HEADER ELECTRON TRANSPORT 10-JAN-98 1A2S TITLE THE SOLUTION NMR STRUCTURE OF OXIDIZED CYTOCHROME C6 FROM TITLE 2 THE GREEN ALGA MONORAPHIDIUM BRAUNII, MINIMIZED AVERAGE TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C6; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CYTOCHROME C552; COMPND 5 OTHER_DETAILS: OXIDIZED FORM SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MONORAPHIDIUM BRAUNII; SOURCE 3 ORGANISM_TAXID: 34112 KEYWDS CYTOCHROME C6, PHOTOSYSTEM I, ELECTRON TRANSPORT, KEYWDS 2 PARAMAGNETIC NMR, SOLUTION STRUCTURE, HEME PROTEIN EXPDTA SOLUTION NMR AUTHOR L.BANCI,I.BERTINI,M.A.DE LA ROSA,D.KOULOUGLIOTIS, AUTHOR 2 J.A.NAVARRO,O.WALTER REVDAT 2 24-FEB-09 1A2S 1 VERSN REVDAT 1 29-APR-98 1A2S 0 JRNL AUTH L.BANCI,I.BERTINI,M.A.DE LA ROSA,D.KOULOUGLIOTIS, JRNL AUTH 2 J.A.NAVARRO,O.WALTER JRNL TITL SOLUTION STRUCTURE OF OXIDIZED CYTOCHROME C6 FROM JRNL TITL 2 THE GREEN ALGA MONORAPHIDIUM BRAUNII. JRNL REF BIOCHEMISTRY V. 37 4831 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9538000 JRNL DOI 10.1021/BI972765Y REMARK 1 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 1A2S 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) : 300 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY, 1D NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX 500, AMX 600, AVANCE 800 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, PSEUDYANA, AMBER REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE 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 ALA A 2 152.86 123.98 REMARK 500 ALA A 20 122.08 -39.39 REMARK 500 ASN A 25 -55.82 -120.08 REMARK 500 ASP A 29 -45.97 -160.50 REMARK 500 HIS A 30 94.15 -66.87 REMARK 500 THR A 31 -131.04 -87.24 REMARK 500 LEU A 32 39.34 -145.00 REMARK 500 PHE A 45 84.65 -63.66 REMARK 500 GLN A 53 -50.85 -123.88 REMARK 500 ASP A 69 165.69 47.60 REMARK 500 ASP A 71 -72.88 -78.97 REMARK 500 ASN A 87 17.24 82.97 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ARG A 67 LEU A 68 -145.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 GLU A 1 121.0 ALPHA-CARBON REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 90 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 19 NE2 REMARK 620 2 MET A 61 SD 167.1 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: NUL REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: HEC SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 90 DBREF 1A2S A 1 89 UNP Q09099 CYC6_MONBR 1 89 SEQRES 1 A 89 GLU ALA ASP LEU ALA LEU GLY LYS ALA VAL PHE ASP GLY SEQRES 2 A 89 ASN CYS ALA ALA CYS HIS ALA GLY GLY GLY ASN ASN VAL SEQRES 3 A 89 ILE PRO ASP HIS THR LEU GLN LYS ALA ALA ILE GLU GLN SEQRES 4 A 89 PHE LEU ASP GLY GLY PHE ASN ILE GLU ALA ILE VAL TYR SEQRES 5 A 89 GLN ILE GLU ASN GLY LYS GLY ALA MET PRO ALA TRP ASP SEQRES 6 A 89 GLY ARG LEU ASP GLU ASP GLU ILE ALA GLY VAL ALA ALA SEQRES 7 A 89 TYR VAL TYR ASP GLN ALA ALA GLY ASN LYS TRP HET HEC A 90 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 HELIX 1 1 LEU A 4 ASN A 14 1 11 HELIX 2 2 ALA A 16 HIS A 19 1 4 HELIX 3 3 LYS A 34 PHE A 40 1 7 HELIX 4 4 ILE A 47 ILE A 54 1 8 HELIX 5 5 GLU A 72 GLY A 86 1 15 LINK FE HEC A 90 NE2 HIS A 19 1555 1555 1.98 LINK CAB HEC A 90 SG CYS A 15 1555 1555 1.82 LINK CAC HEC A 90 SG CYS A 18 1555 1555 1.83 LINK FE HEC A 90 SD MET A 61 1555 1555 2.44 SITE 1 NUL 1 HEC A 90 SITE 1 AC1 19 ASN A 14 CYS A 15 CYS A 18 HIS A 19 SITE 2 AC1 19 ASN A 24 ILE A 27 HIS A 30 THR A 31 SITE 3 AC1 19 LEU A 32 PHE A 40 LEU A 41 ILE A 50 SITE 4 AC1 19 GLN A 53 ILE A 54 LYS A 58 GLY A 59 SITE 5 AC1 19 ALA A 60 MET A 61 TRP A 64 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 ATOM 1 N GLU A 1 3.529 -3.067 -13.384 1.00 0.00 N ATOM 2 CA GLU A 1 3.979 -1.890 -14.136 1.00 0.00 C ATOM 3 C GLU A 1 3.946 -0.732 -13.150 1.00 0.00 C ATOM 4 O GLU A 1 4.335 -0.984 -12.011 1.00 0.00 O ATOM 5 CB GLU A 1 5.395 -2.126 -14.694 1.00 0.00 C ATOM 6 CG GLU A 1 5.746 -1.192 -15.857 1.00 0.00 C ATOM 7 CD GLU A 1 5.010 -1.597 -17.126 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.800 -1.294 -17.186 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.654 -2.247 -17.972 1.00 0.00 O ATOM 10 H1 GLU A 1 4.090 -3.082 -12.540 1.00 0.00 H ATOM 11 H2 GLU A 1 2.564 -2.933 -13.123 1.00 0.00 H ATOM 12 H3 GLU A 1 3.638 -3.908 -13.930 1.00 0.00 H ATOM 13 HA GLU A 1 3.253 -1.727 -14.930 1.00 0.00 H ATOM 14 HB2 GLU A 1 6.131 -1.990 -13.899 1.00 0.00 H ATOM 15 HB3 GLU A 1 5.485 -3.145 -15.076 1.00 0.00 H ATOM 16 HG2 GLU A 1 5.511 -0.156 -15.612 1.00 0.00 H ATOM 17 HG3 GLU A 1 6.816 -1.265 -16.055 1.00 0.00 H ATOM 18 N ALA A 2 3.414 0.428 -13.554 1.00 0.00 N ATOM 19 CA ALA A 2 3.133 1.629 -12.760 1.00 0.00 C ATOM 20 C ALA A 2 3.827 2.847 -13.357 1.00 0.00 C ATOM 21 O ALA A 2 4.898 2.725 -13.948 1.00 0.00 O ATOM 22 CB ALA A 2 3.563 1.524 -11.294 1.00 0.00 C ATOM 23 H ALA A 2 3.178 0.498 -14.536 1.00 0.00 H ATOM 24 HA ALA A 2 2.055 1.794 -12.788 1.00 0.00 H ATOM 25 HB1 ALA A 2 4.633 1.331 -11.229 1.00 0.00 H ATOM 26 HB2 ALA A 2 3.380 2.472 -10.791 1.00 0.00 H ATOM 27 HB3 ALA A 2 2.999 0.741 -10.791 1.00 0.00 H ATOM 28 N ASP A 3 3.243 4.024 -13.113 1.00 0.00 N ATOM 29 CA ASP A 3 3.940 5.295 -13.166 1.00 0.00 C ATOM 30 C ASP A 3 3.592 6.041 -11.876 1.00 0.00 C ATOM 31 O ASP A 3 2.413 6.202 -11.535 1.00 0.00 O ATOM 32 CB ASP A 3 3.565 6.088 -14.420 1.00 0.00 C ATOM 33 CG ASP A 3 4.463 7.309 -14.564 1.00 0.00 C ATOM 34 OD1 ASP A 3 4.606 8.035 -13.553 1.00 0.00 O ATOM 35 OD2 ASP A 3 5.002 7.490 -15.673 1.00 0.00 O ATOM 36 H ASP A 3 2.356 4.043 -12.629 1.00 0.00 H ATOM 37 HA ASP A 3 5.018 5.115 -13.198 1.00 0.00 H ATOM 38 HB2 ASP A 3 3.698 5.449 -15.294 1.00 0.00 H ATOM 39 HB3 ASP A 3 2.527 6.409 -14.372 1.00 0.00 H ATOM 40 N LEU A 4 4.630 6.453 -11.143 1.00 0.00 N ATOM 41 CA LEU A 4 4.536 7.211 -9.904 1.00 0.00 C ATOM 42 C LEU A 4 3.572 8.388 -10.047 1.00 0.00 C ATOM 43 O LEU A 4 2.829 8.679 -9.105 1.00 0.00 O ATOM 44 CB LEU A 4 5.937 7.707 -9.509 1.00 0.00 C ATOM 45 CG LEU A 4 6.716 6.758 -8.583 1.00 0.00 C ATOM 46 CD1 LEU A 4 6.260 6.954 -7.137 1.00 0.00 C ATOM 47 CD2 LEU A 4 6.614 5.275 -8.968 1.00 0.00 C ATOM 48 H LEU A 4 5.546 6.333 -11.549 1.00 0.00 H ATOM 49 HA LEU A 4 4.128 6.567 -9.125 1.00 0.00 H ATOM 50 HB2 LEU A 4 6.524 7.884 -10.412 1.00 0.00 H ATOM 51 HB3 LEU A 4 5.846 8.666 -8.997 1.00 0.00 H ATOM 52 HG LEU A 4 7.768 7.043 -8.629 1.00 0.00 H ATOM 53 HD11 LEU A 4 6.410 7.990 -6.830 1.00 0.00 H ATOM 54 HD12 LEU A 4 5.204 6.705 -7.039 1.00 0.00 H ATOM 55 HD13 LEU A 4 6.860 6.312 -6.494 1.00 0.00 H ATOM 56 HD21 LEU A 4 6.897 5.140 -10.011 1.00 0.00 H ATOM 57 HD22 LEU A 4 7.294 4.694 -8.343 1.00 0.00 H ATOM 58 HD23 LEU A 4 5.604 4.895 -8.814 1.00 0.00 H ATOM 59 N ALA A 5 3.582 9.048 -11.212 1.00 0.00 N ATOM 60 CA ALA A 5 2.697 10.163 -11.507 1.00 0.00 C ATOM 61 C ALA A 5 1.260 9.823 -11.123 1.00 0.00 C ATOM 62 O ALA A 5 0.622 10.557 -10.368 1.00 0.00 O ATOM 63 CB ALA A 5 2.786 10.500 -12.998 1.00 0.00 C ATOM 64 H ALA A 5 4.153 8.691 -11.987 1.00 0.00 H ATOM 65 HA ALA A 5 3.018 11.029 -10.929 1.00 0.00 H ATOM 66 HB1 ALA A 5 2.530 9.625 -13.597 1.00 0.00 H ATOM 67 HB2 ALA A 5 2.090 11.305 -13.237 1.00 0.00 H ATOM 68 HB3 ALA A 5 3.800 10.815 -13.246 1.00 0.00 H ATOM 69 N LEU A 6 0.760 8.694 -11.630 1.00 0.00 N ATOM 70 CA LEU A 6 -0.595 8.267 -11.343 1.00 0.00 C ATOM 71 C LEU A 6 -0.650 7.756 -9.908 1.00 0.00 C ATOM 72 O LEU A 6 -1.449 8.243 -9.111 1.00 0.00 O ATOM 73 CB LEU A 6 -1.044 7.209 -12.362 1.00 0.00 C ATOM 74 CG LEU A 6 -2.515 6.792 -12.192 1.00 0.00 C ATOM 75 CD1 LEU A 6 -3.486 7.946 -12.477 1.00 0.00 C ATOM 76 CD2 LEU A 6 -2.824 5.633 -13.148 1.00 0.00 C ATOM 77 H LEU A 6 1.377 8.068 -12.136 1.00 0.00 H ATOM 78 HA LEU A 6 -1.246 9.136 -11.433 1.00 0.00 H ATOM 79 HB2 LEU A 6 -0.907 7.607 -13.368 