USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) HEADER GLUCOCORTICOID RECEPTOR 15-MAR-94 1GDC TITLE REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR TITLE 2 DNA-BINDING DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: GLUCOCORTICOID RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116 KEYWDS GLUCOCORTICOID RECEPTOR EXPDTA SOLUTION NMR AUTHOR H.BAUMANN,K.PAULSEN,H.KOVACS,H.BERGLUND,A.P.H.WRIGHT,J.- AUTHOR 2 A.GUSTAFSSON,T.HARD REVDAT 3 24-FEB-09 1GDC 1 VERSN REVDAT 2 01-APR-03 1GDC 1 JRNL REVDAT 1 22-JUN-94 1GDC 0 JRNL AUTH H.BAUMANN,K.PAULSEN,H.KOVACS,H.BERGLUND,A.P.WRIGHT, JRNL AUTH 2 J.A.GUSTAFSSON,T.HARD JRNL TITL REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID JRNL TITL 2 RECEPTOR DNA-BINDING DOMAIN. JRNL REF BIOCHEMISTRY V. 32 13463 1993 JRNL REFN ISSN 0006-2960 JRNL PMID 8257681 JRNL DOI 10.1021/BI00212A011 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.HARD,J.-A.GUSTAFSSON REMARK 1 TITL STRUCTURE AND FUNCTION OF THE DNA-BINDING DOMAIN REMARK 1 TITL 2 OF THE GLUCOCORTICOID RECEPTOR AND OTHER MEMBERS REMARK 1 TITL 3 OF THE NUCLEAR RECEPTOR SUPERGENE FAMILY REMARK 1 REF ACC.CHEM.RES. V. 26 644 1993 REMARK 1 REFN ISSN 0001-4842 REMARK 1 REFERENCE 2 REMARK 1 AUTH H.BERGLUND,H.KOVACS,K.DAHLMAN-WRIGHT, REMARK 1 AUTH 2 J.-A.GUSTAFSSON,T.HARD REMARK 1 TITL BACKBONE DYNAMICS OF THE GLUCOCORTICOID RECEPTOR REMARK 1 TITL 2 DNA-BINDING DOMAIN REMARK 1 REF BIOCHEMISTRY V. 31 12001 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH B.F.LUISI,W.X.XU,Z.OTWINOWSKI,L.P.FREEDMAN, REMARK 1 AUTH 2 K.R.YAMAMOTO,P.B.SIGLER REMARK 1 TITL CRYSTALLOGRAPHIC ANALYSIS OF THE INTERACTION OF REMARK 1 TITL 2 THE GLUCOCORTICOID RECEPTOR WITH DNA REMARK 1 REF NATURE V. 352 497 1991 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 4 REMARK 1 AUTH T.HARD,E.KELLENBACH,R.BOELENS,R.KAPTEIN,K.DAHLMAN, REMARK 1 AUTH 2 J.CARLSTEDT-DUKE,L.P.FREEDMAN,B.A.MALER,E.HYDE, REMARK 1 AUTH 3 J.-A.GUSTAFSSON,K.R.YAMAMOTO REMARK 1 TITL 1H NMR STUDIES OF THE GLUCOCORTICOID RECEPTOR REMARK 1 TITL 2 DNA-BINDING DOMAIN: SEQUENTIAL ASSIGNMENTS AND REMARK 1 TITL 3 IDENTIFICATION OF SECONDARY STRUCTURE ELEMENTS REMARK 1 REF BIOCHEMISTRY V. 29 9015 1990 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 5 REMARK 1 AUTH T.HARD,E.KELLENBACH,R.BOELENS,B.A.MALER,K.DAHLMAN, REMARK 1 AUTH 2 L.P.FREEDMAN,J.CARLSTEDT-DUKE,K.R.YAMAMOTO, REMARK 1 AUTH 3 J.-A.GUSTAFSSON,R.KAPTEIN REMARK 1 TITL SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR REMARK 1 TITL 2 DNA-BINDING DOMAIN REMARK 1 REF SCIENCE V. 249 157 1990 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII, CHARMM REMARK 3 AUTHORS : HAVEL (DGII), BROOKS (CHARMM) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GDC 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: 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 VAL A 4 -70.07 -120.21 REMARK 500 SER A 6 54.83 39.08 REMARK 500 TYR A 14 -115.14 82.17 REMARK 500 CYS A 19 -159.02 -80.52 REMARK 500 VAL A 30 -69.24 -104.37 REMARK 500 CYS A 38 52.72 -175.22 REMARK 500 ARG A 41 -91.09 -122.10 REMARK 500 ASN A 42 61.25 69.63 REMARK 500 ILE A 49 -53.52 -121.76 REMARK 500 GLU A 70 62.43 -158.02 REMARK 500 ALA A 71 -131.70 -104.26 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 28 0.09 SIDE_CHAIN REMARK 500 ARG A 41 0.13 SIDE_CHAIN REMARK 500 ARG A 50 0.08 SIDE_CHAIN REMARK 500 ARG A 51 0.10 SIDE_CHAIN REMARK 500 ARG A 58 0.17 SIDE_CHAIN REMARK 500 ARG A 60 0.11 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 73 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 5 SG REMARK 620 2 CYS A 22 SG 109.9 REMARK 620 3 CYS A 2 SG 112.4 108.1 REMARK 620 4 CYS A 19 SG 109.0 109.1 108.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 74 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 57 SG REMARK 620 2 CYS A 38 SG 108.5 REMARK 620 3 CYS A 54 SG 110.1 108.4 REMARK 620 4 CYS A 44 SG 111.6 110.2 107.9 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 73 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 74 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2GDA RELATED DB: PDB DBREF 1GDC A 1 72 UNP P06536 GCR_RAT 439 510 SEQRES 1 A 72 LEU CYS LEU VAL CYS SER ASP GLU ALA SER GLY CYS HIS SEQRES 2 A 72 TYR GLY VAL LEU THR CYS GLY SER CYS LYS VAL PHE PHE SEQRES 3 A 72 LYS ARG ALA VAL GLU GLY GLN HIS ASN TYR LEU CYS ALA SEQRES 4 A 72 GLY ARG ASN ASP CYS ILE ILE ASP LYS ILE ARG ARG LYS SEQRES 5 A 72 ASN CYS PRO ALA CYS ARG TYR ARG LYS CYS LEU GLN ALA SEQRES 6 A 72 GLY MET ASN LEU GLU ALA ARG HET ZN A 73 1 HET ZN A 74 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) HELIX 1 1 GLY A 20 GLU A 31 1 12 HELIX 2 2 ILE A 49 ASN A 53 5 5 HELIX 3 3 ALA A 56 GLY A 66 1 11 SHEET 1 A 2 GLY A 11 HIS A 13 0 SHEET 2 A 2 VAL A 16 THR A 18 -1 O VAL A 16 N HIS A 13 LINK ZN ZN A 73 SG CYS A 5 1555 1555 2.32 LINK ZN ZN A 73 SG CYS A 22 1555 1555 2.31 LINK ZN ZN A 73 SG CYS A 2 1555 1555 2.32 LINK ZN ZN A 73 SG CYS A 19 1555 1555 2.33 LINK ZN ZN A 74 SG CYS A 57 1555 1555 2.32 LINK ZN ZN A 74 SG CYS A 38 1555 1555 2.32 LINK ZN ZN A 74 SG CYS A 54 1555 1555 2.32 LINK ZN ZN A 74 SG CYS A 44 1555 1555 2.34 SITE *** AC1 4 CYS A 2 CYS A 5 CYS A 19 CYS A 22 SITE *** AC2 4 CYS A 38 CYS A 44 CYS A 54 CYS A 57 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -70:sc= 0.0766 USER MOD Set 1.2: A 67 MET CE :methyl -161:sc= -0.556 (180deg=-1.02) USER MOD Single : A 1 LEU N :NH3+ -148:sc= 0 (180deg=-0.349) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0281 USER MOD Single : A 13 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.0045) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.994 K(o=-0.99,f=-0.19) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 36 TYR OH : rot 166:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -30:sc= 0.434 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.884 K(o=-0.88,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.888 12.810 -1.261 1.00 0.00 N ATOM 2 CA LEU A 1 3.556 12.254 -1.019 1.00 0.00 C ATOM 3 C LEU A 1 3.554 10.777 -1.277 1.00 0.00 C ATOM 4 O LEU A 1 4.200 10.300 -2.210 1.00 0.00 O ATOM 5 CB LEU A 1 2.497 12.918 -1.940 1.00 0.00 C ATOM 6 CG LEU A 1 2.291 14.442 -1.739 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.339 15.023 -2.800 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.823 14.792 -0.315 1.00 0.00 C ATOM 0 H1 LEU A 1 5.052 13.611 -0.619 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.606 12.077 -1.091 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.954 13.137 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 1 3.302 12.453 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.783 12.742 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.542 12.417 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 1 3.267 14.909 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.216 16.093 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.757 14.858 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.369 14.530 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.694 15.871 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.874 14.296 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.569 14.457 0.406 1.00 0.00 H new ATOM 22 N CYS A 2 2.754 10.014 -0.464 1.00 0.00 N ATOM 23 CA CYS A 2 2.501 8.589 -0.499 1.00 0.00 C ATOM 24 C CYS A 2 1.758 8.415 -1.780 1.00 0.00 C ATOM 25 O CYS A 2 0.795 9.134 -2.024 1.00 0.00 O ATOM 26 CB CYS A 2 1.712 8.058 0.736 1.00 0.00 C ATOM 27 SG CYS A 2 1.389 6.258 0.676 1.00 0.00 S ATOM 0 H CYS A 2 2.234 10.454 0.295 1.00 0.00 H new ATOM 0 HA CYS A 2 3.420 8.005 -0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.272 8.289 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.762 8.588 0.805 1.00 0.00 H new ATOM 32 N LEU A 3 2.207 7.474 -2.634 1.00 0.00 N ATOM 33 CA LEU A 3 1.633 7.312 -3.941 1.00 0.00 C ATOM 34 C LEU A 3 0.702 6.139 -3.987 1.00 0.00 C ATOM 35 O LEU A 3 0.373 5.597 -5.043 1.00 0.00 O ATOM 36 CB LEU A 3 2.742 7.131 -4.981 1.00 0.00 C ATOM 37 CG LEU A 3 3.553 8.425 -5.223 1.00 0.00 C ATOM 38 CD1 LEU A 3 4.860 8.165 -5.992 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.721 9.525 -5.912 1.00 0.00 C ATOM 0 H LEU A 3 2.966 6.826 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 3 1.060 8.211 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.417 6.341 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.301 6.802 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 3 3.822 8.792 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.391 9.106 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.486 7.478 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.630 7.727 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.339 10.411 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.370 9.164 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.865 9.779 -5.287 1.00 0.00 H