USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) HEADER ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 14-DEC-95 1NEH TITLE HIGH POTENTIAL IRON-SULFUR PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HIPIP; COMPND 5 OTHER_DETAILS: OXIDIZED FORM SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; SOURCE 3 ORGANISM_TAXID: 1049 KEYWDS ELECTRON TRANSPORT, IRON-SULFUR, 4FE-4S, ELECTRON TRANSFER KEYWDS 2 (IRON-SULFUR PROTEIN) EXPDTA SOLUTION NMR AUTHOR I.BERTINI,A.DIKIY,D.H.W.KASTRAU,C.LUCHINAT,P.SOMPORNPISUT REVDAT 4 24-MAR-09 1NEH 1 ATOM CONECT REVDAT 3 24-FEB-09 1NEH 1 VERSN REVDAT 2 01-APR-03 1NEH 1 JRNL REVDAT 1 08-MAR-96 1NEH 0 JRNL AUTH I.BERTINI,A.DIKIY,D.H.KASTRAU,C.LUCHINAT, JRNL AUTH 2 P.SOMPORNPISUT JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE JRNL TITL 2 OXIDIZED HIGH POTENTIAL IRON-SULFUR PROTEIN FROM JRNL TITL 3 CHROMATIUM VINOSUM THROUGH NMR. COMPARATIVE JRNL TITL 4 ANALYSIS WITH THE SOLUTION STRUCTURE OF THE JRNL TITL 5 REDUCED SPECIES. JRNL REF BIOCHEMISTRY V. 34 9851 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7632685 JRNL DOI 10.1021/BI00031A005 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.G.NETTESHEIM,S.R.HARDER,B.A.FEINBERG,J.D.OTVOS REMARK 1 TITL SEQUENTIAL RESONANCES ASSIGNMENTS OF OXIDIZED REMARK 1 TITL 2 HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM REMARK 1 TITL 3 VINOSUM REMARK 1 REF BIOCHEMISTRY V. 31 1234 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH I.BERTINI,F.CAPOZZI,S.CIURLI,C.LUCHINAT,L.MESSORI, REMARK 1 AUTH 2 M.PICCIOLI REMARK 1 TITL IDENTIFICATION OF THE IRON IONS OF HIGH POTENTIAL REMARK 1 TITL 2 IRON PROTEIN FROM CHROMATIUM VINOSUM WITHIN THE REMARK 1 TITL 3 PROTEIN FRAME THROUGH TWO-DIMENSIONAL NMR REMARK 1 TITL 4 EXPERIMENTS REMARK 1 REF J.AM.CHEM.SOC. V. 9 3332 1992 REMARK 1 REFN ISSN 0002-7863 REMARK 1 REFERENCE 3 REMARK 1 AUTH C.W.CARTER JUNIOR,J.KRAUT,S.T.FREER,N.-H.XUONG, REMARK 1 AUTH 2 R.A.ALDEN,R.G.BARTSCH REMARK 1 TITL TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED REMARK 1 TITL 2 CHROMATIUM HIGH POTENTIAL IRON PROTEIN REMARK 1 REF J.BIOL.CHEM. V. 249 4212 1974 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NEH 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 LYS A 25 49.09 -99.45 REMARK 500 GLU A 27 29.10 -74.95 REMARK 500 ASP A 52 44.16 -155.04 REMARK 500 THR A 57 -115.40 -97.33 REMARK 500 ASP A 58 -51.74 -132.82 REMARK 500 PHE A 66 77.61 -115.09 REMARK 500 TRP A 80 -96.91 -83.68 REMARK 500 THR A 81 126.70 73.36 REMARK 500 ALA A 84 75.16 -106.60 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 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 86 DBREF 1NEH A 1 85 UNP P00260 HIP_CHRVI 38 122 SEQRES 1 A 85 SER ALA PRO ALA ASN ALA VAL ALA ALA ASP ASP ALA THR SEQRES 2 A 85 ALA ILE ALA LEU LYS TYR ASN GLN ASP ALA THR LYS SER SEQRES 3 A 85 GLU ARG VAL ALA ALA ALA ARG PRO GLY LEU PRO PRO GLU SEQRES 4 A 85 GLU GLN HIS CYS ALA ASN CYS GLN PHE MET GLN ALA ASP SEQRES 5 A 85 ALA ALA GLY ALA THR ASP GLU TRP LYS GLY CYS GLN LEU SEQRES 6 A 85 PHE PRO GLY LYS LEU ILE ASN VAL ASN GLY TRP CYS ALA SEQRES 7 A 85 SER TRP THR LEU LYS ALA GLY HET SF4 A 86 8 HETNAM SF4 IRON/SULFUR CLUSTER FORMUL 2 SF4 FE4 S4 HELIX 1 1 ALA A 12 LEU A 17 1 6 HELIX 2 2 ALA A 23 LYS A 25 5 3 HELIX 3 3 ARG A 28 ALA A 31 1 4 HELIX 4 4 CYS A 43 ASN A 45 5 3 SHEET 1 A 3 MET A 49 GLN A 50 0 SHEET 2 A 3 TRP A 60 CYS A 63 -1 O GLY A 62 N GLN A 50 SHEET 3 A 3 ILE A 71 ASN A 72 -1 N ILE A 71 O LYS A 61 LINK SG CYS A 43 FE1 SF4 A 86 1555 1555 2.01 LINK SG CYS A 46 FE2 SF4 A 86 1555 1555 2.01 LINK SG CYS A 63 FE3 SF4 A 86 1555 1555 2.04 LINK SG CYS A 77 FE4 SF4 A 86 1555 1555 2.03 SITE *** AC1 6 CYS A 43 CYS A 46 PHE A 48 CYS A 63 SITE *** AC1 6 CYS A 77 SER A 79 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 42 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.5) USER MOD Set 1.2: A 74 ASN : amide:sc= 0 K(o=-1.1,f=-2.7) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.581 K(o=1.2,f=-0.99) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.607 K(o=1.2,f=-1.5) USER MOD Single : A 1 SER N :NH3+ 138:sc= 0.728 (180deg=0.115) USER MOD Single : A 1 SER OG : rot 180:sc= 0.18 USER MOD Single : A 5 ASN : amide:sc= 1.43 K(o=1.4,f=-6.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= 1.31 (180deg=1.19) USER MOD Single : A 19 TYR OH : rot -42:sc= 1.08 USER MOD Single : A 20 ASN : amide:sc= 0.86 K(o=0.86,f=-6.8!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 84:sc= 1.44 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 1.08 (180deg=0.137) USER MOD Single : A 26 SER OG : rot -115:sc= 0.527 USER MOD Single : A 41 GLN : amide:sc= 1.45 K(o=1.4,f=-3.8!) USER MOD Single : A 45 ASN : amide:sc= 2.03 K(o=2,f=-11!) USER MOD Single : A 47 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 49 MET CE :methyl -175:sc= 0 (180deg=-0.031) USER MOD Single : A 57 THR OG1 : rot -50:sc= 1.01 USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= 2.18 (180deg=-0.109) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.808) USER MOD Single : A 72 ASN : amide:sc= 1.31 K(o=1.3,f=-3.8!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0293 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0.965 (180deg=0.0378) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.254 -10.618 -10.993 1.00 0.00 N ATOM 2 CA SER A 1 -6.822 -10.442 -11.259 1.00 0.00 C ATOM 3 C SER A 1 -6.438 -9.018 -10.887 1.00 0.00 C ATOM 4 O SER A 1 -7.345 -8.206 -10.714 1.00 0.00 O ATOM 5 CB SER A 1 -6.586 -10.729 -12.743 1.00 0.00 C ATOM 6 OG SER A 1 -7.539 -11.715 -13.114 1.00 0.00 O ATOM 0 H1 SER A 1 -8.689 -11.153 -11.772 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.380 -11.140 -10.102 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.710 -9.686 -10.916 1.00 0.00 H new ATOM 0 HA SER A 1 -6.206 -11.122 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.710 -9.825 -13.339 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.570 -11.086 -12.913 1.00 0.00 H new ATOM 0 HG SER A 1 -7.430 -11.934 -14.063 1.00 0.00 H new ATOM 14 N ALA A 2 -5.144 -8.719 -10.772 1.00 0.00 N ATOM 15 CA ALA A 2 -4.691 -7.351 -10.569 1.00 0.00 C ATOM 16 C ALA A 2 -4.989 -6.523 -11.825 1.00 0.00 C ATOM 17 O ALA A 2 -4.971 -7.084 -12.922 1.00 0.00 O ATOM 18 CB ALA A 2 -3.193 -7.362 -10.267 1.00 0.00 C ATOM 0 H ALA A 2 -4.394 -9.409 -10.817 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.216 -6.900 -9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.845 -6.340 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.008 -7.948 -9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.656 -7.806 -11.105 1.00 0.00 H new ATOM 24 N PRO A 3 -5.286 -5.221 -11.698 1.00 0.00 N ATOM 25 CA PRO A 3 -5.572 -4.378 -12.846 1.00 0.00 C ATOM 26 C PRO A 3 -4.281 -4.002 -13.577 1.00 0.00 C ATOM 27 O PRO A 3 -3.176 -4.158 -13.059 1.00 0.00 O ATOM 28 CB PRO A 3 -6.281 -3.146 -12.280 1.00 0.00 C ATOM 29 CG PRO A 3 -5.659 -3.023 -10.893 1.00 0.00 C ATOM 30 CD PRO A 3 -5.453 -4.475 -10.461 1.00 0.00 C ATOM 0 HA PRO A 3 -6.195 -4.886 -13.583 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.101 -2.259 -12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.361 -3.285 -12.231 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.717 -2.476 -10.923 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.315 -2.489 -10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.577 -4.575 -9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.308 -4.842 -9.892 1.00 0.00 H new ATOM 38 N ALA A 4 -4.431 -3.477 -14.794 1.00 0.00 N ATOM 39 CA ALA A 4 -3.314 -3.161 -15.677 1.00 0.00 C ATOM 40 C ALA A 4 -2.357 -2.160 -15.028 1.00 0.00 C ATOM 41 O ALA A 4 -1.142 -2.274 -15.167 1.00 0.00 O ATOM 42 CB ALA A 4 -3.848 -2.620 -17.005 1.00 0.00 C ATOM 0 H ALA A 4 -5.342 -3.258 -15.196 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.749 -4.074 -15.864 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.013 -2.384 -17.664 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.481 -3.372 -17.476 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.432 -1.718 -16.822 1.00 0.00 H new ATOM 48 N ASN A 5 -2.913 -1.181 -14.311 1.00 0.00 N ATOM 49 CA ASN A 5 -2.164 -0.165 -13.582 1.00 0.00 C ATOM 50 C ASN A 5 -1.940 -0.573 -12.125 1.00 0.00 C ATOM 51 O ASN A 5 -1.755 0.294 -11.273 1.00 0.00 O ATOM 52 CB ASN A 5 -2.885 1.192 -13.652 1.00 0.00 C ATOM 53 CG ASN A 5 -4.308 1.149 -13.093 1.00 0.00 C ATOM 54 OD1 ASN A 5 -4.981 0.124 -13.183 1.00 0.00 O ATOM 55 ND2 ASN A 5 -4.801 2.251 -12.543 1.00 0.00 N ATOM 0 H ASN A 5 -3.923 -1.074 -14.221 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.188 -0.070 -14.057 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.307 1.932 -13.099 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.919 1.525 -14.689 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.756 2.259 -12.185 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.225 3.090 -12.478 1.00 0.00 H new ATOM 62 N ALA A 6 -1.928 -1.871 -11.809 1.00 0.00 N ATOM 63 CA ALA A 6 -1.469 -2.318 -10.505 1.00 0.00 C ATOM 64 C ALA A 6 -0.026 -1.851 -10.286 1.00 0.00 C ATOM 65 O ALA A 6 0.803 -1.947 -11.190 1.00 0.00 O ATOM 66 CB ALA A 6 -1.513 -3.844 -10.449 1.00 0.00 C ATOM 0 H ALA A 6 -2.229 -2.618 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.113 -1.901 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.169 -4.182 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.535 -4.185 -10.612 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.866 -4.255 -11.224 1.00 0.00 H new ATOM 72 N VAL A 7 0.292 -1.373 -9.085 1.00 0.00 N ATOM 73 CA VAL A 7 1.664 -1.119 -8.681 1.00 0.00 C ATOM 74 C VAL A 7 2.383 -2.464 -8.608 1.00 0.00 C ATOM 75 O