1.00 0.00 H ATOM 80 HB3 LEU A 6 -0.412 6.325 -12.256 1.00 0.00 H ATOM 81 HG LEU A 6 -2.682 6.446 -11.172 1.00 0.00 H ATOM 82 HD11 LEU A 6 -3.282 8.378 -13.457 1.00 0.00 H ATOM 83 HD12 LEU A 6 -4.511 7.573 -12.463 1.00 0.00 H ATOM 84 HD13 LEU A 6 -3.403 8.718 -11.713 1.00 0.00 H ATOM 85 HD21 LEU A 6 -2.642 5.937 -14.179 1.00 0.00 H ATOM 86 HD22 LEU A 6 -2.193 4.776 -12.909 1.00 0.00 H ATOM 87 HD23 LEU A 6 -3.869 5.336 -13.047 1.00 0.00 H ATOM 88 N GLY A 7 0.217 6.794 -9.570 1.00 0.00 N ATOM 89 CA GLY A 7 0.168 6.081 -8.298 1.00 0.00 C ATOM 90 C GLY A 7 0.014 7.020 -7.101 1.00 0.00 C ATOM 91 O GLY A 7 -0.826 6.801 -6.222 1.00 0.00 O ATOM 92 H GLY A 7 0.930 6.529 -10.246 1.00 0.00 H ATOM 93 HA2 GLY A 7 -0.670 5.383 -8.316 1.00 0.00 H ATOM 94 HA3 GLY A 7 1.092 5.517 -8.179 1.00 0.00 H ATOM 95 N LYS A 8 0.816 8.087 -7.059 1.00 0.00 N ATOM 96 CA LYS A 8 0.786 8.986 -5.925 1.00 0.00 C ATOM 97 C LYS A 8 -0.511 9.797 -5.929 1.00 0.00 C ATOM 98 O LYS A 8 -1.041 10.109 -4.862 1.00 0.00 O ATOM 99 CB LYS A 8 2.085 9.807 -5.854 1.00 0.00 C ATOM 100 CG LYS A 8 2.123 11.085 -6.707 1.00 0.00 C ATOM 101 CD LYS A 8 2.075 12.359 -5.842 1.00 0.00 C ATOM 102 CE LYS A 8 0.819 12.466 -4.956 1.00 0.00 C ATOM 103 NZ LYS A 8 0.809 13.698 -4.143 1.00 0.00 N ATOM 104 H LYS A 8 1.417 8.315 -7.846 1.00 0.00 H ATOM 105 HA LYS A 8 0.772 8.371 -5.028 1.00 0.00 H ATOM 106 HB2 LYS A 8 2.283 10.061 -4.813 1.00 0.00 H ATOM 107 HB3 LYS A 8 2.904 9.157 -6.170 1.00 0.00 H ATOM 108 HG2 LYS A 8 3.073 11.090 -7.246 1.00 0.00 H ATOM 109 HG3 LYS A 8 1.341 11.091 -7.467 1.00 0.00 H ATOM 110 HD2 LYS A 8 2.967 12.371 -5.212 1.00 0.00 H ATOM 111 HD3 LYS A 8 2.120 13.217 -6.516 1.00 0.00 H ATOM 112 HE2 LYS A 8 -0.073 12.461 -5.583 1.00 0.00 H ATOM 113 HE3 LYS A 8 0.760 11.620 -4.268 1.00 0.00 H ATOM 114 HZ1 LYS A 8 0.833 14.527 -4.715 1.00 0.00 H ATOM 115 HZ2 LYS A 8 -0.053 13.748 -3.601 1.00 0.00 H ATOM 116 HZ3 LYS A 8 1.567 13.713 -3.479 1.00 0.00 H ATOM 117 N ALA A 9 -1.031 10.135 -7.116 1.00 0.00 N ATOM 118 CA ALA A 9 -2.246 10.924 -7.235 1.00 0.00 C ATOM 119 C ALA A 9 -3.384 10.217 -6.505 1.00 0.00 C ATOM 120 O ALA A 9 -4.134 10.832 -5.751 1.00 0.00 O ATOM 121 CB ALA A 9 -2.594 11.182 -8.705 1.00 0.00 C ATOM 122 H ALA A 9 -0.654 9.727 -7.965 1.00 0.00 H ATOM 123 HA ALA A 9 -2.042 11.878 -6.759 1.00 0.00 H ATOM 124 HB1 ALA A 9 -1.734 11.601 -9.227 1.00 0.00 H ATOM 125 HB2 ALA A 9 -2.903 10.262 -9.199 1.00 0.00 H ATOM 126 HB3 ALA A 9 -3.420 11.893 -8.758 1.00 0.00 H ATOM 127 N VAL A 10 -3.467 8.900 -6.701 1.00 0.00 N ATOM 128 CA VAL A 10 -4.404 8.063 -5.969 1.00 0.00 C ATOM 129 C VAL A 10 -4.066 8.129 -4.480 1.00 0.00 C ATOM 130 O VAL A 10 -4.932 8.461 -3.669 1.00 0.00 O ATOM 131 CB VAL A 10 -4.384 6.610 -6.477 1.00 0.00 C ATOM 132 CG1 VAL A 10 -5.716 5.894 -6.245 1.00 0.00 C ATOM 133 CG2 VAL A 10 -4.017 6.519 -7.958 1.00 0.00 C ATOM 134 H VAL A 10 -2.813 8.477 -7.349 1.00 0.00 H ATOM 135 HA VAL A 10 -5.402 8.474 -6.132 1.00 0.00 H ATOM 136 HB VAL A 10 -3.653 6.045 -5.911 1.00 0.00 H ATOM 137 HG11 VAL A 10 -6.539 6.449 -6.697 1.00 0.00 H ATOM 138 HG12 VAL A 10 -5.677 4.902 -6.691 1.00 0.00 H ATOM 139 HG13 VAL A 10 -5.876 5.770 -5.178 1.00 0.00 H ATOM 140 HG21 VAL A 10 -4.614 7.211 -8.554 1.00 0.00 H ATOM 141 HG22 VAL A 10 -2.959 6.705 -8.092 1.00 0.00 H ATOM 142 HG23 VAL A 10 -4.188 5.511 -8.301 1.00 0.00 H ATOM 143 N PHE A 11 -2.811 7.819 -4.119 1.00 0.00 N ATOM 144 CA PHE A 11 -2.383 7.712 -2.726 1.00 0.00 C ATOM 145 C PHE A 11 -2.903 8.883 -1.900 1.00 0.00 C ATOM 146 O PHE A 11 -3.541 8.687 -0.865 1.00 0.00 O ATOM 147 CB PHE A 11 -0.856 7.664 -2.643 1.00 0.00 C ATOM 148 CG PHE A 11 -0.315 7.439 -1.246 1.00 0.00 C ATOM 149 CD1 PHE A 11 -0.086 8.536 -0.393 1.00 0.00 C ATOM 150 CD2 PHE A 11 -0.018 6.137 -0.804 1.00 0.00 C ATOM 151 CE1 PHE A 11 0.384 8.326 0.914 1.00 0.00 C ATOM 152 CE2 PHE A 11 0.403 5.926 0.519 1.00 0.00 C ATOM 153 CZ PHE A 11 0.612 7.019 1.376 1.00 0.00 C ATOM 154 H PHE A 11 -2.123 7.645 -4.849 1.00 0.00 H ATOM 155 HA PHE A 11 -2.787 6.787 -2.319 1.00 0.00 H ATOM 156 HB2 PHE A 11 -0.491 6.877 -3.295 1.00 0.00 H ATOM 157 HB3 PHE A 11 -0.453 8.606 -3.008 1.00 0.00 H ATOM 158 HD1 PHE A 11 -0.274 9.545 -0.732 1.00 0.00 H ATOM 159 HD2 PHE A 11 -0.203 5.286 -1.442 1.00 0.00 H ATOM 160 HE1 PHE A 11 0.556 9.171 1.563 1.00 0.00 H ATOM 161 HE2 PHE A 11 0.551 4.921 0.882 1.00 0.00 H ATOM 162 HZ PHE A 11 0.970 6.852 2.379 1.00 0.00 H ATOM 163 N ASP A 12 -2.638 10.089 -2.409 1.00 0.00 N ATOM 164 CA ASP A 12 -2.976 11.364 -1.793 1.00 0.00 C ATOM 165 C ASP A 12 -4.423 11.384 -1.282 1.00 0.00 C ATOM 166 O ASP A 12 -4.692 11.818 -0.165 1.00 0.00 O ATOM 167 CB ASP A 12 -2.723 12.476 -2.824 1.00 0.00 C ATOM 168 CG ASP A 12 -2.280 13.776 -2.175 1.00 0.00 C ATOM 169 OD1 ASP A 12 -2.958 14.226 -1.233 1.00 0.00 O ATOM 170 OD2 ASP A 12 -1.238 14.290 -2.642 1.00 0.00 O ATOM 171 H ASP A 12 -2.156 10.117 -3.303 1.00 0.00 H ATOM 172 HA ASP A 12 -2.303 11.507 -0.946 1.00 0.00 H ATOM 173 HB2 ASP A 12 -1.935 12.173 -3.509 1.00 0.00 H ATOM 174 HB3 ASP A 12 -3.625 12.661 -3.408 1.00 0.00 H ATOM 175 N GLY A 13 -5.359 10.872 -2.088 1.00 0.00 N ATOM 176 CA GLY A 13 -6.775 10.904 -1.771 1.00 0.00 C ATOM 177 C GLY A 13 -7.216 9.620 -1.077 1.00 0.00 C ATOM 178 O GLY A 13 -8.158 9.639 -0.289 1.00 0.00 O ATOM 179 H GLY A 13 -5.081 10.348 -2.909 1.00 0.00 H ATOM 180 HA2 GLY A 13 -7.020 11.765 -1.147 1.00 0.00 H ATOM 181 HA3 GLY A 13 -7.328 10.993 -2.706 1.00 0.00 H ATOM 182 N ASN A 14 -6.581 8.492 -1.414 1.00 0.00 N ATOM 183 CA ASN A 14 -7.113 7.173 -1.114 1.00 0.00 C ATOM 184 C ASN A 14 -6.433 6.563 0.105 1.00 0.00 C ATOM 185 O ASN A 14 -7.100 6.032 0.990 1.00 0.00 O ATOM 186 CB ASN A 14 -6.946 6.228 -2.310 1.00 0.00 C ATOM 187 CG ASN A 14 -7.856 6.572 -3.486 1.00 0.00 C ATOM 188 OD1 ASN A 14 -8.869 5.920 -3.714 1.00 0.00 O ATOM 189 ND2 ASN A 14 -7.472 7.568 -4.277 1.00 0.00 N ATOM 190 H ASN A 14 -5.756 8.548 -1.999 1.00 0.00 H ATOM 191 HA ASN A 14 -8.177 7.269 -0.920 1.00 0.00 H ATOM 192 HB2 ASN A 14 -5.905 6.218 -2.636 1.00 0.00 H ATOM 193 HB3 ASN A 14 -7.195 5.217 -1.989 1.00 0.00 H ATOM 194 HD21 ASN A 14 -6.639 8.091 -4.038 1.00 0.00 H ATOM 195 HD22 ASN A 14 -7.895 7.675 -5.183 1.00 0.00 H ATOM 196 N CYS A 15 -5.099 6.574 0.113 1.00 0.00 N ATOM 197 CA CYS A 15 -4.298 5.810 1.058 1.00 0.00 C ATOM 198 C CYS A 15 -3.843 6.706 2.206 1.00 0.00 C ATOM 199 O CYS A 15 -3.803 6.271 3.358 1.00 0.00 O ATOM 200 CB CYS A 15 -3.085 5.218 0.385 1.00 0.00 C ATOM 201 SG CYS A 15 -3.395 4.266 -1.131 1.00 0.00 S ATOM 202 H CYS A 15 -4.607 7.118 -0.586 1.00 0.00 H ATOM 203 HA CYS A 15 -4.891 4.998 1.463 1.00 0.00 H ATOM 204 HB2 CYS A 15 -2.450 6.053 0.104 1.00 0.00 H ATOM 205 HB3 CYS A 15 -2.539 4.594 1.094 1.00 0.00 H ATOM 206 N ALA A 16 -3.489 7.958 1.887 1.00 0.00 N ATOM 207 CA ALA A 16 -2.823 8.886 2.783 1.00 0.00 C ATOM 208 C ALA A 16 -3.654 9.073 4.040 1.00 0.00 C ATOM 209 O ALA A 16 -3.109 9.213 5.132 1.00 0.00 O ATOM 210 CB ALA A 16 -2.623 10.229 2.077 1.00 0.00 C ATOM 211 H ALA A 16 -3.691 8.303 0.959 1.00 0.00 H ATOM 212 HA ALA A 16 -1.849 8.475 3.046 1.00 0.00 H ATOM 213 HB1 ALA A 16 -2.058 10.089 1.156 1.00 0.00 H ATOM 214 HB2 ALA A 16 -3.591 10.668 1.840 1.00 0.00 H ATOM 215 HB3 ALA A 16 -2.078 10.910 2.730 1.00 0.00 H ATOM 216 N ALA A 17 -4.979 9.040 3.868 1.00 0.00 N ATOM 217 CA ALA A 17 -5.929 9.187 4.949 1.00 0.00 C ATOM 218 C ALA A 17 -5.586 8.294 6.147 1.00 0.00 C ATOM 219 O ALA A 17 -5.830 8.679 7.291 1.00 0.00 O ATOM 220 CB ALA A 17 -7.348 8.916 4.447 1.00 0.00 C ATOM 221 H ALA A 17 -5.336 8.925 2.932 1.00 0.00 H ATOM 222 HA ALA A 17 -5.840 10.232 5.221 1.00 0.00 H ATOM 223 HB1 ALA A 17 -7.585 9.587 3.620 1.00 0.00 H ATOM 224 HB2 ALA A 17 -7.436 7.882 4.112 1.00 0.00 H ATOM 225 HB3 ALA A 17 -8.056 9.090 