.161 1.00 0.00 O ATOM 1700 CB VAL A 118 -4.082 -4.550 -0.193 1.00 0.00 C ATOM 1701 CG1 VAL A 118 -4.158 -6.070 -0.155 1.00 0.00 C ATOM 1702 CG2 VAL A 118 -5.497 -3.949 -0.111 1.00 0.00 C ATOM 0 H VAL A 118 -2.559 -2.201 0.081 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.436 -4.476 1.806 1.00 0.00 H new ATOM 0 HB VAL A 118 -3.684 -4.199 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.867 -6.418 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.173 -6.489 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.488 -6.393 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.118 -4.370 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.936 -4.183 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.440 -2.867 -0.232 1.00 0.00 H new ATOM 1712 N VAL A 119 -1.183 -5.512 1.394 1.00 0.00 N ATOM 1713 CA VAL A 119 0.105 -6.151 1.171 1.00 0.00 C ATOM 1714 C VAL A 119 -0.138 -7.455 0.413 1.00 0.00 C ATOM 1715 O VAL A 119 -0.994 -8.265 0.776 1.00 0.00 O ATOM 1716 CB VAL A 119 0.914 -6.305 2.473 1.00 0.00 C ATOM 1717 CG1 VAL A 119 0.187 -7.082 3.574 1.00 0.00 C ATOM 1718 CG2 VAL A 119 2.274 -6.957 2.189 1.00 0.00 C ATOM 0 H VAL A 119 -1.708 -5.909 2.173 1.00 0.00 H new ATOM 0 HA VAL A 119 0.743 -5.519 0.554 1.00 0.00 H new ATOM 0 HB VAL A 119 1.052 -5.292 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.824 -7.145 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.739 -6.568 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.043 -8.087 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.831 -7.057 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.120 -7.943 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.838 -6.334 1.494 1.00 0.00 H new ATOM 1728 N HIS A 120 0.588 -7.611 -0.691 1.00 0.00 N ATOM 1729 CA HIS A 120 0.488 -8.745 -1.593 1.00 0.00 C ATOM 1730 C HIS A 120 1.521 -9.826 -1.259 1.00 0.00 C ATOM 1731 O HIS A 120 2.499 -9.589 -0.548 1.00 0.00 O ATOM 1732 CB HIS A 120 0.679 -8.255 -3.026 1.00 0.00 C ATOM 1733 CG HIS A 120 -0.390 -7.307 -3.507 1.00 0.00 C ATOM 1734 ND1 HIS A 120 -1.546 -7.702 -4.110 1.00 0.00 N ATOM 1735 CD2 HIS A 120 -0.329 -5.942 -3.470 1.00 0.00 C ATOM 1736 CE1 HIS A 120 -2.208 -6.619 -4.516 1.00 0.00 C ATOM 1737 NE2 HIS A 120 -1.488 -5.537 -4.153 1.00 0.00 N ATOM 0 H HIS A 120 1.284 -6.927 -0.988 1.00 0.00 H new ATOM 0 HA HIS A 120 -0.498 -9.195 -1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 120 1.647 -7.760 -3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 120 0.709 -9.118 -3.691 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -1.854 -8.667 -4.231 1.00 0.00 H new ATOM 0 HD2 HIS A 120 0.432 -5.321 -3.021 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -3.152 -6.609 -5.041 1.00 0.00 H new ATOM 1745 N GLU A 121 1.302 -11.031 -1.792 1.00 0.00 N ATOM 1746 CA GLU A 121 2.172 -12.171 -1.561 1.00 0.00 C ATOM 1747 C GLU A 121 3.447 -12.044 -2.376 1.00 0.00 C ATOM 1748 O GLU A 121 4.539 -11.994 -1.827 1.00 0.00 O ATOM 1749 CB GLU A 121 1.443 -13.468 -1.923 1.00 0.00 C ATOM 1750 CG GLU A 121 2.249 -14.696 -1.483 1.00 0.00 C ATOM 1751 CD GLU A 121 1.630 -15.959 -2.059 1.00 0.00 C ATOM 1752 OE1 GLU A 121 0.707 -16.481 -1.403 1.00 0.00 O ATOM 1753 OE2 GLU A 121 2.071 -16.340 -3.166 1.00 0.00 O ATOM 0 H GLU A 121 0.509 -11.237 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 121 2.439 -12.195 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.463 -13.483 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.275 -13.506 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.282 -14.602 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.271 -14.756 -0.395 1.00 0.00 H new ATOM 1760 N LYS A 122 3.315 -12.047 -3.690 1.00 0.00 N ATOM 1761 CA LYS A 122 4.452 -12.057 -4.577 1.00 0.00 C ATOM 1762 C LYS A 122 4.825 -10.629 -4.942 1.00 0.00 C ATOM 1763 O LYS A 122 4.162 -9.661 -4.557 1.00 0.00 