VAL A 7 2.030 -3.316 -7.790 1.00 0.00 O ATOM 76 CB VAL A 7 1.705 -0.362 -7.344 1.00 0.00 C ATOM 77 CG1 VAL A 7 3.139 -0.239 -6.817 1.00 0.00 C ATOM 78 CG2 VAL A 7 1.138 1.051 -7.530 1.00 0.00 C ATOM 0 H VAL A 7 -0.398 -1.152 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 7 2.170 -0.481 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 7 1.108 -0.926 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.134 0.301 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.557 -1.234 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.747 0.303 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.169 1.584 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.735 1.588 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.106 0.986 -7.876 1.00 0.00 H new ATOM 88 N ALA A 8 3.375 -2.642 -9.481 1.00 0.00 N ATOM 89 CA ALA A 8 4.192 -3.836 -9.541 1.00 0.00 C ATOM 90 C ALA A 8 5.178 -3.854 -8.377 1.00 0.00 C ATOM 91 O ALA A 8 5.721 -2.818 -8.003 1.00 0.00 O ATOM 92 CB ALA A 8 4.953 -3.856 -10.872 1.00 0.00 C ATOM 0 H ALA A 8 3.631 -1.941 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 8 3.555 -4.717 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.571 -4.753 -10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.242 -3.857 -11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.588 -2.973 -10.941 1.00 0.00 H new ATOM 98 N ALA A 9 5.495 -5.045 -7.867 1.00 0.00 N ATOM 99 CA ALA A 9 6.598 -5.232 -6.930 1.00 0.00 C ATOM 100 C ALA A 9 7.925 -4.692 -7.486 1.00 0.00 C ATOM 101 O ALA A 9 8.817 -4.338 -6.719 1.00 0.00 O ATOM 102 CB ALA A 9 6.725 -6.722 -6.607 1.00 0.00 C ATOM 0 H ALA A 9 4.994 -5.904 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 9 6.380 -4.667 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.547 -6.874 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.797 -7.078 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.922 -7.278 -7.524 1.00 0.00 H new ATOM 108 N ASP A 10 8.050 -4.644 -8.817 1.00 0.00 N ATOM 109 CA ASP A 10 9.257 -4.255 -9.532 1.00 0.00 C ATOM 110 C ASP A 10 9.228 -2.763 -9.887 1.00 0.00 C ATOM 111 O ASP A 10 10.170 -2.231 -10.469 1.00 0.00 O ATOM 112 CB ASP A 10 9.351 -5.127 -10.790 1.00 0.00 C ATOM 113 CG ASP A 10 10.657 -4.916 -11.546 1.00 0.00 C ATOM 114 OD1 ASP A 10 11.715 -5.132 -10.917 1.00 0.00 O ATOM 115 OD2 ASP A 10 10.566 -4.587 -12.748 1.00 0.00 O ATOM 0 H ASP A 10 7.282 -4.885 -9.443 1.00 0.00 H new ATOM 0 HA ASP A 10 10.136 -4.408 -8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.262 -6.176 -10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.512 -4.902 -11.449 1.00 0.00 H new ATOM 120 N ASP A 11 8.134 -2.067 -9.557 1.00 0.00 N ATOM 121 CA ASP A 11 8.009 -0.660 -9.878 1.00 0.00 C ATOM 122 C ASP A 11 9.120 0.136 -9.178 1.00 0.00 C ATOM 123 O ASP A 11 9.406 -0.083 -8.003 1.00 0.00 O ATOM 124 CB ASP A 11 6.603 -0.188 -9.503 1.00 0.00 C ATOM 125 CG ASP A 11 6.470 1.317 -9.591 1.00 0.00 C ATOM 126 OD1 ASP A 11 7.079 1.989 -8.731 1.00 0.00 O ATOM 127 OD2 ASP A 11 5.755 1.786 -10.501 1.00 0.00 O ATOM 0 H ASP A 11 7.330 -2.463 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 11 8.136 -0.493 -10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.874 -0.656 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.369 -0.514 -8.490 1.00 0.00 H new ATOM 132 N ALA A 12 9.750 1.068 -9.897 1.00 0.00 N ATOM 133 CA ALA A 12 10.870 1.855 -9.391 1.00 0.00 C ATOM 134 C ALA A 12 10.541 2.536 -8.058 1.00 0.00 C ATOM 135 O ALA A 12 11.358 2.551 -7.136 1.00 0.00 O ATOM 136 CB ALA A 12 11.274 2.895 -10.440 1.00 0.00 C ATOM 0 H ALA A 12 9.492 1.298 -10.857 1.00 0.00 H new ATOM 0 HA ALA A 12 11.703 1.178 -9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.111 3.484 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.570 2.389 -11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.429 3.553 -10.644 1.00 0.00 H new ATOM 142 N THR A 13 9.339 3.100 -7.942 1.00 0.00 N ATOM 143 CA THR A 13 8.899 3.714 -6.706 1.00 0.00 C ATOM 144 C THR A 13 8.592 2.626 -5.687 1.00 0.00 C ATOM 145 O THR A 13 8.996 2.743 -4.534 1.00 0.00 O ATOM 146 CB THR A 13 7.708 4.641 -6.978 1.00 0.00 C ATOM 147 OG1 THR A 13 8.118 5.653 -7.874 1.00 0.00 O ATOM 148 CG2 THR A 13 7.168 5.290 -5.702 1.00 0.00 C ATOM 0 H THR A 13 8.655 3.140 -8.698 1.00 0.00 H new ATOM 0 HA THR A 13 9.687 4.338 -6.284 1.00 0.00 H new ATOM 0 HB THR A 13 6.905 4.038 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.365 6.252 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.326 5.936 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.838 4.514 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.954 5.883 -5.234 1.00 0.00 H new ATOM 156 N ALA A 14 7.936 1.535 -6.085 1.00 0.00 N ATOM 157 CA ALA A 14 7.670 0.448 -5.144 1.00 0.00 C ATOM 158 C ALA A 14 8.969 -0.055 -4.509 1.00 0.00 C ATOM 159 O ALA A 14 9.016 -0.340 -3.314 1.00 0.00 O ATOM 160 CB ALA A 14 6.919 -0.702 -5.818 1.00 0.00 C ATOM 0 H ALA A 14 7.586 1.382 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 14 7.033 0.846 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.737 -1.493 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.967 -0.338 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.517 -1.095 -6.640 1.00 0.00 H new ATOM 166 N ILE A 15 10.031 -0.097 -5.308 1.00 0.00 N ATOM 167 CA ILE A 15 11.369 -0.523 -4.930 1.00 0.00 C ATOM 168 C ILE A 15 11.963 0.472 -3.932 1.00 0.00 C ATOM 169 O ILE A 15 12.658 0.069 -2.996 1.00 0.00 O ATOM 170 CB ILE A 15 12.219 -0.684 -6.207 1.00 0.00 C ATOM 171 CG1 ILE A 15 11.857 -2.017 -6.887 1.00 0.00 C ATOM 172 CG2 ILE A 15 13.729 -0.621 -5.917 1.00 0.00 C ATOM 173 CD1 ILE A 15 12.492 -2.177 -8.273 1.00 0.00 C ATOM 0 H ILE A 15 9.975 0.181 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 15 11.347 -1.490 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 15 11.993 0.150 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.177 -2.842 -6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.773 -2.088 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.284 -0.739 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.974 0.342 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.001 -1.421 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 15 12.199 -3.136 -8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 15 12.152 -1.372 -8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.578 -2.137 -8.183 1.00 0.00 H new ATOM 185 N ALA A 16 11.695 1.766 -4.121 1.00 0.00 N ATOM 186 CA ALA A 16 12.078 2.795 -3.166 1.00 0.00 C ATOM 187 C ALA A 16 11.244 2.700 -1.884 1.00 0.00 C ATOM 188 O ALA A 16 11.767 2.932 -0.797 1.00 0.00 O ATOM 189 CB ALA A 16 11.942 4.180 -3.806 1.00 0.00 C ATOM 0 H ALA A 16 11.206 2.124 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 16 13.121 2.638 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.231 4.944 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.591 4.242 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.908 4.340 -4.110 1.00 0.00 H new ATOM 195 N LEU A 17 9.952 2.371 -1.997 1.00 0.00 N ATOM 196 CA LEU A 17 9.017 2.438 -0.871 1.00 0.00 C ATOM 197 C LEU A 17 8.976 1.117 -0.107 1.00 0.00 C ATOM 198 O LEU A 17 8.432 1.044 0.991 1.00 0.00 O ATOM 199 CB LEU A 17 7.608 2.811 -1.351 1.00 0.00 C ATOM 200 CG LEU A 17 7.468 4.213 -1.954 1.00 0.00 C ATOM 201 CD1 LEU A 17 5.993 4.450 -2.290 1.00 0.00 C ATOM 202 CD2 LEU A 17 7.955 5.322 -1.017 1.00 0.00 C ATOM 0 H LEU A 17 9.528 2.052 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 17 9.374 3.215 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.291 2.081 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.921 2.726 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 17 8.096 4.254 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.873 5.444 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.658 3.701 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.396 4.374 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.829 6.290 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.374 5.300 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.009 5.166 -0.786 1.00 0.00 H new ATOM 214 N LYS A 18 9.529 0.066 -0.704 1.00 0.00 N ATOM 215 CA LYS A 18 9.419 -1.300 -0.242 1.00 0.00 C ATOM 216 C LYS A 18 7.954 -1.722 -0.184 1.00 0.00 C ATOM 217 O LYS A 18 7.496 -2.366 0.759 1.00 0.00 O ATOM 218 CB LYS A 18 10.187 -1.532 1.068 1.00 0.00 C ATOM 219 CG LYS A 18 11.600 -0.939 1.026 1.00 0.00 C ATOM 220 CD LYS A 18 12.422 -1.545 -0.114 1.00 0.00 C ATOM 221 CE LYS A 18 13.839 -0.969 -0.118 1.00 0.00 C ATOM 222 NZ LYS A 18 14.481 -1.178 -1.429 1.00 0.00 N ATOM 0 H LYS A 18 10.086 0.153 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 18 9.905 -1.954 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.633 -1.088 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.250 -2.602 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.540 0.142 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.102 -1.121 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.464 -2.629 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.937 -1.340 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.805 0.096 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.432 -1.444 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.351 -0.611 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.716 -2.185 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.829 -0.886 -2.185 1.00 0.00 H new ATOM 236 N TYR A 19 7.227 -1.355 -1.237 1.00 0.00 N ATOM 237 CA TYR A 19 5.891 -1.837 -1.487 1.00 0.00 C ATOM 238 C TYR A 19 5.944 -3.341 -1.738 1.00 0.00 C ATOM 239 O TYR A 19 6.820 -3.819 -2.457 1.00 0.00 O ATOM 240 CB TYR A 19 5.328 -1.074 -2.686 1.00 0.00 