5.258 1.00 0.00 H ATOM 226 N CYS A 18 -5.015 7.114 5.876 1.00 0.00 N ATOM 227 CA CYS A 18 -4.423 6.265 6.897 1.00 0.00 C ATOM 228 C CYS A 18 -2.901 6.418 6.838 1.00 0.00 C ATOM 229 O CYS A 18 -2.287 6.791 7.833 1.00 0.00 O ATOM 230 CB CYS A 18 -4.923 4.842 6.762 1.00 0.00 C ATOM 231 SG CYS A 18 -6.705 4.837 7.166 1.00 0.00 S ATOM 232 H CYS A 18 -4.823 6.871 4.910 1.00 0.00 H ATOM 233 HA CYS A 18 -4.726 6.600 7.885 1.00 0.00 H ATOM 234 HB2 CYS A 18 -4.752 4.502 5.741 1.00 0.00 H ATOM 235 HB3 CYS A 18 -4.394 4.187 7.456 1.00 0.00 H ATOM 236 N HIS A 19 -2.274 6.143 5.690 1.00 0.00 N ATOM 237 CA HIS A 19 -0.833 5.920 5.623 1.00 0.00 C ATOM 238 C HIS A 19 0.025 7.138 5.256 1.00 0.00 C ATOM 239 O HIS A 19 1.172 6.946 4.847 1.00 0.00 O ATOM 240 CB HIS A 19 -0.543 4.751 4.681 1.00 0.00 C ATOM 241 CG HIS A 19 -1.141 3.444 5.126 1.00 0.00 C ATOM 242 ND1 HIS A 19 -0.619 2.605 6.086 1.00 0.00 N ATOM 243 CD2 HIS A 19 -2.112 2.761 4.452 1.00 0.00 C ATOM 244 CE1 HIS A 19 -1.252 1.422 5.964 1.00 0.00 C ATOM 245 NE2 HIS A 19 -2.177 1.468 4.982 1.00 0.00 N ATOM 246 H HIS A 19 -2.834 5.908 4.878 1.00 0.00 H ATOM 247 HA HIS A 19 -0.501 5.612 6.606 1.00 0.00 H ATOM 248 HB2 HIS A 19 -0.894 5.002 3.679 1.00 0.00 H ATOM 249 HB3 HIS A 19 0.535 4.594 4.634 1.00 0.00 H ATOM 250 HD1 HIS A 19 0.139 2.835 6.730 1.00 0.00 H ATOM 251 HD2 HIS A 19 -2.651 3.143 3.598 1.00 0.00 H ATOM 252 HE1 HIS A 19 -0.995 0.543 6.542 1.00 0.00 H ATOM 253 N ALA A 20 -0.472 8.371 5.408 1.00 0.00 N ATOM 254 CA ALA A 20 0.275 9.592 5.097 1.00 0.00 C ATOM 255 C ALA A 20 1.752 9.507 5.508 1.00 0.00 C ATOM 256 O ALA A 20 2.063 9.269 6.673 1.00 0.00 O ATOM 257 CB ALA A 20 -0.379 10.800 5.774 1.00 0.00 C ATOM 258 H ALA A 20 -1.438 8.474 5.707 1.00 0.00 H ATOM 259 HA ALA A 20 0.216 9.747 4.020 1.00 0.00 H ATOM 260 HB1 ALA A 20 -0.452 10.630 6.849 1.00 0.00 H ATOM 261 HB2 ALA A 20 0.227 11.689 5.595 1.00 0.00 H ATOM 262 HB3 ALA A 20 -1.373 10.976 5.367 1.00 0.00 H ATOM 263 N GLY A 21 2.658 9.688 4.540 1.00 0.00 N ATOM 264 CA GLY A 21 4.097 9.673 4.770 1.00 0.00 C ATOM 265 C GLY A 21 4.603 8.325 5.287 1.00 0.00 C ATOM 266 O GLY A 21 5.573 8.279 6.037 1.00 0.00 O ATOM 267 H GLY A 21 2.339 9.863 3.601 1.00 0.00 H ATOM 268 HA2 GLY A 21 4.603 9.891 3.829 1.00 0.00 H ATOM 269 HA3 GLY A 21 4.355 10.452 5.489 1.00 0.00 H ATOM 270 N GLY A 22 3.960 7.223 4.890 1.00 0.00 N ATOM 271 CA GLY A 22 4.337 5.902 5.362 1.00 0.00 C ATOM 272 C GLY A 22 3.973 5.771 6.836 1.00 0.00 C ATOM 273 O GLY A 22 4.803 5.379 7.652 1.00 0.00 O ATOM 274 H GLY A 22 3.086 7.311 4.384 1.00 0.00 H ATOM 275 HA2 GLY A 22 3.801 5.146 4.790 1.00 0.00 H ATOM 276 HA3 GLY A 22 5.410 5.747 5.239 1.00 0.00 H ATOM 277 N GLY A 23 2.725 6.100 7.164 1.00 0.00 N ATOM 278 CA GLY A 23 2.197 6.056 8.519 1.00 0.00 C ATOM 279 C GLY A 23 1.034 5.074 8.618 1.00 0.00 C ATOM 280 O GLY A 23 0.961 4.093 7.872 1.00 0.00 O ATOM 281 H GLY A 23 2.121 6.434 6.422 1.00 0.00 H ATOM 282 HA2 GLY A 23 2.958 5.768 9.245 1.00 0.00 H ATOM 283 HA3 GLY A 23 1.848 7.059 8.767 1.00 0.00 H ATOM 284 N ASN A 24 0.098 5.369 9.520 1.00 0.00 N ATOM 285 CA ASN A 24 -1.174 4.682 9.663 1.00 0.00 C ATOM 286 C ASN A 24 -2.083 5.607 10.469 1.00 0.00 C ATOM 287 O ASN A 24 -1.616 6.620 10.991 1.00 0.00 O ATOM 288 CB ASN A 24 -0.993 3.360 10.411 1.00 0.00 C ATOM 289 CG ASN A 24 -2.059 2.330 10.033 1.00 0.00 C ATOM 290 OD1 ASN A 24 -3.233 2.487 10.366 1.00 0.00 O ATOM 291 ND2 ASN A 24 -1.678 1.266 9.336 1.00 0.00 N ATOM 292 H ASN A 24 0.171 6.220 10.067 1.00 0.00 H ATOM 293 HA ASN A 24 -1.596 4.491 8.675 1.00 0.00 H ATOM 294 HB2 ASN A 24 -0.002 2.960 10.216 1.00 0.00 H ATOM 295 HB3 ASN A 24 -1.060 3.571 11.476 1.00 0.00 H ATOM 296 HD21 ASN A 24 -0.682 1.130 9.175 1.00 0.00 H ATOM 297 HD22 ASN A 24 -2.340 0.549 9.086 1.00 0.00 H ATOM 298 N ASN A 25 -3.348 5.221 10.623 1.00 0.00 N ATOM 299 CA ASN A 25 -4.303 5.853 11.522 1.00 0.00 C ATOM 300 C ASN A 25 -4.774 4.802 12.527 1.00 0.00 C ATOM 301 O ASN A 25 -4.628 4.975 13.733 1.00 0.00 O ATOM 302 CB ASN A 25 -5.446 6.449 10.690 1.00 0.00 C ATOM 303 CG ASN A 25 -6.482 7.203 11.518 1.00 0.00 C ATOM 304 OD1 ASN A 25 -6.880 6.772 12.593 1.00 0.00 O ATOM 305 ND2 ASN A 25 -6.948 8.341 11.010 1.00 0.00 N ATOM 306 H ASN A 25 -3.611 4.336 10.206 1.00 0.00 H ATOM 307 HA ASN A 25 -3.832 6.665 12.079 1.00 0.00 H ATOM 308 HB2 ASN A 25 -4.999 7.158 9.993 1.00 0.00 H ATOM 309 HB3 ASN A 25 -5.951 5.667 10.122 1.00 0.00 H ATOM 310 HD21 ASN A 25 -6.625 8.668 10.109 1.00 0.00 H ATOM 311 HD22 ASN A 25 -7.630 8.861 11.539 1.00 0.00 H ATOM 312 N VAL A 26 -5.300 3.685 12.018 1.00 0.00 N ATOM 313 CA VAL A 26 -5.885 2.631 12.832 1.00 0.00 C ATOM 314 C VAL A 26 -4.815 1.925 13.675 1.00 0.00 C ATOM 315 O VAL A 26 -4.997 1.759 14.878 1.00 0.00 O ATOM 316 CB VAL A 26 -6.660 1.650 11.933 1.00 0.00 C ATOM 317 CG1 VAL A 26 -7.382 0.592 12.778 1.00 0.00 C ATOM 318 CG2 VAL A 26 -7.699 2.373 11.063 1.00 0.00 C ATOM 319 H VAL A 26 -5.298 3.561 11.017 1.00 0.00 H ATOM 320 HA VAL A 26 -6.598 3.095 13.516 1.00 0.00 H ATOM 321 HB VAL A 26 -5.959 1.146 11.271 1.00 0.00 H ATOM 322 HG11 VAL A 26 -8.068 1.075 13.474 1.00 0.00 H ATOM 323 HG12 VAL A 26 -7.948 -0.072 12.127 1.00 0.00 H ATOM 324 HG13 VAL A 26 -6.667 -0.008 13.341 1.00 0.00 H ATOM 325 HG21 VAL A 26 -8.389 2.934 11.694 1.00 0.00 H ATOM 326 HG22 VAL A 26 -7.217 3.058 10.365 1.00 0.00 H ATOM 327 HG23 VAL A 26 -8.263 1.643 10.481 1.00 0.00 H ATOM 328 N ILE A 27 -3.716 1.485 13.049 1.00 0.00 N ATOM 329 CA ILE A 27 -2.634 0.766 13.725 1.00 0.00 C ATOM 330 C ILE A 27 -1.350 1.589 13.595 1.00 0.00 C ATOM 331 O ILE A 27 -0.652 1.438 12.593 1.00 0.00 O ATOM 332 CB ILE A 27 -2.441 -0.639 13.119 1.00 0.00 C ATOM 333 CG1 ILE A 27 -3.718 -1.491 13.114 1.00 0.00 C ATOM 334 CG2 ILE A 27 -1.330 -1.397 13.860 1.00 0.00 C ATOM 335 CD1 ILE A 27 -4.204 -1.936 14.497 1.00 0.00 C ATOM 336 H ILE A 27 -3.605 1.702 12.064 1.00 0.00 H ATOM 337 HA ILE A 27 -2.865 0.616 14.777 1.00 0.00 H ATOM 338 HB ILE A 27 -2.148 -0.533 12.073 1.00 0.00 H ATOM 339 HG12 ILE A 27 -4.511 -0.936 12.621 1.00 0.00 H ATOM 340 HG13 ILE A 27 -3.509 -2.383 12.524 1.00 0.00 H ATOM 341 HG21 ILE A 27 -1.494 -1.364 14.937 1.00 0.00 H ATOM 342 HG22 ILE A 27 -1.319 -2.437 13.537 1.00 0.00 H ATOM 343 HG23 ILE A 27 -0.357 -0.957 13.648 1.00 0.00 H ATOM 344 HD11 ILE A 27 -4.389 -1.074 15.137 1.00 0.00 H ATOM 345 HD12 ILE A 27 -5.134 -2.493 14.381 1.00 0.00 H ATOM 346 HD13 ILE A 27 -3.471 -2.591 14.967 1.00 0.00 H ATOM 347 N PRO A 28 -1.015 2.459 14.561 1.00 0.00 N ATOM 348 CA PRO A 28 0.115 3.377 14.457 1.00 0.00 C ATOM 349 C PRO A 28 1.450 2.654 14.701 1.00 0.00 C ATOM 350 O PRO A 28 2.185 2.993 15.625 1.00 0.00 O ATOM 351 CB PRO A 28 -0.185 4.469 15.492 1.00 0.00 C ATOM 352 CG PRO A 28 -0.923 3.702 16.588 1.00 0.00 C ATOM 353 CD PRO A 28 -1.757 2.700 15.790 1.00 0.00 C ATOM 354 HA PRO A 28 0.154 3.839 13.471 1.00 0.00 H ATOM 355 HB2 PRO A 28 0.705 4.981 15.862 1.00 0.00 H ATOM 356 HB3 PRO A 28 -0.870 5.196 15.053 1.00 0.00 H ATOM 357 HG2 PRO A 28 -0.197 3.166 17.203 1.00 0.00 H ATOM 358 HG3 PRO A 28 -1.539 4.351 17.211 1.00 0.00 H ATOM 359 HD2 PRO A 28 -1.888 1.791 16.379 1.00 0.00 H ATOM 360 HD3 PRO A 28 -2.728 3.138 15.550 1.00 0.00 H ATOM 361 N ASP A 29 1.757 1.667 13.852 1.00 0.00 N ATOM 362 CA ASP A 29 2.970 0.850 13.895 1.00 0.00 C ATOM 363 C ASP A 29 3.185 0.192 12.524 1.00 0.00 C ATOM 364 O ASP A 29 4.265 0.244 11.940 1.00 0.00 O ATOM 365 CB ASP A 29 2.841 -0.201 15.003 1.00 0.00 C ATOM 366 CG ASP A 29 4.085 -1.072 15.067 1.00 0.00 C ATOM 367 OD1 ASP A 29 4.105 -2.074 14.324 1.00 0.00 O ATOM 368 OD2 ASP A 29 4.989 -0.721 15.855 1.00 0.00 O ATOM 369 H ASP A 29 1.080 1.470 13.122 1.00 0.00 H ATOM 370 HA ASP A 29 3.830 1.486 14.114 1.00 0.00 H ATOM 371 HB2 ASP A 29 2.721 0.297 