O ATOM 1764 CB LYS A 122 4.119 -12.952 -5.771 1.00 0.00 C ATOM 1765 CG LYS A 122 4.015 -14.397 -5.250 1.00 0.00 C ATOM 1766 CD LYS A 122 3.618 -15.388 -6.350 1.00 0.00 C ATOM 1767 CE LYS A 122 4.773 -15.651 -7.326 1.00 0.00 C ATOM 1768 NZ LYS A 122 4.375 -16.565 -8.416 1.00 0.00 N ATOM 0 H LYS A 122 2.414 -12.043 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 122 5.339 -12.478 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.181 -12.642 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.892 -12.875 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.972 -14.696 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.281 -14.438 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.305 -16.328 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.761 -14.998 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.112 -14.706 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.617 -16.078 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.182 -16.717 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.075 -17.476 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.587 -16.146 -8.950 1.00 0.00 H new ATOM 1782 N ALA A 123 5.942 -10.500 -5.648 1.00 0.00 N ATOM 1783 CA ALA A 123 6.468 -9.210 -6.023 1.00 0.00 C ATOM 1784 C ALA A 123 5.555 -8.582 -7.072 1.00 0.00 C ATOM 1785 O ALA A 123 5.091 -9.273 -7.977 1.00 0.00 O ATOM 1786 CB ALA A 123 7.871 -9.389 -6.605 1.00 0.00 C ATOM 0 H ALA A 123 6.501 -11.289 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 123 6.517 -8.561 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 123 8.273 -8.417 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.520 -9.845 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.821 -10.033 -7.483 1.00 0.00 H new ATOM 1792 N ASP A 124 5.320 -7.275 -6.962 1.00 0.00 N ATOM 1793 CA ASP A 124 4.676 -6.513 -8.012 1.00 0.00 C ATOM 1794 C ASP A 124 5.476 -6.664 -9.309 1.00 0.00 C ATOM 1795 O ASP A 124 6.665 -6.343 -9.333 1.00 0.00 O ATOM 1796 CB ASP A 124 4.611 -5.053 -7.565 1.00 0.00 C ATOM 1797 CG ASP A 124 3.853 -4.167 -8.533 1.00 0.00 C ATOM 1798 OD1 ASP A 124 3.690 -4.540 -9.714 1.00 0.00 O ATOM 1799 OD2 ASP A 124 3.372 -3.125 -8.046 1.00 0.00 O ATOM 0 H ASP A 124 5.573 -6.723 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 124 3.665 -6.875 -8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.136 -5.000 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.625 -4.670 -7.449 1.00 0.00 H new ATOM 1804 N ASP A 125 4.818 -7.160 -10.357 1.00 0.00 N ATOM 1805 CA ASP A 125 5.358 -7.374 -11.697 1.00 0.00 C ATOM 1806 C ASP A 125 5.592 -6.059 -12.472 1.00 0.00 C ATOM 1807 O ASP A 125 6.146 -6.078 -13.569 1.00 0.00 O ATOM 1808 CB ASP A 125 4.389 -8.341 -12.404 1.00 0.00 C ATOM 1809 CG ASP A 125 4.387 -8.276 -13.915 1.00 0.00 C ATOM 1810 OD1 ASP A 125 5.260 -8.904 -14.544 1.00 0.00 O ATOM 1811 OD2 ASP A 125 3.454 -7.617 -14.427 1.00 0.00 O ATOM 0 H ASP A 125 3.839 -7.438 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 125 6.356 -7.810 -11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.636 -9.359 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.379 -8.139 -12.048 1.00 0.00 H new ATOM 1816 N LEU A 126 5.183 -4.904 -11.927 1.00 0.00 N ATOM 1817 CA LEU A 126 5.200 -3.604 -12.604 1.00 0.00 C ATOM 1818 C LEU A 126 4.253 -3.625 -13.809 1.00 0.00 C ATOM 1819 O LEU A 126 4.409 -2.842 -14.743 1.00 0.00 O ATOM 1820 CB LEU A 126 6.623 -3.140 -13.003 1.00 0.00 C ATOM 1821 CG LEU A 126 7.563 -2.698 -11.868 1.00 0.00 C ATOM 1822 CD1 LEU A 126 7.106 -1.378 -11.249 1.00 0.00 C ATOM 1823 CD2 LEU A 126 7.740 -3.742 -10.766 1.00 0.00 C ATOM 0 H LEU A 126 4.821 -4.850 -10.975 1.00 0.00 H new ATOM 0 HA LEU A 126 4.844 -2.864 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU A 126 7.105 -3.955 -13.543 1.00 0.00 H new ATOM 0 HB3 LEU A 126 6.524 -2.310 -13.702 1.00 