new ATOM 51 N VAL A 4 0.248 5.757 -2.787 1.00 0.00 N ATOM 52 CA VAL A 4 -0.628 4.653 -2.533 1.00 0.00 C ATOM 53 C VAL A 4 -1.868 5.159 -1.885 1.00 0.00 C ATOM 54 O VAL A 4 -2.939 5.115 -2.482 1.00 0.00 O ATOM 55 CB VAL A 4 0.028 3.561 -1.651 1.00 0.00 C ATOM 56 CG1 VAL A 4 -0.832 2.292 -1.547 1.00 0.00 C ATOM 57 CG2 VAL A 4 1.478 3.305 -2.085 1.00 0.00 C ATOM 0 H VAL A 4 0.508 6.250 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.861 4.184 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 4 0.078 3.936 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.326 1.560 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.798 2.542 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.984 1.873 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.917 2.535 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.494 2.973 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.054 4.225 -1.989 1.00 0.00 H new ATOM 67 N CYS A 5 -1.748 5.606 -0.616 1.00 0.00 N ATOM 68 CA CYS A 5 -2.877 6.043 0.166 1.00 0.00 C ATOM 69 C CYS A 5 -2.850 7.539 0.256 1.00 0.00 C ATOM 70 O CYS A 5 -3.438 8.116 1.165 1.00 0.00 O ATOM 71 CB CYS A 5 -3.027 5.342 1.552 1.00 0.00 C ATOM 72 SG CYS A 5 -1.749 5.649 2.836 1.00 0.00 S ATOM 0 H CYS A 5 -0.857 5.666 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.782 5.728 -0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.991 5.634 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.068 4.267 1.376 1.00 0.00 H new ATOM 77 N SER A 6 -2.191 8.184 -0.746 1.00 0.00 N ATOM 78 CA SER A 6 -2.230 9.615 -1.065 1.00 0.00 C ATOM 79 C SER A 6 -2.249 10.565 0.108 1.00 0.00 C ATOM 80 O SER A 6 -3.132 11.407 0.269 1.00 0.00 O ATOM 81 CB SER A 6 -3.329 9.935 -2.099 1.00 0.00 C ATOM 82 OG SER A 6 -3.531 8.862 -3.012 1.00 0.00 O ATOM 0 H SER A 6 -1.583 7.673 -1.386 1.00 0.00 H new ATOM 0 HA SER A 6 -1.257 9.809 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.263 10.150 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.056 10.834 -2.651 1.00 0.00 H new ATOM 0 HG SER A 6 -4.236 9.103 -3.649 1.00 0.00 H new ATOM 88 N ASP A 7 -1.230 10.372 0.962 1.00 0.00 N ATOM 89 CA ASP A 7 -1.046 11.020 2.235 1.00 0.00 C ATOM 90 C ASP A 7 0.310 11.651 2.136 1.00 0.00 C ATOM 91 O ASP A 7 1.039 11.384 1.191 1.00 0.00 O ATOM 92 CB ASP A 7 -1.085 9.888 3.308 1.00 0.00 C ATOM 93 CG ASP A 7 -0.944 10.313 4.780 1.00 0.00 C ATOM 94 OD1 ASP A 7 -1.775 11.129 5.256 1.00 0.00 O ATOM 95 OD2 ASP A 7 0.013 9.824 5.439 1.00 0.00 O ATOM 0 H ASP A 7 -0.477 9.716 0.753 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.793 11.770 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.028 9.351 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.287 9.180 3.082 1.00 0.00 H new ATOM 100 N GLU A 8 0.712 12.472 3.141 1.00 0.00 N ATOM 101 CA GLU A 8 2.015 13.101 3.235 1.00 0.00 C ATOM 102 C GLU A 8 3.053 12.031 3.506 1.00 0.00 C ATOM 103 O GLU A 8 3.026 11.411 4.569 1.00 0.00 O ATOM 104 CB GLU A 8 2.102 14.267 4.257 1.00 0.00 C ATOM 105 CG GLU A 8 0.729 14.828 4.708 1.00 0.00 C ATOM 106 CD GLU A 8 0.835 16.017 5.678 1.00 0.00 C ATOM 107 OE1 GLU A 8 1.967 16.411 6.066 1.00 0.00 O ATOM 108 OE2 GLU A 8 -0.248 16.547 6.046 1.00 0.00 O ATOM 0 H GLU A 8 0.103 12.709 3.924 1.00 0.00 H new ATOM 0 HA GLU A 8 2.210 13.584 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.647 13.923 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.685 15.076 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.166 15.138 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.160 14.031 5.186 1.00 0.00 H new ATOM 115 N ALA A 9 3.977 11.777 2.537 1.00 0.00 N ATOM 116 CA ALA A 9 4.987 10.741 2.658 1.00 0.00 C ATOM 117 C ALA A 9 6.134 11.238 3.485 1.00 0.00 C ATOM 118 O ALA A 9 6.511 12.408 3.425 1.00 0.00 O ATOM 119 CB ALA A 9 5.535 10.198 1.324 1.00 0.00 C ATOM 0 H ALA A 9 4.024 12.296 1.660 1.00 0.00 H new ATOM 0 HA ALA A 9 4.475 9.906 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.282 9.430 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.719 9.768 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.992 11.011 0.760 1.00 0.00 H new ATOM 125 N SER A 10 6.706 10.303 4.282 1.00 0.00 N ATOM 126 CA SER A 10 7.797 10.538 5.199 1.00 0.00 C ATOM 127 C SER A 10 9.115 10.447 4.460 1.00 0.00 C ATOM 128 O SER A 10 10.062 11.175 4.757 1.00 0.00 O ATOM 129 CB SER A 10 7.757 9.571 6.412 1.00 0.00 C ATOM 130 OG SER A 10 7.837 8.196 6.047 1.00 0.00 O ATOM 0 H SER A 10 6.392 9.333 4.288 1.00 0.00 H new ATOM 0 HA SER A 10 7.690 11.544 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.582 9.809 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.835 9.738 6.969 1.00 0.00 H new ATOM 0 HG SER A 10 7.809 7.641 6.854 1.00 0.00 H new ATOM 136 N GLY A 11 9.169 9.528 3.470 1.00 0.00 N ATOM 137 CA GLY A 11 10.325 9.290 2.653 1.00 0.00 C ATOM 138 C GLY A 11 10.029 8.041 1.889 1.00 0.00 C ATOM 139 O GLY A 11 9.145 7.269 2.261 1.00 0.00 O ATOM 0 H GLY A 11 8.378 8.930 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.508 10.127 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.219 9.172 3.265 1.00 0.00 H new ATOM 143 N CYS A 12 10.792 7.804 0.790 1.00 0.00 N ATOM 144 CA CYS A 12 10.636 6.665 -0.101 1.00 0.00 C ATOM 145 C CYS A 12 11.310 5.453 0.495 1.00 0.00 C ATOM 146 O CYS A 12 12.294 5.588 1.222 1.00 0.00 O ATOM 147 CB CYS A 12 11.168 6.951 -1.537 1.00 0.00 C ATOM 148 SG CYS A 12 12.900 7.545 -1.627 1.00 0.00 S ATOM 0 H CYS A 12 11.548 8.427 0.507 1.00 0.00 H new ATOM 0 HA CYS A 12 9.569 6.470 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.083 6.038 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.522 7.694 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 12 13.226 7.745 -2.869 1.00 0.00 H new ATOM 154 N HIS A 13 10.778 4.239 0.203 1.00 0.00 N ATOM 155 CA HIS A 13 11.345 3.023 0.735 1.00 0.00 C ATOM 156 C HIS A 13 10.870 1.961 -0.186 1.00 0.00 C ATOM 157 O HIS A 13 9.711 1.959 -0.597 1.00 0.00 O ATOM 158 CB HIS A 13 10.923 2.665 2.183 1.00 0.00 C ATOM 159 CG HIS A 13 12.080 2.702 3.145 1.00 0.00 C ATOM 160 ND1 HIS A 13 12.438 3.877 3.785 1.00 0.00 N ATOM 161 CD2 HIS A 13 12.944 1.702 3.473 1.00 0.00 C ATOM 162 CE1 HIS A 13 13.511 3.562 4.487 1.00 0.00 C ATOM 163 NE2 HIS A 13 13.861 2.260 4.334 1.00 0.00 N ATOM 0 H HIS A 13 9.964 4.100 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 13 12.427 3.137 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.154 3.362 2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.478 1.670 2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.915 0.679 3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 13 14.048 4.260 5.111 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.651 1.786 4.772 1.00 0.00 H new ATOM 171 N TYR A 14 11.792 1.017 -0.524 1.00 0.00 N ATOM 172 CA TYR A 14 11.576 -0.109 -1.401 1.00 0.00 C ATOM 173 C TYR A 14 11.742 0.475 -2.775 1.00 0.00 C ATOM 174 O TYR A 14 12.829 0.961 -3.089 1.00 0.00 O ATOM 175 CB TYR A 14 10.338 -1.005 -1.055 1.00 0.00 C ATOM 176 CG TYR A 14 10.438 -1.473 0.401 1.00 0.00 C ATOM 177 CD1 TYR A 14 11.640 -1.979 0.950 1.00 0.00 C ATOM 178 CD2 TYR A 14 9.327 -1.431 1.251 1.00 0.00 C ATOM 179 CE1 TYR A 14 11.771 -2.272 2.311 1.00 0.00 C ATOM 180 CE2 TYR A 14 9.441 -1.755 2.606 1.00 0.00 C ATOM 181 CZ TYR A 14 10.666 -2.140 3.151 1.00 0.00 C ATOM 182 OH TYR A 14 10.773 -2.422 4.530 1.00 0.00 O ATOM 0 H TYR A 14 12.745 1.046 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 14 12.295 -0.919 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.416 -0.444 -1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.300 -1.865 -1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.484 -2.144 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.365 -1.143 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.721 -2.598 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.568 -1.707 3.240 1.00 0.00 H new ATOM 0 HH TYR A 14 9.906 -2.275 4.962 1.00 0.00 H new ATOM 192 N GLY A 15 10.680 0.501 -3.599 1.00 0.00 N ATOM 193 CA GLY A 15 10.745 1.042 -4.936 1.00 0.00 C ATOM 194 C GLY A 15 10.140 2.411 -5.112 1.00 0.00 C ATOM 195 O GLY A 15 10.436 3.049 -6.122 1.00 0.00 O ATOM 0 H GLY A 15 9.760 0.144 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.790 1.084 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.242 0.352 -5.613 1.00 0.00 H new ATOM 199 N VAL A 16 9.288 2.917 -4.169 1.00 0.00 N ATOM 200 CA VAL A 16 8.489 4.108 -4.441 1.00 0.00 C ATOM 201 C VAL A 16 8.400 4.970 -3.216 1.00 0.00 C ATOM 202 O VAL A 16 8.585 4.512 -2.090 1.00 0.00 O ATOM 203 CB VAL A 16 7.036 3.737 -4.889 1.00 0.00 C ATOM 204 CG1 VAL A 16 6.180 4.867 -5.474 1.00 0.00 C ATOM 205 CG2 VAL A 16 7.001 2.592 -5.902 1.00 0.00 C ATOM 0 H VAL A 16 9.153 2.515 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 16 8.985 4.647 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 16 6.598 3.453 