USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) HEADER VIRAL PROTEIN 02-FEB-94 1CHC TITLE STRUCTURE OF THE C3HC4 DOMAIN BY 1H-NUCLEAR MAGNETIC TITLE 2 RESONANCE SPECTROSCOPY; A NEW STRUCTURAL CLASS OF ZINC- TITLE 3 FINGER COMPND MOL_ID: 1; COMPND 2 MOLECULE: EQUINE HERPES VIRUS-1 RING DOMAIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUID HERPESVIRUS 1; SOURCE 3 ORGANISM_COMMON: EQUINE HERPESVIRUS 1; SOURCE 4 ORGANISM_TAXID: 10326 KEYWDS VIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR P.N.BARLOW,R.D.EVERETT,B.LUISI REVDAT 2 24-FEB-09 1CHC 1 VERSN REVDAT 1 30-APR-94 1CHC 0 JRNL AUTH P.N.BARLOW,B.LUISI,A.MILNER,M.ELLIOTT,R.EVERETT JRNL TITL STRUCTURE OF THE C3HC4 DOMAIN BY 1H-NUCLEAR JRNL TITL 2 MAGNETIC RESONANCE SPECTROSCOPY. A NEW STRUCTURAL JRNL TITL 3 CLASS OF ZINC-FINGER. JRNL REF J.MOL.BIOL. V. 237 201 1994 JRNL REFN ISSN 0022-2836 JRNL PMID 8126734 JRNL DOI 10.1006/JMBI.1994.1222 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.D.EVERETT,P.BARLOW,A.MILNER,B.LUISI,A.ORR,G.HOPE, REMARK 1 AUTH 2 D.LYON REMARK 1 TITL A NOVEL ARRANGEMENT OF ZINC-BINDING RESIDUES AND REMARK 1 TITL 2 SECONDARY STRUCTURE IN THE C3HC4 MOTIF OF AN ALPHA REMARK 1 TITL 3 HERPES VIRUS PROTEIN FAMILY REMARK 1 REF J.MOL.BIOL. V. 234 1038 1993 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.S.FREEMONT,I.M.HANDON,J.TROWSDALE REMARK 1 TITL A NOVEL CYSTEINE-RICH SEQUENCE MOTIF REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 64 483 1991 REMARK 1 REFN ISSN 0092-8674 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CHC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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 : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 8 CA - CB - SG ANGL. DEV. = 7.3 DEGREES REMARK 500 CYS A 11 CA - CB - SG ANGL. DEV. = 6.7 DEGREES REMARK 500 CYS A 29 CA - CB - SG ANGL. DEV. = 9.7 DEGREES REMARK 500 TYR A 30 CB - CG - CD1 ANGL. DEV. = 3.8 DEGREES REMARK 500 CYS A 32 CA - CB - SG ANGL. DEV. = 9.6 DEGREES REMARK 500 TRP A 36 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 36 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES REMARK 500 TRP A 36 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 3 63.63 -106.85 REMARK 500 ALA A 5 161.30 -44.83 REMARK 500 ARG A 7 67.74 -2.18 REMARK 500 CYS A 8 101.09 -10.25 REMARK 500 PRO A 9 -2.70 -49.10 REMARK 500 LEU A 12 60.55 64.85 REMARK 500 ASP A 14 104.81 67.85 REMARK 500 PRO A 15 46.35 -84.28 REMARK 500 SER A 16 -69.17 -22.43 REMARK 500 PRO A 23 37.39 -80.02 REMARK 500 LEU A 25 59.87 3.25 REMARK 500 VAL A 31 37.93 25.36 REMARK 500 PRO A 41 -161.22 -53.08 REMARK 500 THR A 42 79.26 47.55 REMARK 500 CYS A 43 129.28 -9.79 REMARK 500 LYS A 47 57.22 19.78 REMARK 500 VAL A 50 146.04 -24.63 REMARK 500 SER A 59 75.75 4.22 REMARK 500 SER A 61 83.10 137.09 REMARK 500 PHE A 63 179.12 64.39 REMARK 500 ASP A 65 -142.84 -118.36 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 ARG A 7 0.31 SIDE_CHAIN REMARK 500 ARG A 35 0.28 SIDE_CHAIN REMARK 500 ARG A 38 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 70 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 43 SG REMARK 620 2 CYS A 46 SG 112.7 REMARK 620 3 CYS A 24 SG 111.1 103.7 REMARK 620 4 HIS A 26 ND1 109.6 112.5 107.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 71 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 11 SG REMARK 620 2 CYS A 29 SG 111.0 REMARK 620 3 CYS A 32 SG 113.7 102.2 REMARK 620 4 CYS A 8 SG 110.8 103.1 115.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: S1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: TWO REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 70 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 71 DBREF 1CHC A 1 63 UNP P28990 ICP0_EHV1B 1 63 SEQRES 1 A 68 MET ALA THR VAL ALA GLU ARG CYS PRO ILE CYS LEU GLU SEQRES 2 A 68 ASP PRO SER ASN TYR SER MET ALA LEU PRO CYS LEU HIS SEQRES 3 A 68 ALA PHE CYS TYR VAL CYS ILE THR ARG TRP ILE ARG GLN SEQRES 4 A 68 ASN PRO THR CYS PRO LEU CYS LYS VAL PRO VAL GLU SER SEQRES 5 A 68 VAL VAL HIS THR ILE GLU SER ASP SER GLU PHE GLY ASP SEQRES 6 A 68 GLN LEU ILE HET ZN A 70 1 HET ZN A 71 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) HELIX 1 1 VAL A 31 ARG A 38 1RIGHT-HANDED 8 SHEET 1 S1 3 HIS A 26 CYS A 29 0 SHEET 2 S1 3 TYR A 18 LEU A 22 -1 SHEET 3 S1 3 SER A 52 THR A 56 -1 LINK ZN ZN A 70 SG CYS A 43 1555 1555 2.30 LINK ZN ZN A 70 SG CYS A 46 1555 1555 2.31 LINK ZN ZN A 70 SG CYS A 24 1555 1555 2.30 LINK ZN ZN A 70 ND1 HIS A 26 1555 1555 2.00 LINK ZN ZN A 71 SG CYS A 11 1555 1555 2.30 LINK ZN ZN A 71 SG CYS A 29 1555 1555 2.28 LINK ZN ZN A 71 SG CYS A 32 1555 1555 2.31 LINK ZN ZN A 71 SG CYS A 8 1555 1555 2.30 CISPEP 1 LEU A 22 PRO A 23 0 -8.22 SITE *** S1 4 CYS A 8 CYS A 11 CYS A 29 CYS A 32 SITE *** TWO 4 CYS A 24 HIS A 26 CYS A 43 CYS A 46 SITE *** AC1 4 CYS A 24 HIS A 26 CYS A 43 CYS A 46 SITE *** AC2 4 CYS A 8 CYS A 11 CYS A 29 CYS A 32 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 26 HIS HD1 : A 26 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Set 1.1: A 20 MET CE :methyl 148:sc= -0.0161 (180deg=-0.573) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 ASN : amide:sc= -1.51 K(o=-1.5,f=0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.32 (180deg=0.863) USER MOD Single : A 3 THR OG1 : rot 63:sc= 0.138 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -119:sc= 0.185 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.804 USER MOD Single : A 39 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 37:sc= 0.4 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.173) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.49) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 49:sc= 0.712 USER MOD Single : A 66 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 66.104 56.583 -35.505 1.00 0.00 N ATOM 2 CA MET A 1 66.953 57.259 -36.531 1.00 0.00 C ATOM 3 C MET A 1 67.370 56.262 -37.627 1.00 0.00 C ATOM 4 O MET A 1 67.105 55.079 -37.531 1.00 0.00 O ATOM 5 CB MET A 1 68.227 57.852 -35.867 1.00 0.00 C ATOM 6 CG MET A 1 67.848 58.995 -34.899 1.00 0.00 C ATOM 7 SD MET A 1 66.880 58.593 -33.421 1.00 0.00 S ATOM 8 CE MET A 1 68.253 58.332 -32.269 1.00 0.00 C ATOM 0 H1 MET A 1 66.256 57.031 -34.579 1.00 0.00 H new ATOM 0 H2 MET A 1 65.102 56.669 -35.772 1.00 0.00 H new ATOM 0 H3 MET A 1 66.362 55.577 -35.449 1.00 0.00 H new ATOM 0 HA MET A 1 66.369 58.062 -36.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 68.760 57.070 -35.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.904 58.227 -36.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.772 59.471 -34.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.291 59.739 -35.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.859 58.071 -31.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.885 57.522 -32.634 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.842 59.246 -32.192 1.00 0.00 H new ATOM 20 N ALA A 2 68.018 56.788 -38.637 1.00 0.00 N ATOM 21 CA ALA A 2 68.498 55.965 -39.793 1.00 0.00 C ATOM 22 C ALA A 2 70.028 56.064 -39.893 1.00 0.00 C ATOM 23 O ALA A 2 70.561 56.995 -40.466 1.00 0.00 O ATOM 24 CB ALA A 2 67.833 56.491 -41.076 1.00 0.00 C ATOM 0 H ALA A 2 68.241 57.781 -38.711 1.00 0.00 H new ATOM 0 HA ALA A 2 68.232 54.917 -39.653 1.00 0.00 H new ATOM 0 HB1 ALA A 2 68.172 55.903 -41.929 1.00 0.00 H new ATOM 0 HB2 ALA A 2 66.750 56.408 -40.985 1.00 0.00 H new ATOM 0 HB3 ALA A 2 68.105 57.536 -41.225 1.00 0.00 H new ATOM 30 N THR A 3 70.681 55.084 -39.321 1.00 0.00 N ATOM 31 CA THR A 3 72.178 55.028 -39.324 1.00 0.00 C ATOM 32 C THR A 3 72.651 53.933 -40.300 1.00 0.00 C ATOM 33 O THR A 3 73.263 52.953 -39.918 1.00 0.00 O ATOM 34 CB THR A 3 72.649 54.739 -37.871 1.00 0.00 C ATOM 35 OG1 THR A 3 71.980 53.540 -37.493 1.00 0.00 O ATOM 36 CG2 THR A 3 72.143 55.815 -36.886 1.00 0.00 C ATOM 0 H THR A 3 70.231 54.304 -38.842 1.00 0.00 H new ATOM 0 HA THR A 3 72.606 55.973 -39.658 1.00 0.00 H new ATOM 0 HB THR A 3 73.738 54.699 -37.840 1.00 0.00 H new ATOM 0 HG1 THR A 3 72.268 52.807 -38.076 1.00 0.00 H new ATOM 0 HG21 THR A 3 72.491 55.580 -35.880 1.00 0.00 H new ATOM 0 HG22 THR A 3 72.527 56.791 -37.184 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.053 55.835 -36.897 