0.00 H new ATOM 0 HG LEU A 126 8.535 -2.568 -12.344 1.00 0.00 H new ATOM 0 HD11 LEU A 126 7.791 -1.094 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.098 -0.601 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.102 -1.496 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 126 8.416 -3.355 -10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.773 -3.962 -10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 126 8.158 -4.654 -11.193 1.00 0.00 H new ATOM 1835 N GLY A 127 3.254 -4.508 -13.778 1.00 0.00 N ATOM 1836 CA GLY A 127 2.234 -4.634 -14.798 1.00 0.00 C ATOM 1837 C GLY A 127 2.816 -4.872 -16.190 1.00 0.00 C ATOM 1838 O GLY A 127 2.399 -4.244 -17.162 1.00 0.00 O ATOM 0 H GLY A 127 3.136 -5.173 -13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 127 1.569 -5.459 -14.541 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.627 -3.729 -14.813 1.00 0.00 H new ATOM 1842 N LYS A 128 3.773 -5.794 -16.273 1.00 0.00 N ATOM 1843 CA LYS A 128 4.439 -6.231 -17.490 1.00 0.00 C ATOM 1844 C LYS A 128 3.964 -7.623 -17.917 1.00 0.00 C ATOM 1845 O LYS A 128 4.188 -8.003 -19.065 1.00 0.00 O ATOM 1846 CB LYS A 128 5.963 -6.223 -17.268 1.00 0.00 C ATOM 1847 CG LYS A 128 6.529 -4.875 -16.783 1.00 0.00 C ATOM 1848 CD LYS A 128 6.646 -3.824 -17.901 1.00 0.00 C ATOM 1849 CE LYS A 128 6.853 -2.418 -17.301 1.00 0.00 C ATOM 1850 NZ LYS A 128 6.993 -1.351 -18.324 1.00 0.00 N ATOM 0 H LYS A 128 4.121 -6.280 -15.446 1.00 0.00 H new ATOM 0 HA LYS A 128 4.185 -5.540 -18.294 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.216 -6.993 -16.539 1.00 0.00 H new ATOM 0 HB3 LYS A 128 6.455 -6.495 -18.202 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.889 -4.484 -15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 128 7.513 -5.039 -16.344 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.481 -4.073 -18.556 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.745 -3.835 -18.514 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.009 -2.180 -16.653 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.744 -2.427 -16.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 7.129 -0.434 -17.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.815 -1.555 -18.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 6.134 -1.316 -18.909 1.00 0.00 H new ATOM 1864 N GLY A 129 3.292 -8.367 -17.030 1.00 0.00 N ATOM 1865 CA GLY A 129 2.740 -9.684 -17.321 1.00 0.00 C ATOM 1866 C GLY A 129 1.929 -9.677 -18.616 1.00 0.00 C ATOM 1867 O GLY A 129 2.002 -10.612 -19.408 1.00 0.00 O ATOM 0 H GLY A 129 3.117 -8.059 -16.073 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.550 -10.409 -17.401 1.00 0.00 H new ATOM 0 HA3 GLY A 129 2.106 -10.005 -16.495 1.00 0.00 H new ATOM 1871 N GLY A 130 1.161 -8.607 -18.828 1.00 0.00 N ATOM 1872 CA GLY A 130 0.410 -8.390 -20.049 1.00 0.00 C ATOM 1873 C GLY A 130 -0.949 -9.069 -19.967 1.00 0.00 C ATOM 1874 O GLY A 130 -1.467 -9.545 -20.975 1.00 0.00 O ATOM 0 H GLY A 130 1.047 -7.861 -18.142 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.279 -7.321 -20.217 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.968 -8.781 -20.900 1.00 0.00 H new ATOM 1878 N ASN A 131 -1.551 -9.083 -18.773 1.00 0.00 N ATOM 1879 CA ASN A 131 -2.933 -9.519 -18.598 1.00 0.00 C ATOM 1880 C ASN A 131 -3.594 -8.590 -17.595 1.00 0.00 C ATOM 1881 O ASN A 131 -2.896 -7.832 -16.916 1.00 0.00 O ATOM 1882 CB ASN A 131 -3.052 -11.001 -18.185 1.00 0.00 C ATOM 1883 CG ASN A 131 -1.758 -11.635 -17.684 1.00 0.00 C ATOM 1884 OD1 ASN A 131 -1.172 -12.479 -18.351 1.00 0.00 O ATOM 1885 ND2 ASN A 131 -1.299 -11.256 -16.496 1.00 0.00 N ATOM 0 H ASN A 131 -1.094 -8.794 -17.908 1.00 0.00 H new ATOM 0 HA ASN A 131 -3.448 -9.460 -19.557 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -3.807 -11.086 -17.403 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -3.413 -11.573 -19.040 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -0.444 -11.669 -16.124 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -1.802 -10.552 -15.956 1.00 0.00 H new ATOM 1892 N GLU A 132 -4.926 -8.644 -17.511 1.00 0.00 N ATOM 1893 CA GLU A 132 -5.728 -7.754 -16.685 1.00 0.00 C ATOM 1894 C GLU A 132 -5.047 -7.516 -15.336 1.00 0.00 C ATOM 1895 O GLU A 132 -4.611 -6.404 -15.058 1.00 0.00 O ATOM 1896 CB GLU A 132 -7.160 -8.300 -16.549 1.00 0.00 C ATOM 1897 CG GLU A 132 -8.186 -7.271 -17.039 1.00 0.00 C ATOM 1898 CD GLU A 132 -9.607 -7.775 -16.834 1.00 0.00 C ATOM 1899 OE1 GLU A 132 -9.986 -7.883 -15.646 1.00 0.00 O ATOM 1900 OE2 GLU A 132 -10.275 -8.046 -17.850 1.00 0.00 O ATOM 0 H GLU A 132 -5.483 -9.324 -18.028 1.00 0.00 H new ATOM 0 HA GLU A 132 -5.807 -6.780 -17.168 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.259 -9.221 -17.124 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.360 -8.552 -15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.049 -6.332 -16.503 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.020 -7.062 -18.096 1.00 0.00 H new ATOM 1907 N GLU A 133 -4.854 -8.569 -14.545 1.00 0.00 N ATOM 1908 CA GLU A 133 -4.252 -8.491 -13.218 1.00 0.00 C ATOM 1909 C GLU A 133 -2.815 -7.956 -13.189 1.00 0.00 C ATOM 1910 O GLU A 133 -2.391 -7.455 -12.145 1.00 0.00 O ATOM 1911 CB GLU A 133 -4.390 -9.850 -12.521 1.00 0.00 C ATOM 1912 CG GLU A 133 -5.567 -9.843 -11.528 1.00 0.00 C ATOM 1913 CD GLU A 133 -6.845 -9.223 -12.084 1.00 0.00 C ATOM 1914 OE1 GLU A 133 -7.248 -9.559 -13.215 1.00 0.00 O ATOM 1915 OE2 GLU A 133 -7.423 -8.335 -11.420 1.00 0.00 O ATOM 0 H GLU A 133 -5.117 -9.517 -14.814 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.807 -7.736 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -4.542 -10.631 -13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -3.466 -10.088 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.776 -10.868 -11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.270 -9.297 -10.633 1.00 0.00 H new ATOM 1922 N SER A 134 -2.059 -8.021 -14.291 1.00 0.00 N ATOM 1923 CA SER A 134 -0.800 -7.307 -14.386 1.00 0.00 C ATOM 1924 C SER A 134 -1.131 -5.813 -14.459 1.00 0.00 C ATOM 1925 O SER A 134 -0.668 -5.026 -13.640 1.00 0.00 O ATOM 1926 CB SER A 134 0.097 -7.843 -15.517 1.00 0.00 C ATOM 1927 OG SER A 134 -0.271 -7.411 -16.810 1.00 0.00 O ATOM 0 H SER A 134 -2.304 -8.561 -15.121 1.00 0.00 H new ATOM 0 HA SER A 134 -0.182 -7.473 -13.503 1.00 0.00 H new ATOM 0 HB2 SER A 134 1.125 -7.537 -15.324 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.079 -8.933 -15.493 1.00 0.00 H new ATOM 0 HG SER A 134 -1.244 -7.307 -16.855 1.00 0.00 H new ATOM 1933 N THR A 135 -2.016 -5.426 -15.380 1.00 0.00 N ATOM 1934 CA THR A 135 -2.355 -4.023 -15.594 1.00 0.00 C ATOM 1935 C THR A 135 -3.228 -3.430 -14.473 1.00 0.00 C ATOM 1936 O THR A 135 -3.360 -2.209 -14.391 1.00 0.00 O ATOM 1937 CB THR A 135 -3.006 -3.842 -16.974 1.00 0.00 C ATOM 1938 OG1 THR A 135 -4.227 -4.545 -17.071 1.00 0.00 O ATOM 1939 CG2 THR A 135 -2.084 -4.323 -18.099 1.00 0.00 C ATOM 0 H THR A 135 -2.513 -6.073 -15.993 1.00 0.00 H new ATOM 0 HA THR A 135 -1.423 -3.459 -15.565 1.00 0.00 H new ATOM 0 HB THR A 135 -3.191 -2.773 -17.083 1.00 0.00 H new ATOM 0 HG1 THR A 135 -4.340 -5.114 -16.281 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.578 -4.180 -19.060 1.00 0.00 H new ATOM 0 HG22 THR A 135 -1.156 -3.751 -18.079 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.861 -5.381 -17.960 1.00 0.00 H new ATOM 1947 N LYS A 136 -3.808 -4.279 -13.616 1.00 0.00 N ATOM 1948 CA LYS A 136 -4.658 -3.905 -12.490 1.00 0.00 C ATOM 1949 C LYS A 136 -3.862 -3.906 -11.185 1.00 0.00 C ATOM 1950 O LYS A 136 -4.009 -2.979 -10.390 1.00 0.00 O ATOM 1951 CB LYS A 136 -5.837 -4.885 -12.362 1.00 0.00 C ATOM 1952 CG LYS A 136 -7.202 -4.206 -12.540 1.00 0.00 C ATOM 