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.198 4.478 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.066 5.658 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.667 5.270 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.967 2.379 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.561 2.877 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.450 1.702 -5.461 1.00 0.00 H new ATOM 215 N LEU A 17 7.979 6.239 -3.464 1.00 0.00 N ATOM 216 CA LEU A 17 7.692 7.300 -2.521 1.00 0.00 C ATOM 217 C LEU A 17 6.378 6.946 -1.865 1.00 0.00 C ATOM 218 O LEU A 17 5.317 7.072 -2.473 1.00 0.00 O ATOM 219 CB LEU A 17 7.654 8.696 -3.185 1.00 0.00 C ATOM 220 CG LEU A 17 7.562 9.911 -2.225 1.00 0.00 C ATOM 221 CD1 LEU A 17 8.716 9.963 -1.207 1.00 0.00 C ATOM 222 CD2 LEU A 17 7.455 11.227 -3.016 1.00 0.00 C ATOM 0 H LEU A 17 7.825 6.551 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 17 8.489 7.373 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.550 8.809 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.801 8.730 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 17 6.650 9.781 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.595 10.835 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.705 9.059 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.666 10.032 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.392 12.065 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.336 11.345 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.562 11.205 -3.640 1.00 0.00 H new ATOM 234 N THR A 18 6.453 6.468 -0.607 1.00 0.00 N ATOM 235 CA THR A 18 5.331 5.977 0.157 1.00 0.00 C ATOM 236 C THR A 18 5.390 6.665 1.471 1.00 0.00 C ATOM 237 O THR A 18 6.348 7.373 1.771 1.00 0.00 O ATOM 238 CB THR A 18 5.455 4.436 0.429 1.00 0.00 C ATOM 239 OG1 THR A 18 6.816 4.021 0.532 1.00 0.00 O ATOM 240 CG2 THR A 18 4.752 3.587 -0.628 1.00 0.00 C ATOM 0 H THR A 18 7.333 6.419 -0.094 1.00 0.00 H new ATOM 0 HA THR A 18 4.406 6.161 -0.389 1.00 0.00 H new ATOM 0 HB THR A 18 4.956 4.274 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.241 4.072 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.873 2.531 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.691 3.836 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.190 3.787 -1.606 1.00 0.00 H new ATOM 248 N CYS A 19 4.351 6.423 2.315 1.00 0.00 N ATOM 249 CA CYS A 19 4.256 7.009 3.640 1.00 0.00 C ATOM 250 C CYS A 19 5.130 6.208 4.600 1.00 0.00 C ATOM 251 O CYS A 19 6.043 5.493 4.186 1.00 0.00 O ATOM 252 CB CYS A 19 2.817 7.271 4.195 1.00 0.00 C ATOM 253 SG CYS A 19 1.687 5.848 4.413 1.00 0.00 S ATOM 0 H CYS A 19 3.568 5.815 2.077 1.00 0.00 H new ATOM 0 HA CYS A 19 4.633 8.027 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.920 7.762 5.162 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.329 7.981 3.527 1.00 0.00 H new ATOM 258 N GLY A 20 4.853 6.307 5.921 1.00 0.00 N ATOM 259 CA GLY A 20 5.570 5.594 6.957 1.00 0.00 C ATOM 260 C GLY A 20 5.006 4.207 7.078 1.00 0.00 C ATOM 261 O GLY A 20 5.746 3.231 7.169 1.00 0.00 O ATOM 0 H GLY A 20 4.107 6.901 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.632 5.549 6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.481 6.121 7.907 1.00 0.00 H new ATOM 265 N SER A 21 3.654 4.112 7.020 1.00 0.00 N ATOM 266 CA SER A 21 2.879 2.895 7.180 1.00 0.00 C ATOM 267 C SER A 21 2.941 1.963 5.993 1.00 0.00 C ATOM 268 O SER A 21 2.953 0.753 6.197 1.00 0.00 O ATOM 269 CB SER A 21 1.394 3.183 7.486 1.00 0.00 C ATOM 270 OG SER A 21 1.273 4.029 8.623 1.00 0.00 O ATOM 0 H SER A 21 3.065 4.928 6.852 1.00 0.00 H new ATOM 0 HA SER A 21 3.350 2.399 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.924 3.655 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.865 2.247 7.665 1.00 0.00 H new ATOM 0 HG SER A 21 0.325 4.203 8.802 1.00 0.00 H new ATOM 276 N CYS A 22 2.997 2.494 4.728 1.00 0.00 N ATOM 277 CA CYS A 22 2.955 1.728 3.479 1.00 0.00 C ATOM 278 C CYS A 22 4.192 0.906 3.263 1.00 0.00 C ATOM 279 O CYS A 22 4.164 -0.099 2.558 1.00 0.00 O ATOM 280 CB CYS A 22 2.570 2.510 2.208 1.00 0.00 C ATOM 281 SG CYS A 22 0.786 2.893 2.227 1.00 0.00 S ATOM 0 H CYS A 22 3.075 3.498 4.568 1.00 0.00 H new ATOM 0 HA CYS A 22 2.113 1.055 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.148 3.432 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.815 1.924 1.322 1.00 0.00 H new ATOM 286 N LYS A 23 5.282 1.298 3.961 1.00 0.00 N ATOM 287 CA LYS A 23 6.558 0.636 4.047 1.00 0.00 C ATOM 288 C LYS A 23 6.362 -0.708 4.732 1.00 0.00 C ATOM 289 O LYS A 23 6.497 -1.773 4.136 1.00 0.00 O ATOM 290 CB LYS A 23 7.580 1.508 4.825 1.00 0.00 C ATOM 291 CG LYS A 23 9.015 0.952 4.961 1.00 0.00 C ATOM 292 CD LYS A 23 9.631 1.218 6.349 1.00 0.00 C ATOM 293 CE LYS A 23 11.024 0.593 6.530 1.00 0.00 C ATOM 294 NZ LYS A 23 11.577 0.909 7.846 1.00 0.00 N ATOM 0 H LYS A 23 5.267 2.155 4.514 1.00 0.00 H new ATOM 0 HA LYS A 23 6.959 0.481 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.638 2.480 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.186 1.679 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.003 -0.122 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.648 1.402 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.701 2.294 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.963 0.826 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.959 -0.488 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.694 0.960 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.517 0.475 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.660 1.941 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.948 0.537 8.586 1.00 0.00 H new ATOM 308 N VAL A 24 5.971 -0.637 6.022 1.00 0.00 N ATOM 309 CA VAL A 24 5.760 -1.722 6.968 1.00 0.00 C ATOM 310 C VAL A 24 4.691 -2.689 6.536 1.00 0.00 C ATOM 311 O VAL A 24 4.818 -3.900 6.714 1.00 0.00 O ATOM 312 CB VAL A 24 5.405 -1.155 8.379 1.00 0.00 C ATOM 313 CG1 VAL A 24 5.326 -2.220 9.491 1.00 0.00 C ATOM 314 CG2 VAL A 24 6.333 0.002 8.804 1.00 0.00 C ATOM 0 H VAL A 24 5.782 0.268 6.454 1.00 0.00 H new ATOM 0 HA VAL A 24 6.699 -2.274 7.008 1.00 0.00 H new ATOM 0 HB VAL A 24 4.396 -0.761 8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.075 -1.740 10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.558 -2.952 9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.289 -2.722 9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.041 0.358 9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.364 -0.351 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.250 0.817 8.085 1.00 0.00 H new ATOM 324 N PHE A 25 3.631 -2.121 5.925 1.00 0.00 N ATOM 325 CA PHE A 25 2.465 -2.738 5.334 1.00 0.00 C ATOM 326 C PHE A 25 2.874 -3.722 4.284 1.00 0.00 C ATOM 327 O PHE A 25 2.511 -4.891 4.334 1.00 0.00 O ATOM 328 CB PHE A 25 1.626 -1.627 4.651 1.00 0.00 C ATOM 329 CG PHE A 25 0.443 -2.085 3.828 1.00 0.00 C ATOM 330 CD1 PHE A 25 -0.553 -2.948 4.321 1.00 0.00 C ATOM 331 CD2 PHE A 25 0.413 -1.709 2.474 1.00 0.00 C ATOM 332 CE1 PHE A 25 -1.551 -3.434 3.465 1.00 0.00 C ATOM 333 CE2 PHE A 25 -0.568 -2.205 1.620 1.00 0.00 C ATOM 334 CZ PHE A 25 -1.549 -3.073 2.111 1.00 0.00 C ATOM 0 H PHE A 25 3.584 -1.106 5.833 1.00 0.00 H new ATOM 0 HA PHE A 25 1.896 -3.251 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.262 -0.950 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.287 -1.048 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.549 -3.237 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.159 -1.028 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.321 -4.086 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.572 -1.920 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.305 -3.465 1.447 1.00 0.00 H new ATOM 344 N PHE A 26 3.670 -3.195 3.330 1.00 0.00 N ATOM 345 CA PHE A 26 4.171 -3.838 2.147 1.00 0.00 C ATOM 346 C PHE A 26 5.106 -4.973 2.472 1.00 0.00 C ATOM 347 O PHE A 26 5.007 -6.038 1.880 1.00 0.00 O ATOM 348 CB PHE A 26 4.792 -2.797 1.189 1.00 0.00 C ATOM 349 CG PHE A 26 5.288 -3.376 -0.110 1.00 0.00 C ATOM 350 CD1 PHE A 26 4.405 -3.902 -1.069 1.00 0.00 C ATOM 351 CD2 PHE A 26 6.662 -3.387 -0.375 1.00 0.00 C ATOM 352 CE1 PHE A 26 4.891 -4.400 -2.285 1.00 0.00 C ATOM 353 CE2 PHE A 26 7.144 -3.866 -1.590 1.00 0.00 C ATOM 354 CZ PHE A 26 6.268 -4.386 -2.544 1.00 0.00 C ATOM 0 H PHE A 26 3.992 -2.229 3.394 1.00 0.00 H new ATOM 0 HA PHE A 26 3.331 -4.296 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.049 -2.030 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.622 -2.303 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.344 -3.922 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.354 -3.021 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.206 -4.794 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.204 -3.835 -1.796 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.649 -4.775 -3.476 