1.00 0.00 H new ATOM 44 N VAL A 4 72.334 54.161 -41.551 1.00 0.00 N ATOM 45 CA VAL A 4 72.705 53.213 -42.653 1.00 0.00 C ATOM 46 C VAL A 4 73.592 53.937 -43.691 1.00 0.00 C ATOM 47 O VAL A 4 73.725 55.145 -43.648 1.00 0.00 O ATOM 48 CB VAL A 4 71.363 52.691 -43.267 1.00 0.00 C ATOM 49 CG1 VAL A 4 70.549 53.856 -43.886 1.00 0.00 C ATOM 50 CG2 VAL A 4 71.603 51.600 -44.334 1.00 0.00 C ATOM 0 H VAL A 4 71.821 54.985 -41.864 1.00 0.00 H new ATOM 0 HA VAL A 4 73.290 52.368 -42.290 1.00 0.00 H new ATOM 0 HB VAL A 4 70.793 52.248 -42.451 1.00 0.00 H new ATOM 0 HG11 VAL A 4 69.621 53.468 -44.306 1.00 0.00 H new ATOM 0 HG12 VAL A 4 70.319 54.590 -43.114 1.00 0.00 H new ATOM 0 HG13 VAL A 4 71.134 54.330 -44.674 1.00 0.00 H new ATOM 0 HG21 VAL A 4 70.646 51.266 -44.734 1.00 0.00 H new ATOM 0 HG22 VAL A 4 72.211 52.008 -45.141 1.00 0.00 H new ATOM 0 HG23 VAL A 4 72.122 50.755 -43.880 1.00 0.00 H new ATOM 60 N ALA A 5 74.170 53.164 -44.582 1.00 0.00 N ATOM 61 CA ALA A 5 75.066 53.693 -45.669 1.00 0.00 C ATOM 62 C ALA A 5 74.521 54.944 -46.384 1.00 0.00 C ATOM 63 O ALA A 5 73.339 55.228 -46.323 1.00 0.00 O ATOM 64 CB ALA A 5 75.284 52.579 -46.704 1.00 0.00 C ATOM 0 H ALA A 5 74.054 52.151 -44.602 1.00 0.00 H new ATOM 0 HA ALA A 5 75.996 53.998 -45.190 1.00 0.00 H new ATOM 0 HB1 ALA A 5 75.932 52.944 -47.501 1.00 0.00 H new ATOM 0 HB2 ALA A 5 75.751 51.720 -46.222 1.00 0.00 H new ATOM 0 HB3 ALA A 5 74.324 52.281 -47.125 1.00 0.00 H new ATOM 70 N GLU A 6 75.409 55.646 -47.047 1.00 0.00 N ATOM 71 CA GLU A 6 75.006 56.887 -47.786 1.00 0.00 C ATOM 72 C GLU A 6 75.426 56.812 -49.264 1.00 0.00 C ATOM 73 O GLU A 6 75.949 57.763 -49.812 1.00 0.00 O ATOM 74 CB GLU A 6 75.669 58.097 -47.099 1.00 0.00 C ATOM 75 CG GLU A 6 75.264 58.134 -45.600 1.00 0.00 C ATOM 76 CD GLU A 6 75.680 59.453 -44.910 1.00 0.00 C ATOM 77 OE1 GLU A 6 75.875 60.440 -45.603 1.00 0.00 O ATOM 78 OE2 GLU A 6 75.772 59.399 -43.694 1.00 0.00 O ATOM 0 H GLU A 6 76.400 55.412 -47.109 1.00 0.00 H new ATOM 0 HA GLU A 6 73.921 56.989 -47.761 1.00 0.00 H new ATOM 0 HB2 GLU A 6 76.753 58.031 -47.191 1.00 0.00 H new ATOM 0 HB3 GLU A 6 75.363 59.020 -47.591 1.00 0.00 H new ATOM 0 HG2 GLU A 6 74.185 58.007 -45.515 1.00 0.00 H new ATOM 0 HG3 GLU A 6 75.726 57.294 -45.081 1.00 0.00 H new ATOM 85 N ARG A 7 75.163 55.663 -49.837 1.00 0.00 N ATOM 86 CA ARG A 7 75.465 55.324 -51.265 1.00 0.00 C ATOM 87 C ARG A 7 76.093 56.424 -52.156 1.00 0.00 C ATOM 88 O ARG A 7 75.435 56.894 -53.065 1.00 0.00 O ATOM 89 CB ARG A 7 74.131 54.820 -51.873 1.00 0.00 C ATOM 90 CG ARG A 7 73.740 53.458 -51.272 1.00 0.00 C ATOM 91 CD ARG A 7 72.399 53.009 -51.915 1.00 0.00 C ATOM 92 NE ARG A 7 71.968 51.653 -51.434 1.00 0.00 N ATOM 93 CZ ARG A 7 72.717 50.930 -50.643 1.00 0.00 C ATOM 94 NH1 ARG A 7 73.575 50.104 -51.176 1.00 0.00 N ATOM 95 NH2 ARG A 7 72.578 51.061 -49.353 1.00 0.00 N ATOM 0 H ARG A 7 74.720 54.894 -49.334 1.00 0.00 H new ATOM 0 HA ARG A 7 76.263 54.581 -51.247 1.00 0.00 H new ATOM 0 HB2 ARG A 7 73.341 55.547 -51.683 1.00 0.00 H new ATOM 0 HB3 ARG A 7 74.229 54.731 -52.955 1.00 0.00 H new ATOM 0 HG2 ARG A 7 74.519 52.720 -51.464 1.00 0.00 H new ATOM 0 HG3 ARG A 7 73.635 53.536 -50.190 1.00 0.00 H new ATOM 0 HD2 ARG A 7 71.624 53.739 -51.683 1.00 0.00 H new ATOM 0 HD3 ARG A 7 72.505 52.992 -53.000 1.00 0.00 H new ATOM 0 HE ARG A 7 71.065 51.285 -51.733 1.00 0.00 H new ATOM 0 HH11 ARG A 7 73.651 50.032 -52.191 1.00 0.00 H new ATOM 0 HH12 ARG A 7 74.170 49.530 -50.578 1.00 0.00 H new ATOM 0 HH21 ARG A 7 71.894 51.718 -48.978 1.00 0.00 H new ATOM 0 HH22 ARG A 7 73.153 50.506 -48.719 1.00 0.00 H new ATOM 109 N CYS A 8 77.325 56.798 -51.866 1.00 0.00 N ATOM 110 CA CYS A 8 78.041 57.856 -52.669 1.00 0.00 C ATOM 111 C CYS A 8 77.406 58.339 -53.995 1.00 0.00 C ATOM 112 O CYS A 8 77.508 57.665 -55.002 1.00 0.00 O ATOM 113 CB CYS A 8 79.489 57.377 -52.976 1.00 0.00 C ATOM 114 SG CYS A 8 80.899 57.966 -52.019 1.00 0.00 S ATOM 0 H CYS A 8 77.872 56.410 -51.097 1.00 0.00 H new ATOM 0 HA CYS A 8 77.984 58.727 -52.016 1.00 0.00 H new ATOM 0 HB2 CYS A 8 79.486 56.290 -52.899 1.00 0.00 H new ATOM 0 HB3 CYS A 8 79.689 57.622 -54.019 1.00 0.00 H new ATOM 119 N PRO A 9 76.764 59.488 -53.962 1.00 0.00 N ATOM 120 CA PRO A 9 76.370 60.259 -55.182 1.00 0.00 C ATOM 121 C PRO A 9 77.497 60.466 -56.219 1.00 0.00 C ATOM 122 O PRO A 9 77.262 61.039 -57.266 1.00 0.00 O ATOM 123 CB PRO A 9 75.828 61.578 -54.619 1.00 0.00 C ATOM 124 CG PRO A 9 75.261 61.162 -53.243 1.00 0.00 C ATOM 125 CD PRO A 9 76.326 60.184 -52.717 1.00 0.00 C ATOM 0 HA PRO A 9 75.636 59.709 -55.770 1.00 0.00 H new ATOM 0 HB2 PRO A 9 76.613 62.328 -54.522 1.00 0.00 H new ATOM 0 HB3 PRO A 9 75.057 62.004 -55.261 1.00 0.00 H new ATOM 0 HG2 PRO A 9 75.137 62.019 -52.581 1.00 0.00 H new ATOM 0 HG3 PRO A 9 74.285 60.686 -53.335 1.00 0.00 H new ATOM 0 HD2 PRO A 9 77.151 60.705 -52.231 1.00 0.00 H new ATOM 0 HD3 PRO A 9 75.913 59.488 -51.986 1.00 0.00 H new ATOM 133 N ILE A 10 78.677 59.996 -55.894 1.00 0.00 N ATOM 134 CA ILE A 10 79.862 60.124 -56.793 1.00 0.00 C ATOM 135 C ILE A 10 80.354 58.765 -57.331 1.00 0.00 C ATOM 136 O ILE A 10 80.513 58.619 -58.528 1.00 0.00 O ATOM 137 CB ILE A 10 80.984 60.857 -55.983 1.00 0.00 C ATOM 138 CG1 ILE A 10 82.264 60.926 -56.879 1.00 0.00 C ATOM 139 CG2 ILE A 10 81.251 60.168 -54.626 1.00 0.00 C ATOM 140 CD1 ILE A 10 83.412 61.687 -56.216 1.00 0.00 C ATOM 0 H ILE A 10 78.871 59.515 -55.016 1.00 0.00 H new ATOM 0 HA ILE A 10 79.584 60.697 -57.678 1.00 0.00 H new ATOM 0 HB ILE A 10 80.664 61.869 -55.736 1.00 0.00 H new ATOM 0 HG12 ILE A 10 82.593 59.913 -57.113 1.00 0.00 H new ATOM 0 HG13 ILE A 10 82.014 61.407 -57.825 1.00 0.00 H new ATOM 0 HG21 ILE A 10 82.036 60.705 -54.093 1.00 0.00 H new ATOM 0 HG22 ILE A 10 80.339 60.173 -54.030 1.00 0.00 H new ATOM 0 HG23 ILE A 10 81.568 59.139 -54.796 1.00 0.00 H new ATOM 0 HD11 ILE A 10 84.273 61.702 -56.885 1.00 0.00 H new ATOM 0 HD12 ILE A 10 83.098 62.709 -56.006 1.00 0.00 H new ATOM 0 HD13 ILE A 10 83.685 61.193 -55.284 1.00 0.00 H new ATOM 152 N CYS A 11 80.578 57.823 -56.448 1.00 0.00 N ATOM 153 CA CYS A 11 81.064 56.466 -56.871 1.00 0.00 C ATOM 154 C CYS A 11 79.966 55.409 -56.646 1.00 0.00 C ATOM 155 O CYS A 11 79.564 54.723 -57.564 1.00 0.00 O ATOM 156 CB CYS A 11 82.348 56.114 -56.047 1.00 0.00 C ATOM 157 SG CYS A 11 82.222 55.342 -54.411 1.00 0.00 S ATOM 0 H CYS A 11 80.445 57.934 -55.443 1.00 0.00 H new ATOM 0 HA CYS A 11 81.305 56.474 -57.934 1.00 0.00 H new ATOM 0 HB2 CYS A 11 82.954 55.453 -56.667 1.00 0.00 H new ATOM 0 HB3 CYS A 11 82.911 57.039 -55.922 1.00 0.00 H new ATOM 162 N LEU A 12 79.527 55.325 -55.416 1.00 0.00 N ATOM 163 CA LEU A 12 78.464 54.374 -54.966 1.00 0.00 C ATOM 164 C LEU A 12 78.940 52.924 -55.108 1.00 0.00 C ATOM 165 O LEU A 12 78.388 52.110 -55.825 1.00 0.00 O ATOM 166 CB LEU A 12 77.151 54.605 -55.795 1.00 0.00 C ATOM 167 CG LEU A 12 75.915 54.178 -54.930 1.00 0.00 C ATOM 168 CD1 LEU A 12 74.618 54.730 -55.545 1.00 0.00 C ATOM 169 CD2 LEU A 12 75.772 52.645 -54.772 1.00 0.00 C ATOM 0 H LEU A 12 79.885 55.913 -54.663 1.00 0.00 H new ATOM 0 HA LEU A 12 78.253 54.560 -53.913 1.00 0.00 H new ATOM 0 HB2 LEU A 12 77.066 55.654 -56.080 1.00 0.00 H new ATOM 0 HB3 LEU A 12 77.182 54.026 -56.718 1.00 0.00 H new ATOM 0 HG LEU A 12 76.087 54.597 -53.939 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.768 54.426 -54.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.667 55.818 -55.582 1.00 0.00 H new ATOM 0 HD13 LEU A 12 74.498 54.337 -56.