15.966 1.00 0.00 H ATOM 372 HB3 ASP A 29 1.976 -0.839 14.827 1.00 0.00 H ATOM 373 N HIS A 30 2.106 -0.367 11.976 1.00 0.00 N ATOM 374 CA HIS A 30 2.009 -0.845 10.606 1.00 0.00 C ATOM 375 C HIS A 30 2.087 0.340 9.631 1.00 0.00 C ATOM 376 O HIS A 30 1.077 0.983 9.360 1.00 0.00 O ATOM 377 CB HIS A 30 0.662 -1.560 10.466 1.00 0.00 C ATOM 378 CG HIS A 30 0.581 -2.943 11.058 1.00 0.00 C ATOM 379 ND1 HIS A 30 -0.082 -3.994 10.477 1.00 0.00 N ATOM 380 CD2 HIS A 30 0.939 -3.335 12.320 1.00 0.00 C ATOM 381 CE1 HIS A 30 -0.198 -4.964 11.400 1.00 0.00 C ATOM 382 NE2 HIS A 30 0.415 -4.611 12.540 1.00 0.00 N ATOM 383 H HIS A 30 1.274 -0.416 12.542 1.00 0.00 H ATOM 384 HA HIS A 30 2.815 -1.548 10.393 1.00 0.00 H ATOM 385 HB2 HIS A 30 -0.115 -0.945 10.921 1.00 0.00 H ATOM 386 HB3 HIS A 30 0.409 -1.645 9.416 1.00 0.00 H ATOM 387 HD1 HIS A 30 -0.300 -4.060 9.486 1.00 0.00 H ATOM 388 HD2 HIS A 30 1.490 -2.752 13.036 1.00 0.00 H ATOM 389 HE1 HIS A 30 -0.663 -5.923 11.229 1.00 0.00 H ATOM 390 N THR A 31 3.280 0.656 9.125 1.00 0.00 N ATOM 391 CA THR A 31 3.526 1.802 8.253 1.00 0.00 C ATOM 392 C THR A 31 3.275 1.413 6.785 1.00 0.00 C ATOM 393 O THR A 31 2.260 0.793 6.480 1.00 0.00 O ATOM 394 CB THR A 31 4.974 2.242 8.476 1.00 0.00 C ATOM 395 OG1 THR A 31 5.794 1.129 8.202 1.00 0.00 O ATOM 396 CG2 THR A 31 5.307 2.763 9.860 1.00 0.00 C ATOM 397 H THR A 31 4.071 0.091 9.388 1.00 0.00 H ATOM 398 HA THR A 31 2.869 2.629 8.515 1.00 0.00 H ATOM 399 HB THR A 31 5.238 3.082 7.843 1.00 0.00 H ATOM 400 HG1 THR A 31 6.013 0.706 9.038 1.00 0.00 H ATOM 401 HG21 THR A 31 5.059 2.049 10.636 1.00 0.00 H ATOM 402 HG22 THR A 31 6.384 2.927 9.836 1.00 0.00 H ATOM 403 HG23 THR A 31 4.782 3.701 10.044 1.00 0.00 H ATOM 404 N LEU A 32 4.216 1.731 5.878 1.00 0.00 N ATOM 405 CA LEU A 32 4.413 1.050 4.615 1.00 0.00 C ATOM 406 C LEU A 32 5.897 1.009 4.272 1.00 0.00 C ATOM 407 O LEU A 32 6.266 1.184 3.116 1.00 0.00 O ATOM 408 CB LEU A 32 3.668 1.773 3.474 1.00 0.00 C ATOM 409 CG LEU A 32 2.165 2.008 3.640 1.00 0.00 C ATOM 410 CD1 LEU A 32 1.671 2.992 2.577 1.00 0.00 C ATOM 411 CD2 LEU A 32 1.405 0.696 3.472 1.00 0.00 C ATOM 412 H LEU A 32 5.010 2.277 6.152 1.00 0.00 H ATOM 413 HA LEU A 32 4.190 0.001 4.786 1.00 0.00 H ATOM 414 HB2 LEU A 32 4.129 2.756 3.396 1.00 0.00 H ATOM 415 HB3 LEU A 32 3.829 1.239 2.536 1.00 0.00 H ATOM 416 HG LEU A 32 1.962 2.462 4.604 1.00 0.00 H ATOM 417 HD11 LEU A 32 1.949 2.628 1.592 1.00 0.00 H ATOM 418 HD12 LEU A 32 0.586 3.082 2.629 1.00 0.00 H ATOM 419 HD13 LEU A 32 2.117 3.973 2.743 1.00 0.00 H ATOM 420 HD21 LEU A 32 1.778 -0.067 4.154 1.00 0.00 H ATOM 421 HD22 LEU A 32 0.354 0.880 3.680 1.00 0.00 H ATOM 422 HD23 LEU A 32 1.521 0.343 2.448 1.00 0.00 H ATOM 423 N GLN A 33 6.756 0.789 5.263 1.00 0.00 N ATOM 424 CA GLN A 33 8.175 0.482 5.028 1.00 0.00 C ATOM 425 C GLN A 33 8.460 -1.004 5.288 1.00 0.00 C ATOM 426 O GLN A 33 7.635 -1.710 5.871 1.00 0.00 O ATOM 427 CB GLN A 33 9.076 1.391 5.870 1.00 0.00 C ATOM 428 CG GLN A 33 8.469 1.495 7.261 1.00 0.00 C ATOM 429 CD GLN A 33 9.507 1.649 8.361 1.00 0.00 C ATOM 430 OE1 GLN A 33 9.602 0.814 9.251 1.00 0.00 O ATOM 431 NE2 GLN A 33 10.304 2.711 8.306 1.00 0.00 N ATOM 432 H GLN A 33 6.379 0.740 6.211 1.00 0.00 H ATOM 433 HA GLN A 33 8.436 0.665 3.990 1.00 0.00 H ATOM 434 HB2 GLN A 33 10.083 0.974 5.919 1.00 0.00 H ATOM 435 HB3 GLN A 33 9.130 2.386 5.432 1.00 0.00 H ATOM 436 HG2 GLN A 33 7.798 2.351 7.293 1.00 0.00 H ATOM 437 HG3 GLN A 33 7.887 0.584 7.400 1.00 0.00 H ATOM 438 HE21 GLN A 33 10.198 3.397 7.574 1.00 0.00 H ATOM 439 HE22 GLN A 33 10.984 2.836 9.040 1.00 0.00 H ATOM 440 N LYS A 34 9.629 -1.489 4.842 1.00 0.00 N ATOM 441 CA LYS A 34 9.874 -2.925 4.789 1.00 0.00 C ATOM 442 C LYS A 34 9.749 -3.611 6.151 1.00 0.00 C ATOM 443 O LYS A 34 9.132 -4.666 6.239 1.00 0.00 O ATOM 444 CB LYS A 34 11.095 -3.327 3.933 1.00 0.00 C ATOM 445 CG LYS A 34 12.495 -3.220 4.560 1.00 0.00 C ATOM 446 CD LYS A 34 13.480 -2.307 3.808 1.00 0.00 C ATOM 447 CE LYS A 34 12.953 -0.871 3.741 1.00 0.00 C ATOM 448 NZ LYS A 34 13.921 0.114 3.198 1.00 0.00 N ATOM 449 H LYS A 34 10.276 -0.866 4.389 1.00 0.00 H ATOM 450 HA LYS A 34 9.025 -3.302 4.233 1.00 0.00 H ATOM 451 HB2 LYS A 34 10.959 -4.386 3.708 1.00 0.00 H ATOM 452 HB3 LYS A 34 11.062 -2.808 2.977 1.00 0.00 H ATOM 453 HG2 LYS A 34 12.429 -2.940 5.609 1.00 0.00 H ATOM 454 HG3 LYS A 34 12.914 -4.229 4.516 1.00 0.00 H ATOM 455 HD2 LYS A 34 14.436 -2.338 4.335 1.00 0.00 H ATOM 456 HD3 LYS A 34 13.626 -2.701 2.799 1.00 0.00 H ATOM 457 HE2 LYS A 34 12.083 -0.875 3.090 1.00 0.00 H ATOM 458 HE3 LYS A 34 12.624 -0.563 4.735 1.00 0.00 H ATOM 459 HZ1 LYS A 34 14.293 -0.110 2.279 1.00 0.00 H ATOM 460 HZ2 LYS A 34 13.412 0.983 3.035 1.00 0.00 H ATOM 461 HZ3 LYS A 34 14.680 0.348 3.824 1.00 0.00 H ATOM 462 N ALA A 35 10.209 -2.959 7.225 1.00 0.00 N ATOM 463 CA ALA A 35 10.089 -3.502 8.576 1.00 0.00 C ATOM 464 C ALA A 35 8.636 -3.823 8.951 1.00 0.00 C ATOM 465 O ALA A 35 8.399 -4.713 9.765 1.00 0.00 O ATOM 466 CB ALA A 35 10.692 -2.526 9.588 1.00 0.00 C ATOM 467 H ALA A 35 10.616 -2.045 7.108 1.00 0.00 H ATOM 468 HA ALA A 35 10.662 -4.430 8.620 1.00 0.00 H ATOM 469 HB1 ALA A 35 11.726 -2.299 9.326 1.00 0.00 H ATOM 470 HB2 ALA A 35 10.111 -1.606 9.605 1.00 0.00 H ATOM 471 HB3 ALA A 35 10.668 -2.973 10.583 1.00 0.00 H ATOM 472 N ALA A 36 7.668 -3.104 8.372 1.00 0.00 N ATOM 473 CA ALA A 36 6.259 -3.392 8.554 1.00 0.00 C ATOM 474 C ALA A 36 5.861 -4.474 7.560 1.00 0.00 C ATOM 475 O ALA A 36 5.489 -5.574 7.963 1.00 0.00 O ATOM 476 CB ALA A 36 5.423 -2.120 8.371 1.00 0.00 C ATOM 477 H ALA A 36 7.912 -2.478 7.617 1.00 0.00 H ATOM 478 HA ALA A 36 6.086 -3.764 9.565 1.00 0.00 H ATOM 479 HB1 ALA A 36 5.637 -1.639 7.417 1.00 0.00 H ATOM 480 HB2 ALA A 36 4.361 -2.363 8.397 1.00 0.00 H ATOM 481 HB3 ALA A 36 5.650 -1.430 9.182 1.00 0.00 H ATOM 482 N ILE A 37 5.947 -4.162 6.261 1.00 0.00 N ATOM 483 CA ILE A 37 5.447 -5.033 5.202 1.00 0.00 C ATOM 484 C ILE A 37 5.980 -6.465 5.389 1.00 0.00 C ATOM 485 O ILE A 37 5.178 -7.392 5.446 1.00 0.00 O ATOM 486 CB ILE A 37 5.736 -4.427 3.813 1.00 0.00 C ATOM 487 CG1 ILE A 37 5.159 -3.004 3.696 1.00 0.00 C ATOM 488 CG2 ILE A 37 5.191 -5.325 2.690 1.00 0.00 C ATOM 489 CD1 ILE A 37 5.083 -2.454 2.269 1.00 0.00 C ATOM 490 H ILE A 37 6.365 -3.270 6.014 1.00 0.00 H ATOM 491 HA ILE A 37 4.356 -5.078 5.286 1.00 0.00 H ATOM 492 HB ILE A 37 6.808 -4.336 3.709 1.00 0.00 H ATOM 493 HG12 ILE A 37 4.160 -2.986 4.129 1.00 0.00 H ATOM 494 HG13 ILE A 37 5.805 -2.322 4.245 1.00 0.00 H ATOM 495 HG21 ILE A 37 5.502 -6.360 2.824 1.00 0.00 H ATOM 496 HG22 ILE A 37 4.104 -5.278 2.683 1.00 0.00 H ATOM 497 HG23 ILE A 37 5.566 -4.992 1.722 1.00 0.00 H ATOM 498 HD11 ILE A 37 6.056 -2.519 1.785 1.00 0.00 H ATOM 499 HD12 ILE A 37 4.349 -3.009 1.688 1.00 0.00 H ATOM 500 HD13 ILE A 37 4.776 -1.409 2.305 1.00 0.00 H ATOM 501 N GLU A 38 7.298 -6.657 5.546 1.00 0.00 N ATOM 502 CA GLU A 38 7.921 -7.971 5.722 1.00 0.00 C ATOM 503 C GLU A 38 7.146 -8.900 6.662 1.00 0.00 C ATOM 504 O GLU A 38 7.073 -10.096 6.387 1.00 0.00 O ATOM 505 CB GLU A 38 9.366 -7.833 6.226 1.00 0.00 C ATOM 506 CG GLU A 38 10.344 -7.423 5.121 1.00 0.00 C ATOM 507 CD GLU A 38 11.751 -7.262 5.677 1.00 0.00 C ATOM 508 OE1 GLU A 38 12.379 -8.312 5.928 1.00 0.00 O ATOM 509 OE2 GLU A 38 12.169 -6.095 5.840 1.00 0.00 O ATOM 510 H GLU A 38 7.911 -5.851 5.603 1.00 0.00 H ATOM 511 HA GLU A 38 7.948 -8.461 4.749 1.00 0.00 H ATOM 512 HB2 GLU A 38 9.415 -7.121 7.051 1.00 0.00 H ATOM 513 HB3 GLU A 38 9.705 -8.801 6.602 1.00 0.00 H ATOM 514 HG2 GLU A 38 10.381 -8.207 4.365 1.00 0.00 H ATOM 515 HG3 GLU A 38 10.036 -6.485 4.665 1.00 0.00 H ATOM 516 N GLN A 39 6.606 -8.370 7.766 1.00 0.00 N ATOM 517 CA GLN A 39 5.898 -9.186 8.749 1.00 0.00 C ATOM 518 C GLN A 