1953 CD LYS A 136 -8.331 -5.230 -12.345 1.00 0.00 C ATOM 1954 CE LYS A 136 -8.512 -6.123 -13.584 1.00 0.00 C ATOM 1955 NZ LYS A 136 -9.129 -7.424 -13.264 1.00 0.00 N ATOM 0 H LYS A 136 -3.689 -5.289 -13.696 1.00 0.00 H new ATOM 0 HA LYS A 136 -5.037 -2.900 -12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -5.730 -5.674 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -5.800 -5.364 -11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -7.309 -3.394 -11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -7.270 -3.763 -13.534 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -8.112 -5.852 -11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.264 -4.707 -12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.131 -5.602 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -7.541 -6.291 -14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.999 -8.076 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -8.679 -7.822 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -10.145 -7.292 -13.087 1.00 0.00 H new ATOM 1969 N THR A 137 -3.067 -4.955 -10.932 1.00 0.00 N ATOM 1970 CA THR A 137 -2.332 -5.079 -9.678 1.00 0.00 C ATOM 1971 C THR A 137 -0.857 -5.440 -9.809 1.00 0.00 C ATOM 1972 O THR A 137 -0.149 -5.443 -8.801 1.00 0.00 O ATOM 1973 CB THR A 137 -3.005 -6.046 -8.703 1.00 0.00 C ATOM 1974 OG1 THR A 137 -2.860 -7.381 -9.153 1.00 0.00 O ATOM 1975 CG2 THR A 137 -4.490 -5.755 -8.467 1.00 0.00 C ATOM 0 H THR A 137 -2.920 -5.727 -11.583 1.00 0.00 H new ATOM 0 HA THR A 137 -2.363 -4.065 -9.280 1.00 0.00 H new ATOM 0 HB THR A 137 -2.497 -5.903 -7.749 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.727 -7.386 -10.124 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.896 -6.483 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 137 -4.603 -4.752 -8.056 1.00 0.00 H new ATOM 0 HG23 THR A 137 -5.029 -5.823 -9.412 1.00 0.00 H new ATOM 1983 N GLY A 138 -0.398 -5.781 -11.010 1.00 0.00 N ATOM 1984 CA GLY A 138 0.939 -6.312 -11.194 1.00 0.00 C ATOM 1985 C GLY A 138 1.033 -7.744 -10.684 1.00 0.00 C ATOM 1986 O GLY A 138 2.066 -8.126 -10.139 1.00 0.00 O ATOM 0 H GLY A 138 -0.939 -5.697 -11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.204 -6.280 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 138 1.658 -5.686 -10.666 1.00 0.00 H new ATOM 1990 N ASN A 139 -0.053 -8.516 -10.847 1.00 0.00 N ATOM 1991 CA ASN A 139 -0.145 -9.947 -10.546 1.00 0.00 C ATOM 1992 C ASN A 139 0.527 -10.298 -9.213 1.00 0.00 C ATOM 1993 O ASN A 139 1.162 -11.339 -9.056 1.00 0.00 O ATOM 1994 CB ASN A 139 0.424 -10.749 -11.732 1.00 0.00 C ATOM 1995 CG ASN A 139 -0.602 -11.738 -12.268 1.00 0.00 C ATOM 1996 OD1 ASN A 139 -1.145 -12.554 -11.532 1.00 0.00 O ATOM 1997 ND2 ASN A 139 -0.902 -11.647 -13.560 1.00 0.00 N ATOM 0 H ASN A 139 -0.929 -8.139 -11.209 1.00 0.00 H new ATOM 0 HA ASN A 139 -1.192 -10.220 -10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 139 0.724 -10.066 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN A 139 1.320 -11.284 -11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -1.603 -12.267 -13.966 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -0.432 -10.957 -14.145 1.00 0.00 H new ATOM 2004 N ALA A 140 0.359 -9.412 -8.232 1.00 0.00 N ATOM 2005 CA ALA A 140 1.150 -9.426 -7.022 1.00 0.00 C ATOM 2006 C ALA A 140 0.668 -10.449 -6.002 1.00 0.00 C ATOM 2007 O ALA A 140 1.444 -10.860 -5.153 1.00 0.00 O ATOM 2008 CB ALA A 140 1.169 -8.010 -6.451 1.00 0.00 C ATOM 0 H ALA A 140 -0.335 -8.665 -8.263 1.00 0.00 H new ATOM 0 HA ALA A 140 2.164 -9.742 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 140 1.761 -7.995 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.610 -7.330 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.150 -7.693 -6.229 1.00 0.00 H new ATOM 2014 N GLY A 141 -0.603 -10.848 -6.019 1.00 0.00 N ATOM 2015 CA GLY