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.896 52.422 -54.162 1.00 0.00 H new ATOM 0 HD22 LEU A 12 75.656 52.187 -55.754 1.00 0.00 H new ATOM 0 HD23 LEU A 12 76.663 52.244 -54.288 1.00 0.00 H new ATOM 181 N GLU A 13 79.998 52.669 -54.393 1.00 0.00 N ATOM 182 CA GLU A 13 80.624 51.316 -54.368 1.00 0.00 C ATOM 183 C GLU A 13 80.666 51.028 -52.863 1.00 0.00 C ATOM 184 O GLU A 13 81.647 50.541 -52.337 1.00 0.00 O ATOM 185 CB GLU A 13 82.037 51.419 -55.003 1.00 0.00 C ATOM 186 CG GLU A 13 82.721 50.018 -55.109 1.00 0.00 C ATOM 187 CD GLU A 13 81.989 49.031 -56.054 1.00 0.00 C ATOM 188 OE1 GLU A 13 81.102 49.447 -56.783 1.00 0.00 O ATOM 189 OE2 GLU A 13 82.382 47.877 -55.991 1.00 0.00 O ATOM 0 H GLU A 13 80.469 53.360 -53.809 1.00 0.00 H new ATOM 0 HA GLU A 13 80.108 50.532 -54.922 1.00 0.00 H new ATOM 0 HB2 GLU A 13 81.960 51.863 -55.995 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.659 52.084 -54.404 1.00 0.00 H new ATOM 0 HG2 GLU A 13 83.745 50.150 -55.460 1.00 0.00 H new ATOM 0 HG3 GLU A 13 82.780 49.577 -54.114 1.00 0.00 H new ATOM 196 N ASP A 14 79.560 51.360 -52.232 1.00 0.00 N ATOM 197 CA ASP A 14 79.362 51.186 -50.760 1.00 0.00 C ATOM 198 C ASP A 14 80.332 52.193 -50.111 1.00 0.00 C ATOM 199 O ASP A 14 81.520 51.939 -50.108 1.00 0.00 O ATOM 200 CB ASP A 14 79.709 49.723 -50.310 1.00 0.00 C ATOM 201 CG ASP A 14 78.807 48.707 -51.041 1.00 0.00 C ATOM 202 OD1 ASP A 14 78.986 48.570 -52.241 1.00 0.00 O ATOM 203 OD2 ASP A 14 77.983 48.121 -50.357 1.00 0.00 O ATOM 0 H ASP A 14 78.752 51.763 -52.705 1.00 0.00 H new ATOM 0 HA ASP A 14 78.326 51.357 -50.468 1.00 0.00 H new ATOM 0 HB2 ASP A 14 80.756 49.509 -50.524 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.577 49.626 -49.232 1.00 0.00 H new ATOM 208 N PRO A 15 79.838 53.301 -49.592 1.00 0.00 N ATOM 209 CA PRO A 15 80.688 54.474 -49.237 1.00 0.00 C ATOM 210 C PRO A 15 81.306 54.286 -47.813 1.00 0.00 C ATOM 211 O PRO A 15 81.282 55.181 -46.993 1.00 0.00 O ATOM 212 CB PRO A 15 79.705 55.627 -49.367 1.00 0.00 C ATOM 213 CG PRO A 15 78.446 55.011 -48.703 1.00 0.00 C ATOM 214 CD PRO A 15 78.400 53.571 -49.294 1.00 0.00 C ATOM 0 HA PRO A 15 81.565 54.633 -49.864 1.00 0.00 H new ATOM 0 HB2 PRO A 15 80.048 56.523 -48.850 1.00 0.00 H new ATOM 0 HB3 PRO A 15 79.530 55.906 -50.406 1.00 0.00 H new ATOM 0 HG2 PRO A 15 78.530 54.998 -47.616 1.00 0.00 H new ATOM 0 HG3 PRO A 15 77.546 55.575 -48.946 1.00 0.00 H new ATOM 0 HD2 PRO A 15 77.991 52.853 -48.583 1.00 0.00 H new ATOM 0 HD3 PRO A 15 77.783 53.519 -50.191 1.00 0.00 H new ATOM 222 N SER A 16 81.826 53.098 -47.604 1.00 0.00 N ATOM 223 CA SER A 16 82.492 52.612 -46.346 1.00 0.00 C ATOM 224 C SER A 16 83.062 53.668 -45.385 1.00 0.00 C ATOM 225 O SER A 16 82.540 53.857 -44.303 1.00 0.00 O ATOM 226 CB SER A 16 83.607 51.630 -46.783 1.00 0.00 C ATOM 227 OG SER A 16 84.191 51.128 -45.586 1.00 0.00 O ATOM 0 H SER A 16 81.812 52.380 -48.328 1.00 0.00 H new ATOM 0 HA SER A 16 81.705 52.155 -45.746 1.00 0.00 H new ATOM 0 HB2 SER A 16 83.197 50.819 -47.385 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.352 52.136 -47.396 1.00 0.00 H new ATOM 0 HG SER A 16 84.906 50.497 -45.811 1.00 0.00 H new ATOM 233 N ASN A 17 84.113 54.325 -45.812 1.00 0.00 N ATOM 234 CA ASN A 17 84.749 55.373 -44.951 1.00 0.00 C ATOM 235 C ASN A 17 83.981 56.668 -45.178 1.00 0.00 C ATOM 236 O ASN A 17 83.113 56.695 -46.025 1.00 0.00 O ATOM 237 CB ASN A 17 86.223 55.551 -45.364 1.00 0.00 C ATOM 238 CG ASN A 17 87.053 54.273 -45.125 1.00 0.00 C ATOM 239 OD1 ASN A 17 88.249 54.262 -45.339 1.00 0.00 O ATOM 240 ND2 ASN A 17 86.485 53.180 -44.688 1.00 0.00 N ATOM 0 H ASN A 17 84.558 54.182 -46.718 1.00 0.00 H new ATOM 0 HA ASN A 17 84.720 55.090 -43.899 1.00 0.00 H new ATOM 0 HB2 ASN A 17 86.273 55.823 -46.418 1.00 0.00 H new ATOM 0 HB3 ASN A 17 86.659 56.376 -44.801 1.00 0.00 H new ATOM 0 HD21 ASN A 17 87.044 52.341 -44.534 1.00 0.00 H new ATOM 0 HD22 ASN A 17 85.482 53.166 -44.501 1.00 0.00 H new ATOM 247 N TYR A 18 84.283 57.706 -44.440 1.00 0.00 N ATOM 248 CA TYR A 18 83.524 58.972 -44.665 1.00 0.00 C ATOM 249 C TYR A 18 84.279 60.301 -44.661 1.00 0.00 C ATOM 250 O TYR A 18 85.186 60.550 -43.893 1.00 0.00 O ATOM 251 CB TYR A 18 82.385 59.024 -43.614 1.00 0.00 C ATOM 252 CG TYR A 18 81.233 58.071 -44.011 1.00 0.00 C ATOM 253 CD1 TYR A 18 80.574 58.230 -45.217 1.00 0.00 C ATOM 254 CD2 TYR A 18 80.820 57.053 -43.175 1.00 0.00 C ATOM 255 CE1 TYR A 18 79.538 57.407 -45.581 1.00 0.00 C ATOM 256 CE2 TYR A 18 79.778 56.224 -43.538 1.00 0.00 C ATOM 257 CZ TYR A 18 79.126 56.393 -44.746 1.00 0.00 C ATOM 258 OH TYR A 18 78.082 55.569 -45.115 1.00 0.00 O ATOM 0 H TYR A 18 84.999 57.734 -43.714 1.00 0.00 H new ATOM 0 HA TYR A 18 83.190 58.903 -45.700 1.00 0.00 H new ATOM 0 HB2 TYR A 18 82.774 58.745 -42.635 1.00 0.00 H new ATOM 0 HB3 TYR A 18 82.008 60.043 -43.529 1.00 0.00 H new ATOM 0 HD1 TYR A 18 80.882 59.019 -45.887 1.00 0.00 H new ATOM 0 HD2 TYR A 18 81.317 56.904 -42.228 1.00 0.00 H new ATOM 0 HE1 TYR A 18 79.042 57.556 -46.529 1.00 0.00 H new ATOM 0 HE2 TYR A 18 79.468 55.434 -42.871 1.00 0.00 H new ATOM 0 HH TYR A 18 77.923 54.907 -44.410 1.00 0.00 H new ATOM 268 N SER A 19 83.802 61.087 -45.588 1.00 0.00 N ATOM 269 CA SER A 19 84.265 62.464 -45.890 1.00 0.00 C ATOM 270 C SER A 19 82.920 63.214 -45.892 1.00 0.00 C ATOM 271 O SER A 19 82.108 63.029 -46.778 1.00 0.00 O ATOM 272 CB SER A 19 84.950 62.459 -47.258 1.00 0.00 C ATOM 273 OG SER A 19 83.989 62.504 -48.297 1.00 0.00 O ATOM 0 H SER A 19 83.040 60.793 -46.199 1.00 0.00 H new ATOM 0 HA SER A 19 84.993 62.902 -45.207 1.00 0.00 H new ATOM 0 HB2 SER A 19 85.620 63.315 -47.338 1.00 0.00 H new ATOM 0 HB3 SER A 19 85.563 61.563 -47.361 1.00 0.00 H new ATOM 0 HG SER A 19 84.070 61.701 -48.853 1.00 0.00 H new ATOM 279 N MET A 20 82.692 64.035 -44.911 1.00 0.00 N ATOM 280 CA MET A 20 81.403 64.783 -44.869 1.00 0.00 C ATOM 281 C MET A 20 81.704 66.130 -45.477 1.00 0.00 C ATOM 282 O MET A 20 82.618 66.790 -45.033 1.00 0.00 O ATOM 283 CB MET A 20 80.947 64.929 -43.404 1.00 0.00 C ATOM 284 CG MET A 20 80.541 63.558 -42.860 1.00 0.00 C ATOM 285 SD MET A 20 80.142 63.434 -41.098 1.00 0.00 S ATOM 286 CE MET A 20 81.732 62.798 -40.507 1.00 0.00 C ATOM 0 H MET A 20 83.334 64.222 -44.141 1.00 0.00 H new ATOM 0 HA MET A 20 80.603 64.277 -45.410 1.00 0.00 H new ATOM 0 HB2 MET A 20 81.752 65.348 -42.801 1.00 0.00 H new ATOM 0 HB3 MET A 20 80.107 65.621 -43.340 1.00 0.00 H new ATOM 0 HG2 MET A 20 79.673 63.217 -43.425 1.00 0.00 H new ATOM 0 HG3 MET A 20 81.352 62.861 -43.070 1.00 0.00 H new ATOM 0 HE1 MET A 20 81.918 63.165 -39.498 1.00 0.00 H new ATOM 0 HE2 MET A 20 81.707 61.708 -40.498 1.00 0.00 H new ATOM 0 HE3 MET A 20 82.528 63.137 -41.169 1.00 0.00 H new ATOM 296 N ALA A 21 80.927 66.475 -46.468 1.00 0.00 N ATOM 297 CA ALA A 21 81.107 67.780 -47.165 1.00 0.00 C ATOM 298 C ALA A 21 80.250 68.718 -46.317 1.00 0.00 C ATOM 299 O ALA A 21 79.062 68.498 -46.164 1.00 0.00 O ATOM 300 CB ALA A 21 80.557 67.691 -48.602 1.00 0.00 C ATOM 0 H ALA A 21 80.165 65.900 -46.828 1.00 0.00 H new ATOM 0 HA ALA A 21 82.145 68.099 -47.255 1.00 0.00 H new ATOM 0 HB1 ALA A 21 80.693 68.649 -49.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 81.093 66.916 -49.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 79.496 67.445 -48.571 1.00 0.00 H new ATOM 306 N LEU A 22 80.924 69.717 -45.813 1.00 0.00 N ATOM 307 CA LEU A 22 80.351 70.782 -44.939 1.00 0.00 C ATOM 308 C LEU A 22 80.116 72.074 -45.744 1.00 0.00 C ATOM 309 O LEU A 22 80.681 72.235 -46.807 1.00 0.00 O ATOM 310 CB LEU A 22 81.359 71.055 -43.783 1.00 0.00 C ATOM 311 CG LEU A 22 81.288 70.042 -42.604 1.00 0.00 C ATOM 312 CD1 LEU A 22 79.914 70.067 -41.908 1.00 0.00 C ATOM 313 CD2 LEU A 22 81.595 68.614 -43.062 1.00 0.00 C ATOM 0 H LEU A 22 81.921 69.843 -45.987 1.00 0.00 H new ATOM 0 HA LEU A 22 79.392 70.454 -44.539 1.00 0.00 H new ATOM 0 HB2 LEU A 22 82.370 71.046 -44.191 1.00 0.00 H new ATOM 0 HB3 LEU A 22 81.181 72.057 -43.394 1.00 0.00 H new ATOM 0 HG LEU A 22 82.050 70.355 -41.890 1.00 0.00 H new ATOM 0 HD11 LEU A 22 79.907 69.345 -41.091 1.00 0.00 H new ATOM 0 HD12 LEU A 22 79.725 71.065 -41.512 1.00 0.00 H new ATOM 0 HD13 LEU A 22 79.137 69.808 -42.627 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.535 67.938 -42.209 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.870 68.311 -43.818 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.599 68.576 -43.486 1.00 0.00 H new ATOM 325 N PRO A 23 79.303 72.969 -45.227 1.00 0.00 N ATOM 326 CA PRO A 23 78.448 72.785 -44.014 1.00 0.00 C ATOM 327 C PRO A 23 77.136 72.002 -44.275 1.00 0.00 C ATOM 328 O PRO A 23 76.113 72.319 -43.697 1.00 0.00 O ATOM 329 CB PRO A 23 78.224 74.218 -43.554 1.00 0.00 C ATOM 330 CG PRO A 23 78.031 74.941 -44.913 1.00 0.00 C ATOM 331 CD PRO A 23 79.148 74.339 -45.795 1.00 0.00 C ATOM 0 HA PRO A 23 78.920 72.159 -43.257 1.00 0.00 H new ATOM 0 HB2 PRO A 23 77.350 74.312 -42.910 1.00 0.00 H new ATOM 0 HB3 PRO A 23 79.075 