C ATOM 241 CG TYR A 19 4.187 -1.749 -3.426 1.00 0.00 C ATOM 242 CD1 TYR A 19 4.403 -2.807 -4.332 1.00 0.00 C ATOM 243 CD2 TYR A 19 2.884 -1.309 -3.181 1.00 0.00 C ATOM 244 CE1 TYR A 19 3.310 -3.450 -4.940 1.00 0.00 C ATOM 245 CE2 TYR A 19 1.792 -2.022 -3.703 1.00 0.00 C ATOM 246 CZ TYR A 19 2.001 -3.057 -4.613 1.00 0.00 C ATOM 247 OH TYR A 19 0.919 -3.543 -5.276 1.00 0.00 O ATOM 0 H TYR A 19 7.565 -0.704 -1.946 1.00 0.00 H new ATOM 0 HA TYR A 19 5.237 -1.669 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.985 -0.098 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.139 -0.897 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.410 -3.124 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.716 -0.421 -2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.476 -4.242 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.788 -1.768 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 19 1.108 -3.566 -6.237 1.00 0.00 H new ATOM 257 N ASN A 20 4.964 -4.075 -1.214 1.00 0.00 N ATOM 258 CA ASN A 20 4.647 -5.407 -1.696 1.00 0.00 C ATOM 259 C ASN A 20 3.150 -5.645 -1.510 1.00 0.00 C ATOM 260 O ASN A 20 2.604 -5.387 -0.435 1.00 0.00 O ATOM 261 CB ASN A 20 5.488 -6.466 -0.970 1.00 0.00 C ATOM 262 CG ASN A 20 5.336 -7.863 -1.567 1.00 0.00 C ATOM 263 OD1 ASN A 20 4.574 -8.070 -2.510 1.00 0.00 O ATOM 264 ND2 ASN A 20 6.043 -8.852 -1.030 1.00 0.00 N ATOM 0 H ASN A 20 4.372 -3.759 -0.446 1.00 0.00 H new ATOM 0 HA ASN A 20 4.891 -5.489 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.538 -6.175 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.200 -6.493 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.958 -9.799 -1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.671 -8.664 -0.248 1.00 0.00 H new ATOM 271 N GLN A 21 2.503 -6.144 -2.566 1.00 0.00 N ATOM 272 CA GLN A 21 1.180 -6.754 -2.540 1.00 0.00 C ATOM 273 C GLN A 21 1.070 -7.728 -1.369 1.00 0.00 C ATOM 274 O GLN A 21 0.108 -7.700 -0.608 1.00 0.00 O ATOM 275 CB GLN A 21 0.965 -7.538 -3.843 1.00 0.00 C ATOM 276 CG GLN A 21 1.004 -6.642 -5.083 1.00 0.00 C ATOM 277 CD GLN A 21 1.051 -7.456 -6.371 1.00 0.00 C ATOM 278 OE1 GLN A 21 1.938 -7.270 -7.197 1.00 0.00 O ATOM 279 NE2 GLN A 21 0.100 -8.367 -6.558 1.00 0.00 N ATOM 0 H GLN A 21 2.909 -6.131 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 21 0.431 -5.969 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.733 -8.307 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.004 -8.050 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.125 -5.997 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.877 -5.991 -5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.625 -8.499 -5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.096 -8.933 -7.406 1.00 0.00 H new ATOM 288 N ASP A 22 2.067 -8.598 -1.222 1.00 0.00 N ATOM 289 CA ASP A 22 2.141 -9.493 -0.087 1.00 0.00 C ATOM 290 C ASP A 22 2.698 -8.701 1.101 1.00 0.00 C ATOM 291 O ASP A 22 3.860 -8.858 1.467 1.00 0.00 O ATOM 292 CB ASP A 22 2.981 -10.717 -0.479 1.00 0.00 C ATOM 293 CG ASP A 22 2.891 -11.846 0.530 1.00 0.00 C ATOM 294 OD1 ASP A 22 2.818 -11.565 1.745 1.00 0.00 O ATOM 295 OD2 ASP A 22 2.918 -13.014 0.084 1.00 0.00 O ATOM 0 H ASP A 22 2.836 -8.696 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 22 1.166 -9.877 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.651 -11.080 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.023 -10.416 -0.587 1.00 0.00 H new ATOM 300 N ALA A 23 1.880 -7.817 1.693 1.00 0.00 N ATOM 301 CA ALA A 23 2.241 -7.105 2.923 1.00 0.00 C ATOM 302 C ALA A 23 2.860 -8.037 3.971 1.00 0.00 C ATOM 303 O ALA A 23 3.781 -7.653 4.696 1.00 0.00 O ATOM 304 CB ALA A 23 1.014 -6.439 3.548 1.00 0.00 C ATOM 0 H ALA A 23 0.956 -7.578 1.333 1.00 0.00 H new ATOM 0 HA ALA A 23 2.976 -6.354 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.308 -5.917 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.588 -5.726 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.271 -7.199 3.789 1.00 0.00 H new ATOM 310 N THR A 24 2.309 -9.244 4.107 1.00 0.00 N ATOM 311 CA THR A 24 2.819 -10.272 4.994 1.00 0.00 C ATOM 312 C THR A 24 4.302 -10.549 4.727 1.00 0.00 C ATOM 313 O THR A 24 5.093 -10.549 5.667 1.00 0.00 O ATOM 314 CB THR A 24 1.905 -11.507 4.908 1.00 0.00 C ATOM 315 OG1 THR A 24 1.123 -11.468 3.729 1.00 0.00 O ATOM 316 CG2 THR A 24 0.908 -11.507 6.069 1.00 0.00 C ATOM 0 H THR A 24 1.479 -9.533 3.590 1.00 0.00 H new ATOM 0 HA THR A 24 2.791 -9.934 6.030 1.00 0.00 H new ATOM 0 HB THR A 24 2.550 -12.385 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.642 -11.828 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.267 -12.385 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.450 -11.529 7.014 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.296 -10.606 6.023 1.00 0.00 H new ATOM 324 N LYS A 25 4.693 -10.724 3.465 1.00 0.00 N ATOM 325 CA LYS A 25 6.084 -10.861 3.048 1.00 0.00 C ATOM 326 C LYS A 25 6.604 -9.528 2.506 1.00 0.00 C ATOM 327 O LYS A 25 7.213 -9.461 1.437 1.00 0.00 O ATOM 328 CB LYS A 25 6.199 -11.946 1.983 1.00 0.00 C ATOM 329 CG LYS A 25 5.611 -13.282 2.446 1.00 0.00 C ATOM 330 CD LYS A 25 5.727 -14.310 1.314 1.00 0.00 C ATOM 331 CE LYS A 25 4.797 -15.514 1.519 1.00 0.00 C ATOM 332 NZ LYS A 25 3.374 -15.120 1.460 1.00 0.00 N ATOM 0 H LYS A 25 4.034 -10.775 2.688 1.00 0.00 H new ATOM 0 HA LYS A 25 6.689 -11.146 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.685 -11.620 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.248 -12.085 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.140 -13.638 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.566 -13.153 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.491 -13.829 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.758 -14.658 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.999 -16.265 0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.007 -15.976 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.791 -15.954 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.086 -14.723 2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.242 -14.405 0.716 1.00 0.00 H new ATOM 346 N SER A 26 6.373 -8.467 3.270 1.00 0.00 N ATOM 347 CA SER A 26 7.035 -7.189 3.107 1.00 0.00 C ATOM 348 C SER A 26 7.845 -6.876 4.355 1.00 0.00 C ATOM 349 O SER A 26 7.780 -7.603 5.347 1.00 0.00 O ATOM 350 CB SER A 26 6.027 -6.079 2.824 1.00 0.00 C ATOM 351 OG SER A 26 6.737 -5.007 2.230 1.00 0.00 O ATOM 0 H SER A 26 5.702 -8.477 4.038 1.00 0.00 H new ATOM 0 HA SER A 26 7.705 -7.247 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.240 -6.435 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.543 -5.756 3.745 1.00 0.00 H new ATOM 0 HG SER A 26 6.712 -4.229 2.825 1.00 0.00 H new ATOM 357 N GLU A 27 8.525 -5.731 4.355 1.00 0.00 N ATOM 358 CA GLU A 27 9.346 -5.278 5.469 1.00 0.00 C ATOM 359 C GLU A 27 8.486 -4.759 6.635 1.00 0.00 C ATOM 360 O GLU A 27 8.924 -3.904 7.401 1.00 0.00 O ATOM 361 CB GLU A 27 10.330 -4.211 4.965 1.00 0.00 C ATOM 362 CG GLU A 27 11.201 -4.702 3.797 1.00 0.00 C ATOM 363 CD GLU A 27 12.179 -3.637 3.307 1.00 0.00 C ATOM 364 OE1 GLU A 27 12.344 -2.627 4.025 1.00 0.00 O ATOM 365 OE2 GLU A 27 12.739 -3.840 2.207 1.00 0.00 O ATOM 0 H GLU A 27 8.519 -5.084 3.567 1.00 0.00 H new ATOM 0 HA GLU A 27 9.911 -6.123 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.772 -3.330 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.975 -3.902 5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.758 -5.585 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.558 -5.007 2.972 1.00 0.00 H new ATOM 372 N ARG A 28 7.265 -5.279 6.802 1.00 0.00 N ATOM 373 CA ARG A 28 6.330 -4.822 7.807 1.00 0.00 C ATOM 374 C ARG A 28 6.899 -5.069 9.192 1.00 0.00 C ATOM 375 O ARG A 28 7.206 -4.133 9.924 1.00 0.00 O ATOM 376 CB ARG A 28 4.988 -5.536 7.646 1.00 0.00 C ATOM 377 CG ARG A 28 4.011 -4.754 6.793 1.00 0.00 C ATOM 378 CD ARG A 28 2.579 -5.231 7.008 1.00 0.00 C ATOM 379 NE ARG A 28 2.427 -6.687 6.875 1.00 0.00 N ATOM 380 CZ ARG A 28 1.354 -7.357 7.324 1.00 0.00 C ATOM 381 NH1 ARG A 28 0.163 -6.761 7.352 1.00 0.00 N ATOM 382 NH2 ARG A 28 1.476 -8.614 7.758 1.00 0.00 N ATOM 0 H ARG A 28 6.904 -6.041 6.228 1.00 0.00 H new ATOM 0 HA ARG A 28 6.168 -3.752 7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.153 -6.515 7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.551 -5.706 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.083 -3.693 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.278 -4.860 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.247 -4.927 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.926 -4.737 6.288 1.00 0.00 H new ATOM 0 HE ARG A 28 3.173 -7.213 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.067 -5.797 7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.653 -7.269 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.388 -9.070 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.657 -9.118 8.098 1.00 0.00 H new ATOM 396 N VAL A 29 7.020 -6.346 9.557 1.00 0.00 N ATOM 397 CA VAL A 29 7.450 -6.727 10.892 1.00 0.00 C ATOM 398 C VAL A 29 8.877 -6.230 11.130 1.00 0.00 C ATOM 399 O VAL A 29 9.229 -5.814 12.227 1.00 0.00 O ATOM 400 CB VAL A 29 7.295 -8.250 11.069 1.00 0.00 C ATOM 401 CG1 VAL A 29 8.535 -9.070 10.686 1.00 0.00 C ATOM 402 CG2 VAL A 29 6.881 -8.588 12.505 1.00 0.00 C ATOM 0 H VAL A 29 6.824 -7.134 8.939 1.00 0.00 H new ATOM 0 HA VAL A 29 6.823 -6.258 11.650 1.00 0.00 H new ATOM 0 HB VAL A 29 6.512 -8.536 10.