A 141 -1.118 -11.824 -5.076 1.00 0.00 C ATOM 2016 C GLY A 141 -2.443 -11.384 -4.477 1.00 0.00 C ATOM 2017 O GLY A 141 -2.748 -10.192 -4.391 1.00 0.00 O ATOM 0 H GLY A 141 -1.296 -10.503 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -1.247 -12.783 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.391 -11.977 -4.278 1.00 0.00 H new ATOM 2021 N SER A 142 -3.213 -12.374 -4.048 1.00 0.00 N ATOM 2022 CA SER A 142 -4.601 -12.263 -3.628 1.00 0.00 C ATOM 2023 C SER A 142 -4.802 -11.593 -2.262 1.00 0.00 C ATOM 2024 O SER A 142 -5.440 -12.172 -1.390 1.00 0.00 O ATOM 2025 CB SER A 142 -5.208 -13.670 -3.654 1.00 0.00 C ATOM 2026 OG SER A 142 -4.814 -14.315 -4.853 1.00 0.00 O ATOM 0 H SER A 142 -2.865 -13.330 -3.980 1.00 0.00 H new ATOM 0 HA SER A 142 -5.111 -11.598 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 142 -4.872 -14.242 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 142 -6.295 -13.613 -3.595 1.00 0.00 H new ATOM 0 HG SER A 142 -5.195 -15.217 -4.880 1.00 0.00 H new ATOM 2032 N ARG A 143 -4.306 -10.362 -2.102 1.00 0.00 N ATOM 2033 CA ARG A 143 -4.621 -9.477 -0.986 1.00 0.00 C ATOM 2034 C ARG A 143 -4.396 -10.129 0.390 1.00 0.00 C ATOM 2035 O ARG A 143 -5.360 -10.411 1.096 1.00 0.00 O ATOM 2036 CB ARG A 143 -6.083 -9.005 -1.138 1.00 0.00 C ATOM 2037 CG ARG A 143 -6.436 -8.442 -2.527 1.00 0.00 C ATOM 2038 CD ARG A 143 -7.953 -8.238 -2.640 1.00 0.00 C ATOM 2039 NE ARG A 143 -8.343 -7.851 -4.007 1.00 0.00 N ATOM 2040 CZ ARG A 143 -9.534 -8.106 -4.577 1.00 0.00 C ATOM 2041 NH1 ARG A 143 -10.542 -8.598 -3.847 1.00 0.00 N ATOM 2042 NH2 ARG A 143 -9.698 -7.895 -5.889 1.00 0.00 N ATOM 0 H ARG A 143 -3.655 -9.945 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.937 -8.629 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -6.745 -9.843 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -6.283 -8.239 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.920 -7.495 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.094 -9.126 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -8.467 -9.157 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -8.271 -7.468 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 143 -7.654 -7.349 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -10.409 -8.782 -2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -11.443 -8.789 -4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -8.922 -7.543 -6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.599 -8.086 -6.328 1.00 0.00 H new ATOM 2056 N LEU A 144 -3.140 -10.361 0.796 1.00 0.00 N ATOM 2057 CA LEU A 144 -2.881 -11.123 2.019 1.00 0.00 C ATOM 2058 C LEU A 144 -3.439 -10.449 3.274 1.00 0.00 C ATOM 2059 O LEU A 144 -4.136 -11.080 4.067 1.00 0.00 O ATOM 2060 CB LEU A 144 -1.382 -11.353 2.232 1.00 0.00 C ATOM 2061 CG LEU A 144 -0.681 -12.172 1.145 1.00 0.00 C ATOM 2062 CD1 LEU A 144 0.736 -12.456 1.645 1.00 0.00 C ATOM 2063 CD2 LEU A 144 -1.379 -13.506 0.875 1.00 0.00 C ATOM 0 H LEU A 144 -2.306 -10.039 0.306 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.394 -12.074 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -0.890 -10.383 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -1.241 -11.856 3.189 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.694 -11.606 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.275 -13.040 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.258 -11.514 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 144 0.687 -13.017 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.841 -14.047 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.391 -14.101 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.402 -13.322 0.548 1.00 0.00 H new ATOM 2075 N ALA A 145 -3.064 -9.187 3.490 1.00 0.00 N ATOM 2076 CA ALA A 145 -3.445 -8.423 4.667 1.00 0.00 C ATOM 2077 C ALA A 145 -3.621 -6.970 4.246 1.00 0.00 