39 4.382 -9.010 8.653 1.00 0.00 C ATOM 519 O GLN A 39 3.640 -9.989 8.667 1.00 0.00 O ATOM 520 CB GLN A 39 6.460 -8.945 10.158 1.00 0.00 C ATOM 521 CG GLN A 39 6.394 -7.489 10.633 1.00 0.00 C ATOM 522 CD GLN A 39 7.120 -7.306 11.961 1.00 0.00 C ATOM 523 OE1 GLN A 39 6.920 -8.073 12.898 1.00 0.00 O ATOM 524 NE2 GLN A 39 7.990 -6.306 12.054 1.00 0.00 N ATOM 525 H GLN A 39 6.620 -7.359 7.874 1.00 0.00 H ATOM 526 HA GLN A 39 6.082 -10.244 8.557 1.00 0.00 H ATOM 527 HB2 GLN A 39 5.917 -9.575 10.864 1.00 0.00 H ATOM 528 HB3 GLN A 39 7.506 -9.257 10.158 1.00 0.00 H ATOM 529 HG2 GLN A 39 6.847 -6.840 9.887 1.00 0.00 H ATOM 530 HG3 GLN A 39 5.358 -7.196 10.773 1.00 0.00 H ATOM 531 HE21 GLN A 39 8.140 -5.688 11.259 1.00 0.00 H ATOM 532 HE22 GLN A 39 8.481 -6.165 12.921 1.00 0.00 H ATOM 533 N PHE A 40 3.907 -7.767 8.579 1.00 0.00 N ATOM 534 CA PHE A 40 2.490 -7.465 8.688 1.00 0.00 C ATOM 535 C PHE A 40 1.733 -7.666 7.370 1.00 0.00 C ATOM 536 O PHE A 40 0.522 -7.872 7.398 1.00 0.00 O ATOM 537 CB PHE A 40 2.292 -6.063 9.271 1.00 0.00 C ATOM 538 CG PHE A 40 2.976 -5.788 10.601 1.00 0.00 C ATOM 539 CD1 PHE A 40 2.837 -6.677 11.685 1.00 0.00 C ATOM 540 CD2 PHE A 40 3.662 -4.574 10.787 1.00 0.00 C ATOM 541 CE1 PHE A 40 3.416 -6.369 12.929 1.00 0.00 C ATOM 542 CE2 PHE A 40 4.242 -4.267 12.029 1.00 0.00 C ATOM 543 CZ PHE A 40 4.118 -5.164 13.101 1.00 0.00 C ATOM 544 H PHE A 40 4.557 -6.992 8.549 1.00 0.00 H ATOM 545 HA PHE A 40 2.044 -8.166 9.395 1.00 0.00 H ATOM 546 HB2 PHE A 40 2.622 -5.307 8.561 1.00 0.00 H ATOM 547 HB3 PHE A 40 1.221 -5.940 9.397 1.00 0.00 H ATOM 548 HD1 PHE A 40 2.240 -7.571 11.593 1.00 0.00 H ATOM 549 HD2 PHE A 40 3.668 -3.831 10.007 1.00 0.00 H ATOM 550 HE1 PHE A 40 3.269 -7.028 13.773 1.00 0.00 H ATOM 551 HE2 PHE A 40 4.697 -3.300 12.199 1.00 0.00 H ATOM 552 HZ PHE A 40 4.485 -4.873 14.077 1.00 0.00 H ATOM 553 N LEU A 41 2.409 -7.642 6.217 1.00 0.00 N ATOM 554 CA LEU A 41 1.797 -8.038 4.952 1.00 0.00 C ATOM 555 C LEU A 41 1.929 -9.561 4.860 1.00 0.00 C ATOM 556 O LEU A 41 3.016 -10.071 4.598 1.00 0.00 O ATOM 557 CB LEU A 41 2.500 -7.290 3.804 1.00 0.00 C ATOM 558 CG LEU A 41 2.067 -7.510 2.338 1.00 0.00 C ATOM 559 CD1 LEU A 41 1.340 -8.819 2.036 1.00 0.00 C ATOM 560 CD2 LEU A 41 1.220 -6.346 1.833 1.00 0.00 C ATOM 561 H LEU A 41 3.422 -7.546 6.230 1.00 0.00 H ATOM 562 HA LEU A 41 0.744 -7.754 4.930 1.00 0.00 H ATOM 563 HB2 LEU A 41 2.438 -6.231 4.028 1.00 0.00 H ATOM 564 HB3 LEU A 41 3.549 -7.520 3.853 1.00 0.00 H ATOM 565 HG LEU A 41 2.972 -7.508 1.728 1.00 0.00 H ATOM 566 HD11 LEU A 41 0.469 -8.937 2.678 1.00 0.00 H ATOM 567 HD12 LEU A 41 0.998 -8.822 1.002 1.00 0.00 H ATOM 568 HD13 LEU A 41 2.033 -9.649 2.166 1.00 0.00 H ATOM 569 HD21 LEU A 41 0.336 -6.234 2.447 1.00 0.00 H ATOM 570 HD22 LEU A 41 1.813 -5.436 1.869 1.00 0.00 H ATOM 571 HD23 LEU A 41 0.918 -6.529 0.804 1.00 0.00 H ATOM 572 N ASP A 42 0.825 -10.287 5.063 1.00 0.00 N ATOM 573 CA ASP A 42 0.776 -11.732 4.865 1.00 0.00 C ATOM 574 C ASP A 42 1.169 -12.063 3.418 1.00 0.00 C ATOM 575 O ASP A 42 0.474 -11.658 2.486 1.00 0.00 O ATOM 576 CB ASP A 42 -0.626 -12.252 5.201 1.00 0.00 C ATOM 577 CG ASP A 42 -0.651 -13.774 5.206 1.00 0.00 C ATOM 578 OD1 ASP A 42 -0.430 -14.355 4.124 1.00 0.00 O ATOM 579 OD2 ASP A 42 -0.878 -14.327 6.303 1.00 0.00 O ATOM 580 H ASP A 42 -0.033 -9.816 5.298 1.00 0.00 H ATOM 581 HA ASP A 42 1.482 -12.197 5.556 1.00 0.00 H ATOM 582 HB2 ASP A 42 -0.920 -11.902 6.190 1.00 0.00 H ATOM 583 HB3 ASP A 42 -1.346 -11.895 4.465 1.00 0.00 H ATOM 584 N GLY A 43 2.326 -12.707 3.234 1.00 0.00 N ATOM 585 CA GLY A 43 2.962 -12.906 1.935 1.00 0.00 C ATOM 586 C GLY A 43 4.399 -12.377 1.935 1.00 0.00 C ATOM 587 O GLY A 43 5.239 -12.863 1.181 1.00 0.00 O ATOM 588 H GLY A 43 2.829 -13.011 4.054 1.00 0.00 H ATOM 589 HA2 GLY A 43 2.977 -13.973 1.715 1.00 0.00 H ATOM 590 HA3 GLY A 43 2.415 -12.398 1.141 1.00 0.00 H ATOM 591 N GLY A 44 4.695 -11.397 2.792 1.00 0.00 N ATOM 592 CA GLY A 44 6.020 -10.816 2.925 1.00 0.00 C ATOM 593 C GLY A 44 6.304 -9.793 1.825 1.00 0.00 C ATOM 594 O GLY A 44 5.495 -9.584 0.918 1.00 0.00 O ATOM 595 H GLY A 44 3.962 -11.015 3.380 1.00 0.00 H ATOM 596 HA2 GLY A 44 6.066 -10.311 3.890 1.00 0.00 H ATOM 597 HA3 GLY A 44 6.779 -11.599 2.904 1.00 0.00 H ATOM 598 N PHE A 45 7.470 -9.145 1.914 1.00 0.00 N ATOM 599 CA PHE A 45 7.843 -7.997 1.095 1.00 0.00 C ATOM 600 C PHE A 45 7.939 -8.342 -0.393 1.00 0.00 C ATOM 601 O PHE A 45 9.027 -8.623 -0.891 1.00 0.00 O ATOM 602 CB PHE A 45 9.155 -7.390 1.618 1.00 0.00 C ATOM 603 CG PHE A 45 9.372 -5.963 1.169 1.00 0.00 C ATOM 604 CD1 PHE A 45 10.001 -5.651 -0.050 1.00 0.00 C ATOM 605 CD2 PHE A 45 8.858 -4.936 1.968 1.00 0.00 C ATOM 606 CE1 PHE A 45 10.118 -4.306 -0.449 1.00 0.00 C ATOM 607 CE2 PHE A 45 8.857 -3.611 1.510 1.00 0.00 C ATOM 608 CZ PHE A 45 9.517 -3.291 0.316 1.00 0.00 C ATOM 609 H PHE A 45 8.096 -9.412 2.660 1.00 0.00 H ATOM 610 HA PHE A 45 7.063 -7.244 1.218 1.00 0.00 H ATOM 611 HB2 PHE A 45 9.096 -7.381 2.703 1.00 0.00 H ATOM 612 HB3 PHE A 45 10.027 -7.989 1.355 1.00 0.00 H ATOM 613 HD1 PHE A 45 10.400 -6.436 -0.678 1.00 0.00 H ATOM 614 HD2 PHE A 45 8.514 -5.187 2.956 1.00 0.00 H ATOM 615 HE1 PHE A 45 10.642 -4.058 -1.360 1.00 0.00 H ATOM 616 HE2 PHE A 45 8.404 -2.829 2.098 1.00 0.00 H ATOM 617 HZ PHE A 45 9.571 -2.261 0.014 1.00 0.00 H ATOM 618 N ASN A 46 6.810 -8.313 -1.108 1.00 0.00 N ATOM 619 CA ASN A 46 6.757 -8.578 -2.540 1.00 0.00 C ATOM 620 C ASN A 46 5.724 -7.670 -3.183 1.00 0.00 C ATOM 621 O ASN A 46 4.704 -7.341 -2.574 1.00 0.00 O ATOM 622 CB ASN A 46 6.374 -10.026 -2.855 1.00 0.00 C ATOM 623 CG ASN A 46 7.270 -11.048 -2.179 1.00 0.00 C ATOM 624 OD1 ASN A 46 8.161 -11.636 -2.782 1.00 0.00 O ATOM 625 ND2 ASN A 46 6.998 -11.271 -0.902 1.00 0.00 N ATOM 626 H ASN A 46 5.933 -8.157 -0.623 1.00 0.00 H ATOM 627 HA ASN A 46 7.735 -8.383 -2.982 1.00 0.00 H ATOM 628 HB2 ASN A 46 5.346 -10.207 -2.546 1.00 0.00 H ATOM 629 HB3 ASN A 46 6.430 -10.161 -3.932 1.00 0.00 H ATOM 630 HD21 ASN A 46 6.268 -10.708 -0.475 1.00 0.00 H ATOM 631 HD22 ASN A 46 7.515 -11.961 -0.384 1.00 0.00 H ATOM 632 N ILE A 47 5.968 -7.315 -4.441 1.00 0.00 N ATOM 633 CA ILE A 47 5.020 -6.529 -5.219 1.00 0.00 C ATOM 634 C ILE A 47 3.765 -7.365 -5.439 1.00 0.00 C ATOM 635 O ILE A 47 2.656 -6.889 -5.231 1.00 0.00 O ATOM 636 CB ILE A 47 5.630 -5.989 -6.533 1.00 0.00 C ATOM 637 CG1 ILE A 47 4.595 -5.222 -7.381 1.00 0.00 C ATOM 638 CG2 ILE A 47 6.228 -7.084 -7.422 1.00 0.00 C ATOM 639 CD1 ILE A 47 4.341 -3.815 -6.836 1.00 0.00 C ATOM 640 H ILE A 47 6.732 -7.797 -4.893 1.00 0.00 H ATOM 641 HA ILE A 47 4.743 -5.676 -4.604 1.00 0.00 H ATOM 642 HB ILE A 47 6.444 -5.310 -6.276 1.00 0.00 H ATOM 643 HG12 ILE A 47 4.976 -5.112 -8.396 1.00 0.00 H ATOM 644 HG13 ILE A 47 3.651 -5.772 -7.449 1.00 0.00 H ATOM 645 HG21 ILE A 47 6.989 -7.643 -6.884 1.00 0.00 H ATOM 646 HG22 ILE A 47 5.439 -7.751 -7.765 1.00 0.00 H ATOM 647 HG23 ILE A 47 6.701 -6.631 -8.293 1.00 0.00 H ATOM 648 HD11 ILE A 47 3.970 -3.866 -5.816 1.00 0.00 H ATOM 649 HD12 ILE A 47 5.267 -3.239 -6.853 1.00 0.00 H ATOM 650 HD13 ILE A 47 3.602 -3.312 -7.461 1.00 0.00 H ATOM 651 N GLU A 48 3.930 -8.623 -5.830 1.00 0.00 N ATOM 652 CA GLU A 48 2.836 -9.525 -6.125 1.00 0.00 C ATOM 653 C GLU A 48 1.930 -9.663 -4.902 1.00 0.00 C ATOM 654 O GLU A 48 0.709 -9.669 -5.030 1.00 0.00 O ATOM 655 CB GLU A 48 3.405 -10.870 -6.592 1.00 0.00 C ATOM 656 CG GLU A 48 4.424 -10.678 -7.731 1.00 0.00 C ATOM 657 CD GLU A 48 5.874 -10.731 -7.253 1.00 0.00 C ATOM 658 OE1 GLU A 48 6.192 -9.947 -6.330 1.00 0.00 O ATOM 659 OE2 GLU A 48 6.632 -11.544 -7.817 1.00 0.00 O ATOM 660 H GLU A 48 4.874 -8.979 -5.972 1.00 0.00 H ATOM 661 HA GLU A 48 2.251 -9.100 -6.942 1.00 0.00 H ATOM 662 HB2 GLU A 48 3.884 -11.393 -5.763 1.00 