74.609 -42.996 1.00 0.00 H new ATOM 0 HG2 PRO A 23 77.042 74.754 -45.332 1.00 0.00 H new ATOM 0 HG3 PRO A 23 78.135 76.021 -44.813 1.00 0.00 H new ATOM 0 HD2 PRO A 23 78.865 74.313 -46.847 1.00 0.00 H new ATOM 0 HD3 PRO A 23 80.072 74.913 -45.728 1.00 0.00 H new ATOM 339 N CYS A 24 77.195 71.007 -45.127 1.00 0.00 N ATOM 340 CA CYS A 24 75.981 70.185 -45.445 1.00 0.00 C ATOM 341 C CYS A 24 76.268 68.712 -45.115 1.00 0.00 C ATOM 342 O CYS A 24 75.606 67.835 -45.634 1.00 0.00 O ATOM 343 CB CYS A 24 75.662 70.316 -46.935 1.00 0.00 C ATOM 344 SG CYS A 24 76.669 69.392 -48.128 1.00 0.00 S ATOM 0 H CYS A 24 78.041 70.725 -45.622 1.00 0.00 H new ATOM 0 HA CYS A 24 75.133 70.535 -44.856 1.00 0.00 H new ATOM 0 HB2 CYS A 24 74.624 70.017 -47.078 1.00 0.00 H new ATOM 0 HB3 CYS A 24 75.728 71.372 -47.195 1.00 0.00 H new ATOM 349 N LEU A 25 77.241 68.524 -44.253 1.00 0.00 N ATOM 350 CA LEU A 25 77.718 67.183 -43.777 1.00 0.00 C ATOM 351 C LEU A 25 77.074 65.928 -44.391 1.00 0.00 C ATOM 352 O LEU A 25 76.484 65.101 -43.721 1.00 0.00 O ATOM 353 CB LEU A 25 77.570 67.112 -42.235 1.00 0.00 C ATOM 354 CG LEU A 25 76.109 67.339 -41.775 1.00 0.00 C ATOM 355 CD1 LEU A 25 75.931 66.623 -40.426 1.00 0.00 C ATOM 356 CD2 LEU A 25 75.870 68.849 -41.559 1.00 0.00 C ATOM 0 H LEU A 25 77.755 69.299 -43.835 1.00 0.00 H new ATOM 0 HA LEU A 25 78.751 67.143 -44.122 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.912 66.139 -41.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 78.214 67.862 -41.775 1.00 0.00 H new ATOM 0 HG LEU A 25 75.411 66.960 -42.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 74.910 66.763 -40.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.129 65.558 -40.550 1.00 0.00 H new ATOM 0 HD13 LEU A 25 76.628 67.039 -39.698 1.00 0.00 H new ATOM 0 HD21 LEU A 25 74.842 69.012 -41.235 1.00 0.00 H new ATOM 0 HD22 LEU A 25 76.554 69.220 -40.796 1.00 0.00 H new ATOM 0 HD23 LEU A 25 76.045 69.382 -42.493 1.00 0.00 H new ATOM 368 N HIS A 26 77.226 65.841 -45.685 1.00 0.00 N ATOM 369 CA HIS A 26 76.668 64.665 -46.432 1.00 0.00 C ATOM 370 C HIS A 26 77.914 63.808 -46.422 1.00 0.00 C ATOM 371 O HIS A 26 78.951 64.293 -46.830 1.00 0.00 O ATOM 372 CB HIS A 26 76.330 64.987 -47.875 1.00 0.00 C ATOM 373 CG HIS A 26 74.915 65.536 -48.081 1.00 0.00 C ATOM 374 ND1 HIS A 26 74.618 66.655 -48.662 1.00 0.00 N ATOM 375 CD2 HIS A 26 73.699 64.974 -47.745 1.00 0.00 C ATOM 376 CE1 HIS A 26 73.333 66.767 -48.685 1.00 0.00 C ATOM 377 NE2 HIS A 26 72.716 65.757 -48.131 1.00 0.00 N ATOM 0 H HIS A 26 77.711 66.529 -46.261 1.00 0.00 H new ATOM 0 HA HIS A 26 75.749 64.259 -46.010 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.049 65.715 -48.251 1.00 0.00 H new ATOM 0 HB3 HIS A 26 76.448 64.084 -48.474 1.00 0.00 H new ATOM 0 HD2 HIS A 26 73.574 64.028 -47.239 1.00 0.00 H new ATOM 0 HE1 HIS A 26 72.818 67.612 -49.119 1.00 0.00 H new ATOM 0 HE2 HIS A 26 71.712 65.611 -48.024 1.00 0.00 H new ATOM 384 N ALA A 27 77.793 62.586 -45.979 1.00 0.00 N ATOM 385 CA ALA A 27 79.005 61.729 -45.942 1.00 0.00 C ATOM 386 C ALA A 27 79.187 60.807 -47.146 1.00 0.00 C ATOM 387 O ALA A 27 78.478 59.845 -47.361 1.00 0.00 O ATOM 388 CB ALA A 27 78.965 60.893 -44.657 1.00 0.00 C ATOM 0 H ALA A 27 76.929 62.155 -45.649 1.00 0.00 H new ATOM 0 HA ALA A 27 79.860 62.405 -45.971 1.00 0.00 H new ATOM 0 HB1 ALA A 27 79.848 60.255 -44.610 1.00 0.00 H new ATOM 0 HB2 ALA A 27 78.950 61.556 -43.792 1.00 0.00 H new ATOM 0 HB3 ALA A 27 78.069 60.273 -44.654 1.00 0.00 H new ATOM 394 N PHE A 28 80.184 61.205 -47.887 1.00 0.00 N ATOM 395 CA PHE A 28 80.645 60.522 -49.138 1.00 0.00 C ATOM 396 C PHE A 28 81.840 59.633 -48.679 1.00 0.00 C ATOM 397 O PHE A 28 82.248 59.807 -47.552 1.00 0.00 O ATOM 398 CB PHE A 28 81.113 61.583 -50.092 1.00 0.00 C ATOM 399 CG PHE A 28 79.975 62.556 -50.411 1.00 0.00 C ATOM 400 CD1 PHE A 28 79.747 63.671 -49.630 1.00 0.00 C ATOM 401 CD2 PHE A 28 79.180 62.328 -51.513 1.00 0.00 C ATOM 402 CE1 PHE A 28 78.734 64.540 -49.967 1.00 0.00 C ATOM 403 CE2 PHE A 28 78.167 63.197 -51.847 1.00 0.00 C ATOM 404 CZ PHE A 28 77.941 64.313 -51.071 1.00 0.00 C ATOM 0 H PHE A 28 80.735 62.033 -47.660 1.00 0.00 H new ATOM 0 HA PHE A 28 79.875 59.930 -49.632 1.00 0.00 H new ATOM 0 HB2 PHE A 28 81.953 62.126 -49.658 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.473 61.121 -51.011 1.00 0.00 H new ATOM 0 HD1 PHE A 28 80.359 63.860 -48.761 1.00 0.00 H new ATOM 0 HD2 PHE A 28 79.355 61.454 -52.124 1.00 0.00 H new ATOM 0 HE1 PHE A 28 78.558 65.413 -49.357 1.00 0.00 H new ATOM 0 HE2 PHE A 28 77.552 63.005 -52.714 1.00 0.00 H new ATOM 0 HZ PHE A 28 77.150 65.003 -51.325 1.00 0.00 H new ATOM 414 N CYS A 29 82.398 58.733 -49.467 1.00 0.00 N ATOM 415 CA CYS A 29 83.577 57.897 -48.966 1.00 0.00 C ATOM 416 C CYS A 29 84.690 58.877 -48.606 1.00 0.00 C ATOM 417 O CYS A 29 84.545 60.030 -48.966 1.00 0.00 O ATOM 418 CB CYS A 29 84.212 57.026 -50.022 1.00 0.00 C ATOM 419 SG CYS A 29 83.373 55.658 -50.828 1.00 0.00 S ATOM 0 H CYS A 29 82.102 58.535 -50.423 1.00 0.00 H new ATOM 0 HA CYS A 29 83.190 57.274 -48.160 1.00 0.00 H new ATOM 0 HB2 CYS A 29 84.535 57.697 -50.818 1.00 0.00 H new ATOM 0 HB3 CYS A 29 85.113 56.609 -49.572 1.00 0.00 H new ATOM 424 N TYR A 30 85.750 58.439 -47.947 1.00 0.00 N ATOM 425 CA TYR A 30 86.824 59.432 -47.620 1.00 0.00 C ATOM 426 C TYR A 30 87.091 60.210 -48.916 1.00 0.00 C ATOM 427 O TYR A 30 87.276 59.635 -49.972 1.00 0.00 O ATOM 428 CB TYR A 30 88.178 58.826 -47.225 1.00 0.00 C ATOM 429 CG TYR A 30 89.146 59.946 -46.709 1.00 0.00 C ATOM 430 CD1 TYR A 30 88.747 61.226 -46.316 1.00 0.00 C ATOM 431 CD2 TYR A 30 90.494 59.659 -46.644 1.00 0.00 C ATOM 432 CE1 TYR A 30 89.670 62.152 -45.884 1.00 0.00 C ATOM 433 CE2 TYR A 30 91.414 60.591 -46.210 1.00 0.00 C ATOM 434 CZ TYR A 30 91.007 61.846 -45.825 1.00 0.00 C ATOM 435 OH TYR A 30 91.917 62.786 -45.386 1.00 0.00 O ATOM 0 H TYR A 30 85.910 57.481 -47.636 1.00 0.00 H new ATOM 0 HA TYR A 30 86.466 60.013 -46.770 1.00 0.00 H new ATOM 0 HB2 TYR A 30 88.035 58.074 -46.449 1.00 0.00 H new ATOM 0 HB3 TYR A 30 88.621 58.319 -48.082 1.00 0.00 H new ATOM 0 HD1 TYR A 30 87.701 61.493 -46.352 1.00 0.00 H new ATOM 0 HD2 TYR A 30 90.838 58.679 -46.941 1.00 0.00 H new ATOM 0 HE1 TYR A 30 89.337 63.135 -45.587 1.00 0.00 H new ATOM 0 HE2 TYR A 30 92.462 60.332 -46.173 1.00 0.00 H new ATOM 0 HH TYR A 30 92.819 62.403 -45.406 1.00 0.00 H new ATOM 445 N VAL A 31 87.100 61.493 -48.737 1.00 0.00 N ATOM 446 CA VAL A 31 87.323 62.506 -49.783 1.00 0.00 C ATOM 447 C VAL A 31 86.974 62.114 -51.259 1.00 0.00 C ATOM 448 O VAL A 31 87.675 62.501 -52.174 1.00 0.00 O ATOM 449 CB VAL A 31 88.797 62.876 -49.483 1.00 0.00 C ATOM 450 CG1 VAL A 31 89.719 61.702 -49.750 1.00 0.00 C ATOM 451 CG2 VAL A 31 89.266 64.129 -50.148 1.00 0.00 C ATOM 0 H VAL A 31 86.946 61.909 -47.818 1.00 0.00 H new ATOM 0 HA VAL A 31 86.629 63.346 -49.737 1.00 0.00 H new ATOM 0 HB VAL A 31 88.836 63.104 -48.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.747 61.990 -49.531 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.434 60.864 -49.115 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.640 61.408 -50.796 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.307 64.313 -49.