C ATOM 2078 O ALA A 145 -3.090 -6.557 3.213 1.00 0.00 O ATOM 2079 CB ALA A 145 -2.405 -8.597 5.778 1.00 0.00 C ATOM 0 H ALA A 145 -2.478 -8.664 2.839 1.00 0.00 H new ATOM 0 HA ALA A 145 -4.388 -8.783 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -2.706 -8.019 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.333 -9.651 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -1.435 -8.246 5.427 1.00 0.00 H new ATOM 2085 N CYS A 146 -4.402 -6.213 5.016 1.00 0.00 N ATOM 2086 CA CYS A 146 -4.891 -4.901 4.632 1.00 0.00 C ATOM 2087 C CYS A 146 -5.564 -4.241 5.827 1.00 0.00 C ATOM 2088 O CYS A 146 -5.738 -4.875 6.864 1.00 0.00 O ATOM 2089 CB CYS A 146 -5.887 -5.037 3.474 1.00 0.00 C ATOM 2090 SG CYS A 146 -6.712 -6.629 3.258 1.00 0.00 S ATOM 0 H CYS A 146 -4.715 -6.506 5.941 1.00 0.00 H new ATOM 0 HA CYS A 146 -4.055 -4.282 4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -6.656 -4.275 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -5.359 -4.805 2.549 1.00 0.00 H new ATOM 2095 N GLY A 147 -5.913 -2.960 5.710 1.00 0.00 N ATOM 2096 CA GLY A 147 -6.529 -2.230 6.807 1.00 0.00 C ATOM 2097 C GLY A 147 -7.074 -0.894 6.320 1.00 0.00 C ATOM 2098 O GLY A 147 -7.685 -0.825 5.257 1.00 0.00 O ATOM 0 H GLY A 147 -5.777 -2.409 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -7.336 -2.823 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -5.797 -2.064 7.598 1.00 0.00 H new ATOM 2102 N LYS A 148 -6.843 0.175 7.083 1.00 0.00 N ATOM 2103 CA LYS A 148 -7.277 1.518 6.740 1.00 0.00 C ATOM 2104 C LYS A 148 -6.349 2.508 7.433 1.00 0.00 C ATOM 2105 O LYS A 148 -5.872 2.213 8.529 1.00 0.00 O ATOM 2106 CB LYS A 148 -8.750 1.720 7.132 1.00 0.00 C ATOM 2107 CG LYS A 148 -9.081 1.376 8.595 1.00 0.00 C ATOM 2108 CD LYS A 148 -10.607 1.369 8.761 1.00 0.00 C ATOM 2109 CE LYS A 148 -11.050 0.858 10.142 1.00 0.00 C ATOM 2110 NZ LYS A 148 -12.493 0.518 10.182 1.00 0.00 N ATOM 0 H LYS A 148 -6.341 0.125 7.969 1.00 0.00 H new ATOM 0 HA LYS A 148 -7.220 1.681 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -9.021 2.759 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -9.372 1.108 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.667 0.403 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.630 2.106 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -10.989 2.379 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -11.050 0.743 7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -10.464 -0.023 10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -10.838 1.619 10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -12.804 0.442 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -13.039 1.263 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -12.649 -0.390 9.699 1.00 0.00 H new ATOM 2124 N ILE A 149 -6.100 3.667 6.818 1.00 0.00 N ATOM 2125 CA ILE A 149 -5.269 4.700 7.420 1.00 0.00 C ATOM 2126 C ILE A 149 -6.139 5.448 8.431 1.00 0.00 C ATOM 2127 O ILE A 149 -7.059 6.171 8.053 1.00 0.00 O ATOM 2128 CB ILE A 149 -4.693 5.651 6.348 1.00 0.00 C ATOM 2129 CG1 ILE A 149 -3.707 4.917 5.426 1.00 0.00 C ATOM 2130 CG2 ILE A 149 -3.976 6.842 7.004 1.00 0.00 C ATOM 2131 CD1 ILE A 149 -3.002 5.809 4.396 1.00 0.00 C ATOM 0 H ILE A 149 -6.467 3.910 5.898 1.00 0.00 H new ATOM 0 HA ILE A 149 -4.409 4.256 7.921 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.532 6.014 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -2.951 4.429 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -4.244 4.130 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -3.578 7.498 6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -4.682 7.396 7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -3.158 6.477 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -2.327 5.203 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.745 6.277 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -2.432 