0.00 H ATOM 663 HB3 GLU A 48 2.575 -11.481 -6.952 1.00 0.00 H ATOM 664 HG2 GLU A 48 4.287 -11.469 -8.461 1.00 0.00 H ATOM 665 HG3 GLU A 48 4.247 -9.738 -8.249 1.00 0.00 H ATOM 666 N ALA A 49 2.531 -9.725 -3.711 1.00 0.00 N ATOM 667 CA ALA A 49 1.790 -9.776 -2.462 1.00 0.00 C ATOM 668 C ALA A 49 0.979 -8.493 -2.271 1.00 0.00 C ATOM 669 O ALA A 49 -0.212 -8.558 -2.010 1.00 0.00 O ATOM 670 CB ALA A 49 2.743 -10.034 -1.292 1.00 0.00 C ATOM 671 H ALA A 49 3.536 -9.653 -3.680 1.00 0.00 H ATOM 672 HA ALA A 49 1.095 -10.616 -2.512 1.00 0.00 H ATOM 673 HB1 ALA A 49 3.331 -10.932 -1.483 1.00 0.00 H ATOM 674 HB2 ALA A 49 3.412 -9.186 -1.143 1.00 0.00 H ATOM 675 HB3 ALA A 49 2.164 -10.195 -0.385 1.00 0.00 H ATOM 676 N ILE A 50 1.606 -7.324 -2.418 1.00 0.00 N ATOM 677 CA ILE A 50 0.976 -6.020 -2.278 1.00 0.00 C ATOM 678 C ILE A 50 -0.179 -5.903 -3.271 1.00 0.00 C ATOM 679 O ILE A 50 -1.285 -5.565 -2.864 1.00 0.00 O ATOM 680 CB ILE A 50 2.066 -4.920 -2.332 1.00 0.00 C ATOM 681 CG1 ILE A 50 1.952 -3.980 -1.124 1.00 0.00 C ATOM 682 CG2 ILE A 50 2.037 -4.078 -3.597 1.00 0.00 C ATOM 683 CD1 ILE A 50 3.047 -2.906 -1.085 1.00 0.00 C ATOM 684 H ILE A 50 2.556 -7.329 -2.743 1.00 0.00 H ATOM 685 HA ILE A 50 0.485 -5.944 -1.308 1.00 0.00 H ATOM 686 HB ILE A 50 3.049 -5.390 -2.276 1.00 0.00 H ATOM 687 HG12 ILE A 50 0.972 -3.501 -1.130 1.00 0.00 H ATOM 688 HG13 ILE A 50 2.054 -4.585 -0.228 1.00 0.00 H ATOM 689 HG21 ILE A 50 2.045 -4.689 -4.492 1.00 0.00 H ATOM 690 HG22 ILE A 50 1.138 -3.464 -3.577 1.00 0.00 H ATOM 691 HG23 ILE A 50 2.924 -3.448 -3.632 1.00 0.00 H ATOM 692 HD11 ILE A 50 4.028 -3.368 -1.194 1.00 0.00 H ATOM 693 HD12 ILE A 50 2.898 -2.167 -1.871 1.00 0.00 H ATOM 694 HD13 ILE A 50 3.013 -2.383 -0.132 1.00 0.00 H ATOM 695 N VAL A 51 0.033 -6.257 -4.541 1.00 0.00 N ATOM 696 CA VAL A 51 -1.034 -6.347 -5.529 1.00 0.00 C ATOM 697 C VAL A 51 -2.155 -7.236 -4.972 1.00 0.00 C ATOM 698 O VAL A 51 -3.283 -6.789 -4.784 1.00 0.00 O ATOM 699 CB VAL A 51 -0.459 -6.849 -6.868 1.00 0.00 C ATOM 700 CG1 VAL A 51 -1.553 -7.295 -7.847 1.00 0.00 C ATOM 701 CG2 VAL A 51 0.370 -5.735 -7.525 1.00 0.00 C ATOM 702 H VAL A 51 0.968 -6.542 -4.813 1.00 0.00 H ATOM 703 HA VAL A 51 -1.423 -5.343 -5.695 1.00 0.00 H ATOM 704 HB VAL A 51 0.192 -7.703 -6.687 1.00 0.00 H ATOM 705 HG11 VAL A 51 -2.290 -6.505 -7.973 1.00 0.00 H ATOM 706 HG12 VAL A 51 -1.109 -7.526 -8.816 1.00 0.00 H ATOM 707 HG13 VAL A 51 -2.053 -8.192 -7.481 1.00 0.00 H ATOM 708 HG21 VAL A 51 1.154 -5.393 -6.851 1.00 0.00 H ATOM 709 HG22 VAL A 51 0.835 -6.111 -8.437 1.00 0.00 H ATOM 710 HG23 VAL A 51 -0.270 -4.889 -7.777 1.00 0.00 H ATOM 711 N TYR A 52 -1.823 -8.482 -4.632 1.00 0.00 N ATOM 712 CA TYR A 52 -2.777 -9.489 -4.186 1.00 0.00 C ATOM 713 C TYR A 52 -3.238 -9.288 -2.730 1.00 0.00 C ATOM 714 O TYR A 52 -3.865 -10.184 -2.168 1.00 0.00 O ATOM 715 CB TYR A 52 -2.127 -10.868 -4.413 1.00 0.00 C ATOM 716 CG TYR A 52 -2.994 -12.097 -4.194 1.00 0.00 C ATOM 717 CD1 TYR A 52 -4.243 -12.211 -4.830 1.00 0.00 C ATOM 718 CD2 TYR A 52 -2.499 -13.181 -3.443 1.00 0.00 C ATOM 719 CE1 TYR A 52 -5.018 -13.373 -4.674 1.00 0.00 C ATOM 720 CE2 TYR A 52 -3.258 -14.358 -3.317 1.00 0.00 C ATOM 721 CZ TYR A 52 -4.522 -14.449 -3.920 1.00 0.00 C ATOM 722 OH TYR A 52 -5.246 -15.598 -3.808 1.00 0.00 O ATOM 723 H TYR A 52 -0.861 -8.778 -4.753 1.00 0.00 H ATOM 724 HA TYR A 52 -3.657 -9.415 -4.824 1.00 0.00 H ATOM 725 HB2 TYR A 52 -1.777 -10.911 -5.445 1.00 0.00 H ATOM 726 HB3 TYR A 52 -1.255 -10.931 -3.761 1.00 0.00 H ATOM 727 HD1 TYR A 52 -4.599 -11.425 -5.471 1.00 0.00 H ATOM 728 HD2 TYR A 52 -1.521 -13.127 -2.988 1.00 0.00 H ATOM 729 HE1 TYR A 52 -5.973 -13.441 -5.175 1.00 0.00 H ATOM 730 HE2 TYR A 52 -2.864 -15.197 -2.763 1.00 0.00 H ATOM 731 HH TYR A 52 -6.091 -15.547 -4.257 1.00 0.00 H ATOM 732 N GLN A 53 -2.979 -8.134 -2.100 1.00 0.00 N ATOM 733 CA GLN A 53 -3.389 -7.829 -0.746 1.00 0.00 C ATOM 734 C GLN A 53 -4.196 -6.549 -0.831 1.00 0.00 C ATOM 735 O GLN A 53 -5.325 -6.541 -0.375 1.00 0.00 O ATOM 736 CB GLN A 53 -2.186 -7.737 0.209 1.00 0.00 C ATOM 737 CG GLN A 53 -2.605 -7.914 1.675 1.00 0.00 C ATOM 738 CD GLN A 53 -3.047 -6.611 2.332 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.172 -6.153 2.159 1.00 0.00 O ATOM 740 NE2 GLN A 53 -2.182 -6.018 3.146 1.00 0.00 N ATOM 741 H GLN A 53 -2.559 -7.363 -2.591 1.00 0.00 H ATOM 742 HA GLN A 53 -4.049 -8.614 -0.380 1.00 0.00 H ATOM 743 HB2 GLN A 53 -1.506 -8.560 -0.004 1.00 0.00 H ATOM 744 HB3 GLN A 53 -1.639 -6.805 0.067 1.00 0.00 H ATOM 745 HG2 GLN A 53 -3.405 -8.651 1.751 1.00 0.00 H ATOM 746 HG3 GLN A 53 -1.753 -8.313 2.225 1.00 0.00 H ATOM 747 HE21 GLN A 53 -1.303 -6.459 3.359 1.00 0.00 H ATOM 748 HE22 GLN A 53 -2.455 -5.154 3.584 1.00 0.00 H ATOM 749 N ILE A 54 -3.685 -5.498 -1.476 1.00 0.00 N ATOM 750 CA ILE A 54 -4.414 -4.258 -1.690 1.00 0.00 C ATOM 751 C ILE A 54 -5.834 -4.542 -2.201 1.00 0.00 C ATOM 752 O ILE A 54 -6.813 -4.014 -1.673 1.00 0.00 O ATOM 753 CB ILE A 54 -3.565 -3.314 -2.584 1.00 0.00 C ATOM 754 CG1 ILE A 54 -3.695 -1.814 -2.339 1.00 0.00 C ATOM 755 CG2 ILE A 54 -3.824 -3.433 -4.088 1.00 0.00 C ATOM 756 CD1 ILE A 54 -3.848 -1.425 -0.886 1.00 0.00 C ATOM 757 H ILE A 54 -2.747 -5.546 -1.850 1.00 0.00 H ATOM 758 HA ILE A 54 -4.504 -3.851 -0.687 1.00 0.00 H ATOM 759 HB ILE A 54 -2.516 -3.527 -2.386 1.00 0.00 H ATOM 760 HG12 ILE A 54 -2.766 -1.384 -2.715 1.00 0.00 H ATOM 761 HG13 ILE A 54 -4.544 -1.410 -2.886 1.00 0.00 H ATOM 762 HG21 ILE A 54 -3.651 -4.444 -4.434 1.00 0.00 H ATOM 763 HG22 ILE A 54 -4.852 -3.133 -4.294 1.00 0.00 H ATOM 764 HG23 ILE A 54 -3.166 -2.751 -4.631 1.00 0.00 H ATOM 765 HD11 ILE A 54 -3.025 -1.828 -0.296 1.00 0.00 H ATOM 766 HD12 ILE A 54 -3.862 -0.348 -0.830 1.00 0.00 H ATOM 767 HD13 ILE A 54 -4.810 -1.774 -0.531 1.00 0.00 H ATOM 768 N GLU A 55 -5.970 -5.438 -3.181 1.00 0.00 N ATOM 769 CA GLU A 55 -7.285 -5.806 -3.674 1.00 0.00 C ATOM 770 C GLU A 55 -8.102 -6.592 -2.639 1.00 0.00 C ATOM 771 O GLU A 55 -9.313 -6.415 -2.567 1.00 0.00 O ATOM 772 CB GLU A 55 -7.161 -6.518 -5.024 1.00 0.00 C ATOM 773 CG GLU A 55 -6.473 -7.889 -4.968 1.00 0.00 C ATOM 774 CD GLU A 55 -6.181 -8.430 -6.365 1.00 0.00 C ATOM 775 OE1 GLU A 55 -6.356 -7.667 -7.338 1.00 0.00 O ATOM 776 OE2 GLU A 55 -5.786 -9.612 -6.433 1.00 0.00 O ATOM 777 H GLU A 55 -5.154 -5.869 -3.601 1.00 0.00 H ATOM 778 HA GLU A 55 -7.828 -4.882 -3.877 1.00 0.00 H ATOM 779 HB2 GLU A 55 -8.152 -6.654 -5.459 1.00 0.00 H ATOM 780 HB3 GLU A 55 -6.593 -5.872 -5.693 1.00 0.00 H ATOM 781 HG2 GLU A 55 -5.534 -7.825 -4.427 1.00 0.00 H ATOM 782 HG3 GLU A 55 -7.121 -8.603 -4.461 1.00 0.00 H ATOM 783 N ASN A 56 -7.471 -7.446 -1.824 1.00 0.00 N ATOM 784 CA ASN A 56 -8.188 -8.382 -0.962 1.00 0.00 C ATOM 785 C ASN A 56 -8.612 -7.693 0.331 1.00 0.00 C ATOM 786 O ASN A 56 -9.706 -7.942 0.830 1.00 0.00 O ATOM 787 CB ASN A 56 -7.344 -9.638 -0.686 1.00 0.00 C ATOM 788 CG ASN A 56 -7.539 -10.697 -1.771 1.00 0.00 C ATOM 789 OD1 ASN A 56 -8.614 -11.276 -1.886 1.00 0.00 O ATOM 790 ND2 ASN A 56 -6.515 -10.982 -2.569 1.00 0.00 N ATOM 791 H ASN A 56 -6.477 -7.331 -1.666 1.00 0.00 H ATOM 792 HA ASN A 56 -9.106 -8.701 -1.461 1.00 0.00 H ATOM 793 HB2 ASN A 56 -6.292 -9.377 -0.579 1.00 0.00 H ATOM 794 HB3 ASN A 56 -7.678 -10.086 0.250 1.00 0.00 H ATOM 795 HD21 ASN A 56 -5.605 -10.551 -2.434 1.00 0.00 H ATOM 796 HD22 ASN A 56 -6.649 -11.639 -3.321 1.00 0.00 H ATOM 797 N GLY A 57 -7.754 -6.825 0.871 1.00 0.00 N ATOM 798 CA GLY A 57 -8.091 -6.020 2.042 1.00 0.00 C ATOM 799 C GLY A 57 -7.820 -6.791 3.333 1.00 0.00 C ATOM 800 O GLY A 57 -8.702 -7.432 3.899 1.00 0.00 O ATOM 801 H GLY A 57 -6.847 -6.709 0.414 1.00 0.00 H ATOM 802 HA2 GLY A 57 -7.497 -5.107 2.025 1.00 0.00 H ATOM 803 HA3 GLY A 57 -9.144 -5.737 2.021 1.00 0.00 H ATOM 804 N LYS