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.179 64.022 -51.229 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.654 64.968 -49.816 1.00 0.00 H new ATOM 461 N CYS A 32 85.897 61.364 -51.462 1.00 0.00 N ATOM 462 CA CYS A 32 85.505 60.972 -52.874 1.00 0.00 C ATOM 463 C CYS A 32 84.967 62.300 -53.437 1.00 0.00 C ATOM 464 O CYS A 32 85.500 62.890 -54.354 1.00 0.00 O ATOM 465 CB CYS A 32 84.328 59.860 -52.932 1.00 0.00 C ATOM 466 SG CYS A 32 84.628 58.085 -53.133 1.00 0.00 S ATOM 0 H CYS A 32 85.284 61.013 -50.726 1.00 0.00 H new ATOM 0 HA CYS A 32 86.340 60.528 -53.415 1.00 0.00 H new ATOM 0 HB2 CYS A 32 83.757 59.971 -52.010 1.00 0.00 H new ATOM 0 HB3 CYS A 32 83.671 60.153 -53.751 1.00 0.00 H new ATOM 471 N ILE A 33 83.893 62.703 -52.822 1.00 0.00 N ATOM 472 CA ILE A 33 83.140 63.962 -53.123 1.00 0.00 C ATOM 473 C ILE A 33 84.049 65.151 -53.430 1.00 0.00 C ATOM 474 O ILE A 33 83.768 65.905 -54.335 1.00 0.00 O ATOM 475 CB ILE A 33 82.260 64.162 -51.893 1.00 0.00 C ATOM 476 CG1 ILE A 33 81.466 65.449 -51.871 1.00 0.00 C ATOM 477 CG2 ILE A 33 83.130 64.159 -50.605 1.00 0.00 C ATOM 478 CD1 ILE A 33 80.711 65.716 -53.164 1.00 0.00 C ATOM 0 H ILE A 33 83.473 62.168 -52.062 1.00 0.00 H new ATOM 0 HA ILE A 33 82.550 63.884 -54.036 1.00 0.00 H new ATOM 0 HB ILE A 33 81.554 63.333 -51.936 1.00 0.00 H new ATOM 0 HG12 ILE A 33 80.756 65.415 -51.045 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.142 66.281 -51.676 1.00 0.00 H new ATOM 0 HG21 ILE A 33 82.491 64.303 -49.734 1.00 0.00 H new ATOM 0 HG22 ILE A 33 83.651 63.205 -50.520 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.860 64.967 -50.657 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.164 66.655 -53.078 1.00 0.00 H new ATOM 0 HD12 ILE A 33 81.418 65.782 -53.991 1.00 0.00 H new ATOM 0 HD13 ILE A 33 80.010 64.903 -53.350 1.00 0.00 H new ATOM 490 N THR A 34 85.099 65.294 -52.661 1.00 0.00 N ATOM 491 CA THR A 34 86.071 66.416 -52.863 1.00 0.00 C ATOM 492 C THR A 34 86.388 66.511 -54.364 1.00 0.00 C ATOM 493 O THR A 34 86.240 67.547 -54.981 1.00 0.00 O ATOM 494 CB THR A 34 87.311 66.095 -52.035 1.00 0.00 C ATOM 495 OG1 THR A 34 86.802 66.033 -50.710 1.00 0.00 O ATOM 496 CG2 THR A 34 88.315 67.253 -51.999 1.00 0.00 C ATOM 0 H THR A 34 85.329 64.670 -51.888 1.00 0.00 H new ATOM 0 HA THR A 34 85.674 67.379 -52.542 1.00 0.00 H new ATOM 0 HB THR A 34 87.807 65.209 -52.432 1.00 0.00 H new ATOM 0 HG1 THR A 34 87.251 66.705 -50.155 1.00 0.00 H new ATOM 0 HG21 THR A 34 89.177 66.968 -51.396 1.00 0.00 H new ATOM 0 HG22 THR A 34 88.642 67.483 -53.013 1.00 0.00 H new ATOM 0 HG23 THR A 34 87.841 68.132 -51.562 1.00 0.00 H new ATOM 504 N ARG A 35 86.815 65.391 -54.891 1.00 0.00 N ATOM 505 CA ARG A 35 87.164 65.285 -56.339 1.00 0.00 C ATOM 506 C ARG A 35 85.983 65.858 -57.151 1.00 0.00 C ATOM 507 O ARG A 35 86.158 66.730 -57.981 1.00 0.00 O ATOM 508 CB ARG A 35 87.402 63.793 -56.685 1.00 0.00 C ATOM 509 CG ARG A 35 88.426 63.131 -55.710 1.00 0.00 C ATOM 510 CD ARG A 35 89.802 63.828 -55.742 1.00 0.00 C ATOM 511 NE ARG A 35 90.357 63.708 -57.123 1.00 0.00 N ATOM 512 CZ ARG A 35 91.449 63.022 -57.333 1.00 0.00 C ATOM 513 NH1 ARG A 35 91.449 61.744 -57.066 1.00 0.00 N ATOM 514 NH2 ARG A 35 92.499 63.638 -57.799 1.00 0.00 N ATOM 0 H ARG A 35 86.939 64.526 -54.365 1.00 0.00 H new ATOM 0 HA ARG A 35 88.070 65.843 -56.575 1.00 0.00 H new ATOM 0 HB2 ARG A 35 86.456 63.254 -56.640 1.00 0.00 H new ATOM 0 HB3 ARG A 35 87.768 63.711 -57.708 1.00 0.00 H new ATOM 0 HG2 ARG A 35 88.030 63.162 -54.695 1.00 0.00 H new ATOM 0 HG3 ARG A 35 88.548 62.080 -55.973 1.00 0.00 H new ATOM 0 HD2 ARG A 35 89.703 64.877 -55.463 1.00 0.00 H new ATOM 0 HD3 ARG A 35 90.477 63.368 -55.020 1.00 0.00 H new ATOM 0 HE ARG A 35 89.883 64.162 -57.904 1.00 0.00 H new ATOM 0 HH11 ARG A 35 90.607 61.299 -56.701 1.00 0.00 H new ATOM 0 HH12 ARG A 35 92.291 61.190 -57.223 1.00 0.00 H new ATOM 0 HH21 ARG A 35 92.459 64.639 -57.993 1.00 0.00 H new ATOM 0 HH22 ARG A 35 93.361 63.119 -57.969 1.00 0.00 H new ATOM 528 N TRP A 36 84.808 65.340 -56.870 1.00 0.00 N ATOM 529 CA TRP A 36 83.574 65.807 -57.582 1.00 0.00 C ATOM 530 C TRP A 36 83.417 67.330 -57.538 1.00 0.00 C ATOM 531 O TRP A 36 83.491 67.954 -58.573 1.00 0.00 O ATOM 532 CB TRP A 36 82.301 65.140 -56.948 1.00 0.00 C ATOM 533 CG TRP A 36 81.001 65.664 -57.600 1.00 0.00 C ATOM 534 CD1 TRP A 36 80.538 66.940 -57.502 1.00 0.00 C ATOM 535 CD2 TRP A 36 80.138 64.952 -58.357 1.00 0.00 C ATOM 536 NE1 TRP A 36 79.427 66.926 -58.205 1.00 0.00 N ATOM 537 CE2 TRP A 36 79.093 65.777 -58.763 1.00 0.00 C ATOM 538 CE3 TRP A 36 80.144 63.615 -58.745 1.00 0.00 C ATOM 539 CZ2 TRP A 36 78.063 65.275 -59.550 1.00 0.00 C ATOM 540 CZ3 TRP A 36 79.114 63.107 -59.532 1.00 0.00 C ATOM 541 CH2 TRP A 36 78.073 63.939 -59.934 1.00 0.00 C ATOM 0 H TRP A 36 84.651 64.610 -56.175 1.00 0.00 H new ATOM 0 HA TRP A 36 83.677 65.510 -58.626 1.00 0.00 H new ATOM 0 HB2 TRP A 36 82.358 64.058 -57.068 1.00 0.00 H new ATOM 0 HB3 TRP A 36 82.279 65.342 -55.877 1.00 0.00 H new ATOM 0 HD1 TRP A 36 80.980 67.770 -56.971 1.00 0.00 H new ATOM 0 HE1 TRP A 36 78.852 67.761 -58.314 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.952 62.969 -58.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 77.256 65.922 -59.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 79.123 62.069 -59.830 1.00 0.00 H new ATOM 0 HH2 TRP A 36 77.273 63.547 -60.544 1.00 0.00 H new ATOM 552 N ILE A 37 83.220 67.896 -56.373 1.00 0.00 N ATOM 553 CA ILE A 37 83.044 69.383 -56.270 1.00 0.00 C ATOM 554 C ILE A 37 84.127 70.221 -56.972 1.00 0.00 C ATOM 555 O ILE A 37 83.778 71.135 -57.689 1.00 0.00 O ATOM 556 CB ILE A 37 82.940 69.793 -54.756 1.00 0.00 C ATOM 557 CG1 ILE A 37 84.151 69.295 -53.969 1.00 0.00 C ATOM 558 CG2 ILE A 37 81.627 69.174 -54.180 1.00 0.00 C ATOM 559 CD1 ILE A 37 84.178 69.870 -52.545 1.00 0.00 C ATOM 0 H ILE A 37 83.173 67.394 -55.486 1.00 0.00 H new ATOM 0 HA ILE A 37 82.122 69.609 -56.805 1.00 0.00 H new ATOM 0 HB ILE A 37 82.920 70.879 -54.669 1.00 0.00 H new ATOM 0 HG12 ILE A 37 84.132 68.206 -53.922 1.00 0.00 H new ATOM 0 HG13 ILE A 37 85.065 69.575 -54.492 1.00 0.00 H new ATOM 0 HG21 ILE A 37 81.529 69.443 -53.128 1.00 0.00 H new ATOM 0 HG22 ILE A 37 80.770 69.558 -54.734 1.00 0.00 H new ATOM 0 HG23 ILE A 37 81.664 68.089 -54.275 1.00 0.00 H new ATOM 0 HD11 ILE A 37 85.054 69.493 -52.017 1.00 0.00 H new ATOM 0 HD12 ILE A 37 84.224 70.958 -52.593 1.00 0.00 H new ATOM 0 HD13 ILE A 37 83.276 69.568 -52.013 1.00 0.00 H new ATOM 571 N ARG A 38 85.388 69.920 -56.771 1.00 0.00 N ATOM 572 CA ARG A 38 86.485 70.706 -57.436 1.00 0.00 C ATOM 573 C ARG A 38 86.253 70.979 -58.935 1.00 0.00 C ATOM 574 O ARG A 38 86.707 71.979 -59.458 1.00 0.00 O ATOM 575 CB ARG A 38 87.813 69.950 -57.240 1.00 0.00 C ATOM 576 CG ARG A 38 88.232 70.129 -55.766 1.00 0.00 C ATOM 577 CD ARG A 38 89.610 69.511 -55.524 1.00 0.00 C ATOM 578 NE ARG A 38 89.974 69.802 -54.105 1.00 0.00 N ATOM 579 CZ ARG A 38 90.958 70.618 -53.837 1.00 0.00 C ATOM 580 NH1 ARG A 38 92.179 70.159 -53.800 1.00 0.00 N ATOM 581 NH2 ARG A 38 90.683 71.874 -53.616 1.00 0.00 N ATOM 0 H ARG A 38 85.710 69.160 -56.172 1.00 0.00 H new ATOM 0 HA ARG A 38 86.506 71.688 -56.962 1.00 0.00 H new ATOM 0 HB2 ARG A 38 87.692 68.893 -57.479 1.00 0.00 H new ATOM 0 HB3 ARG A 38 88.580 70.342 -57.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 88.253 71.189 -55.513 1.00 0.00 H new ATOM 0 HG3 ARG A 38 87.496 69.660 -55.113 1.00 0.00 H new ATOM 0 HD2 ARG A 38 89.588 68.436 -55.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 90.348 69.934 -56.206 1.00 0.00 H new ATOM 0 HE ARG A 38 89.454 69.363 -53.345 1.00 0.00 H new ATOM 0 HH11 ARG A 38 92.358 69.171 -53.980 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.954 70.788 -53.592 1.00 0.00 H new ATOM 0 HH21 ARG A 38 89.717 72.199 -53.655 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.434 72.531 -53.405 1.00 0.00 H new ATOM 595 N GLN A 39 85.551 70.073 -59.571 1.00 0.00 N ATOM 596 CA GLN A 39 85.236 70.189 -61.030 1.00 0.00 C ATOM 597 C GLN A 39 83.776 70.651 -61.166 1.00 0.00 C ATOM 598 O GLN A 39 83.460 71.538 -61.936 1.00 0.00 O ATOM 599 CB GLN A 39 85.429 68.801 -61.695 1.00 0.00 C ATOM 600 CG GLN A 39 85.094 68.880 -63.205 1.00 0.00 C ATOM 601 CD GLN A 39 86.058 69.850 -63.903 1.00 0.00 C ATOM 602 OE1 GLN A 39 87.224 69.567 -64.092 1.00 0.00 O ATOM 603 NE2 GLN A 39 85.606 71.009 -64.296 1.00 0.00 N ATOM 0 H GLN A 39 85.173 69.236 -59.127 1.00 0.00 H new ATOM 0 HA GLN A 39 85.894 70.908 -61.519 1.00 0.00 H new ATOM 0 HB2 GLN A 39 86.457 68.465 -61.560 1.00 0.00 H new ATOM 0 HB3 GLN A 39 84.787 68.065 -61.211 1.00 0.00 H new ATOM 0 HG2 GLN A 39 85.170 67.890 -63.656 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.066 69.214 -63.341 1.00 0.00 H new ATOM 0 HE21 GLN A 39 84.628 71.254 -64.141 1.00 0.00 H new ATOM 0 HE22 GLN A 39 86.230 71.670 -64.758 1.00 0.00 H new ATOM 612 N ASN A 40 82.947 70.003 -60.391 1.00 0.00 N ATOM 613 CA ASN A 40 81.480 70.261 -60.335 1.00 0.00 C ATOM 614 C ASN A 40 81.033 70.605 -58.900 1.00 0.00 C ATOM 615 O ASN A 40 80.492 69.745 -58.236 1.00 0.00 O ATOM 616 CB ASN A 40 80.762 68.996 -60.851 1.00 0.00 C ATOM 617 CG ASN A 40 81.214 68.714 -62.289 1.00 0.00 C ATOM 618 OD1 ASN A 