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.333 -10.130 10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.775 -8.898 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.378 -8.765 11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.777 -9.668 12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.642 -8.228 13.197 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.929 -8.108 12.732 1.00 0.00 H new ATOM 412 N ALA A 30 9.683 -6.262 10.068 1.00 0.00 N ATOM 413 CA ALA A 30 11.047 -5.754 10.069 1.00 0.00 C ATOM 414 C ALA A 30 11.096 -4.270 10.451 1.00 0.00 C ATOM 415 O ALA A 30 11.944 -3.870 11.243 1.00 0.00 O ATOM 416 CB ALA A 30 11.687 -5.990 8.699 1.00 0.00 C ATOM 0 H ALA A 30 9.397 -6.650 9.169 1.00 0.00 H new ATOM 0 HA ALA A 30 11.616 -6.297 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.708 -5.608 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.700 -7.058 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.110 -5.472 7.933 1.00 0.00 H new ATOM 422 N ALA A 31 10.207 -3.447 9.884 1.00 0.00 N ATOM 423 CA ALA A 31 10.183 -2.016 10.160 1.00 0.00 C ATOM 424 C ALA A 31 9.495 -1.755 11.498 1.00 0.00 C ATOM 425 O ALA A 31 9.830 -0.806 12.202 1.00 0.00 O ATOM 426 CB ALA A 31 9.461 -1.288 9.022 1.00 0.00 C ATOM 0 H ALA A 31 9.491 -3.756 9.226 1.00 0.00 H new ATOM 0 HA ALA A 31 11.203 -1.638 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.443 -0.218 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.986 -1.468 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.439 -1.659 8.943 1.00 0.00 H new ATOM 432 N ALA A 32 8.499 -2.589 11.807 1.00 0.00 N ATOM 433 CA ALA A 32 7.627 -2.523 12.964 1.00 0.00 C ATOM 434 C ALA A 32 7.173 -1.093 13.258 1.00 0.00 C ATOM 435 O ALA A 32 7.291 -0.605 14.381 1.00 0.00 O ATOM 436 CB ALA A 32 8.276 -3.188 14.182 1.00 0.00 C ATOM 0 H ALA A 32 8.271 -3.382 11.207 1.00 0.00 H new ATOM 0 HA ALA A 32 6.725 -3.088 12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.600 -3.124 15.035 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.480 -4.235 13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.210 -2.679 14.420 1.00 0.00 H new ATOM 442 N ARG A 33 6.652 -0.409 12.236 1.00 0.00 N ATOM 443 CA ARG A 33 6.254 0.982 12.391 1.00 0.00 C ATOM 444 C ARG A 33 5.117 1.069 13.417 1.00 0.00 C ATOM 445 O ARG A 33 4.222 0.228 13.381 1.00 0.00 O ATOM 446 CB ARG A 33 5.877 1.592 11.040 1.00 0.00 C ATOM 447 CG ARG A 33 7.022 1.356 10.045 1.00 0.00 C ATOM 448 CD ARG A 33 7.080 2.437 8.965 1.00 0.00 C ATOM 449 NE ARG A 33 7.688 3.670 9.491 1.00 0.00 N ATOM 450 CZ ARG A 33 8.147 4.689 8.746 1.00 0.00 C ATOM 451 NH1 ARG A 33 7.942 4.705 7.426 1.00 0.00 N ATOM 452 NH2 ARG A 33 8.818 5.690 9.327 1.00 0.00 N ATOM 0 H ARG A 33 6.499 -0.795 11.304 1.00 0.00 H new ATOM 0 HA ARG A 33 7.092 1.569 12.767 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.957 1.142 10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.688 2.660 11.149 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.970 1.331 10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.897 0.381 9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.657 2.076 8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.074 2.649 8.602 1.00 0.00 H new ATOM 0 HE ARG A 33 7.767 3.758 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.435 3.941 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.293 5.481 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.980 5.678 10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.167 6.465 8.763 1.00 0.00 H new ATOM 466 N PRO A 34 5.152 2.030 14.350 1.00 0.00 N ATOM 467 CA PRO A 34 4.194 2.102 15.443 1.00 0.00 C ATOM 468 C PRO A 34 2.824 2.575 14.949 1.00 0.00 C ATOM 469 O PRO A 34 2.699 3.098 13.842 1.00 0.00 O ATOM 470 CB PRO A 34 4.812 3.085 16.442 1.00 0.00 C ATOM 471 CG PRO A 34 5.635 4.017 15.551 1.00 0.00 C ATOM 472 CD PRO A 34 6.153 3.076 14.463 1.00 0.00 C ATOM 0 HA PRO A 34 4.013 1.128 15.898 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.048 3.629 16.997 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.436 2.575 17.176 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.027 4.820 15.135 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.450 4.487 16.101 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.281 3.602 13.517 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.125 2.662 14.731 1.00 0.00 H new ATOM 480 N GLY A 35 1.798 2.409 15.792 1.00 0.00 N ATOM 481 CA GLY A 35 0.445 2.898 15.548 1.00 0.00 C ATOM 482 C GLY A 35 -0.570 1.757 15.539 1.00 0.00 C ATOM 483 O GLY A 35 -1.645 1.880 16.120 1.00 0.00 O ATOM 0 H GLY A 35 1.892 1.919 16.682 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.174 3.621 16.317 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.413 3.422 14.593 1.00 0.00 H new ATOM 487 N LEU A 36 -0.233 0.651 14.874 1.00 0.00 N ATOM 488 CA LEU A 36 -1.106 -0.499 14.681 1.00 0.00 C ATOM 489 C LEU A 36 -0.183 -1.704 14.502 1.00 0.00 C ATOM 490 O LEU A 36 0.898 -1.513 13.942 1.00 0.00 O ATOM 491 CB LEU A 36 -1.938 -0.240 13.421 1.00 0.00 C ATOM 492 CG LEU A 36 -3.076 -1.216 13.138 1.00 0.00 C ATOM 493 CD1 LEU A 36 -4.202 -1.123 14.176 1.00 0.00 C ATOM 494 CD2 LEU A 36 -3.644 -0.894 11.751 1.00 0.00 C ATOM 0 H LEU A 36 0.684 0.531 14.443 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.787 -0.675 15.514 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.360 0.763 13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.266 -0.243 12.563 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.677 -2.229 13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.986 -1.838 13.927 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.804 -1.349 15.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.617 -0.115 14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.461 -1.579 11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.016 0.131 11.739 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.860 -1.004 11.002 1.00 0.00 H new ATOM 506 N PRO A 37 -0.530 -2.916 14.965 1.00 0.00 N ATOM 507 CA PRO A 37 0.336 -4.067 14.775 1.00 0.00 C ATOM 508 C PRO A 37 0.642 -4.285 13.284 1.00 0.00 C ATOM 509 O PRO A 37 -0.237 -4.074 12.444 1.00 0.00 O ATOM 510 CB PRO A 37 -0.403 -5.260 15.381 1.00 0.00 C ATOM 511 CG PRO A 37 -1.350 -4.620 16.395 1.00 0.00 C ATOM 512 CD PRO A 37 -1.703 -3.283 15.743 1.00 0.00 C ATOM 0 HA PRO A 37 1.302 -3.924 15.260 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.948 -5.821 14.622 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.285 -5.957 15.860 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.235 -5.233 16.563 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.870 -4.482 17.364 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.584 -3.375 15.108 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.930 -2.526 16.494 1.00 0.00 H new ATOM 520 N PRO A 38 1.871 -4.703 12.937 1.00 0.00 N ATOM 521 CA PRO A 38 2.247 -5.013 11.567 1.00 0.00 C ATOM 522 C PRO A 38 1.216 -5.896 10.870 1.00 0.00 C ATOM 523 O PRO A 38 0.854 -5.620 9.735 1.00 0.00 O ATOM 524 CB PRO A 38 3.609 -5.714 11.660 1.00 0.00 C ATOM 525 CG PRO A 38 4.202 -5.216 12.972 1.00 0.00 C ATOM 526 CD PRO A 38 2.984 -4.924 13.847 1.00 0.00 C ATOM 0 HA PRO A 38 2.299 -4.106 10.965 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.499 -6.798 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.246 -5.458 10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.849 -5.966 13.427 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.808 -4.322 12.821 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.778 -5.758 14.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.155 -4.047 14.472 1.00 0.00 H new ATOM 534 N GLU A 39 0.733 -6.949 11.529 1.00 0.00 N ATOM 535 CA GLU A 39 -0.257 -7.854 10.992 1.00 0.00 C ATOM 536 C GLU A 39 -1.439 -7.095 10.365 1.00 0.00 C ATOM 537 O GLU A 39 -1.732 -7.279 9.178 1.00 0.00 O ATOM 538 CB GLU A 39 -0.641 -8.821 12.113 1.00 0.00 C ATOM 539 CG GLU A 39 0.602 -9.512 12.704 1.00 0.00 C ATOM 540 CD GLU A 39 0.248 -10.838 13.362 1.00 0.00 C ATOM 541 OE1 GLU A 39 -0.111 -11.759 12.598 1.00 0.00 O ATOM 542 OE2 GLU A 39 0.365 -10.907 14.604 1.00 0.00 O ATOM 0 H GLU A 39 1.033 -7.194 12.473 1.00 0.00 H new ATOM 0 HA GLU A 39 0.142 -8.435 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.167 -8.280 12.899 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.330 -9.573 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.334 -9.681 11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.070 -8.855 13.437 1.00 0.00 H new ATOM 549 N GLU A 40 -2.053 -6.191 11.127 1.00 0.00 N ATOM 550 CA GLU A 40 -3.130 -5.316 10.689 1.00 0.00 C ATOM 551 C GLU A 40 -2.678 -4.276 9.659 1.00 0.00 C ATOM 552 O GLU A 40 -3.480 -3.894 8.807 1.00 0.00 O ATOM 553 CB GLU A 40 -3.739 -4.618 11.911 1.00 0.00 C ATOM 554 CG GLU A 40 -4.737 -5.500 12.661 1.00 0.00 C ATOM 555 CD GLU A 40 -4.110 -6.784 13.181 1.00 0.00 C ATOM 556 OE1 GLU A 40 -2.942 -6.693 13.619 1.00 0.00 O ATOM 557 OE2 GLU A 40 -4.791 -7.825 13.091 1.00 0.00 O ATOM 0 H GLU A 40 -1.801 -6.045 12.105 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.875 -5.938 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.940 -4.323 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.239 -3.704 11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.154 -4.939 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.566 -5.748 11.998 1.00 0.00 H new ATOM 564 N GLN A 41 -1.446 -3.766 9.732 1.00 0.00 N ATOM 565 CA GLN A 41 -0.983 -2.740 8.798 1.00 0.00 C ATOM 566 C GLN A 41 -1.083 -3.197 7.339 1.00 0.00 C ATOM 567 O GLN A 41 -0.504 -4.214 6.960 1.00 0.00 O ATOM 568 CB GLN A 41 0.475 -2.382 9.059 1.00 0.00 C ATOM 569 CG GLN A 41 0.698 -1.568 10.331 1.00 0.00 C ATOM 570 CD GLN A 41 2.173 -1.227 10.513 1.00 0.00 C ATOM 571 OE1 GLN A 41 2.899 -0.995 9.543 1.00 0.00 O ATOM 572 NE2 GLN A 41 2.614 -1.188 