A 58 -6.573 -6.738 3.796 1.00 0.00 N ATOM 805 CA LYS A 58 -6.121 -7.491 4.966 1.00 0.00 C ATOM 806 C LYS A 58 -6.452 -6.754 6.265 1.00 0.00 C ATOM 807 O LYS A 58 -5.924 -5.677 6.519 1.00 0.00 O ATOM 808 CB LYS A 58 -4.623 -7.756 4.829 1.00 0.00 C ATOM 809 CG LYS A 58 -3.968 -8.491 6.006 1.00 0.00 C ATOM 810 CD LYS A 58 -3.268 -7.480 6.927 1.00 0.00 C ATOM 811 CE LYS A 58 -2.373 -8.149 7.968 1.00 0.00 C ATOM 812 NZ LYS A 58 -3.125 -8.705 9.105 1.00 0.00 N ATOM 813 H LYS A 58 -5.919 -6.157 3.276 1.00 0.00 H ATOM 814 HA LYS A 58 -6.587 -8.475 4.994 1.00 0.00 H ATOM 815 HB2 LYS A 58 -4.486 -8.364 3.934 1.00 0.00 H ATOM 816 HB3 LYS A 58 -4.134 -6.794 4.697 1.00 0.00 H ATOM 817 HG2 LYS A 58 -4.703 -9.093 6.542 1.00 0.00 H ATOM 818 HG3 LYS A 58 -3.211 -9.160 5.590 1.00 0.00 H ATOM 819 HD2 LYS A 58 -2.621 -6.843 6.319 1.00 0.00 H ATOM 820 HD3 LYS A 58 -3.989 -6.838 7.426 1.00 0.00 H ATOM 821 HE2 LYS A 58 -1.787 -8.930 7.483 1.00 0.00 H ATOM 822 HE3 LYS A 58 -1.707 -7.381 8.363 1.00 0.00 H ATOM 823 HZ1 LYS A 58 -3.641 -7.946 9.548 1.00 0.00 H ATOM 824 HZ2 LYS A 58 -3.770 -9.417 8.803 1.00 0.00 H ATOM 825 HZ3 LYS A 58 -2.483 -9.084 9.785 1.00 0.00 H ATOM 826 N GLY A 59 -7.251 -7.370 7.137 1.00 0.00 N ATOM 827 CA GLY A 59 -7.504 -6.867 8.470 1.00 0.00 C ATOM 828 C GLY A 59 -8.330 -5.593 8.408 1.00 0.00 C ATOM 829 O GLY A 59 -9.280 -5.484 7.636 1.00 0.00 O ATOM 830 H GLY A 59 -7.751 -8.194 6.864 1.00 0.00 H ATOM 831 HA2 GLY A 59 -8.048 -7.616 9.046 1.00 0.00 H ATOM 832 HA3 GLY A 59 -6.554 -6.664 8.964 1.00 0.00 H ATOM 833 N ALA A 60 -7.951 -4.615 9.225 1.00 0.00 N ATOM 834 CA ALA A 60 -8.660 -3.348 9.355 1.00 0.00 C ATOM 835 C ALA A 60 -8.313 -2.409 8.197 1.00 0.00 C ATOM 836 O ALA A 60 -7.937 -1.258 8.419 1.00 0.00 O ATOM 837 CB ALA A 60 -8.339 -2.720 10.716 1.00 0.00 C ATOM 838 H ALA A 60 -7.106 -4.783 9.748 1.00 0.00 H ATOM 839 HA ALA A 60 -9.735 -3.534 9.324 1.00 0.00 H ATOM 840 HB1 ALA A 60 -8.606 -3.410 11.516 1.00 0.00 H ATOM 841 HB2 ALA A 60 -7.277 -2.485 10.783 1.00 0.00 H ATOM 842 HB3 ALA A 60 -8.920 -1.804 10.834 1.00 0.00 H ATOM 843 N MET A 61 -8.432 -2.899 6.962 1.00 0.00 N ATOM 844 CA MET A 61 -8.034 -2.186 5.769 1.00 0.00 C ATOM 845 C MET A 61 -9.102 -2.407 4.698 1.00 0.00 C ATOM 846 O MET A 61 -9.472 -3.553 4.450 1.00 0.00 O ATOM 847 CB MET A 61 -6.682 -2.745 5.346 1.00 0.00 C ATOM 848 CG MET A 61 -6.217 -2.316 3.959 1.00 0.00 C ATOM 849 SD MET A 61 -4.429 -2.121 3.858 1.00 0.00 S ATOM 850 CE MET A 61 -4.127 -2.669 2.176 1.00 0.00 C ATOM 851 H MET A 61 -8.739 -3.860 6.819 1.00 0.00 H ATOM 852 HA MET A 61 -7.902 -1.134 6.006 1.00 0.00 H ATOM 853 HB2 MET A 61 -5.938 -2.477 6.096 1.00 0.00 H ATOM 854 HB3 MET A 61 -6.764 -3.827 5.310 1.00 0.00 H ATOM 855 HG2 MET A 61 -6.499 -3.136 3.290 1.00 0.00 H ATOM 856 HG3 MET A 61 -6.687 -1.395 3.619 1.00 0.00 H ATOM 857 HE1 MET A 61 -4.646 -3.607 1.989 1.00 0.00 H ATOM 858 HE2 MET A 61 -4.524 -1.888 1.542 1.00 0.00 H ATOM 859 HE3 MET A 61 -3.063 -2.812 2.003 1.00 0.00 H ATOM 860 N PRO A 62 -9.610 -1.337 4.069 1.00 0.00 N ATOM 861 CA PRO A 62 -10.587 -1.453 3.002 1.00 0.00 C ATOM 862 C PRO A 62 -9.997 -2.268 1.846 1.00 0.00 C ATOM 863 O PRO A 62 -8.818 -2.122 1.529 1.00 0.00 O ATOM 864 CB PRO A 62 -10.950 -0.012 2.608 1.00 0.00 C ATOM 865 CG PRO A 62 -9.796 0.843 3.143 1.00 0.00 C ATOM 866 CD PRO A 62 -9.272 0.051 4.330 1.00 0.00 C ATOM 867 HA PRO A 62 -11.478 -1.957 3.381 1.00 0.00 H ATOM 868 HB2 PRO A 62 -11.079 0.108 1.530 1.00 0.00 H ATOM 869 HB3 PRO A 62 -11.868 0.275 3.123 1.00 0.00 H ATOM 870 HG2 PRO A 62 -9.006 0.902 2.398 1.00 0.00 H ATOM 871 HG3 PRO A 62 -10.092 1.845 3.460 1.00 0.00 H ATOM 872 HD2 PRO A 62 -8.201 0.234 4.409 1.00 0.00 H ATOM 873 HD3 PRO A 62 -9.784 0.362 5.240 1.00 0.00 H ATOM 874 N ALA A 63 -10.812 -3.136 1.240 1.00 0.00 N ATOM 875 CA ALA A 63 -10.458 -3.882 0.039 1.00 0.00 C ATOM 876 C ALA A 63 -10.582 -2.949 -1.163 1.00 0.00 C ATOM 877 O ALA A 63 -11.526 -2.160 -1.228 1.00 0.00 O ATOM 878 CB ALA A 63 -11.397 -5.083 -0.105 1.00 0.00 C ATOM 879 H ALA A 63 -11.769 -3.203 1.549 1.00 0.00 H ATOM 880 HA ALA A 63 -9.433 -4.245 0.118 1.00 0.00 H ATOM 881 HB1 ALA A 63 -11.314 -5.730 0.769 1.00 0.00 H ATOM 882 HB2 ALA A 63 -12.429 -4.744 -0.204 1.00 0.00 H ATOM 883 HB3 ALA A 63 -11.134 -5.656 -0.993 1.00 0.00 H ATOM 884 N TRP A 64 -9.615 -2.992 -2.083 1.00 0.00 N ATOM 885 CA TRP A 64 -9.536 -2.041 -3.186 1.00 0.00 C ATOM 886 C TRP A 64 -9.858 -2.671 -4.550 1.00 0.00 C ATOM 887 O TRP A 64 -9.766 -1.996 -5.578 1.00 0.00 O ATOM 888 CB TRP A 64 -8.161 -1.380 -3.134 1.00 0.00 C ATOM 889 CG TRP A 64 -7.919 -0.539 -1.914 1.00 0.00 C ATOM 890 CD1 TRP A 64 -7.381 -0.951 -0.747 1.00 0.00 C ATOM 891 CD2 TRP A 64 -8.312 0.846 -1.688 1.00 0.00 C ATOM 892 NE1 TRP A 64 -7.365 0.088 0.159 1.00 0.00 N ATOM 893 CE2 TRP A 64 -7.946 1.222 -0.363 1.00 0.00 C ATOM 894 CE3 TRP A 64 -8.973 1.816 -2.464 1.00 0.00 C ATOM 895 CZ2 TRP A 64 -8.207 2.500 0.154 1.00 0.00 C ATOM 896 CZ3 TRP A 64 -9.270 3.090 -1.949 1.00 0.00 C ATOM 897 CH2 TRP A 64 -8.879 3.437 -0.645 1.00 0.00 C ATOM 898 H TRP A 64 -8.829 -3.622 -1.948 1.00 0.00 H ATOM 899 HA TRP A 64 -10.249 -1.229 -3.054 1.00 0.00 H ATOM 900 HB2 TRP A 64 -7.387 -2.133 -3.257 1.00 0.00 H ATOM 901 HB3 TRP A 64 -8.094 -0.714 -3.979 1.00 0.00 H ATOM 902 HD1 TRP A 64 -7.047 -1.950 -0.526 1.00 0.00 H ATOM 903 HE1 TRP A 64 -7.037 -0.037 1.104 1.00 0.00 H ATOM 904 HE3 TRP A 64 -9.267 1.554 -3.463 1.00 0.00 H ATOM 905 HZ2 TRP A 64 -7.917 2.758 1.157 1.00 0.00 H ATOM 906 HZ3 TRP A 64 -9.812 3.799 -2.556 1.00 0.00 H ATOM 907 HH2 TRP A 64 -9.104 4.420 -0.256 1.00 0.00 H ATOM 908 N ASP A 65 -10.307 -3.928 -4.572 1.00 0.00 N ATOM 909 CA ASP A 65 -10.607 -4.713 -5.770 1.00 0.00 C ATOM 910 C ASP A 65 -11.562 -4.045 -6.753 1.00 0.00 C ATOM 911 O ASP A 65 -11.547 -4.328 -7.948 1.00 0.00 O ATOM 912 CB ASP A 65 -11.165 -6.083 -5.358 1.00 0.00 C ATOM 913 CG ASP A 65 -12.464 -5.957 -4.567 1.00 0.00 C ATOM 914 OD1 ASP A 65 -12.449 -5.194 -3.574 1.00 0.00 O ATOM 915 OD2 ASP A 65 -13.452 -6.598 -4.981 1.00 0.00 O ATOM 916 H ASP A 65 -10.583 -4.375 -3.700 1.00 0.00 H ATOM 917 HA ASP A 65 -9.679 -4.812 -6.304 1.00 0.00 H ATOM 918 HB2 ASP A 65 -11.355 -6.671 -6.256 1.00 0.00 H ATOM 919 HB3 ASP A 65 -10.441 -6.621 -4.752 1.00 0.00 H ATOM 920 N GLY A 66 -12.382 -3.152 -6.226 1.00 0.00 N ATOM 921 CA GLY A 66 -13.412 -2.427 -6.955 1.00 0.00 C ATOM 922 C GLY A 66 -13.237 -0.915 -6.870 1.00 0.00 C ATOM 923 O GLY A 66 -14.196 -0.185 -7.114 1.00 0.00 O ATOM 924 H GLY A 66 -12.224 -3.038 -5.239 1.00 0.00 H ATOM 925 HA2 GLY A 66 -13.409 -2.699 -8.011 1.00 0.00 H ATOM 926 HA3 GLY A 66 -14.384 -2.693 -6.539 1.00 0.00 H ATOM 927 N ARG A 67 -12.039 -0.427 -6.520 1.00 0.00 N ATOM 928 CA ARG A 67 -11.786 1.008 -6.414 1.00 0.00 C ATOM 929 C ARG A 67 -10.593 1.479 -7.245 1.00 0.00 C ATOM 930 O ARG A 67 -10.432 2.690 -7.377 1.00 0.00 O ATOM 931 CB ARG A 67 -11.571 1.376 -4.936 1.00 0.00 C ATOM 932 CG ARG A 67 -12.880 1.666 -4.191 1.00 0.00 C ATOM 933 CD ARG A 67 -13.170 3.173 -4.100 1.00 0.00 C ATOM 934 NE ARG A 67 -13.156 3.821 -5.424 1.00 0.00 N ATOM 935 CZ ARG A 67 -13.880 4.895 -5.777 1.00 0.00 C ATOM 936 NH1 ARG A 67 -14.545 5.589 -4.846 1.00 0.00 N ATOM 937 NH2 ARG A 67 -13.934 5.268 -7.060 1.00 0.00 N ATOM 938 H ARG A 67 -11.291 -1.068 -6.255 1.00 0.00 H ATOM 939 HA ARG A 67 -12.633 1.573 -6.800 1.00 0.00 H ATOM 940 HB2 ARG A 67 -11.065 0.542 -4.450 1.00 0.00 H ATOM 941 HB3 ARG A 67 -10.928 2.253 -4.855 1.00 0.00 H ATOM 942 HG2 ARG A 67 -13.711 1.145 -4.670 1.00 0.00 H ATOM 943 HG3 ARG A 67 -12.787 1.284 -3.172 1.00 0.00 H ATOM 944 HD2 ARG A 67 -14.143 3.274 -3.617 1.00 0.00 H ATOM 945 HD3 ARG A 67 -12.411 3.642 -3.469 1.00 0.00 H ATOM 946 HE ARG A 67 -12.522 3.426 -6.107 1.00 0.00 H ATOM 947 