40 81.011 69.508 -63.186 1.00 0.00 O ATOM 619 ND2 ASN A 40 81.830 67.593 -62.549 1.00 0.00 N ATOM 0 H ASN A 40 83.250 69.262 -59.759 1.00 0.00 H new ATOM 0 HA ASN A 40 81.225 71.119 -60.958 1.00 0.00 H new ATOM 0 HB2 ASN A 40 80.993 68.145 -60.210 1.00 0.00 H new ATOM 0 HB3 ASN A 40 79.682 69.137 -60.817 1.00 0.00 H new ATOM 0 HD21 ASN A 40 82.137 67.389 -63.500 1.00 0.00 H new ATOM 0 HD22 ASN A 40 82.004 66.921 -61.801 1.00 0.00 H new ATOM 626 N PRO A 41 81.262 71.829 -58.452 1.00 0.00 N ATOM 627 CA PRO A 41 80.813 72.340 -57.113 1.00 0.00 C ATOM 628 C PRO A 41 79.307 72.136 -56.875 1.00 0.00 C ATOM 629 O PRO A 41 78.690 71.333 -57.545 1.00 0.00 O ATOM 630 CB PRO A 41 81.224 73.818 -57.112 1.00 0.00 C ATOM 631 CG PRO A 41 82.432 73.850 -58.070 1.00 0.00 C ATOM 632 CD PRO A 41 82.003 72.890 -59.197 1.00 0.00 C ATOM 0 HA PRO A 41 81.273 71.792 -56.291 1.00 0.00 H new ATOM 0 HB2 PRO A 41 80.416 74.461 -57.462 1.00 0.00 H new ATOM 0 HB3 PRO A 41 81.494 74.160 -56.113 1.00 0.00 H new ATOM 0 HG2 PRO A 41 82.623 74.855 -58.446 1.00 0.00 H new ATOM 0 HG3 PRO A 41 83.346 73.514 -57.579 1.00 0.00 H new ATOM 0 HD2 PRO A 41 81.371 73.386 -59.934 1.00 0.00 H new ATOM 0 HD3 PRO A 41 82.861 72.485 -59.734 1.00 0.00 H new ATOM 640 N THR A 42 78.758 72.871 -55.932 1.00 0.00 N ATOM 641 CA THR A 42 77.292 72.762 -55.602 1.00 0.00 C ATOM 642 C THR A 42 76.943 71.280 -55.469 1.00 0.00 C ATOM 643 O THR A 42 76.408 70.659 -56.365 1.00 0.00 O ATOM 644 CB THR A 42 76.456 73.479 -56.725 1.00 0.00 C ATOM 645 OG1 THR A 42 76.758 72.897 -57.986 1.00 0.00 O ATOM 646 CG2 THR A 42 76.916 74.947 -56.820 1.00 0.00 C ATOM 0 H THR A 42 79.269 73.551 -55.369 1.00 0.00 H new ATOM 0 HA THR A 42 77.054 73.254 -54.659 1.00 0.00 H new ATOM 0 HB THR A 42 75.396 73.390 -56.486 1.00 0.00 H new ATOM 0 HG1 THR A 42 76.895 71.933 -57.877 1.00 0.00 H new ATOM 0 HG21 THR A 42 76.345 75.458 -57.595 1.00 0.00 H new ATOM 0 HG22 THR A 42 76.752 75.442 -55.863 1.00 0.00 H new ATOM 0 HG23 THR A 42 77.977 74.981 -57.069 1.00 0.00 H new ATOM 654 N CYS A 43 77.313 70.813 -54.301 1.00 0.00 N ATOM 655 CA CYS A 43 77.131 69.405 -53.827 1.00 0.00 C ATOM 656 C CYS A 43 76.243 68.489 -54.706 1.00 0.00 C ATOM 657 O CYS A 43 75.133 68.865 -55.034 1.00 0.00 O ATOM 658 CB CYS A 43 76.557 69.476 -52.407 1.00 0.00 C ATOM 659 SG CYS A 43 76.111 67.932 -51.581 1.00 0.00 S ATOM 0 H CYS A 43 77.770 71.403 -53.605 1.00 0.00 H new ATOM 0 HA CYS A 43 78.113 68.934 -53.877 1.00 0.00 H new ATOM 0 HB2 CYS A 43 77.286 69.989 -51.780 1.00 0.00 H new ATOM 0 HB3 CYS A 43 75.667 70.104 -52.440 1.00 0.00 H new ATOM 664 N PRO A 44 76.730 67.315 -55.055 1.00 0.00 N ATOM 665 CA PRO A 44 76.023 66.367 -55.961 1.00 0.00 C ATOM 666 C PRO A 44 74.647 65.992 -55.379 1.00 0.00 C ATOM 667 O PRO A 44 73.760 65.557 -56.087 1.00 0.00 O ATOM 668 CB PRO A 44 76.955 65.169 -56.078 1.00 0.00 C ATOM 669 CG PRO A 44 77.735 65.221 -54.757 1.00 0.00 C ATOM 670 CD PRO A 44 78.017 66.724 -54.597 1.00 0.00 C ATOM 0 HA PRO A 44 75.814 66.792 -56.943 1.00 0.00 H new ATOM 0 HB2 PRO A 44 76.403 64.235 -56.186 1.00 0.00 H new ATOM 0 HB3 PRO A 44 77.615 65.252 -56.942 1.00 0.00 H new ATOM 0 HG2 PRO A 44 77.151 64.827 -53.925 1.00 0.00 H new ATOM 0 HG3 PRO A 44 78.655 64.638 -54.805 1.00 0.00 H new ATOM 0 HD2 PRO A 44 78.248 66.991 -53.566 1.00 0.00 H new ATOM 0 HD3 PRO A 44 78.859 67.051 -55.207 1.00 0.00 H new ATOM 678 N LEU A 45 74.546 66.191 -54.087 1.00 0.00 N ATOM 679 CA LEU A 45 73.307 65.888 -53.323 1.00 0.00 C ATOM 680 C LEU A 45 72.472 67.120 -52.975 1.00 0.00 C ATOM 681 O LEU A 45 71.265 67.042 -53.107 1.00 0.00 O ATOM 682 CB LEU A 45 73.779 65.094 -52.078 1.00 0.00 C ATOM 683 CG LEU A 45 72.616 64.473 -51.238 1.00 0.00 C ATOM 684 CD1 LEU A 45 71.531 63.824 -52.136 1.00 0.00 C ATOM 685 CD2 LEU A 45 73.218 63.323 -50.394 1.00 0.00 C ATOM 0 H LEU A 45 75.303 66.565 -53.515 1.00 0.00 H new ATOM 0 HA LEU A 45 72.614 65.305 -53.929 1.00 0.00 H new ATOM 0 HB2 LEU A 45 74.446 64.295 -52.401 1.00 0.00 H new ATOM 0 HB3 LEU A 45 74.362 65.756 -51.438 1.00 0.00 H new ATOM 0 HG LEU A 45 72.165 65.268 -50.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 70.743 63.406 -51.510 1.00 0.00 H new ATOM 0 HD12 LEU A 45 71.106 64.579 -52.797 1.00 0.00 H new ATOM 0 HD13 LEU A 45 71.980 63.030 -52.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 72.433 62.864 -49.792 1.00 0.00 H new ATOM 0 HD22 LEU A 45 73.652 62.574 -51.056 1.00 0.00 H new ATOM 0 HD23 LEU A 45 73.993 63.720 -49.738 1.00 0.00 H new ATOM 697 N CYS A 46 73.068 68.210 -52.551 1.00 0.00 N ATOM 698 CA CYS A 46 72.220 69.401 -52.216 1.00 0.00 C ATOM 699 C CYS A 46 72.763 70.761 -52.690 1.00 0.00 C ATOM 700 O CYS A 46 72.725 71.730 -51.960 1.00 0.00 O ATOM 701 CB CYS A 46 72.033 69.396 -50.708 1.00 0.00 C ATOM 702 SG CYS A 46 73.427 69.887 -49.660 1.00 0.00 S ATOM 0 H CYS A 46 74.073 68.327 -52.425 1.00 0.00 H new ATOM 0 HA CYS A 46 71.281 69.299 -52.760 1.00 0.00 H new ATOM 0 HB2 CYS A 46 71.196 70.055 -50.476 1.00 0.00 H new ATOM 0 HB3 CYS A 46 71.737 68.389 -50.414 1.00 0.00 H new ATOM 707 N LYS A 47 73.239 70.792 -53.905 1.00 0.00 N ATOM 708 CA LYS A 47 73.810 72.025 -54.546 1.00 0.00 C ATOM 709 C LYS A 47 74.270 73.184 -53.621 1.00 0.00 C ATOM 710 O LYS A 47 73.810 74.305 -53.739 1.00 0.00 O ATOM 711 CB LYS A 47 72.763 72.582 -55.539 1.00 0.00 C ATOM 712 CG LYS A 47 72.285 71.524 -56.566 1.00 0.00 C ATOM 713 CD LYS A 47 73.446 71.106 -57.495 1.00 0.00 C ATOM 714 CE LYS A 47 72.936 70.166 -58.598 1.00 0.00 C ATOM 715 NZ LYS A 47 72.442 68.894 -57.999 1.00 0.00 N ATOM 0 H LYS A 47 73.258 69.973 -54.513 1.00 0.00 H new ATOM 0 HA LYS A 47 74.734 71.678 -55.008 1.00 0.00 H new ATOM 0 HB2 LYS A 47 71.903 72.955 -54.982 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.190 73.431 -56.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 71.898 70.650 -56.042 1.00 0.00 H new ATOM 0 HG3 LYS A 47 71.465 71.929 -57.159 1.00 0.00 H new ATOM 0 HD2 LYS A 47 73.899 71.991 -57.943 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.224 70.609 -56.915 1.00 0.00 H new ATOM 0 HE2 LYS A 47 72.134 70.649 -59.157 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.737 69.956 -59.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 72.259 68.203 -58.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 73.160 68.514 -57.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.562 69.076 -57.475 1.00 0.00 H new ATOM 729 N VAL A 48 75.173 72.877 -52.722 1.00 0.00 N ATOM 730 CA VAL A 48 75.704 73.920 -51.777 1.00 0.00 C ATOM 731 C VAL A 48 77.165 74.146 -52.195 1.00 0.00 C ATOM 732 O VAL A 48 77.823 73.194 -52.566 1.00 0.00 O ATOM 733 CB VAL A 48 75.682 73.434 -50.287 1.00 0.00 C ATOM 734 CG1 VAL A 48 74.256 73.500 -49.709 1.00 0.00 C ATOM 735 CG2 VAL A 48 76.202 71.990 -50.176 1.00 0.00 C ATOM 0 H VAL A 48 75.570 71.945 -52.598 1.00 0.00 H new ATOM 0 HA VAL A 48 75.091 74.819 -51.830 1.00 0.00 H new ATOM 0 HB VAL A 48 76.332 74.097 -49.717 1.00 0.00 H new ATOM 0 HG11 VAL A 48 74.267 73.158 -48.674 1.00 0.00 H new ATOM 0 HG12 VAL A 48 73.895 74.528 -49.748 1.00 0.00 H new ATOM 0 HG13 VAL A 48 73.596 72.861 -50.296 1.00 0.00 H new ATOM 0 HG21 VAL A 48 76.178 71.674 -49.133 1.00 0.00 H new ATOM 0 HG22 VAL A 48 75.571 71.329 -50.770 1.00 0.00 H new ATOM 0 HG23 VAL A 48 77.226 71.943 -50.546 1.00 0.00 H new ATOM 745 N PRO A 49 77.645 75.368 -52.132 1.00 0.00 N ATOM 746 CA PRO A 49 79.032 75.714 -52.544 1.00 0.00 C ATOM 747 C PRO A 49 79.978 75.309 -51.394 1.00 0.00 C ATOM 748 O PRO A 49 80.524 76.160 -50.720 1.00 0.00 O ATOM 749 CB PRO A 49 78.942 77.216 -52.814 1.00 0.00 C ATOM 750 CG PRO A 49 77.974 77.682 -51.692 1.00 0.00 C ATOM 751 CD PRO A 49 76.895 76.570 -51.661 1.00 0.00 C ATOM 0 HA PRO A 49 79.426 75.206 -53.425 1.00 0.00 H new ATOM 0 HB2 PRO A 49 79.915 77.703 -52.744 1.00 0.00 H new ATOM 0 HB3 PRO A 49 78.549 77.430 -53.808 1.00 0.00 H new ATOM 0 HG2 PRO A 49 78.485 77.773 -50.733 1.00 0.00 H new ATOM 0 HG3 PRO A 49 77.540 78.657 -51.915 1.00 0.00 H new ATOM 0 HD2 PRO A 49 76.490 76.427 -50.659 1.00 0.00 H new ATOM 0 HD3 PRO A 49 76.054 76.804 -52.314 1.00 0.00 H new ATOM 759 N VAL A 50 80.108 74.010 -51.229 1.00 0.00 N ATOM 760 CA VAL A 50 80.964 73.362 -50.178 1.00 0.00 C ATOM 761 C VAL A 50 82.136 74.207 -49.658 1.00 0.00 C ATOM 762 O VAL A 50 82.755 74.969 -50.376 1.00 0.00 O ATOM 763 CB VAL A 50 81.495 72.005 -50.746 1.00 0.00 C ATOM 764 CG1 VAL A 50 82.391 71.282 -49.699 1.00 0.00 C ATOM 765 CG2 VAL A 50 80.287 71.086 -51.055 1.00 0.00 C ATOM 0 H VAL A 50 79.623 73.334 -51.819 1.00 0.00 H new ATOM 0 HA VAL A 50 80.323 73.225 -49.307 1.00 0.00 H new ATOM 0 HB VAL A 50 82.078 72.209 -51.644 1.00 0.00 H new ATOM 0 HG11 VAL A 50 82.749 70.340 -50.115 1.00 0.00 H new ATOM 0 HG12 VAL A 50 83.242 71.916 -49.449 1.00 0.00 H new ATOM 0 HG13 VAL A 50 81.810 71.083 -48.799 1.00 0.00 H new ATOM 0 HG21 VAL A 50 80.645 70.136 -51.