1.00 0.00 H new ATOM 364 N LYS A 27 5.999 -4.788 3.467 1.00 0.00 N ATOM 365 CA LYS A 27 6.992 -5.783 3.876 1.00 0.00 C ATOM 366 C LYS A 27 6.320 -6.986 4.546 1.00 0.00 C ATOM 367 O LYS A 27 6.823 -8.107 4.460 1.00 0.00 O ATOM 368 CB LYS A 27 8.224 -5.203 4.626 1.00 0.00 C ATOM 369 CG LYS A 27 9.279 -6.247 5.072 1.00 0.00 C ATOM 370 CD LYS A 27 10.543 -5.655 5.723 1.00 0.00 C ATOM 371 CE LYS A 27 10.283 -4.934 7.056 1.00 0.00 C ATOM 372 NZ LYS A 27 11.522 -4.373 7.608 1.00 0.00 N ATOM 0 H LYS A 27 6.045 -3.927 4.012 1.00 0.00 H new ATOM 0 HA LYS A 27 7.454 -6.164 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.711 -4.472 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.873 -4.666 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.813 -6.934 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.577 -6.835 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.262 -6.457 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.003 -4.954 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.556 -4.136 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.847 -5.632 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.315 -3.893 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.206 -5.139 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.924 -3.690 6.935 1.00 0.00 H new ATOM 386 N ARG A 28 5.127 -6.768 5.173 1.00 0.00 N ATOM 387 CA ARG A 28 4.282 -7.790 5.777 1.00 0.00 C ATOM 388 C ARG A 28 3.482 -8.495 4.700 1.00 0.00 C ATOM 389 O ARG A 28 3.362 -9.718 4.678 1.00 0.00 O ATOM 390 CB ARG A 28 3.278 -7.192 6.805 1.00 0.00 C ATOM 391 CG ARG A 28 3.535 -7.617 8.264 1.00 0.00 C ATOM 392 CD ARG A 28 4.682 -6.855 8.960 1.00 0.00 C ATOM 393 NE ARG A 28 4.746 -7.317 10.397 1.00 0.00 N ATOM 394 CZ ARG A 28 5.751 -6.976 11.266 1.00 0.00 C ATOM 395 NH1 ARG A 28 6.960 -6.508 10.836 1.00 0.00 N ATOM 396 NH2 ARG A 28 5.522 -7.125 12.606 1.00 0.00 N ATOM 0 H ARG A 28 4.731 -5.832 5.264 1.00 0.00 H new ATOM 0 HA ARG A 28 4.944 -8.483 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.318 -6.104 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.268 -7.491 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.619 -7.473 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.759 -8.683 8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.629 -7.048 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.509 -5.780 8.913 1.00 0.00 H new ATOM 0 HE ARG A 28 3.997 -7.918 10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.140 -6.402 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.683 -6.265 11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.624 -7.481 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.249 -6.880 13.278 1.00 0.00 H new ATOM 410 N ALA A 29 2.946 -7.677 3.770 1.00 0.00 N ATOM 411 CA ALA A 29 2.049 -7.997 2.677 1.00 0.00 C ATOM 412 C ALA A 29 2.679 -8.781 1.557 1.00 0.00 C ATOM 413 O ALA A 29 1.978 -9.321 0.703 1.00 0.00 O ATOM 414 CB ALA A 29 1.466 -6.718 2.064 1.00 0.00 C ATOM 0 H ALA A 29 3.162 -6.680 3.781 1.00 0.00 H new ATOM 0 HA ALA A 29 1.281 -8.621 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.795 -6.980 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.912 -6.169 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.276 -6.095 1.685 1.00 0.00 H new ATOM 420 N VAL A 30 4.027 -8.837 1.544 1.00 0.00 N ATOM 421 CA VAL A 30 4.822 -9.512 0.546 1.00 0.00 C ATOM 422 C VAL A 30 5.325 -10.789 1.162 1.00 0.00 C ATOM 423 O VAL A 30 4.927 -11.884 0.767 1.00 0.00 O ATOM 424 CB VAL A 30 6.000 -8.633 0.014 1.00 0.00 C ATOM 425 CG1 VAL A 30 6.935 -9.394 -0.946 1.00 0.00 C ATOM 426 CG2 VAL A 30 5.523 -7.330 -0.661 1.00 0.00 C ATOM 0 H VAL A 30 4.595 -8.390 2.264 1.00 0.00 H new ATOM 0 HA VAL A 30 4.205 -9.720 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 30 6.566 -8.370 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.732 -8.730 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.369 -10.250 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.366 -9.741 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.387 -6.763 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.882 -7.573 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.963 -6.732 0.058 1.00 0.00 H new ATOM 436 N GLU A 31 6.245 -10.637 2.140 1.00 0.00 N ATOM 437 CA GLU A 31 6.957 -11.704 2.812 1.00 0.00 C ATOM 438 C GLU A 31 6.288 -11.999 4.123 1.00 0.00 C ATOM 439 O GLU A 31 6.885 -11.917 5.197 1.00 0.00 O ATOM 440 CB GLU A 31 8.459 -11.389 3.019 1.00 0.00 C ATOM 441 CG GLU A 31 9.245 -11.312 1.690 1.00 0.00 C ATOM 442 CD GLU A 31 10.746 -11.116 1.937 1.00 0.00 C ATOM 443 OE1 GLU A 31 11.367 -12.007 2.578 1.00 0.00 O ATOM 444 OE2 GLU A 31 11.291 -10.077 1.480 1.00 0.00 O ATOM 0 H GLU A 31 6.512 -9.715 2.486 1.00 0.00 H new ATOM 0 HA GLU A 31 6.918 -12.584 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.557 -10.441 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.902 -12.156 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.085 -12.226 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.863 -10.488 1.087 1.00 0.00 H new ATOM 451 N GLY A 32 5.005 -12.395 4.025 1.00 0.00 N ATOM 452 CA GLY A 32 4.227 -12.794 5.176 1.00 0.00 C ATOM 453 C GLY A 32 2.966 -13.446 4.711 1.00 0.00 C ATOM 454 O GLY A 32 2.904 -13.979 3.604 1.00 0.00 O ATOM 0 H GLY A 32 4.495 -12.442 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.800 -13.483 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.996 -11.926 5.793 1.00 0.00 H new ATOM 458 N GLN A 33 1.926 -13.417 5.584 1.00 0.00 N ATOM 459 CA GLN A 33 0.607 -13.965 5.342 1.00 0.00 C ATOM 460 C GLN A 33 -0.311 -12.780 5.453 1.00 0.00 C ATOM 461 O GLN A 33 -0.091 -11.896 6.281 1.00 0.00 O ATOM 462 CB GLN A 33 0.225 -15.128 6.292 1.00 0.00 C ATOM 463 CG GLN A 33 0.263 -14.837 7.815 1.00 0.00 C ATOM 464 CD GLN A 33 -1.136 -14.953 8.442 1.00 0.00 C ATOM 465 OE1 GLN A 33 -1.575 -16.060 8.775 1.00 0.00 O ATOM 466 NE2 GLN A 33 -1.840 -13.791 8.590 1.00 0.00 N ATOM 0 H GLN A 33 2.008 -12.990 6.506 1.00 0.00 H new ATOM 0 HA GLN A 33 0.546 -14.442 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.782 -15.458 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.895 -15.964 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.942 -15.536 8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.658 -13.836 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.428 -12.905 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.777 -13.810 8.993 1.00 0.00 H new ATOM 475 N HIS A 34 -1.347 -12.728 4.579 1.00 0.00 N ATOM 476 CA HIS A 34 -2.226 -11.583 4.442 1.00 0.00 C ATOM 477 C HIS A 34 -3.642 -12.077 4.363 1.00 0.00 C ATOM 478 O HIS A 34 -3.886 -13.210 3.951 1.00 0.00 O ATOM 479 CB HIS A 34 -1.891 -10.734 3.185 1.00 0.00 C ATOM 480 CG HIS A 34 -0.705 -11.264 2.427 1.00 0.00 C ATOM 481 ND1 HIS A 34 -0.837 -12.028 1.279 1.00 0.00 N ATOM 482 CD2 HIS A 34 0.591 -11.223 2.829 1.00 0.00 C ATOM 483 CE1 HIS A 34 0.392 -12.428 1.009 1.00 0.00 C ATOM 484 NE2 HIS A 34 1.292 -11.975 1.917 1.00 0.00 N ATOM 0 H HIS A 34 -1.582 -13.497 3.952 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.089 -10.937 5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.758 -10.711 2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.694 -9.706 3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.989 -10.706 3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.651 -13.046 0.162 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.296 -12.157 1.922 1.00 0.00 H new ATOM 492 N ASN A 35 -4.606 -11.203 4.753 1.00 0.00 N ATOM 493 CA ASN A 35 -6.029 -11.475 4.708 1.00 0.00 C ATOM 494 C ASN A 35 -6.684 -10.151 4.401 1.00 0.00 C ATOM 495 O ASN A 35 -7.365 -9.564 5.244 1.00 0.00 O ATOM 496 CB ASN A 35 -6.640 -12.045 6.025 1.00 0.00 C ATOM 497 CG ASN A 35 -6.273 -13.525 6.241 1.00 0.00 C ATOM 498 OD1 ASN A 35 -6.679 -14.385 5.450 1.00 0.00 O ATOM 499 ND2 ASN A 35 -5.504 -13.811 7.336 1.00 0.00 N ATOM 0 H ASN A 35 -4.389 -10.274 5.113 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.202 -12.251 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.287 -11.457 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.725 -11.942 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.237 -14.775 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.198 -13.060 7.954 1.00 0.00 H new ATOM 506 N TYR A 36 -6.496 -9.658 3.150 1.00 0.00 N ATOM 507 CA TYR A 36 -7.101 -8.453 2.628 1.00 0.00 C ATOM 508 C TYR A 36 -7.900 -8.932 1.445 1.00 0.00 C ATOM 509 O TYR A 36 -7.431 -9.787 0.693 1.00 0.00 O ATOM 510 CB TYR A 36 -6.121 -7.313 2.244 1.00 0.00 C ATOM 511 CG TYR A 36 -4.807 -7.304 2.997 1.00 0.00 C ATOM 512 CD1 TYR A 36 -4.780 -7.156 4.397 1.00 0.00 C ATOM 513 CD2 TYR A 36 -3.587 -7.297 2.294 1.00 0.00 C ATOM 514 CE1 TYR A 36 -3.566 -7.004 5.077 1.00 0.00 C ATOM 515 CE2 TYR A 36 -2.373 -7.132 2.969 1.00 0.00 C ATOM 516 CZ TYR A 36 -2.361 -6.989 4.361 1.00 0.00 C ATOM 517 OH TYR A 36 -1.135 -6.804 5.037 1.00 0.00 O ATOM 0 H TYR A 36 -5.893 -10.122 2.470 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.699 -7.973 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.908 -7.384 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.620 -6.358 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.706 -7.160 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.589 -7.420 1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.558 -6.898 6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.445 -7.115 2.416 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.394 -7.037 4.440 1.00 0.00 H new ATOM 527 N LEU A 37 -9.135 -8.393 1.266 1.00 0.00 N ATOM 528 CA LEU A 37 -10.059 -8.847 0.248 1.00 0.00 C ATOM 529 C LEU A 37 -10.476 -7.747 -0.693 1.00 0.00 C ATOM 530 O LEU A 37 -11.161 -6.798 -0.314 1.00 0.00 O ATOM 531 CB LEU A 37 -11.339 -9.457 0.871 1.00 0.00 C ATOM 532 CG LEU A 37 -11.102 -10.729 1.723 1.00 0.00 C ATOM 533 CD1 LEU A 37 -12.386 -11.140 2.471 1.00 0.00 C ATOM 534 CD2 LEU A 37 -10.548 -11.904 0.895 1.00 0.00 C ATOM 0 H LEU A 37 -9.498 -7.630 1.837 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.515 -9.607 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.818 -8.702 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.037 -9.698 0.070 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.338 -10.475 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.192 -12.036 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.697 -10.330 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.177 -11.345 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.401 -12.768 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.255 -12.158 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.595 -11.618 0.450 1.00 0.00 H new ATOM 546 N CYS A 38 -10.070 -7.939 -1.972 1.00 0.00 N ATOM 547 CA CYS A 38 -10.408 -7.215 -3.184 1.00 0.00 C ATOM 548 C CYS A 38 -9.704 -8.039 -4.224 1.00 0.00 C ATOM 549 O CYS A 38 -8.945 -7.569 -5.072 1.00 0.00 O ATOM 550 CB CYS A 38 -10.062 -5.710 -3.295 1.00 0.00 C ATOM 551 SG CYS A 38 -11.483 -4.670 -2.803 1.00 0.00 S ATOM 0 H CYS A 38 -9.423 -8.698 -2.184 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.491 -7.127 -3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.205 -5.483 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.773 -5.475 -4.319 1.00 0.00 H new ATOM 556 N ALA A 39 -10.029 -9.343 -4.144 1.00 0.00 N ATOM 557 CA ALA A 39 -9.587 -10.438 -4.965 1.00 0.00 C ATOM 558 C ALA A 39 -10.584 -10.695 -6.064 1.00 0.00 C ATOM 559 O ALA A 39 -10.288 -11.408 -7.023 1.00 0.00 O ATOM 560 CB ALA A 39 -9.454 -11.730 -4.141 1.00 0.00 C ATOM 0 H ALA A 39 -10.674 -9.666 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.617 -10.164 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.118 -12.541 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.728 -11.579 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.421 -11.987 -3.709 1.00 0.00 H new ATOM 566 N GLY A 40 -11.794 -10.109 -5.930 1.00 0.00 N ATOM 567 CA GLY A 40 -12.865 -10.278 -6.882 1.00 0.00 C ATOM 568 C GLY A 40 -13.787 -9.097 -6.880 1.00 0.00 C ATOM 569 O GLY A 40 -14.918 -9.209 -7.353 1.00 0.00 O ATOM 0 H GLY A 40 -12.036 -9.505 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.449 -10.415 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.427 -11.181 -6.644 1.00 0.00 H new ATOM 573 N ARG A 41 -13.326 -7.921 -6.376 1.00 0.00 N ATOM 574 CA ARG A 41 -14.073 -6.690 -6.395 1.00 0.00 C ATOM 575 C ARG A 41 -13.151 -5.786 -7.148 1.00 0.00 C ATOM 576 O ARG A 41 -13.205 -5.713 -8.376 1.00 0.00 O ATOM 577 CB ARG A 41 -14.445 -6.114 -5.006 1.00 0.00 C ATOM 578 CG ARG A 41 -15.647 -6.795 -4.320 1.00 0.00 C ATOM 579 CD ARG A 41 -16.961 -6.639 -5.106 1.00 0.00 C ATOM 580 NE ARG A 41 -18.127 -6.975 -4.212 1.00 0.00 N ATOM 581 CZ ARG A 41 -19.403 -7.078 -4.704 1.00 0.00 C ATOM 582 NH1 ARG A 41 -19.654 -7.379 -6.012 1.00 0.00 N ATOM 583 NH2 ARG A 41 -20.456 -6.872 -3.857 1.00 0.00 N ATOM 0 H ARG A 41 -12.407 -7.829 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.058 -6.824 -6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.578 -6.196 -4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.662 -5.052 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.431 -7.856 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.775 -6.373 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.056 -5.618 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.956 -7.295 -5.976 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.963 -7.129 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.879 -7.535 -6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.616 -7.448 -6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.286 -6.646 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.412 -6.944 -4.205 1.00 0.00 H new ATOM 597 N ASN A 42 -12.277 -5.078 -6.389 1.00 0.00 N ATOM 598 CA ASN A 42 -11.270 -4.121 -6.811 1.00 0.00 C ATOM 599 C ASN A 42 -12.035 -2.908 -7.305 1.00 0.00 C ATOM 600 O ASN A 42 -11.981 -2.537 -8.478 1.00 0.00 O ATOM 601 CB ASN A 42 -10.205 -4.704 -7.794 1.00 0.00 C ATOM 602 CG ASN A 42 -9.067 -3.721 -8.146 1.00 0.00 C ATOM 603 OD1 ASN A 42 -8.524 -3.048 -7.261 1.00 0.00 O ATOM 604 ND2 ASN A 42 -8.717 -3.651 -9.465 1.00 0.00 N ATOM 0 H ASN A 42 -12.274 -5.186 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.625 -3.831 -5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.772 -5.602 -7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.704 -5.010 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.973 -3.020 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.200 -4.230 -10.152 1.00 0.00 H new ATOM 611 N ASP A 43 -12.809 -2.313 -6.370 1.00 0.00 N ATOM 612 CA ASP A 43 -13.655 -1.167 -6.612 1.00 0.00 C ATOM 613 C ASP A 43 -13.145 0.057 -5.924 1.00 0.00 C ATOM 614 O ASP A 43 -12.973 1.092 -6.567 1.00 0.00 O ATOM 615 CB ASP A 43 -15.141 -1.343 -6.150 1.00 0.00 C ATOM 616 CG ASP A 43 -15.452 -2.373 -5.045 1.00 0.00 C ATOM 617 OD1 ASP A 43 -14.776 -2.375 -3.987 1.00 0.00 O ATOM 618 OD2 ASP A 43 -16.411 -3.164 -5.256 1.00 0.00 O ATOM 0 H ASP A 43 -12.850 -2.641 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.629 -1.066 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.499 -0.372 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.731 -1.609 -7.027 1.00 0.00 H new ATOM 623 N CYS A 44 -12.923 -0.032 -4.592 1.00 0.00 N ATOM 624 CA CYS A 44 -12.608 1.057 -3.715 1.00 0.00 C ATOM 625 C CYS A 44 -11.341 1.817 -4.058 1.00 0.00 C ATOM 626 O CYS A 44 -10.362 1.247 -4.536 1.00 0.00 O ATOM 627 CB CYS A 44 -12.571 0.632 -2.205 1.00 0.00 C ATOM 628 SG CYS A 44 -12.639 -1.163 -1.822 1.00 0.00 S ATOM 0 H CYS A 44 -12.968 -0.925 -4.100 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.438 1.745 -3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.658 1.034 -1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.408 1.115 -1.700 1.00 0.00 H new ATOM 633 N ILE A 45 -11.367 3.151 -3.801 1.00 0.00 N ATOM 634 CA ILE A 45 -10.256 4.058 -4.007 1.00 0.00 C ATOM 635 C ILE A 45 -9.627 4.153 -2.649 1.00 0.00 C ATOM 636 O ILE A 45 -10.316 4.289 -1.640 1.00 0.00 O ATOM 637 CB ILE A 45 -10.662 5.469 -4.537 1.00 0.00 C ATOM 638 CG1 ILE A 45 -11.491 5.381 -5.845 1.00 0.00 C ATOM 639 CG2 ILE A 45 -9.466 6.442 -4.698 1.00 0.00 C ATOM 640 CD1 ILE A 45 -10.766 4.740 -7.040 1.00 0.00 C ATOM 0 H ILE A 45 -12.196 3.618 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.590 3.684 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.297 5.895 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.398 4.811 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.802 6.387 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.825 7.402 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.981 6.586 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.749 6.024 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.431 4.726 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.874 5.319 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.479 3.719 -6.787 1.00 0.00 H new ATOM 652 N ILE A 46 -8.281 4.066 -2.628 1.00 0.00 N ATOM 653 CA ILE A 46 -7.465 4.073 -1.442 1.00 0.00 C ATOM 654 C ILE A 46 -6.759 5.396 -1.465 1.00 0.00 C ATOM 655 O ILE A 46 -5.997 5.701 -2.382 1.00 0.00 O ATOM 656 CB ILE A 46 -6.567 2.793 -1.421 1.00 0.00 C ATOM 657 CG1 ILE A 46 -7.114 1.717 -0.457 1.00 0.00 C ATOM 658 CG2 ILE A 46 -5.050 2.961 -1.212 1.00 0.00 C ATOM 659 CD1 ILE A 46 -8.593 1.384 -0.638 1.00 0.00 C ATOM 0 H ILE A 46 -7.731 3.986 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.010 4.006 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.645 2.471 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.532 0.804 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.955 2.053 