6.581 4.913 1.00 0.00 H new ATOM 2143 N GLY A 150 -5.839 5.272 9.716 1.00 0.00 N ATOM 2144 CA GLY A 150 -6.447 5.988 10.821 1.00 0.00 C ATOM 2145 C GLY A 150 -5.554 7.161 11.222 1.00 0.00 C ATOM 2146 O GLY A 150 -4.350 6.993 11.413 1.00 0.00 O ATOM 0 H GLY A 150 -5.137 4.598 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -7.434 6.350 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -6.588 5.318 11.669 1.00 0.00 H new ATOM 2150 N LYS A 151 -6.147 8.350 11.349 1.00 0.00 N ATOM 2151 CA LYS A 151 -5.510 9.539 11.889 1.00 0.00 C ATOM 2152 C LYS A 151 -4.914 9.209 13.259 1.00 0.00 C ATOM 2153 O LYS A 151 -5.617 8.686 14.121 1.00 0.00 O ATOM 2154 CB LYS A 151 -6.584 10.633 11.998 1.00 0.00 C ATOM 2155 CG LYS A 151 -6.080 11.977 12.531 1.00 0.00 C ATOM 2156 CD LYS A 151 -7.251 12.953 12.702 1.00 0.00 C ATOM 2157 CE LYS A 151 -6.857 14.272 13.387 1.00 0.00 C ATOM 2158 NZ LYS A 151 -8.022 15.160 13.590 1.00 0.00 N ATOM 0 H LYS A 151 -7.114 8.510 11.068 1.00 0.00 H new ATOM 0 HA LYS A 151 -4.702 9.887 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -7.023 10.790 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -7.382 10.276 12.649 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -5.576 11.831 13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -5.345 12.396 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 151 -7.675 13.174 11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -8.034 12.469 13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 151 -6.393 14.056 14.350 1.00 0.00 H new ATOM 0 HE3 LYS A 151 -6.110 14.786 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 -7.713 16.038 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 -8.450 15.387 12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 -8.724 14.680 14.189 1.00 0.00 H new ATOM 2172 N ALA A 152 -3.638 9.542 13.456 1.00 0.00 N ATOM 2173 CA ALA A 152 -2.945 9.380 14.728 1.00 0.00 C ATOM 2174 C ALA A 152 -2.863 10.740 15.419 1.00 0.00 C ATOM 2175 O ALA A 152 -3.282 10.852 16.567 1.00 0.00 O ATOM 2176 CB ALA A 152 -1.568 8.750 14.506 1.00 0.00 C ATOM 0 H ALA A 152 -3.050 9.938 12.722 1.00 0.00 H new ATOM 0 HA ALA A 152 -3.495 8.701 15.379 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -1.062 8.635 15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -1.686 7.773 14.038 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.974 9.393 13.857 1.00 0.00 H new ATOM 2182 N GLN A 153 -2.378 11.753 14.686 1.00 0.00 N ATOM 2183 CA GLN A 153 -2.342 13.182 14.996 1.00 0.00 C ATOM 2184 C GLN A 153 -1.097 13.778 14.339 1.00 0.00 C ATOM 2185 O GLN A 153 -0.031 13.808 14.986 1.00 0.00 O ATOM 2186 CB GLN A 153 -2.447 13.525 16.493 1.00 0.00 C ATOM 2187 CG GLN A 153 -2.386 15.040 16.721 1.00 0.00 C ATOM 2188 CD GLN A 153 -2.773 15.402 18.148 1.00 0.00 C ATOM 2189 OE1 GLN A 153 -3.851 15.935 18.387 1.00 0.00 O ATOM 2190 NE2 GLN A 153 -1.900 15.117 19.109 1.00 0.00 N ATOM 2191 OXT GLN A 153 -1.232 14.192 13.165 1.00 0.00 O ATOM 0 H GLN A 153 -1.962 11.569 13.773 1.00 0.00 H new ATOM 0 HA GLN A 153 -3.243 13.637 14.583 1.00 0.00 H new ATOM 0 HB2 GLN A 153 -3.381 13.132 16.894 1.00 0.00 H new ATOM 0 HB3 GLN A 153 -1.637 13.040 17.038 1.00 0.00 H new ATOM 0 HG2 GLN A 153 -1.379 15.401 16.513 1.00 0.00 H new ATOM 0 HG3 GLN A 153 -3.055 15.542 16.022 1.00 0.00 H new ATOM 0 HE21 GLN A 153 -1.012 14.673 18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 153 -2.118 15.342 20.080 1.00 0.00 H new TER 2200 GLN A 153 HETATM 2201 CU CU A 154 -1.800 -3.449 -3.609 1.00 0.00 CU HETATM 2202 ZN ZN A 155 -1.267 -0.077 -9.502 1.00 0.00 ZN CONECT 678 2201 CONECT 714 2201 CONECT 829 2090 CONECT 896 2202 CONECT 1037 2202 CONECT 1170 2202 CONECT 1210 2202 CONECT 1211 2202 CONECT 1737 2201 CONECT 2090 829 CONECT 2201 678 714 1737 CONECT 2202 896 1037 1170 1210 CONECT 2202 1211 END