11.762 1.00 0.00 N ATOM 0 H GLN A 41 -0.754 -4.047 10.427 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.631 -1.878 8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.058 -3.301 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.858 -1.819 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.112 -0.650 10.286 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.343 -2.131 11.194 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.978 -1.387 12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.590 -0.959 11.951 1.00 0.00 H new ATOM 581 N HIS A 42 -1.753 -2.407 6.502 1.00 0.00 N ATOM 582 CA HIS A 42 -1.713 -2.494 5.051 1.00 0.00 C ATOM 583 C HIS A 42 -2.047 -1.112 4.471 1.00 0.00 C ATOM 584 O HIS A 42 -2.471 -0.230 5.218 1.00 0.00 O ATOM 585 CB HIS A 42 -2.700 -3.542 4.513 1.00 0.00 C ATOM 586 CG HIS A 42 -2.999 -4.749 5.364 1.00 0.00 C ATOM 587 ND1 HIS A 42 -3.993 -4.829 6.315 1.00 0.00 N ATOM 588 CD2 HIS A 42 -2.429 -5.985 5.246 1.00 0.00 C ATOM 589 CE1 HIS A 42 -4.015 -6.090 6.786 1.00 0.00 C ATOM 590 NE2 HIS A 42 -3.077 -6.811 6.143 1.00 0.00 N ATOM 0 H HIS A 42 -2.362 -1.659 6.834 1.00 0.00 H new ATOM 0 HA HIS A 42 -0.714 -2.807 4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.644 -3.036 4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.318 -3.897 3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.626 -6.263 4.579 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.677 -6.462 7.554 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.879 -7.800 6.293 1.00 0.00 H new ATOM 599 N CYS A 43 -1.930 -0.940 3.150 1.00 0.00 N ATOM 600 CA CYS A 43 -2.413 0.225 2.420 1.00 0.00 C ATOM 601 C CYS A 43 -3.854 0.539 2.842 1.00 0.00 C ATOM 602 O CYS A 43 -4.203 1.692 3.063 1.00 0.00 O ATOM 603 CB CYS A 43 -2.320 0.000 0.930 1.00 0.00 C ATOM 604 SG CYS A 43 -0.617 -0.130 0.310 1.00 0.00 S ATOM 0 H CYS A 43 -1.483 -1.630 2.547 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.784 1.081 2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.859 -0.912 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.822 0.820 0.417 1.00 0.00 H new ATOM 609 N ALA A 44 -4.677 -0.498 3.021 1.00 0.00 N ATOM 610 CA ALA A 44 -6.042 -0.417 3.532 1.00 0.00 C ATOM 611 C ALA A 44 -6.204 0.563 4.701 1.00 0.00 C ATOM 612 O ALA A 44 -7.254 1.189 4.821 1.00 0.00 O ATOM 613 CB ALA A 44 -6.515 -1.808 3.969 1.00 0.00 C ATOM 0 H ALA A 44 -4.396 -1.454 2.804 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.653 -0.037 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.534 -1.743 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.489 -2.486 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.858 -2.186 4.753 1.00 0.00 H new ATOM 619 N ASN A 45 -5.199 0.667 5.580 1.00 0.00 N ATOM 620 CA ASN A 45 -5.217 1.572 6.728 1.00 0.00 C ATOM 621 C ASN A 45 -3.969 2.458 6.762 1.00 0.00 C ATOM 622 O ASN A 45 -3.539 2.880 7.833 1.00 0.00 O ATOM 623 CB ASN A 45 -5.422 0.771 8.021 1.00 0.00 C ATOM 624 CG ASN A 45 -4.430 -0.378 8.197 1.00 0.00 C ATOM 625 OD1 ASN A 45 -3.263 -0.298 7.823 1.00 0.00 O ATOM 626 ND2 ASN A 45 -4.903 -1.494 8.743 1.00 0.00 N ATOM 0 H ASN A 45 -4.343 0.117 5.510 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.061 2.255 6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.337 1.446 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.435 0.369 8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.293 -2.304 8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.875 -1.540 9.047 1.00 0.00 H new ATOM 633 N CYS A 46 -3.422 2.770 5.586 1.00 0.00 N ATOM 634 CA CYS A 46 -2.325 3.707 5.405 1.00 0.00 C ATOM 635 C CYS A 46 -2.874 5.133 5.363 1.00 0.00 C ATOM 636 O CYS A 46 -3.976 5.371 4.872 1.00 0.00 O ATOM 637 CB CYS A 46 -1.619 3.337 4.128 1.00 0.00 C ATOM 638 SG CYS A 46 -0.335 4.501 3.639 1.00 0.00 S ATOM 0 H CYS A 46 -3.744 2.362 4.709 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.616 3.660 6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.174 2.349 4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.354 3.264 3.326 1.00 0.00 H new ATOM 643 N GLN A 47 -2.111 6.087 5.894 1.00 0.00 N ATOM 644 CA GLN A 47 -2.436 7.501 5.828 1.00 0.00 C ATOM 645 C GLN A 47 -2.353 7.970 4.373 1.00 0.00 C ATOM 646 O GLN A 47 -3.270 8.590 3.837 1.00 0.00 O ATOM 647 CB GLN A 47 -1.457 8.262 6.733 1.00 0.00 C ATOM 648 CG GLN A 47 -1.992 9.640 7.131 1.00 0.00 C ATOM 649 CD GLN A 47 -1.145 10.263 8.236 1.00 0.00 C ATOM 650 OE1 GLN A 47 -0.544 11.316 8.052 1.00 0.00 O ATOM 651 NE2 GLN A 47 -1.089 9.622 9.401 1.00 0.00 N ATOM 0 H GLN A 47 -1.240 5.892 6.387 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.451 7.691 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.264 7.675 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.504 8.379 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.998 10.296 6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.024 9.549 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.599 8.748 9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.536 10.005 10.168 1.00 0.00 H new ATOM 660 N PHE A 48 -1.228 7.660 3.732 1.00 0.00 N ATOM 661 CA PHE A 48 -0.917 8.044 2.366 1.00 0.00 C ATOM 662 C PHE A 48 -1.633 7.113 1.380 1.00 0.00 C ATOM 663 O PHE A 48 -0.986 6.408 0.601 1.00 0.00 O ATOM 664 CB PHE A 48 0.610 8.039 2.207 1.00 0.00 C ATOM 665 CG PHE A 48 1.307 9.005 3.144 1.00 0.00 C ATOM 666 CD1 PHE A 48 1.241 10.389 2.898 1.00 0.00 C ATOM 667 CD2 PHE A 48 1.888 8.535 4.337 1.00 0.00 C ATOM 668 CE1 PHE A 48 1.712 11.299 3.860 1.00 0.00 C ATOM 669 CE2 PHE A 48 2.342 9.446 5.307 1.00 0.00 C ATOM 670 CZ PHE A 48 2.243 10.828 5.073 1.00 0.00 C ATOM 0 H PHE A 48 -0.485 7.115 4.169 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.277 9.048 2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.985 7.032 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.863 8.293 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.828 10.752 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.985 7.473 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.666 12.361 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.767 9.084 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.575 11.528 5.825 1.00 0.00 H new ATOM 680 N MET A 49 -2.969 7.142 1.403 1.00 0.00 N ATOM 681 CA MET A 49 -3.863 6.253 0.666 1.00 0.00 C ATOM 682 C MET A 49 -4.901 7.073 -0.112 1.00 0.00 C ATOM 683 O MET A 49 -5.157 8.223 0.245 1.00 0.00 O ATOM 684 CB MET A 49 -4.503 5.317 1.699 1.00 0.00 C ATOM 685 CG MET A 49 -5.335 4.170 1.122 1.00 0.00 C ATOM 686 SD MET A 49 -7.074 4.518 0.782 1.00 0.00 S ATOM 687 CE MET A 49 -7.603 2.852 0.340 1.00 0.00 C ATOM 0 H MET A 49 -3.479 7.822 1.966 1.00 0.00 H new ATOM 0 HA MET A 49 -3.329 5.662 -0.078 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.713 4.893 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.140 5.910 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.866 3.843 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.286 3.331 1.817 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.641 2.876 0.008 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.974 2.472 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.515 2.200 1.209 1.00 0.00 H new ATOM 697 N GLN A 50 -5.491 6.502 -1.173 1.00 0.00 N ATOM 698 CA GLN A 50 -6.593 7.105 -1.920 1.00 0.00 C ATOM 699 C GLN A 50 -7.647 6.058 -2.301 1.00 0.00 C ATOM 700 O GLN A 50 -7.523 5.390 -3.328 1.00 0.00 O ATOM 701 CB GLN A 50 -6.092 7.766 -3.213 1.00 0.00 C ATOM 702 CG GLN A 50 -5.150 8.952 -2.995 1.00 0.00 C ATOM 703 CD GLN A 50 -4.637 9.508 -4.324 1.00 0.00 C ATOM 704 OE1 GLN A 50 -4.886 8.950 -5.389 1.00 0.00 O ATOM 705 NE2 GLN A 50 -3.907 10.618 -4.284 1.00 0.00 N ATOM 0 H GLN A 50 -5.207 5.593 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.037 7.856 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.578 7.016 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.953 8.103 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.671 9.737 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.306 8.640 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.711 11.067 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.543 11.021 -5.148 1.00 0.00 H new ATOM 714 N ALA A 51 -8.781 6.022 -1.597 1.00 0.00 N ATOM 715 CA ALA A 51 -10.022 5.567 -2.221 1.00 0.00 C ATOM 716 C ALA A 51 -10.640 6.750 -2.961 1.00 0.00 C ATOM 717 O ALA A 51 -11.761 7.168 -2.684 1.00 0.00 O ATOM 718 CB ALA A 51 -10.975 4.981 -1.194 1.00 0.00 C ATOM 0 H ALA A 51 -8.865 6.296 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.812 4.765 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.888 4.652 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.503 4.130 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.220 5.739 -0.450 1.00 0.00 H new ATOM 724 N ASP A 52 -9.850 7.281 -3.888 1.00 0.00 N ATOM 725 CA ASP A 52 -10.115 8.488 -4.656 1.00 0.00 C ATOM 726 C ASP A 52 -9.325 8.380 -5.964 1.00 0.00 C ATOM 727 O ASP A 52 -8.623 9.296 -6.384 1.00 0.00 O ATOM 728 CB ASP A 52 -9.730 9.716 -3.814 1.00 0.00 C ATOM 729 CG ASP A 52 -10.082 11.032 -4.496 1.00 0.00 C ATOM 730 OD1 ASP A 52 -11.053 11.029 -5.284 1.00 0.00 O ATOM 731 OD2 ASP A 52 -9.396 12.028 -4.178 1.00 0.00 O ATOM 0 H ASP A 52 -8.957 6.855 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.171 8.601 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.237 9.664 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.659 9.691 -3.612 1.00 0.00 H new ATOM 736 N ALA A 53 -9.386 7.186 -6.567 1.00 0.00 N ATOM 737 CA ALA A 53 -8.666 6.830 -7.780 1.00 0.00 C ATOM 738 C ALA A 53 -9.634 6.452 -8.902 1.00 0.00 C ATOM 739 O ALA A 53 -10.602 5.716 -8.702 1.00 0.00 O ATOM 740 CB ALA A 53 -7.703 5.680 -7.489 1.00 0.00 C ATOM 0 H ALA A 53 -9.958 6.422 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.095 7.697 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.166 5.416 -8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.991 5.987 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.265 4.815 -7.136 1.00 0.00 H new ATOM 746 N ALA A 54 -9.331 6.940 -10.104 1.00 0.00 N ATOM 747 CA ALA A 54 -10.044 6.651 -11.325 1.00 0.00 C ATOM 748 C ALA A 54 -9.800 5.191 -11.687 1.00 0.00 C ATOM 749 O ALA A 54 -8.692 4.792 -12.037 1.00 0.00 O ATOM 750 CB ALA A 54 -9.574 7.589 -12.438 1.00 0.00 C ATOM 0 H ALA A 54 -8.546 7.574 -10.248 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.114 6.812 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.117 7.365 -13.356 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.764 8.622 -12.147 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.506 7.449 -12.605 1.00 0.00 H new ATOM 756 N GLY A 55 -10.859 4.404 -11.563 1.00 0.00 N ATOM 757 CA GLY A 55 -10.855 2.976 -11.837 1.00 0.00 C ATOM 758 C GLY A 55 -10.471 2.173 -10.597 1.00 0.00 C ATOM 759 O GLY A 55 -9.994 1.046 -10.715 1.00 0.00 O ATOM 0 H GLY A 55 -11.769 4.752 -11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.842 2.667 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.154 2.761 -12.644 1.00 0.00 H new ATOM 763 N ALA A 56 -10.707 2.732 -9.403 1.00 0.00 N ATOM 764 CA ALA A 56 -10.673 1.967 -8.169 1.00 0.00 C ATOM 765 C ALA A 56 -11.589 0.745 -8.298 1.00 0.00 C ATOM 766 O ALA A 56 -12.695 0.859 -8.822 1.00 0.00 O ATOM 767 CB ALA A 56 -11.128 2.862 -7.014 1.00 0.00 C ATOM 0 H ALA A 56 -10.924 3.720 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.659 1.620 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.105 2.295 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.460 3.719 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.144 3.210 -7.202 1.00 0.00 H new ATOM 773 N THR A 57 -11.119 -0.414 -7.833 1.00 0.00 N ATOM 774 CA THR A 57 -11.882 -1.656 -7.842 1.00 0.00 C ATOM 775 C THR A 57 -12.506 -1.823 -6.450 1.00 0.00 C ATOM 776 O THR A 57 -13.274 -0.964 -6.022 1.00 0.00 O ATOM 777 CB THR A 57 -10.970 -2.820 -8.274 1.00 0.00 C ATOM 778 OG1 THR A 57 -9.980 -3.058 -7.295 1.00 0.00 O ATOM 779 CG2 THR A 57 -10.259 -2.542 -9.603 1.00 0.00 C ATOM 0 H THR A 57 -10.185 -0.514 -7.435 1.00 0.00 H new ATOM 0 HA THR A 57 -12.695 -1.642 -8.568 1.00 0.00 H new ATOM 0 HB THR A 57 -11.617 -3.689 -8.394 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.542 -2.213 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.629 -3.392 -9.863 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.000 -2.387 -10.387 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.642 -1.649 -9.505 1.00 0.00 H new ATOM 787 N ASP A 58 -12.103 -2.864 -5.711 1.00 0.00 N ATOM 788 CA ASP A 58 -12.222 -2.895 -4.262 1.00 0.00 C ATOM 789 C ASP A 58 -10.918 -3.361 -3.612 1.00 0.00 C ATOM 790 O ASP A 58 -10.376 -2.657 -2.759 1.00 0.00 O ATOM 791 CB ASP A 58 -13.429 -3.699 -3.785 1.00 0.00 C ATOM 792 CG ASP A 58 -13.620 -3.494 -2.285 1.00 0.00 C ATOM 793 OD1 ASP A 58 -13.400 -2.344 -1.831 1.00 0.00 O ATOM 794 OD2 ASP A 58 -13.960 -4.488 -1.616 1.00 0.00 O ATOM 0 H ASP A 58 -11.686 -3.706 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.404 -1.871 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.324 -3.384 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.283 -4.757 -4.002 1.00 0.00 H new ATOM 799 N GLU A 59 -10.379 -4.501 -4.056 1.00 0.00 N ATOM 800 CA GLU A 59 -9.070 -4.974 -3.613 1.00 0.00 C ATOM 801 C GLU A 59 -7.954 -4.037 -4.082 1.00 0.00 C ATOM 802 O GLU A 59 -6.936 -3.911 -3.409 1.00 0.00 O ATOM 803 CB GLU A 59 -8.827 -6.422 -4.074 1.00 0.00 C ATOM 804 CG GLU A 59 -9.198 -7.415 -2.962 1.00 0.00 C ATOM 805 CD GLU A 59 -8.159 -7.423 -1.841 1.00 0.00 C ATOM 806 OE1 GLU A 59 -6.986 -7.699 -2.175 1.00 0.00 O ATOM 807 OE2 GLU A 59 -8.533 -7.130 -0.685 1.00 0.00 O ATOM 0 H GLU A 59 -10.837 -5.116 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.059 -4.968 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.419 -6.629 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.780 -6.551 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.174 -7.154 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.287 -8.416 -3.383 1.00 0.00 H new ATOM 814 N TRP A 60 -8.129 -3.390 -5.237 1.00 0.00 N ATOM 815 CA TRP A 60 -7.161 -2.460 -5.799 1.00 0.00 C ATOM 816 C TRP A 60 -7.711 -1.033 -5.725 1.00 0.00 C ATOM 817 O TRP A 60 -8.756 -0.749 -6.317 1.00 0.00 O ATOM 818 CB TRP A 60 -6.776 -2.942 -7.201 1.00 0.00 C ATOM 819 CG TRP A 60 -6.052 -4.245 -7.167 1.00 0.00 C ATOM 820 CD1 TRP A 60 -6.603 -5.479 -7.145 1.00 0.00 C ATOM 821 CD2 TRP A 60 -4.616 -4.442 -7.082 1.00 0.00 C ATOM 822 NE1 TRP A 60 -5.600 -6.425 -7.092 1.00 0.00 N ATOM 823 CE2 TRP A 60 -4.350 -5.839 -7.079 1.00 0.00 C ATOM 824 CE3 TRP A 60 -3.511 -3.571 -7.024 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -3.045 -6.346 -7.073 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.201 -4.068 -6.943 1.00 0.00 C ATOM 827 CH2 TRP A 60 -1.965 -5.449 -7.050 1.00 0.00 C ATOM 0 H TRP A 60 -8.963 -3.503 -5.813 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.236 -2.434 -5.223 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -7.675 -3.043 -7.809 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.149 -2.192 -7.682 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.662 -5.691 -7.166 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.762 -7.432 -7.066 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.674 -2.504 -7.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -2.871 -7.412 -7.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.374 -3.389 -6.798 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.953 -5.821 -7.115 1.00 0.00 H new ATOM 838 N LYS A 61 -7.035 -0.170 -4.955 1.00 0.00 N ATOM 839 CA LYS A 61 -7.381 1.226 -4.669 1.00 0.00 C ATOM 840 C LYS A 61 -6.155 2.088 -4.977 1.00 0.00 C ATOM 841 O LYS A 61 -5.116 1.561 -5.358 1.00 0.00 O ATOM 842 CB LYS A 61 -7.748 1.377 -3.180 1.00 0.00 C ATOM 843 CG LYS A 61 -9.239 1.557 -2.860 1.00 0.00 C ATOM 844 CD LYS A 61 -10.155 0.533 -3.535 1.00 0.00 C ATOM 845 CE LYS A 61 -11.553 0.515 -2.888 1.00 0.00 C ATOM 846 NZ LYS A 61 -11.651 -0.484 -1.798 1.00 0.00 N ATOM 0 H LYS A 61 -6.174 -0.449 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.232 1.535 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.388 0.496 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.207 2.234 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.377 1.495 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.546 2.558 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.246 0.768 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.708 -0.459 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.782 1.505 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.301 0.295 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.589 -0.933 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.917 -1.209 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.516 -0.012 -0.881 1.00 0.00 H new ATOM 860 N GLY A 62 -6.252 3.405 -4.801 1.00 0.00 N ATOM 861 CA GLY A 62 -5.131 4.298 -5.005 1.00 0.00 C ATOM 862 C GLY A 62 -4.279 4.436 -3.745 1.00 0.00 C ATOM 863 O GLY A 62 -4.743 4.212 -2.625 1.00 0.00 O ATOM 0 H GLY A 62 -7.111 3.874 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.514 3.925 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.498 5.280 -5.305 1.00 0.00 H new ATOM 867 N CYS A 63 -3.029 4.846 -3.949 1.00 0.00 N ATOM 868 CA CYS A 63 -2.099 5.283 -2.922 1.00 0.00 C ATOM 869 C CYS A 63 -2.005 6.805 -3.068 1.00 0.00 C ATOM 870 O CYS A 63 -2.202 7.319 -4.168 1.00 0.00 O ATOM 871 CB CYS A 63 -0.766 4.671 -3.239 1.00 0.00 C ATOM 872 SG CYS A 63 0.530 5.166 -2.092 1.00 0.00 S ATOM 0 H CYS A 63 -2.622 4.883 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.406 5.000 -1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.859 3.585 -3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.475 4.953 -4.251 1.00 0.00 H new ATOM 877 N GLN A 64 -1.662 7.542 -2.012 1.00 0.00 N ATOM 878 CA GLN A 64 -1.396 8.970 -2.166 1.00 0.00 C ATOM 879 C GLN A 64 -0.108 9.175 -2.971 1.00 0.00 C ATOM 880 O GLN A 64 -0.033 10.041 -3.838 1.00 0.00 O ATOM 881 CB GLN A 64 -1.364 9.636 -0.788 1.00 0.00 C ATOM 882 CG GLN A 64 -1.342 11.168 -0.829 1.00 0.00 C ATOM 883 CD GLN A 64 -2.687 11.735 -1.270 1.00 0.00 C ATOM 884 OE1 GLN A 64 -2.804 12.309 -2.345 1.00 0.00 O ATOM 885 NE2 GLN A 64 -3.732 11.549 -0.470 1.00 0.00 N ATOM 0 H GLN A 64 -1.564 7.184 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.195 9.451 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.236 9.312 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.484 9.286 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.089 11.556 0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.563 11.503 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.613 11.068 0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.653 11.887 -0.748 1.00 0.00 H new ATOM 894 N LEU A 65 0.907 8.360 -2.682 1.00 0.00 N ATOM 895 CA LEU A 65 2.204 8.396 -3.348 1.00 0.00 C ATOM 896 C LEU A 65 2.151 7.811 -4.766 1.00 0.00 C ATOM 897 O LEU A 65 2.999 8.153 -5.587 1.00 0.00 O ATOM 898 CB LEU A 65 3.260 7.668 -2.501 1.00 0.00 C ATOM 899 CG LEU A 65 3.270 8.079 -1.018 1.00 0.00 C ATOM 900 CD1 LEU A 65 4.415 7.362 -0.296 1.00 0.00 C ATOM 901 CD2 LEU A 65 3.424 9.594 -0.829 1.00 0.00 C ATOM 0 H LEU A 65 0.846 7.641 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 65 2.486 9.444 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.086 