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.571 1.982 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.638 3.576 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.866 3.444 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.885 0.620 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.190 2.281 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.761 1.013 -1.649 1.00 0.00 H new ATOM 671 N ASP A 47 -7.044 6.217 -0.429 1.00 0.00 N ATOM 672 CA ASP A 47 -6.468 7.523 -0.266 1.00 0.00 C ATOM 673 C ASP A 47 -6.384 7.753 1.219 1.00 0.00 C ATOM 674 O ASP A 47 -6.460 6.814 2.008 1.00 0.00 O ATOM 675 CB ASP A 47 -7.129 8.672 -1.082 1.00 0.00 C ATOM 676 CG ASP A 47 -8.607 8.940 -0.755 1.00 0.00 C ATOM 677 OD1 ASP A 47 -9.462 8.085 -1.107 1.00 0.00 O ATOM 678 OD2 ASP A 47 -8.891 10.007 -0.149 1.00 0.00 O ATOM 0 H ASP A 47 -7.694 5.964 0.316 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.475 7.546 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.564 9.588 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.045 8.438 -2.143 1.00 0.00 H new ATOM 683 N LYS A 48 -6.213 9.033 1.629 1.00 0.00 N ATOM 684 CA LYS A 48 -5.987 9.500 2.985 1.00 0.00 C ATOM 685 C LYS A 48 -7.088 9.202 3.990 1.00 0.00 C ATOM 686 O LYS A 48 -6.884 9.324 5.198 1.00 0.00 O ATOM 687 CB LYS A 48 -5.756 11.033 2.973 1.00 0.00 C ATOM 688 CG LYS A 48 -4.870 11.565 4.120 1.00 0.00 C ATOM 689 CD LYS A 48 -4.921 13.091 4.322 1.00 0.00 C ATOM 690 CE LYS A 48 -6.300 13.608 4.771 1.00 0.00 C ATOM 691 NZ LYS A 48 -6.270 15.057 4.962 1.00 0.00 N ATOM 0 H LYS A 48 -6.234 9.805 0.963 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.115 8.938 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.300 11.310 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.724 11.532 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.172 11.080 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.838 11.272 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.176 13.376 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.644 13.582 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.052 13.350 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.592 13.119 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.209 15.387 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.567 15.297 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.012 15.520 4.067 1.00 0.00 H new ATOM 705 N ILE A 49 -8.282 8.816 3.492 1.00 0.00 N ATOM 706 CA ILE A 49 -9.478 8.611 4.274 1.00 0.00 C ATOM 707 C ILE A 49 -9.982 7.206 4.108 1.00 0.00 C ATOM 708 O ILE A 49 -10.246 6.502 5.084 1.00 0.00 O ATOM 709 CB ILE A 49 -10.581 9.635 3.837 1.00 0.00 C ATOM 710 CG1 ILE A 49 -10.162 11.110 4.079 1.00 0.00 C ATOM 711 CG2 ILE A 49 -11.989 9.339 4.399 1.00 0.00 C ATOM 712 CD1 ILE A 49 -9.909 11.489 5.547 1.00 0.00 C ATOM 0 H ILE A 49 -8.424 8.637 2.498 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.240 8.769 5.326 1.00 0.00 H new ATOM 0 HB ILE A 49 -10.665 9.493 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.256 11.311 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.941 11.761 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.688 10.097 4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.317 8.356 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.957 9.354 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.622 12.539 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.818 11.327 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.107 10.870 5.950 1.00 0.00 H new ATOM 724 N ARG A 50 -10.170 6.815 2.832 1.00 0.00 N ATOM 725 CA ARG A 50 -10.809 5.597 2.384 1.00 0.00 C ATOM 726 C ARG A 50 -9.975 4.359 2.520 1.00 0.00 C ATOM 727 O ARG A 50 -10.456 3.261 2.243 1.00 0.00 O ATOM 728 CB ARG A 50 -11.301 5.720 0.928 1.00 0.00 C ATOM 729 CG ARG A 50 -12.507 6.670 0.777 1.00 0.00 C ATOM 730 CD ARG A 50 -13.103 6.668 -0.642 1.00 0.00 C ATOM 731 NE ARG A 50 -14.458 7.335 -0.597 1.00 0.00 N ATOM 732 CZ ARG A 50 -15.344 7.287 -1.645 1.00 0.00 C ATOM 733 NH1 ARG A 50 -15.212 6.385 -2.660 1.00 0.00 N ATOM 734 NH2 ARG A 50 -16.406 8.147 -1.656 1.00 0.00 N ATOM 0 H ARG A 50 -9.854 7.389 2.050 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.655 5.478 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.483 6.078 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.575 4.732 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.280 6.382 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.198 7.683 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.444 7.197 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.196 5.647 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.726 7.842 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.438 5.721 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.887 6.375 -3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.532 8.812 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.073 8.124 -2.427 1.00 0.00 H new ATOM 748 N ARG A 51 -8.729 4.494 3.035 1.00 0.00 N ATOM 749 CA ARG A 51 -7.829 3.365 3.227 1.00 0.00 C ATOM 750 C ARG A 51 -8.212 2.509 4.429 1.00 0.00 C ATOM 751 O ARG A 51 -7.725 1.389 4.581 1.00 0.00 O ATOM 752 CB ARG A 51 -6.314 3.672 3.130 1.00 0.00 C ATOM 753 CG ARG A 51 -5.518 3.948 4.423 1.00 0.00 C ATOM 754 CD ARG A 51 -5.993 5.152 5.250 1.00 0.00 C ATOM 755 NE ARG A 51 -5.168 5.177 6.511 1.00 0.00 N ATOM 756 CZ ARG A 51 -5.456 5.992 7.574 1.00 0.00 C ATOM 757 NH1 ARG A 51 -6.692 6.538 7.760 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.474 6.249 8.491 1.00 0.00 N ATOM 0 H ARG A 51 -8.335 5.390 3.323 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.992 2.751 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.840 2.830 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.196 4.539 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.561 3.059 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.472 4.102 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.867 6.078 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.054 5.063 5.485 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.359 4.559 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.441 6.344 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.868 7.140 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.548 5.837 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.668 6.853 9.290 1.00 0.00 H new ATOM 772 N LYS A 52 -9.119 3.043 5.302 1.00 0.00 N ATOM 773 CA LYS A 52 -9.653 2.403 6.489 1.00 0.00 C ATOM 774 C LYS A 52 -10.785 1.475 6.121 1.00 0.00 C ATOM 775 O LYS A 52 -11.213 0.650 6.927 1.00 0.00 O ATOM 776 CB LYS A 52 -10.237 3.393 7.531 1.00 0.00 C ATOM 777 CG LYS A 52 -9.207 4.316 8.206 1.00 0.00 C ATOM 778 CD LYS A 52 -9.830 5.286 9.235 1.00 0.00 C ATOM 779 CE LYS A 52 -10.461 4.597 10.462 1.00 0.00 C ATOM 780 NZ LYS A 52 -11.051 5.575 11.378 1.00 0.00 N ATOM 0 H LYS A 52 -9.500 3.979 5.167 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.802 1.882 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.988 4.011 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.750 2.821 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.454 3.705 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.691 4.894 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.059 5.976 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.594 5.883 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.228 3.895 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.702 4.017 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.467 5.081 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.314 6.229 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.792 6.111 10.883 1.00 0.00 H new ATOM 794 N ASN A 53 -11.286 1.605 4.868 1.00 0.00 N ATOM 795 CA ASN A 53 -12.378 0.846 4.308 1.00 0.00 C ATOM 796 C ASN A 53 -11.845 -0.441 3.745 1.00 0.00 C ATOM 797 O ASN A 53 -12.568 -1.433 3.680 1.00 0.00 O ATOM 798 CB ASN A 53 -13.129 1.568 3.150 1.00 0.00 C ATOM 799 CG ASN A 53 -13.681 2.940 3.583 1.00 0.00 C ATOM 800 OD1 ASN A 53 -13.894 3.210 4.773 1.00 0.00 O ATOM 801 ND2 ASN A 53 -13.924 3.822 2.567 1.00 0.00 N ATOM 0 H ASN A 53 -10.905 2.281 4.206 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.083 0.697 5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.452 1.700 2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.950 0.940 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.297 4.748 2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.732 3.554 1.602 1.00 0.00 H new ATOM 808 N CYS A 54 -10.555 -0.439 3.311 1.00 0.00 N ATOM 809 CA CYS A 54 -9.965 -1.572 2.645 1.00 0.00 C ATOM 810 C CYS A 54 -8.447 -1.407 2.681 1.00 0.00 C ATOM 811 O CYS A 54 -7.948 -0.411 2.160 1.00 0.00 O ATOM 812 CB CYS A 54 -10.504 -1.609 1.187 1.00 0.00 C ATOM 813 SG CYS A 54 -9.846 -2.852 0.052 1.00 0.00 S ATOM 0 H CYS A 54 -9.922 0.353 3.424 