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 79.722 70.907 -50.140 1.00 0.00 H new ATOM 0 HG23 VAL A 50 79.643 71.567 -51.791 1.00 0.00 H new ATOM 775 N GLU A 51 82.395 74.002 -48.396 1.00 0.00 N ATOM 776 CA GLU A 51 83.486 74.723 -47.684 1.00 0.00 C ATOM 777 C GLU A 51 84.623 73.772 -47.287 1.00 0.00 C ATOM 778 O GLU A 51 85.726 73.902 -47.780 1.00 0.00 O ATOM 779 CB GLU A 51 82.842 75.381 -46.448 1.00 0.00 C ATOM 780 CG GLU A 51 83.878 76.158 -45.609 1.00 0.00 C ATOM 781 CD GLU A 51 83.200 76.698 -44.333 1.00 0.00 C ATOM 782 OE1 GLU A 51 82.286 77.494 -44.490 1.00 0.00 O ATOM 783 OE2 GLU A 51 83.634 76.285 -43.270 1.00 0.00 O ATOM 0 H GLU A 51 81.879 73.344 -47.812 1.00 0.00 H new ATOM 0 HA GLU A 51 83.940 75.474 -48.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 82.051 76.059 -46.768 1.00 0.00 H new ATOM 0 HB3 GLU A 51 82.375 74.614 -45.830 1.00 0.00 H new ATOM 0 HG2 GLU A 51 84.711 75.506 -45.344 1.00 0.00 H new ATOM 0 HG3 GLU A 51 84.291 76.982 -46.192 1.00 0.00 H new ATOM 790 N SER A 52 84.316 72.850 -46.408 1.00 0.00 N ATOM 791 CA SER A 52 85.339 71.865 -45.933 1.00 0.00 C ATOM 792 C SER A 52 84.854 70.420 -45.903 1.00 0.00 C ATOM 793 O SER A 52 83.684 70.157 -46.064 1.00 0.00 O ATOM 794 CB SER A 52 85.759 72.299 -44.527 1.00 0.00 C ATOM 795 OG SER A 52 86.524 73.478 -44.733 1.00 0.00 O ATOM 0 H SER A 52 83.391 72.736 -45.995 1.00 0.00 H new ATOM 0 HA SER A 52 86.168 71.872 -46.641 1.00 0.00 H new ATOM 0 HB2 SER A 52 84.892 72.494 -43.896 1.00 0.00 H new ATOM 0 HB3 SER A 52 86.347 71.526 -44.032 1.00 0.00 H new ATOM 0 HG SER A 52 86.832 73.823 -43.869 1.00 0.00 H new ATOM 801 N VAL A 53 85.786 69.521 -45.705 1.00 0.00 N ATOM 802 CA VAL A 53 85.451 68.068 -45.631 1.00 0.00 C ATOM 803 C VAL A 53 86.125 67.557 -44.366 1.00 0.00 C ATOM 804 O VAL A 53 87.289 67.823 -44.131 1.00 0.00 O ATOM 805 CB VAL A 53 85.991 67.236 -46.852 1.00 0.00 C ATOM 806 CG1 VAL A 53 85.071 67.477 -48.067 1.00 0.00 C ATOM 807 CG2 VAL A 53 87.444 67.598 -47.208 1.00 0.00 C ATOM 0 H VAL A 53 86.776 69.736 -45.590 1.00 0.00 H new ATOM 0 HA VAL A 53 84.367 67.952 -45.637 1.00 0.00 H new ATOM 0 HB VAL A 53 85.986 66.182 -46.574 1.00 0.00 H new ATOM 0 HG11 VAL A 53 85.437 66.905 -48.919 1.00 0.00 H new ATOM 0 HG12 VAL A 53 84.057 67.159 -47.824 1.00 0.00 H new ATOM 0 HG13 VAL A 53 85.069 68.538 -48.317 1.00 0.00 H new ATOM 0 HG21 VAL A 53 87.771 66.997 -48.057 1.00 0.00 H new ATOM 0 HG22 VAL A 53 87.502 68.655 -47.468 1.00 0.00 H new ATOM 0 HG23 VAL A 53 88.089 67.398 -46.352 1.00 0.00 H new ATOM 817 N VAL A 54 85.365 66.839 -43.586 1.00 0.00 N ATOM 818 CA VAL A 54 85.909 66.277 -42.315 1.00 0.00 C ATOM 819 C VAL A 54 85.849 64.772 -42.506 1.00 0.00 C ATOM 820 O VAL A 54 84.893 64.252 -43.043 1.00 0.00 O ATOM 821 CB VAL A 54 85.028 66.761 -41.120 1.00 0.00 C ATOM 822 CG1 VAL A 54 83.570 66.325 -41.286 1.00 0.00 C ATOM 823 CG2 VAL A 54 85.586 66.181 -39.803 1.00 0.00 C ATOM 0 H VAL A 54 84.388 66.616 -43.774 1.00 0.00 H new ATOM 0 HA VAL A 54 86.927 66.597 -42.092 1.00 0.00 H new ATOM 0 HB VAL A 54 85.058 67.850 -41.097 1.00 0.00 H new ATOM 0 HG11 VAL A 54 82.986 66.679 -40.437 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.166 66.748 -42.206 1.00 0.00 H new ATOM 0 HG13 VAL A 54 83.519 65.237 -41.334 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.972 66.518 -38.968 1.00 0.00 H new ATOM 0 HG22 VAL A 54 85.570 65.092 -39.849 1.00 0.00 H new ATOM 0 HG23 VAL A 54 86.611 66.523 -39.661 1.00 0.00 H new ATOM 833 N HIS A 55 86.891 64.139 -42.054 1.00 0.00 N ATOM 834 CA HIS A 55 87.011 62.662 -42.160 1.00 0.00 C ATOM 835 C HIS A 55 87.101 62.040 -40.776 1.00 0.00 C ATOM 836 O HIS A 55 88.167 61.826 -40.231 1.00 0.00 O ATOM 837 CB HIS A 55 88.257 62.332 -43.016 1.00 0.00 C ATOM 838 CG HIS A 55 89.312 63.425 -42.857 1.00 0.00 C ATOM 839 ND1 HIS A 55 90.360 63.398 -42.106 1.00 0.00 N ATOM 840 CD2 HIS A 55 89.350 64.656 -43.475 1.00 0.00 C ATOM 841 CE1 HIS A 55 91.005 64.514 -42.238 1.00 0.00 C ATOM 842 NE2 HIS A 55 90.412 65.327 -43.079 1.00 0.00 N ATOM 0 H HIS A 55 87.684 64.596 -41.604 1.00 0.00 H new ATOM 0 HA HIS A 55 86.128 62.243 -42.643 1.00 0.00 H new ATOM 0 HB2 HIS A 55 88.671 61.370 -42.713 1.00 0.00 H new ATOM 0 HB3 HIS A 55 87.973 62.241 -44.064 1.00 0.00 H new ATOM 0 HD2 HIS A 55 88.617 65.018 -44.181 1.00 0.00 H new ATOM 0 HE1 HIS A 55 91.922 64.747 -41.717 1.00 0.00 H new ATOM 0 HE2 HIS A 55 90.705 66.262 -43.361 1.00 0.00 H new ATOM 850 N THR A 56 85.930 61.776 -40.262 1.00 0.00 N ATOM 851 CA THR A 56 85.791 61.163 -38.912 1.00 0.00 C ATOM 852 C THR A 56 85.673 59.661 -39.187 1.00 0.00 C ATOM 853 O THR A 56 84.629 59.049 -39.073 1.00 0.00 O ATOM 854 CB THR A 56 84.523 61.736 -38.251 1.00 0.00 C ATOM 855 OG1 THR A 56 84.720 63.144 -38.271 1.00 0.00 O ATOM 856 CG2 THR A 56 84.487 61.386 -36.756 1.00 0.00 C ATOM 0 H THR A 56 85.045 61.964 -40.733 1.00 0.00 H new ATOM 0 HA THR A 56 86.621 61.366 -38.236 1.00 0.00 H new ATOM 0 HB THR A 56 83.631 61.365 -38.755 1.00 0.00 H new ATOM 0 HG1 THR A 56 83.947 63.588 -37.865 1.00 0.00 H new ATOM 0 HG21 THR A 56 83.584 61.800 -36.307 1.00 0.00 H new ATOM 0 HG22 THR A 56 84.489 60.303 -36.636 1.00 0.00 H new ATOM 0 HG23 THR A 56 85.363 61.807 -36.263 1.00 0.00 H new ATOM 864 N ILE A 57 86.816 59.142 -39.556 1.00 0.00 N ATOM 865 CA ILE A 57 86.979 57.695 -39.892 1.00 0.00 C ATOM 866 C ILE A 57 87.729 57.056 -38.704 1.00 0.00 C ATOM 867 O ILE A 57 88.209 57.760 -37.835 1.00 0.00 O ATOM 868 CB ILE A 57 87.794 57.612 -41.225 1.00 0.00 C ATOM 869 CG1 ILE A 57 87.142 58.566 -42.286 1.00 0.00 C ATOM 870 CG2 ILE A 57 87.757 56.158 -41.770 1.00 0.00 C ATOM 871 CD1 ILE A 57 88.001 58.672 -43.563 1.00 0.00 C ATOM 0 H ILE A 57 87.676 59.684 -39.641 1.00 0.00 H new ATOM 0 HA ILE A 57 86.036 57.169 -40.042 1.00 0.00 H new ATOM 0 HB ILE A 57 88.826 57.907 -41.037 1.00 0.00 H new ATOM 0 HG12 ILE A 57 86.149 58.198 -42.545 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.011 59.557 -41.852 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.325 56.103 -42.698 1.00 0.00 H new ATOM 0 HG22 ILE A 57 88.196 55.483 -41.035 1.00 0.00 H new ATOM 0 HG23 ILE A 57 86.724 55.867 -41.959 1.00 0.00 H new ATOM 0 HD11 ILE A 57 87.516 59.341 -44.273 1.00 0.00 H new ATOM 0 HD12 ILE A 57 88.985 59.065 -43.308 1.00 0.00 H new ATOM 0 HD13 ILE A 57 88.110 57.684 -44.011 1.00 0.00 H new ATOM 883 N GLU A 58 87.812 55.749 -38.696 1.00 0.00 N ATOM 884 CA GLU A 58 88.512 55.022 -37.588 1.00 0.00 C ATOM 885 C GLU A 58 89.783 54.282 -38.040 1.00 0.00 C ATOM 886 O GLU A 58 90.192 54.364 -39.182 1.00 0.00 O ATOM 887 CB GLU A 58 87.508 54.021 -36.968 1.00 0.00 C ATOM 888 CG GLU A 58 87.084 52.961 -38.018 1.00 0.00 C ATOM 889 CD GLU A 58 86.213 51.890 -37.337 1.00 0.00 C ATOM 890 OE1 GLU A 58 85.106 52.242 -36.962 1.00 0.00 O ATOM 891 OE2 GLU A 58 86.707 50.779 -37.229 1.00 0.00 O ATOM 0 H GLU A 58 87.420 55.146 -39.419 1.00 0.00 H new ATOM 0 HA GLU A 58 88.846 55.762 -36.860 1.00 0.00 H new ATOM 0 HB2 GLU A 58 87.960 53.529 -36.107 1.00 0.00 H new ATOM 0 HB3 GLU A 58 86.630 54.555 -36.605 1.00 0.00 H new ATOM 0 HG2 GLU A 58 86.530 53.436 -38.828 1.00 0.00 H new ATOM 0 HG3 GLU A 58 87.966 52.500 -38.463 1.00 0.00 H new ATOM 898 N SER A 59 90.333 53.589 -37.071 1.00 0.00 N ATOM 899 CA SER A 59 91.575 52.755 -37.182 1.00 0.00 C ATOM 900 C SER A 59 92.326 52.785 -38.529 1.00 0.00 C ATOM 901 O SER A 59 92.257 51.860 -39.316 1.00 0.00 O ATOM 902 CB SER A 59 91.175 51.306 -36.830 1.00 0.00 C ATOM 903 OG SER A 59 90.683 51.398 -35.500 1.00 0.00 O ATOM 0 H SER A 59 89.935 53.569 -36.132 1.00 0.00 H new ATOM 0 