6.594 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.245 7.859 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 65 2.307 7.791 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.422 7.653 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.275 6.284 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.364 7.638 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.425 9.830 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.363 9.923 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.593 10.107 -1.314 1.00 0.00 H new ATOM 913 N PHE A 66 1.172 6.947 -5.064 1.00 0.00 N ATOM 914 CA PHE A 66 0.946 6.391 -6.394 1.00 0.00 C ATOM 915 C PHE A 66 -0.400 6.870 -6.934 1.00 0.00 C ATOM 916 O PHE A 66 -1.347 6.084 -6.962 1.00 0.00 O ATOM 917 CB PHE A 66 0.996 4.852 -6.412 1.00 0.00 C ATOM 918 CG PHE A 66 2.339 4.228 -6.135 1.00 0.00 C ATOM 919 CD1 PHE A 66 3.237 4.029 -7.196 1.00 0.00 C ATOM 920 CD2 PHE A 66 2.580 3.628 -4.886 1.00 0.00 C ATOM 921 CE1 PHE A 66 4.347 3.191 -7.021 1.00 0.00 C ATOM 922 CE2 PHE A 66 3.711 2.821 -4.700 1.00 0.00 C ATOM 923 CZ PHE A 66 4.603 2.616 -5.765 1.00 0.00 C ATOM 0 H PHE A 66 0.504 6.612 -4.370 1.00 0.00 H new ATOM 0 HA PHE A 66 1.756 6.747 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.285 4.477 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.654 4.509 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.073 4.520 -8.144 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.893 3.789 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.006 2.987 -7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.896 2.359 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.488 2.015 -5.618 1.00 0.00 H new ATOM 933 N PRO A 67 -0.498 8.116 -7.420 1.00 0.00 N ATOM 934 CA PRO A 67 -1.634 8.505 -8.229 1.00 0.00 C ATOM 935 C PRO A 67 -1.594 7.723 -9.545 1.00 0.00 C ATOM 936 O PRO A 67 -0.541 7.231 -9.956 1.00 0.00 O ATOM 937 CB PRO A 67 -1.471 10.007 -8.468 1.00 0.00 C ATOM 938 CG PRO A 67 0.046 10.198 -8.433 1.00 0.00 C ATOM 939 CD PRO A 67 0.509 9.167 -7.402 1.00 0.00 C ATOM 0 HA PRO A 67 -2.591 8.294 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.894 10.312 -9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.970 10.595 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.496 10.020 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.317 11.212 -8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.492 8.772 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.592 9.613 -6.411 1.00 0.00 H new ATOM 947 N GLY A 68 -2.741 7.601 -10.217 1.00 0.00 N ATOM 948 CA GLY A 68 -2.848 6.950 -11.518 1.00 0.00 C ATOM 949 C GLY A 68 -2.783 5.423 -11.423 1.00 0.00 C ATOM 950 O GLY A 68 -3.635 4.732 -11.981 1.00 0.00 O ATOM 0 H GLY A 68 -3.630 7.957 -9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.787 7.241 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.045 7.304 -12.164 1.00 0.00 H new ATOM 954 N LYS A 69 -1.763 4.886 -10.751 1.00 0.00 N ATOM 955 CA LYS A 69 -1.638 3.457 -10.508 1.00 0.00 C ATOM 956 C LYS A 69 -2.552 3.042 -9.351 1.00 0.00 C ATOM 957 O LYS A 69 -3.198 3.882 -8.726 1.00 0.00 O ATOM 958 CB LYS A 69 -0.174 3.081 -10.224 1.00 0.00 C ATOM 959 CG LYS A 69 0.814 3.774 -11.172 1.00 0.00 C ATOM 960 CD LYS A 69 2.156 3.028 -11.208 1.00 0.00 C ATOM 961 CE LYS A 69 3.154 3.775 -12.105 1.00 0.00 C ATOM 962 NZ LYS A 69 4.409 3.019 -12.291 1.00 0.00 N ATOM 0 H LYS A 69 -0.999 5.437 -10.360 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.950 2.917 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.071 3.345 -9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.058 2.001 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.391 3.818 -12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.974 4.802 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.558 2.940 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.007 2.015 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.697 3.963 -13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.379 4.747 -11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.178 3.676 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.646 2.517 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.288 2.330 -13.061 1.00 0.00 H new ATOM 976 N LEU A 70 -2.601 1.739 -9.069 1.00 0.00 N ATOM 977 CA LEU A 70 -3.455 1.150 -8.052 1.00 0.00 C ATOM 978 C LEU A 70 -2.631 0.223 -7.160 1.00 0.00 C ATOM 979 O LEU A 70 -1.943 -0.657 -7.667 1.00 0.00 O ATOM 980 CB LEU A 70 -4.574 0.366 -8.750 1.00 0.00 C ATOM 981 CG LEU A 70 -5.659 1.272 -9.361 1.00 0.00 C ATOM 982 CD1 LEU A 70 -6.628 0.425 -10.191 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.484 2.043 -8.325 1.00 0.00 C ATOM 0 H LEU A 70 -2.030 1.051 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.890 1.930 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.140 -0.252 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.037 -0.311 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.125 2.003 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.395 1.068 -10.623 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.081 -0.075 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.098 -0.322 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.226 2.658 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.989 1.338 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.825 2.682 -7.738 1.00 0.00 H new ATOM 995 N ILE A 71 -2.702 0.394 -5.841 1.00 0.00 N ATOM 996 CA ILE A 71 -2.097 -0.506 -4.872 1.00 0.00 C ATOM 997 C ILE A 71 -3.129 -1.535 -4.419 1.00 0.00 C ATOM 998 O ILE A 71 -4.331 -1.260 -4.414 1.00 0.00 O ATOM 999 CB ILE A 71 -1.490 0.280 -3.692 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.396 1.329 -3.015 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -0.241 1.011 -4.201 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -3.632 0.790 -2.291 1.00 0.00 C ATOM 0 H ILE A 71 -3.192 1.179 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.271 -1.043 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.296 -0.472 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.795 1.888 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.726 2.038 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.208 1.576 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.478 0.284 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.521 1.694 -5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.189 1.620 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.267 0.259 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.322 0.107 -1.500 1.00 0.00 H new ATOM 1014 N ASN A 72 -2.669 -2.736 -4.058 1.00 0.00 N ATOM 1015 CA ASN A 72 -3.539 -3.687 -3.386 1.00 0.00 C ATOM 1016 C ASN A 72 -3.756 -3.232 -1.943 1.00 0.00 C ATOM 1017 O ASN A 72 -2.789 -3.008 -1.218 1.00 0.00 O ATOM 1018 CB ASN A 72 -2.952 -5.092 -3.367 1.00 0.00 C ATOM 1019 CG ASN A 72 -3.944 -6.038 -2.703 1.00 0.00 C ATOM 1020 OD1 ASN A 72 -3.808 -6.354 -1.526 1.00 0.00 O ATOM 1021 ND2 ASN A 72 -4.976 -6.446 -3.429 1.00 0.00 N ATOM 0 H ASN A 72 -1.716 -3.063 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.479 -3.720 -3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.738 -5.424 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.007 -5.097 -2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.690 -7.043 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.056 -6.163 -4.406 1.00 0.00 H new ATOM 1028 N VAL A 73 -5.011 -3.141 -1.510 1.00 0.00 N ATOM 1029 CA VAL A 73 -5.354 -2.677 -0.170 1.00 0.00 C ATOM 1030 C VAL A 73 -4.668 -3.528 0.900 1.00 0.00 C ATOM 1031 O VAL A 73 -4.225 -3.005 1.917 1.00 0.00 O ATOM 1032 CB VAL A 73 -6.878 -2.621 0.051 1.00 0.00 C ATOM 1033 CG1 VAL A 73 -7.543 -1.617 -0.892 1.00 0.00 C ATOM 1034 CG2 VAL A 73 -7.553 -3.997 -0.020 1.00 0.00 C ATOM 0 H VAL A 73 -5.820 -3.388 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.982 -1.657 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.023 -2.270 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.617 -1.603 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.132 -0.623 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.354 -1.908 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.625 -3.885 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.380 -4.437 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.134 -4.648 0.748 1.00 0.00 H new ATOM 1044 N ASN A 74 -4.565 -4.840 0.682 1.00 0.00 N ATOM 1045 CA ASN A 74 -3.991 -5.772 1.640 1.00 0.00 C ATOM 1046 C ASN A 74 -2.468 -5.872 1.482 1.00 0.00 C ATOM 1047 O ASN A 74 -1.845 -6.709 2.133 1.00 0.00 O ATOM 1048 CB ASN A 74 -4.667 -7.141 1.449 1.00 0.00 C ATOM 1049 CG ASN A 74 -5.214 -7.692 2.762 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -4.497 -7.813 3.754 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -6.507 -8.001 2.794 1.00 0.00 N ATOM 0 H ASN A 74 -4.884 -5.286 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.172 -5.413 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.479 -7.048 0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.948 -7.846 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.927 -8.348 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.079 -7.891 1.956 1.00 0.00 H new ATOM 1058 N GLY A 75 -1.861 -5.009 0.660 1.00 0.00 N ATOM 1059 CA GLY A 75 -0.416 -4.910 0.495 1.00 0.00 C ATOM 1060 C GLY A 75 0.090 -3.761 1.354 1.00 0.00 C ATOM 1061 O GLY A 75 -0.701 -3.136 2.049 1.00 0.00 O ATOM 0 H GLY A 75 -2.377 -4.347 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.064 -5.843 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.165 -4.739 -0.552 1.00 0.00 H new ATOM 1065 N TRP A 76 1.399 -3.525 1.406 1.00 0.00 N ATOM 1066 CA TRP A 76 1.964 -2.548 2.330 1.00 0.00 C ATOM 1067 C TRP A 76 3.221 -1.952 1.708 1.00 0.00 C ATOM 1068 O TRP A 76 3.864 -2.650 0.924 1.00 0.00 O ATOM 1069 CB TRP A 76 2.265 -3.229 3.669 1.00 0.00 C ATOM 1070 CG TRP A 76 2.972 -2.412 4.707 1.00 0.00 C ATOM 1071 CD1 TRP A 76 2.417 -1.848 5.803 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.405 -2.193 4.833 1.00 0.00 C ATOM 1073 NE1 TRP A 76 3.405 -1.319 6.612 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.658 -1.517 6.063 1.00 0.00 C ATOM 1075 CE3 TRP A 76 5.520 -2.568 4.057 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 5.962 -1.260 6.510 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 6.827 -2.309 4.490 1.00 0.00 C ATOM 1078 CH2 TRP A 76 7.048 -1.678 5.723 1.00 0.00 C ATOM 0 H TRP A 76 2.087 -3.997 0.819 1.00 0.00 H new ATOM 0 HA TRP A 76 1.256 -1.741 2.517 1.00 0.00 H new ATOM 0 HB2 TRP A 76 1.322 -3.572 4.094 1.00 0.00 H new ATOM 0 HB3 TRP A 76 2.866 -4.116 3.470 1.00 0.00 H new ATOM 0 HD1 TRP A 76 1.359 -1.816 6.015 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.232 -0.845 7.498 1.00 0.00 H new ATOM 0 HE3 TRP A 76 5.364 -3.064 3.