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.222 -2.512 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -11.584 -1.745 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.327 -0.629 0.744 1.00 0.00 H new ATOM 818 N PRO A 55 -7.689 -2.401 3.216 1.00 0.00 N ATOM 819 CA PRO A 55 -6.234 -2.477 3.093 1.00 0.00 C ATOM 820 C PRO A 55 -5.825 -3.494 2.024 1.00 0.00 C ATOM 821 O PRO A 55 -4.713 -4.013 2.100 1.00 0.00 O ATOM 822 CB PRO A 55 -5.818 -2.939 4.483 1.00 0.00 C ATOM 823 CG PRO A 55 -6.928 -3.918 4.884 1.00 0.00 C ATOM 824 CD PRO A 55 -8.190 -3.311 4.252 1.00 0.00 C ATOM 0 HA PRO A 55 -5.769 -1.540 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.842 -3.423 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.749 -2.103 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.733 -4.922 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.020 -3.998 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.829 -4.084 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.786 -2.778 4.993 1.00 0.00 H new ATOM 832 N ALA A 56 -6.670 -3.824 1.007 1.00 0.00 N ATOM 833 CA ALA A 56 -6.427 -4.820 -0.015 1.00 0.00 C ATOM 834 C ALA A 56 -5.997 -4.114 -1.263 1.00 0.00 C ATOM 835 O ALA A 56 -4.972 -4.458 -1.845 1.00 0.00 O ATOM 836 CB ALA A 56 -7.650 -5.684 -0.338 1.00 0.00 C ATOM 0 H ALA A 56 -7.575 -3.367 0.894 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.660 -5.493 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.391 -6.406 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.969 -6.213 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.461 -5.048 -0.692 1.00 0.00 H new ATOM 842 N CYS A 57 -6.773 -3.068 -1.668 1.00 0.00 N ATOM 843 CA CYS A 57 -6.540 -2.167 -2.774 1.00 0.00 C ATOM 844 C CYS A 57 -5.231 -1.446 -2.710 1.00 0.00 C ATOM 845 O CYS A 57 -4.613 -1.226 -3.742 1.00 0.00 O ATOM 846 CB CYS A 57 -7.643 -1.101 -2.914 1.00 0.00 C ATOM 847 SG CYS A 57 -9.234 -1.741 -3.526 1.00 0.00 S ATOM 0 H CYS A 57 -7.636 -2.838 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.537 -2.831 -3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.803 -0.632 -1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.294 -0.321 -3.591 1.00 0.00 H new ATOM 852 N ARG A 58 -4.776 -1.120 -1.480 1.00 0.00 N ATOM 853 CA ARG A 58 -3.517 -0.486 -1.148 1.00 0.00 C ATOM 854 C ARG A 58 -2.329 -1.301 -1.583 1.00 0.00 C ATOM 855 O ARG A 58 -1.290 -0.744 -1.927 1.00 0.00 O ATOM 856 CB ARG A 58 -3.278 -0.248 0.364 1.00 0.00 C ATOM 857 CG ARG A 58 -4.480 0.305 1.141 1.00 0.00 C ATOM 858 CD ARG A 58 -4.209 0.820 2.574 1.00 0.00 C ATOM 859 NE ARG A 58 -3.115 0.055 3.274 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.864 0.260 4.606 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.863 0.556 5.489 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.580 0.166 5.062 1.00 0.00 N ATOM 0 H ARG A 58 -5.331 -1.314 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.603 0.464 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.975 -1.191 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.444 0.444 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.911 1.122 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.236 -0.478 1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.938 1.875 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.126 0.751 3.159 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.557 -0.621 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.827 0.630 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.645 0.703 6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.824 -0.054 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.378 0.316 6.050 1.00 0.00 H new ATOM 876 N TYR A 59 -2.471 -2.658 -1.569 1.00 0.00 N ATOM 877 CA TYR A 59 -1.416 -3.586 -1.941 1.00 0.00 C ATOM 878 C TYR A 59 -1.299 -3.576 -3.452 1.00 0.00 C ATOM 879 O TYR A 59 -0.198 -3.569 -3.997 1.00 0.00 O ATOM 880 CB TYR A 59 -1.688 -5.013 -1.399 1.00 0.00 C ATOM 881 CG TYR A 59 -0.580 -6.022 -1.679 1.00 0.00 C ATOM 882 CD1 TYR A 59 0.772 -5.751 -1.375 1.00 0.00 C ATOM 883 CD2 TYR A 59 -0.899 -7.269 -2.250 1.00 0.00 C ATOM 884 CE1 TYR A 59 1.773 -6.695 -1.647 1.00 0.00 C ATOM 885 CE2 TYR A 59 0.098 -8.215 -2.518 1.00 0.00 C ATOM 886 CZ TYR A 59 1.435 -7.928 -2.218 1.00 0.00 C ATOM 887 OH TYR A 59 2.444 -8.880 -2.490 1.00 0.00 O ATOM 0 H TYR A 59 -3.337 -3.120 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.473 -3.271 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.844 -4.954 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.616 -5.382 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.039 -4.805 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.928 -7.499 -2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.804 -6.471 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.165 -9.166 -2.956 1.00 0.00 H new ATOM 0 HH TYR A 59 2.040 -9.681 -2.884 1.00 0.00 H new ATOM 897 N ARG A 60 -2.465 -3.490 -4.141 1.00 0.00 N ATOM 898 CA ARG A 60 -2.604 -3.445 -5.583 1.00 0.00 C ATOM 899 C ARG A 60 -2.107 -2.136 -6.154 1.00 0.00 C ATOM 900 O ARG A 60 -1.497 -2.099 -7.221 1.00 0.00 O ATOM 901 CB ARG A 60 -4.049 -3.718 -6.065 1.00 0.00 C ATOM 902 CG ARG A 60 -4.692 -4.954 -5.398 1.00 0.00 C ATOM 903 CD ARG A 60 -6.065 -5.370 -5.973 1.00 0.00 C ATOM 904 NE ARG A 60 -5.945 -6.571 -6.884 1.00 0.00 N ATOM 905 CZ ARG A 60 -5.421 -6.518 -8.151 1.00 0.00 C ATOM 906 NH1 ARG A 60 -5.377 -5.360 -8.872 1.00 0.00 N ATOM 907 NH2 ARG A 60 -4.944 -7.670 -8.712 1.00 0.00 N ATOM 0 H ARG A 60 -3.366 -3.449 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.978 -4.254 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.664 -2.842 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.044 -3.859 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.006 -5.796 -5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.807 -4.754 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.748 -5.599 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.497 -4.535 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.272 -7.472 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.741 -4.496 -8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.980 -5.359 -9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.982 -8.545 -8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.550 -7.654 -9.653 1.00 0.00 H new ATOM 921 N LYS A 61 -2.349 -1.038 -5.393 1.00 0.00 N ATOM 922 CA LYS A 61 -2.079 0.343 -5.706 1.00 0.00 C ATOM 923 C LYS A 61 -0.611 0.646 -5.672 1.00 0.00 C ATOM 924 O LYS A 61 -0.068 1.210 -6.619 1.00 0.00 O ATOM 925 CB LYS A 61 -2.897 1.244 -4.756 1.00 0.00 C ATOM 926 CG LYS A 61 -2.811 2.764 -4.966 1.00 0.00 C ATOM 927 CD LYS A 61 -3.830 3.369 -5.950 1.00 0.00 C ATOM 928 CE LYS A 61 -3.725 2.854 -7.393 1.00 0.00 C ATOM 929 NZ LYS A 61 -4.667 3.562 -8.261 1.00 0.00 N ATOM 0 H LYS A 61 -2.775 -1.131 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.392 0.549 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.944 0.953 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.583 1.028 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.936 3.252 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.808 3.006 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.835 3.165 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.707 4.452 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.708 2.992 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.931 1.784 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.582 3.201 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.637 3.409 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.452 4.579 -8.250 1.00 0.00 H new ATOM 943 N CYS A 62 0.058 0.218 -4.575 1.00 0.00 N ATOM 944 CA CYS A 62 1.477 0.367 -4.316 1.00 0.00 C ATOM 945 C CYS A 62 2.314 -0.391 -5.328 1.00 0.00 C ATOM 946 O CYS A 62 3.364 0.084 -5.752 1.00 0.00 O ATOM 947 CB CYS A 62 1.863 0.084 -2.833 1.00 0.00 C ATOM 948 SG CYS A 62 1.939 -1.657 -2.280 1.00 0.00 S ATOM 0 H CYS A 62 -0.421 -0.265 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 62 1.717 1.421 -4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.839 0.535 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.147 0.605 -2.197 1.00 0.00 H new ATOM 0 HG CYS A 62 1.095 -2.368 -2.967 1.00 0.00 H new ATOM 954 N LEU A 63 1.795 -1.565 -5.787 1.00 0.00 N ATOM 955 CA LEU A 63 2.393 -2.441 -6.776 1.00 0.00 C ATOM 956 C LEU A 63 2.361 -1.797 -8.142 1.00 0.00 C ATOM 957 O LEU A 63 3.346 -1.877 -8.877 1.00 0.00 O ATOM 958 CB LEU A 63 1.771 -3.856 -6.814 1.00 0.00 C ATOM 959 CG LEU A 63 2.260 -4.794 -5.680 1.00 0.00 C ATOM 960 CD1 LEU A 63 1.389 -6.061 -5.587 1.00 0.00 C ATOM 961 CD2 LEU A 63 3.751 -5.163 -5.821 1.00 0.00 C ATOM 0 H LEU A 63 0.903 -1.923 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 63 3.429 -2.584 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.686 -3.766 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.000 -4.316 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 63 2.155 -4.236 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.758 -6.698 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.356 -5.778 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.436 -6.605 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.042 -5.821 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.911 -5.673 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.355 -4.256 -5.790 1.00 0.00 H new ATOM 973 N GLN A 64 1.243 -1.082 -8.480 1.00 0.00 N ATOM 974 CA GLN A 64 1.056 -0.349 -9.727 1.00 0.00 C ATOM 975 C GLN A 64 2.009 0.821 -9.808 1.00 0.00 C ATOM 976 O GLN A 64 2.500 1.170 -10.881 1.00 0.00 O ATOM 977 CB GLN A 64 -0.387 0.160 -9.955 1.00 0.00 C ATOM 978 CG GLN A 64 -1.338 -0.922 -10.509 1.00 0.00 C ATOM 979 CD GLN A 64 -2.774 -0.377 -10.532 1.00 0.00 C ATOM 980 OE1 GLN A 64 -3.448 -0.337 -9.493 1.00 0.00 O ATOM 981 NE2 GLN A 64 -3.234 0.061 -11.745 1.00 0.00 N ATOM 0 H GLN A 64 0.437 -1.012 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 64 1.265 -1.073 -10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.785 0.535 -9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.363 1.001 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.031 -1.211 -11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.287 -1.818 -9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.635 0.004 -12.568 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.176 0.444 -11.825 1.00 0.00 H new ATOM 990 N ALA A 65 2.312 1.400 -8.617 1.00 0.00 N ATOM 991 CA ALA A 65 3.186 2.535 -8.388 1.00 0.00 C ATOM 992 C ALA A 65 4.623 2.207 -8.709 1.00 0.00 C ATOM 993 O ALA A 65 5.370 3.054 -9.197 1.00 0.00 O ATOM 994 CB ALA A 65 3.046 3.139 -6.982 1.00 0.00 C ATOM 0 H ALA A 65 1.915 1.048 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 65 2.856 3.308 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.728 3.983 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.021 3.480 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.289 2.383 -6.235 1.00 0.00 H new ATOM 1000 N GLY A 66 5.007 0.937 -8.441 1.00 0.00 N ATOM 1001 CA GLY A 66 6.295 0.371 -8.774 1.00 0.00 C ATOM 1002 C GLY A 66 7.033 -0.120 -7.571 1.00 0.00 C ATOM 1003 O GLY A 66 8.256 -0.257 -7.632 1.00 0.00 O ATOM 0 H GLY A 66 4.393 0.272 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.156 -0.454 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.898 1.123 -9.284 1.00 0.00 H new ATOM 1007 N MET A 67 6.318 -0.432 -6.447 1.00 0.00 N ATOM 1008 CA MET A 67 6.919 -0.864 -5.183 1.00 0.00 C ATOM 1009 C MET A 67 7.550 -2.225 -5.343 1.00 0.00 C ATOM 1010 O MET A 67 7.021 -3.070 -6.066 1.00 0.00 O ATOM 1011 CB MET A 67 5.941 -0.947 -3.986 1.00 0.00 C ATOM 1012 CG MET A 67 5.571 0.405 -3.343 1.00 0.00 C ATOM 1013 SD MET A 67 6.923 1.138 -2.357 1.00 0.00 S ATOM 1014 CE MET A 67 6.772 0.222 -0.796 1.00 0.00 C ATOM 0 H MET A 67 5.300 -0.384 -6.412 1.00 0.00 H new ATOM 0 HA MET A 67 7.650 -0.089 -4.954 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.025 -1.435 -4.319 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.382 -1.586 -3.221 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.284 1.105 -4.128 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.699 0.268 -2.704 1.00 0.00 H new ATOM 0 HE1 MET A 67 7.281 0.769 -0.002 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.718 0.109 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 67 7.226 -0.763 -0.907 1.00 0.00 H new ATOM 1024 N ASN A 68 8.707 -2.456 -4.676 1.00 0.00 N ATOM 1025 CA ASN A 68 9.370 -3.734 -4.774 1.00 0.00 C ATOM 1026 C ASN A 68 10.329 -3.702 -3.641 1.00 0.00 C ATOM 1027 O ASN A 68 11.115 -2.773 -3.497 1.00 0.00 O ATOM 1028 CB ASN A 68 10.119 -4.011 -6.118 1.00 0.00 C ATOM 1029 CG ASN A 68 10.293 -5.495 -6.537 1.00 0.00 C ATOM 1030 OD1 ASN A 68 10.844 -5.740 -7.618 1.00 0.00 O ATOM 1031 ND2 ASN A 68 9.841 -6.474 -5.697 1.00 0.00 N ATOM 0 H ASN A 68 9.176 -1.774 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 68 8.636 -4.539 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.585 -3.495 -6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.109 -3.559 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.952 -7.456 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.393 -6.223 -4.816 1.00 0.00 H new ATOM 1038 N LEU A 69 10.289 -4.768 -2.814 1.00 0.00 N ATOM 1039 CA LEU A 69 11.029 -4.952 -1.581 1.00 0.00 C ATOM 1040 C LEU A 69 12.381 -5.575 -1.883 1.00 0.00 C ATOM 1041 O LEU A 69 13.099 -6.079 -1.021 1.00 0.00 O ATOM 1042 CB LEU A 69 10.089 -5.697 -0.589 1.00 0.00 C ATOM 1043 CG LEU A 69 10.640 -6.449 0.647 1.00 0.00 C ATOM 1044 CD1 LEU A 69 11.198 -5.496 1.713 1.00 0.00 C ATOM 1045 CD2 LEU A 69 9.560 -7.381 1.229 1.00 0.00 C ATOM 0 H LEU A 69 9.693 -5.570 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 69 11.302 -4.024 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.375 -4.962 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.524 -6.423 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 69 11.481 -7.058 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.571 -6.074 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.012 -4.910 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.407 -4.827 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.960 -7.904 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.693 -6.791 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.261 -8.108 0.474 1.00 0.00 H new ATOM 1057 N GLU A 70 12.741 -5.478 -3.175 1.00 0.00 N ATOM 1058 CA GLU A 70 13.954 -5.868 -3.823 1.00 0.00 C ATOM 1059 C GLU A 70 13.932 -5.010 -5.061 1.00 0.00 C ATOM 1060 O GLU A 70 13.878 -5.489 -6.193 1.00 0.00 O ATOM 1061 CB GLU A 70 14.077 -7.360 -4.203 1.00 0.00 C ATOM 1062 CG GLU A 70 14.021 -8.331 -3.004 1.00 0.00 C ATOM 1063 CD GLU A 70 14.334 -9.766 -3.437 1.00 0.00 C ATOM 1064 OE1 GLU A 70 13.577 -10.313 -4.284 1.00 0.00 O ATOM 1065 OE2 GLU A 70 15.332 -10.336 -2.919 1.00 0.00 O ATOM 0 H GLU A 70 12.092 -5.072 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 70 14.805 -5.734 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.275 -7.613 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.017 -7.511 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.734 -8.014 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.031 -8.294 -2.549 1.00 0.00 H new ATOM 1072 N ALA A 71 13.966 -3.679 -4.823 1.00 0.00 N ATOM 1073 CA ALA A 71 13.944 -2.622 -5.813 1.00 0.00 C ATOM 1074 C ALA A 71 15.368 -2.116 -5.877 1.00 0.00 C ATOM 1075 O ALA A 71 16.296 -2.918 -5.984 1.00 0.00 O ATOM 1076 CB ALA A 71 12.940 -1.505 -5.451 1.00 0.00 C ATOM 0 H ALA A 71 14.012 -3.311 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 71 13.604 -2.985 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.959 -0.735 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.937 -1.926 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.215 -1.065 -4.492 1.00 0.00 H new ATOM 1082 N ARG A 72 15.585 -0.778 -5.819 1.00 0.00 N ATOM 1083 CA ARG A 72 16.899 -0.180 -5.861 1.00 0.00 C ATOM 1084 C ARG A 72 16.715 1.236 -5.276 1.00 0.00 C ATOM 1085 O ARG A 72 16.276 1.314 -4.097 1.00 0.00 O ATOM 1086 CB ARG A 72 17.538 -0.209 -7.281 1.00 0.00 C ATOM 1087 CG ARG A 72 19.021 0.213 -7.335 1.00 0.00 C ATOM 1088 CD ARG A 72 19.787 -0.257 -8.593 1.00 0.00 C ATOM 1089 NE ARG A 72 19.142 0.211 -9.880 1.00 0.00 N ATOM 1090 CZ ARG A 72 19.178 1.514 -10.314 1.00 0.00 C ATOM 1091 NH1 ARG A 72 20.001 2.446 -9.748 1.00 0.00 N ATOM 1092 NH2 ARG A 72 18.378 1.888 -11.359 1.00 0.00 N ATOM 1093 OXT ARG A 72 17.004 2.245 -5.974 1.00 0.00 O ATOM 0 H ARG A 72 14.830 -0.096 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 72 17.621 -0.746 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.448 -1.218 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.964 0.448 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.076 1.300 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.527 -0.178 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.811 0.114 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.842 -1.346 -8.594 1.00 0.00 H new ATOM 0 HE ARG A 72 18.655 -0.477 -10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.615 2.183 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.001 3.405 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.767 1.203 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.393 2.852 -11.693 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 0.498 5.170 2.525 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -10.797 -2.589 -2.042 1.00 0.00 ZN CONECT 27 1108 CONECT 72 1108 CONECT 253 1108 CONECT 281 1108 CONECT 551 1109 CONECT 628 1109 CONECT 813 1109 CONECT 847 1109 CONECT 1108 27 72 253 281 CONECT 1109 551 628 813 847 END