HA SER A 59 92.298 53.193 -36.494 1.00 0.00 H new ATOM 0 HB2 SER A 59 90.414 50.925 -37.511 1.00 0.00 H new ATOM 0 HB3 SER A 59 92.028 50.630 -36.894 1.00 0.00 H new ATOM 0 HG SER A 59 90.401 50.511 -35.193 1.00 0.00 H new ATOM 909 N ASP A 60 93.022 53.873 -38.737 1.00 0.00 N ATOM 910 CA ASP A 60 93.818 54.074 -39.991 1.00 0.00 C ATOM 911 C ASP A 60 95.312 54.141 -39.631 1.00 0.00 C ATOM 912 O ASP A 60 95.636 54.268 -38.466 1.00 0.00 O ATOM 913 CB ASP A 60 93.332 55.383 -40.652 1.00 0.00 C ATOM 914 CG ASP A 60 93.348 56.541 -39.634 1.00 0.00 C ATOM 915 OD1 ASP A 60 94.441 56.970 -39.300 1.00 0.00 O ATOM 916 OD2 ASP A 60 92.258 56.928 -39.244 1.00 0.00 O ATOM 0 H ASP A 60 93.075 54.649 -38.077 1.00 0.00 H new ATOM 0 HA ASP A 60 93.681 53.250 -40.691 1.00 0.00 H new ATOM 0 HB2 ASP A 60 93.971 55.628 -41.500 1.00 0.00 H new ATOM 0 HB3 ASP A 60 92.323 55.248 -41.042 1.00 0.00 H new ATOM 921 N SER A 61 96.139 54.062 -40.653 1.00 0.00 N ATOM 922 CA SER A 61 97.650 54.097 -40.578 1.00 0.00 C ATOM 923 C SER A 61 98.197 53.015 -41.532 1.00 0.00 C ATOM 924 O SER A 61 98.519 51.911 -41.134 1.00 0.00 O ATOM 925 CB SER A 61 98.199 53.789 -39.132 1.00 0.00 C ATOM 926 OG SER A 61 97.630 52.541 -38.750 1.00 0.00 O ATOM 0 H SER A 61 95.800 53.967 -41.610 1.00 0.00 H new ATOM 0 HA SER A 61 97.973 55.102 -40.850 1.00 0.00 H new ATOM 0 HB2 SER A 61 99.288 53.737 -39.132 1.00 0.00 H new ATOM 0 HB3 SER A 61 97.917 54.576 -38.433 1.00 0.00 H new ATOM 0 HG SER A 61 97.753 51.891 -39.473 1.00 0.00 H new ATOM 932 N GLU A 62 98.284 53.381 -42.787 1.00 0.00 N ATOM 933 CA GLU A 62 98.791 52.441 -43.840 1.00 0.00 C ATOM 934 C GLU A 62 100.216 52.833 -44.266 1.00 0.00 C ATOM 935 O GLU A 62 100.771 53.790 -43.762 1.00 0.00 O ATOM 936 CB GLU A 62 97.847 52.502 -45.065 1.00 0.00 C ATOM 937 CG GLU A 62 96.343 52.402 -44.668 1.00 0.00 C ATOM 938 CD GLU A 62 96.002 51.075 -43.957 1.00 0.00 C ATOM 939 OE1 GLU A 62 96.372 50.948 -42.801 1.00 0.00 O ATOM 940 OE2 GLU A 62 95.384 50.253 -44.616 1.00 0.00 O ATOM 0 H GLU A 62 98.022 54.304 -43.133 1.00 0.00 H new ATOM 0 HA GLU A 62 98.815 51.428 -43.437 1.00 0.00 H new ATOM 0 HB2 GLU A 62 98.016 53.435 -45.603 1.00 0.00 H new ATOM 0 HB3 GLU A 62 98.093 51.690 -45.750 1.00 0.00 H new ATOM 0 HG2 GLU A 62 96.088 53.236 -44.014 1.00 0.00 H new ATOM 0 HG3 GLU A 62 95.728 52.499 -45.563 1.00 0.00 H new ATOM 947 N PHE A 63 100.749 52.059 -45.184 1.00 0.00 N ATOM 948 CA PHE A 63 102.131 52.269 -45.738 1.00 0.00 C ATOM 949 C PHE A 63 103.231 52.087 -44.680 1.00 0.00 C ATOM 950 O PHE A 63 102.958 51.817 -43.527 1.00 0.00 O ATOM 951 CB PHE A 63 102.234 53.700 -46.354 1.00 0.00 C ATOM 952 CG PHE A 63 101.242 53.812 -47.523 1.00 0.00 C ATOM 953 CD1 PHE A 63 101.457 53.091 -48.684 1.00 0.00 C ATOM 954 CD2 PHE A 63 100.127 54.625 -47.433 1.00 0.00 C ATOM 955 CE1 PHE A 63 100.573 53.180 -49.737 1.00 0.00 C ATOM 956 CE2 PHE A 63 99.242 54.716 -48.488 1.00 0.00 C ATOM 957 CZ PHE A 63 99.464 53.992 -49.641 1.00 0.00 C ATOM 0 H PHE A 63 100.264 51.258 -45.588 1.00 0.00 H new ATOM 0 HA PHE A 63 102.290 51.509 -46.503 1.00 0.00 H new ATOM 0 HB2 PHE A 63 102.012 54.453 -45.598 1.00 0.00 H new ATOM 0 HB3 PHE A 63 103.250 53.888 -46.702 1.00 0.00 H new ATOM 0 HD1 PHE A 63 102.325 52.453 -48.766 1.00 0.00 H new ATOM 0 HD2 PHE A 63 99.948 55.192 -46.532 1.00 0.00 H new ATOM 0 HE1 PHE A 63 100.750 52.613 -50.639 1.00 0.00 H new ATOM 0 HE2 PHE A 63 98.375 55.355 -48.411 1.00 0.00 H new ATOM 0 HZ PHE A 63 98.771 54.061 -50.466 1.00 0.00 H new ATOM 967 N GLY A 64 104.450 52.245 -45.133 1.00 0.00 N ATOM 968 CA GLY A 64 105.652 52.108 -44.254 1.00 0.00 C ATOM 969 C GLY A 64 106.384 53.451 -44.233 1.00 0.00 C ATOM 970 O GLY A 64 106.560 54.050 -43.190 1.00 0.00 O ATOM 0 H GLY A 64 104.667 52.470 -46.104 1.00 0.00 H new ATOM 0 HA2 GLY A 64 105.355 51.821 -43.245 1.00 0.00 H new ATOM 0 HA3 GLY A 64 106.309 51.323 -44.628 1.00 0.00 H new ATOM 974 N ASP A 65 106.785 53.870 -45.408 1.00 0.00 N ATOM 975 CA ASP A 65 107.516 55.164 -45.580 1.00 0.00 C ATOM 976 C ASP A 65 106.622 56.034 -46.491 1.00 0.00 C ATOM 977 O ASP A 65 105.412 55.983 -46.367 1.00 0.00 O ATOM 978 CB ASP A 65 108.898 54.840 -46.220 1.00 0.00 C ATOM 979 CG ASP A 65 109.880 56.016 -46.070 1.00 0.00 C ATOM 980 OD1 ASP A 65 110.148 56.362 -44.931 1.00 0.00 O ATOM 981 OD2 ASP A 65 110.310 56.504 -47.103 1.00 0.00 O ATOM 0 H ASP A 65 106.632 53.356 -46.276 1.00 0.00 H new ATOM 0 HA ASP A 65 107.705 55.699 -44.650 1.00 0.00 H new ATOM 0 HB2 ASP A 65 109.319 53.951 -45.749 1.00 0.00 H new ATOM 0 HB3 ASP A 65 108.765 54.608 -47.277 1.00 0.00 H new ATOM 986 N GLN A 66 107.219 56.801 -47.370 1.00 0.00 N ATOM 987 CA GLN A 66 106.440 57.683 -48.300 1.00 0.00 C ATOM 988 C GLN A 66 106.442 57.119 -49.728 1.00 0.00 C ATOM 989 O GLN A 66 105.457 57.243 -50.430 1.00 0.00 O ATOM 990 CB GLN A 66 107.048 59.121 -48.318 1.00 0.00 C ATOM 991 CG GLN A 66 108.597 59.110 -48.363 1.00 0.00 C ATOM 992 CD GLN A 66 109.157 59.274 -46.940 1.00 0.00 C ATOM 993 OE1 GLN A 66 108.713 58.654 -45.994 1.00 0.00 O ATOM 994 NE2 GLN A 66 110.142 60.108 -46.748 1.00 0.00 N ATOM 0 H GLN A 66 108.231 56.855 -47.486 1.00 0.00 H new ATOM 0 HA GLN A 66 105.413 57.722 -47.937 1.00 0.00 H new ATOM 0 HB2 GLN A 66 106.666 59.662 -49.184 1.00 0.00 H new ATOM 0 HB3 GLN A 66 106.717 59.663 -47.432 1.00 0.00 H new ATOM 0 HG2 GLN A 66 108.951 58.176 -48.798 1.00 0.00 H new ATOM 0 HG3 GLN A 66 108.958 59.916 -49.002 1.00 0.00 H new ATOM 0 HE21 GLN A 66 110.524 60.635 -47.533 1.00 0.00 H new ATOM 0 HE22 GLN A 66 110.530 60.233 -45.813 1.00 0.00 H new ATOM 1003 N LEU A 67 107.540 56.518 -50.112 1.00 0.00 N ATOM 1004 CA LEU A 67 107.667 55.929 -51.484 1.00 0.00 C ATOM 1005 C LEU A 67 107.821 54.404 -51.422 1.00 0.00 C ATOM 1006 O LEU A 67 107.192 53.692 -52.182 1.00 0.00 O ATOM 1007 CB LEU A 67 108.896 56.550 -52.181 1.00 0.00 C ATOM 1008 CG LEU A 67 108.775 58.100 -52.252 1.00 0.00 C ATOM 1009 CD1 LEU A 67 110.074 58.671 -52.849 1.00 0.00 C ATOM 1010 CD2 LEU A 67 107.590 58.520 -53.158 1.00 0.00 C ATOM 0 H LEU A 67 108.367 56.408 -49.525 1.00 0.00 H new ATOM 0 HA LEU A 67 106.760 56.151 -52.047 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.802 56.277 -51.639 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.992 56.143 -53.188 1.00 0.00 H new ATOM 0 HG LEU A 67 108.605 58.484 -51.246 1.00 0.00 H new ATOM 0 HD11 LEU A 67 110.002 59.757 -52.904 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.917 58.395 -52.216 1.00 0.00 H new ATOM 0 HD13 LEU A 67 110.223 58.266 -53.850 1.00 0.00 H new ATOM 0 HD21 LEU A 67 107.526 59.608 -53.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.747 58.134 -54.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.662 58.114 -52.755 1.00 0.00 H new ATOM 1022 N ILE A 68 108.654 53.959 -50.517 1.00 0.00 N ATOM 1023 CA ILE A 68 108.911 52.490 -50.339 1.00 0.00 C ATOM 1024 C ILE A 68 108.401 51.973 -48.974 1.00 0.00 C ATOM 1025 O ILE A 68 107.759 52.749 -48.286 1.00 0.00 O ATOM 1026 CB ILE A 68 110.462 52.221 -50.486 1.00 0.00 C ATOM 1027 CG1 ILE A 68 111.359 52.768 -49.315 1.00 0.00 C ATOM 1028 CG2 ILE A 68 110.961 52.769 -51.847 1.00 0.00 C ATOM 1029 CD1 ILE A 68 111.329 54.300 -49.149 1.00 0.00 C ATOM 1030 OXT ILE A 68 108.674 50.818 -48.688 1.00 0.00 O ATOM 0 H ILE A 68 109.178 54.559 -49.880 1.00 0.00 H new ATOM 0 HA ILE A 68 108.361 51.948 -51.108 1.00 0.00 H new ATOM 0 HB ILE A 68 110.572 51.138 -50.435 1.00 0.00 H new ATOM 0 HG12 ILE A 68 111.036 52.308 -48.381 1.00 0.00 H new ATOM 0 HG13 ILE A 68 112.389 52.454 -49.486 1.00 0.00 H new ATOM 0 HG21 ILE A 68 112.030 52.582 -51.945 1.00 0.00 H new ATOM 0 HG22 ILE A 68 110.430 52.270 -52.657 1.00 0.00 H new ATOM 0 HG23 ILE A 68 110.774 53.842 -51.898 1.00 0.00 H new ATOM 0 HD11 ILE A 68 111.975 54.589 -48.320 1.00 0.00 H new ATOM 0 HD12 ILE A 68 111.682 54.772 -50.066 1.00 0.00 H new ATOM 0 HD13 ILE A 68 110.309 54.624 -48.944 1.00 0.00 H new TER 1042 ILE A 68 HETATM 1043 ZN ZN A 70 75.164 68.373 -49.531 0.11 0.00 ZN HETATM 1044 ZN ZN A 71 82.756 56.795 -52.704 0.31 0.00 ZN CONECT 114 1044 CONECT 157 1044 CONECT 344 1043 CONECT 374 1043 CONECT 419 1044 CONECT 466 1044 CONECT 659 1043 CONECT 702 1043 CONECT 1043 344 374 659 702 CONECT 1044 114 157 419 466 END