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.129 -0.748 7.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 7.666 -2.596 3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 76 8.058 -1.513 6.069 1.00 0.00 H new ATOM 1089 N CYS A 77 3.581 -0.713 2.076 1.00 0.00 N ATOM 1090 CA CYS A 77 4.872 -0.097 1.775 1.00 0.00 C ATOM 1091 C CYS A 77 5.418 0.579 3.044 1.00 0.00 C ATOM 1092 O CYS A 77 4.644 0.880 3.951 1.00 0.00 O ATOM 1093 CB CYS A 77 4.767 0.833 0.580 1.00 0.00 C ATOM 1094 SG CYS A 77 4.411 2.552 1.043 1.00 0.00 S ATOM 0 H CYS A 77 2.962 -0.099 2.605 1.00 0.00 H new ATOM 0 HA CYS A 77 5.594 -0.859 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 77 5.701 0.800 0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 77 3.983 0.472 -0.085 1.00 0.00 H new ATOM 1099 N ALA A 78 6.739 0.782 3.139 1.00 0.00 N ATOM 1100 CA ALA A 78 7.406 1.405 4.279 1.00 0.00 C ATOM 1101 C ALA A 78 6.759 2.724 4.681 1.00 0.00 C ATOM 1102 O ALA A 78 6.584 2.988 5.875 1.00 0.00 O ATOM 1103 CB ALA A 78 8.897 1.593 3.988 1.00 0.00 C ATOM 0 H ALA A 78 7.387 0.508 2.401 1.00 0.00 H new ATOM 0 HA ALA A 78 7.295 0.730 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.380 2.058 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.355 0.623 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.019 2.232 3.113 1.00 0.00 H new ATOM 1109 N SER A 79 6.404 3.562 3.708 1.00 0.00 N ATOM 1110 CA SER A 79 5.702 4.813 3.951 1.00 0.00 C ATOM 1111 C SER A 79 4.231 4.539 4.267 1.00 0.00 C ATOM 1112 O SER A 79 3.343 5.012 3.566 1.00 0.00 O ATOM 1113 CB SER A 79 5.865 5.730 2.737 1.00 0.00 C ATOM 1114 OG SER A 79 7.246 5.936 2.504 1.00 0.00 O ATOM 0 H SER A 79 6.599 3.387 2.722 1.00 0.00 H new ATOM 0 HA SER A 79 6.130 5.318 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.397 5.282 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.366 6.683 2.914 1.00 0.00 H new ATOM 0 HG SER A 79 7.363 6.521 1.727 1.00 0.00 H new ATOM 1120 N TRP A 80 3.975 3.773 5.326 1.00 0.00 N ATOM 1121 CA TRP A 80 2.636 3.429 5.757 1.00 0.00 C ATOM 1122 C TRP A 80 2.092 4.575 6.625 1.00 0.00 C ATOM 1123 O TRP A 80 1.663 5.599 6.101 1.00 0.00 O ATOM 1124 CB TRP A 80 2.674 2.043 6.421 1.00 0.00 C ATOM 1125 CG TRP A 80 1.380 1.596 7.008 1.00 0.00 C ATOM 1126 CD1 TRP A 80 0.304 1.169 6.315 1.00 0.00 C ATOM 1127 CD2 TRP A 80 0.972 1.637 8.400 1.00 0.00 C ATOM 1128 NE1 TRP A 80 -0.772 1.047 7.168 1.00 0.00 N ATOM 1129 CE2 TRP A 80 -0.426 1.369 8.468 1.00 0.00 C ATOM 1130 CE3 TRP A 80 1.650 1.912 9.608 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 -1.128 1.434 9.681 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 0.963 1.954 10.827 1.00 0.00 C ATOM 1133 CH2 TRP A 80 -0.419 1.729 10.857 1.00 0.00 C ATOM 0 H TRP A 80 4.707 3.372 5.912 1.00 0.00 H new ATOM 0 HA TRP A 80 1.932 3.333 4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.994 1.310 5.681 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.429 2.053 7.207 1.00 0.00 H new ATOM 0 HD1 TRP A 80 0.288 0.956 5.256 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.705 0.756 6.877 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.715 2.093 9.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.194 1.260 9.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.498 2.160 11.743 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.947 1.783 11.798 1.00 0.00 H new ATOM 1144 N THR A 81 2.190 4.453 7.951 1.00 0.00 N ATOM 1145 CA THR A 81 1.570 5.336 8.941 1.00 0.00 C ATOM 1146 C THR A 81 0.060 5.078 9.001 1.00 0.00 C ATOM 1147 O THR A 81 -0.600 5.130 7.968 1.00 0.00 O ATOM 1148 CB THR A 81 1.848 6.824 8.645 1.00 0.00 C ATOM 1149 OG1 THR A 81 3.142 6.997 8.106 1.00 0.00 O ATOM 1150 CG2 THR A 81 1.710 7.678 9.906 1.00 0.00 C ATOM 0 H THR A 81 2.728 3.702 8.383 1.00 0.00 H new ATOM 0 HA THR A 81 2.016 5.110 9.910 1.00 0.00 H new ATOM 0 HB THR A 81 1.106 7.150 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.296 7.948 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.912 8.721 9.663 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.697 7.587 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.422 7.336 10.657 1.00 0.00 H new ATOM 1158 N LEU A 82 -0.505 4.812 10.186 1.00 0.00 N ATOM 1159 CA LEU A 82 -1.937 4.686 10.360 1.00 0.00 C ATOM 1160 C LEU A 82 -2.685 5.915 9.860 1.00 0.00 C ATOM 1161 O LEU A 82 -2.181 7.038 9.815 1.00 0.00 O ATOM 1162 CB LEU A 82 -2.256 4.483 11.845 1.00 0.00 C ATOM 1163 CG LEU A 82 -3.255 3.403 12.257 1.00 0.00 C ATOM 1164 CD1 LEU A 82 -3.618 3.550 13.735 1.00 0.00 C ATOM 1165 CD2 LEU A 82 -4.506 3.190 11.419 1.00 0.00 C ATOM 0 H LEU A 82 0.029 4.680 11.045 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.264 3.828 9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.316 4.271 12.355 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.623 5.433 12.234 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.695 2.489 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.331 2.774 14.014 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.718 3.452 14.342 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.065 4.530 13.904 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.102 2.387 11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.093 4.109 11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.221 2.921 10.402 1.00 0.00 H new ATOM 1177 N LYS A 83 -3.945 5.650 9.567 1.00 0.00 N ATOM 1178 CA LYS A 83 -4.958 6.630 9.226 1.00 0.00 C ATOM 1179 C LYS A 83 -5.099 7.636 10.367 1.00 0.00 C ATOM 1180 O LYS A 83 -5.312 7.253 11.515 1.00 0.00 O ATOM 1181 CB LYS A 83 -6.279 5.910 8.924 1.00 0.00 C ATOM 1182 CG LYS A 83 -7.419 6.874 8.565 1.00 0.00 C ATOM 1183 CD LYS A 83 -8.669 6.145 8.043 1.00 0.00 C ATOM 1184 CE LYS A 83 -9.412 5.281 9.078 1.00 0.00 C ATOM 1185 NZ LYS A 83 -10.053 6.083 10.140 1.00 0.00 N ATOM 0 H LYS A 83 -4.307 4.696 9.560 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.668 7.183 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.127 5.213 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.571 5.318 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.685 7.459 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.071 7.577 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.363 6.887 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.375 5.509 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.171 4.686 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.710 4.581 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.675 5.473 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.321 6.497 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.615 6.844 9.709 1.00 0.00 H new ATOM 1199 N ALA A 84 -4.995 8.921 10.026 1.00 0.00 N ATOM 1200 CA ALA A 84 -5.198 10.043 10.933 1.00 0.00 C ATOM 1201 C ALA A 84 -6.537 10.689 10.583 1.00 0.00 C ATOM 1202 O ALA A 84 -6.588 11.728 9.928 1.00 0.00 O ATOM 1203 CB ALA A 84 -4.025 11.021 10.814 1.00 0.00 C ATOM 0 H ALA A 84 -4.759 9.215 9.078 1.00 0.00 H new ATOM 0 HA ALA A 84 -5.230 9.717 11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.180 11.859 11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.098 10.510 11.073 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.962 11.391 9.791 1.00 0.00 H new ATOM 1209 N GLY A 85 -7.619 10.024 10.977 1.00 0.00 N ATOM 1210 CA GLY A 85 -8.981 10.274 10.552 1.00 0.00 C ATOM 1211 C GLY A 85 -9.643 8.907 10.642 1.00 0.00 C ATOM 1212 O GLY A 85 -10.558 8.596 9.848 1.00 0.00 O ATOM 1213 OXT GLY A 85 -9.121 8.077 11.427 1.00 0.00 O ATOM 0 H GLY A 85 -7.558 9.252 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.475 11.001 11.197 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.018 10.671 9.537 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 0.235 1.672 0.529 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 0.369 3.688 1.943 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 0.654 3.903 -0.495 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 2.407 2.801 0.877 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 1.865 4.866 0.963 1.00 0.00 S HETATM 1223 S2 SF4 A 86 1.684 2.077 -1.015 1.00 0.00 S HETATM 1224 S3 SF4 A 86 1.283 1.782 2.396 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -1.184 3.295 0.469 1.00 0.00 S CONECT 604 1218 CONECT 638 1219 CONECT 872 1220 CONECT 1094 1221 CONECT 1218 604 1223 1224 1225 CONECT 1219 638 1222 1224 1225 CONECT 1220 872 1222 1223 1225 CONECT 1221 1094 1222 1223 1224 CONECT 1222 1219 1220 1221 CONECT 1223 1218 1220 1221 CONECT 1224 1218 1219 1221 CONECT 1225 1218 1219 1220 END