HH11 ARG A 67 -14.440 5.334 -3.876 1.00 0.00 H ATOM 948 HH12 ARG A 67 -15.108 6.393 -5.079 1.00 0.00 H ATOM 949 HH21 ARG A 67 -13.435 4.739 -7.763 1.00 0.00 H ATOM 950 HH22 ARG A 67 -14.479 6.063 -7.357 1.00 0.00 H ATOM 951 N LEU A 68 -9.746 0.560 -7.724 1.00 0.00 N ATOM 952 CA LEU A 68 -8.315 0.832 -7.856 1.00 0.00 C ATOM 953 C LEU A 68 -7.716 0.273 -9.164 1.00 0.00 C ATOM 954 O LEU A 68 -6.552 0.527 -9.430 1.00 0.00 O ATOM 955 CB LEU A 68 -7.661 0.251 -6.579 1.00 0.00 C ATOM 956 CG LEU A 68 -6.708 1.115 -5.731 1.00 0.00 C ATOM 957 CD1 LEU A 68 -5.317 1.195 -6.335 1.00 0.00 C ATOM 958 CD2 LEU A 68 -7.220 2.526 -5.479 1.00 0.00 C ATOM 959 H LEU A 68 -9.986 -0.412 -7.602 1.00 0.00 H ATOM 960 HA LEU A 68 -8.150 1.908 -7.894 1.00 0.00 H ATOM 961 HB2 LEU A 68 -8.475 0.039 -5.894 1.00 0.00 H ATOM 962 HB3 LEU A 68 -7.190 -0.700 -6.808 1.00 0.00 H ATOM 963 HG LEU A 68 -6.601 0.652 -4.746 1.00 0.00 H ATOM 964 HD11 LEU A 68 -5.405 1.534 -7.358 1.00 0.00 H ATOM 965 HD12 LEU A 68 -4.705 1.902 -5.779 1.00 0.00 H ATOM 966 HD13 LEU A 68 -4.857 0.213 -6.300 1.00 0.00 H ATOM 967 HD21 LEU A 68 -8.268 2.495 -5.196 1.00 0.00 H ATOM 968 HD22 LEU A 68 -6.632 2.955 -4.668 1.00 0.00 H ATOM 969 HD23 LEU A 68 -7.103 3.133 -6.373 1.00 0.00 H ATOM 970 N ASP A 69 -8.502 -0.449 -9.977 1.00 0.00 N ATOM 971 CA ASP A 69 -8.248 -0.952 -11.330 1.00 0.00 C ATOM 972 C ASP A 69 -6.902 -1.662 -11.567 1.00 0.00 C ATOM 973 O ASP A 69 -5.957 -1.545 -10.797 1.00 0.00 O ATOM 974 CB ASP A 69 -8.524 0.161 -12.356 1.00 0.00 C ATOM 975 CG ASP A 69 -9.220 -0.378 -13.600 1.00 0.00 C ATOM 976 OD1 ASP A 69 -8.690 -1.359 -14.164 1.00 0.00 O ATOM 977 OD2 ASP A 69 -10.290 0.172 -13.935 1.00 0.00 O ATOM 978 H ASP A 69 -9.455 -0.552 -9.706 1.00 0.00 H ATOM 979 HA ASP A 69 -9.015 -1.715 -11.473 1.00 0.00 H ATOM 980 HB2 ASP A 69 -9.184 0.911 -11.919 1.00 0.00 H ATOM 981 HB3 ASP A 69 -7.596 0.654 -12.643 1.00 0.00 H ATOM 982 N GLU A 70 -6.761 -2.377 -12.683 1.00 0.00 N ATOM 983 CA GLU A 70 -5.487 -2.996 -13.042 1.00 0.00 C ATOM 984 C GLU A 70 -4.364 -1.954 -13.168 1.00 0.00 C ATOM 985 O GLU A 70 -3.188 -2.311 -13.084 1.00 0.00 O ATOM 986 CB GLU A 70 -5.627 -3.839 -14.320 1.00 0.00 C ATOM 987 CG GLU A 70 -6.129 -5.256 -13.999 1.00 0.00 C ATOM 988 CD GLU A 70 -6.188 -6.153 -15.232 1.00 0.00 C ATOM 989 OE1 GLU A 70 -5.284 -6.017 -16.086 1.00 0.00 O ATOM 990 OE2 GLU A 70 -7.124 -6.979 -15.290 1.00 0.00 O ATOM 991 H GLU A 70 -7.513 -2.319 -13.374 1.00 0.00 H ATOM 992 HA GLU A 70 -5.192 -3.662 -12.229 1.00 0.00 H ATOM 993 HB2 GLU A 70 -6.299 -3.355 -15.030 1.00 0.00 H ATOM 994 HB3 GLU A 70 -4.646 -3.933 -14.790 1.00 0.00 H ATOM 995 HG2 GLU A 70 -5.445 -5.728 -13.293 1.00 0.00 H ATOM 996 HG3 GLU A 70 -7.119 -5.202 -13.547 1.00 0.00 H ATOM 997 N ASP A 71 -4.713 -0.673 -13.334 1.00 0.00 N ATOM 998 CA ASP A 71 -3.733 0.399 -13.407 1.00 0.00 C ATOM 999 C ASP A 71 -3.279 0.731 -11.993 1.00 0.00 C ATOM 1000 O ASP A 71 -2.153 0.431 -11.600 1.00 0.00 O ATOM 1001 CB ASP A 71 -4.312 1.647 -14.099 1.00 0.00 C ATOM 1002 CG ASP A 71 -4.203 1.590 -15.617 1.00 0.00 C ATOM 1003 OD1 ASP A 71 -3.068 1.379 -16.096 1.00 0.00 O ATOM 1004 OD2 ASP A 71 -5.244 1.804 -16.272 1.00 0.00 O ATOM 1005 H ASP A 71 -5.690 -0.438 -13.223 1.00 0.00 H ATOM 1006 HA ASP A 71 -2.856 0.063 -13.963 1.00 0.00 H ATOM 1007 HB2 ASP A 71 -5.350 1.808 -13.808 1.00 0.00 H ATOM 1008 HB3 ASP A 71 -3.731 2.518 -13.795 1.00 0.00 H ATOM 1009 N GLU A 72 -4.141 1.383 -11.215 1.00 0.00 N ATOM 1010 CA GLU A 72 -3.722 1.962 -9.953 1.00 0.00 C ATOM 1011 C GLU A 72 -3.365 0.887 -8.915 1.00 0.00 C ATOM 1012 O GLU A 72 -2.488 1.145 -8.090 1.00 0.00 O ATOM 1013 CB GLU A 72 -4.716 3.022 -9.466 1.00 0.00 C ATOM 1014 CG GLU A 72 -4.944 4.127 -10.511 1.00 0.00 C ATOM 1015 CD GLU A 72 -6.024 5.127 -10.101 1.00 0.00 C ATOM 1016 OE1 GLU A 72 -6.783 4.813 -9.159 1.00 0.00 O ATOM 1017 OE2 GLU A 72 -6.051 6.209 -10.726 1.00 0.00 O ATOM 1018 H GLU A 72 -5.075 1.570 -11.547 1.00 0.00 H ATOM 1019 HA GLU A 72 -2.798 2.508 -10.148 1.00 0.00 H ATOM 1020 HB2 GLU A 72 -5.688 2.603 -9.249 1.00 0.00 H ATOM 1021 HB3 GLU A 72 -4.320 3.433 -8.539 1.00 0.00 H ATOM 1022 HG2 GLU A 72 -4.010 4.661 -10.666 1.00 0.00 H ATOM 1023 HG3 GLU A 72 -5.264 3.699 -11.459 1.00 0.00 H ATOM 1024 N ILE A 73 -3.958 -0.319 -8.978 1.00 0.00 N ATOM 1025 CA ILE A 73 -3.475 -1.488 -8.231 1.00 0.00 C ATOM 1026 C ILE A 73 -1.957 -1.602 -8.397 1.00 0.00 C ATOM 1027 O ILE A 73 -1.239 -1.793 -7.417 1.00 0.00 O ATOM 1028 CB ILE A 73 -4.193 -2.783 -8.674 1.00 0.00 C ATOM 1029 CG1 ILE A 73 -5.675 -2.852 -8.244 1.00 0.00 C ATOM 1030 CG2 ILE A 73 -3.466 -4.050 -8.201 1.00 0.00 C ATOM 1031 CD1 ILE A 73 -5.940 -3.107 -6.760 1.00 0.00 C ATOM 1032 H ILE A 73 -4.760 -0.434 -9.603 1.00 0.00 H ATOM 1033 HA ILE A 73 -3.658 -1.349 -7.169 1.00 0.00 H ATOM 1034 HB ILE A 73 -4.155 -2.821 -9.763 1.00 0.00 H ATOM 1035 HG12 ILE A 73 -6.168 -1.916 -8.478 1.00 0.00 H ATOM 1036 HG13 ILE A 73 -6.161 -3.647 -8.812 1.00 0.00 H ATOM 1037 HG21 ILE A 73 -3.256 -4.000 -7.133 1.00 0.00 H ATOM 1038 HG22 ILE A 73 -4.087 -4.923 -8.408 1.00 0.00 H ATOM 1039 HG23 ILE A 73 -2.528 -4.168 -8.745 1.00 0.00 H ATOM 1040 HD11 ILE A 73 -5.467 -4.033 -6.441 1.00 0.00 H ATOM 1041 HD12 ILE A 73 -5.558 -2.271 -6.179 1.00 0.00 H ATOM 1042 HD13 ILE A 73 -7.019 -3.189 -6.589 1.00 0.00 H ATOM 1043 N ALA A 74 -1.463 -1.457 -9.629 1.00 0.00 N ATOM 1044 CA ALA A 74 -0.038 -1.455 -9.906 1.00 0.00 C ATOM 1045 C ALA A 74 0.578 -0.139 -9.420 1.00 0.00 C ATOM 1046 O ALA A 74 1.547 -0.141 -8.662 1.00 0.00 O ATOM 1047 CB ALA A 74 0.184 -1.683 -11.406 1.00 0.00 C ATOM 1048 H ALA A 74 -2.089 -1.204 -10.387 1.00 0.00 H ATOM 1049 HA ALA A 74 0.426 -2.280 -9.363 1.00 0.00 H ATOM 1050 HB1 ALA A 74 -0.426 -2.523 -11.743 1.00 0.00 H ATOM 1051 HB2 ALA A 74 -0.101 -0.807 -11.987 1.00 0.00 H ATOM 1052 HB3 ALA A 74 1.236 -1.898 -11.585 1.00 0.00 H ATOM 1053 N GLY A 75 0.007 0.984 -9.864 1.00 0.00 N ATOM 1054 CA GLY A 75 0.466 2.336 -9.578 1.00 0.00 C ATOM 1055 C GLY A 75 0.852 2.550 -8.118 1.00 0.00 C ATOM 1056 O GLY A 75 2.008 2.827 -7.791 1.00 0.00 O ATOM 1057 H GLY A 75 -0.800 0.879 -10.471 1.00 0.00 H ATOM 1058 HA2 GLY A 75 1.299 2.586 -10.225 1.00 0.00 H ATOM 1059 HA3 GLY A 75 -0.340 3.032 -9.800 1.00 0.00 H ATOM 1060 N VAL A 76 -0.141 2.470 -7.233 1.00 0.00 N ATOM 1061 CA VAL A 76 0.040 2.894 -5.857 1.00 0.00 C ATOM 1062 C VAL A 76 0.933 1.905 -5.102 1.00 0.00 C ATOM 1063 O VAL A 76 1.712 2.294 -4.234 1.00 0.00 O ATOM 1064 CB VAL A 76 -1.321 3.152 -5.193 1.00 0.00 C ATOM 1065 CG1 VAL A 76 -2.040 1.881 -4.737 1.00 0.00 C ATOM 1066 CG2 VAL A 76 -1.149 4.084 -3.994 1.00 0.00 C ATOM 1067 H VAL A 76 -1.056 2.148 -7.540 1.00 0.00 H ATOM 1068 HA VAL A 76 0.550 3.855 -5.904 1.00 0.00 H ATOM 1069 HB VAL A 76 -1.958 3.669 -5.913 1.00 0.00 H ATOM 1070 HG11 VAL A 76 -2.180 1.199 -5.573 1.00 0.00 H ATOM 1071 HG12 VAL A 76 -1.478 1.376 -3.952 1.00 0.00 H ATOM 1072 HG13 VAL A 76 -3.010 2.171 -4.342 1.00 0.00 H ATOM 1073 HG21 VAL A 76 -0.588 4.961 -4.305 1.00 0.00 H ATOM 1074 HG22 VAL A 76 -2.129 4.403 -3.643 1.00 0.00 H ATOM 1075 HG23 VAL A 76 -0.612 3.581 -3.190 1.00 0.00 H ATOM 1076 N ALA A 77 0.847 0.622 -5.461 1.00 0.00 N ATOM 1077 CA ALA A 77 1.687 -0.425 -4.919 1.00 0.00 C ATOM 1078 C ALA A 77 3.131 -0.094 -5.247 1.00 0.00 C ATOM 1079 O ALA A 77 3.982 -0.058 -4.361 1.00 0.00 O ATOM 1080 CB ALA A 77 1.287 -1.746 -5.584 1.00 0.00 C ATOM 1081 H ALA A 77 0.315 0.384 -6.284 1.00 0.00 H ATOM 1082 HA ALA A 77 1.584 -0.470 -3.827 1.00 0.00 H ATOM 1083 HB1 ALA A 77 1.183 -1.618 -6.658 1.00 0.00 H ATOM 1084 HB2 ALA A 77 2.064 -2.489 -5.438 1.00 0.00 H ATOM 1085 HB3 ALA A 77 0.341 -2.105 -5.180 1.00 0.00 H ATOM 1086 N ALA A 78 3.401 0.162 -6.528 1.00 0.00 N ATOM 1087 CA ALA A 78 4.740 0.478 -6.969 1.00 0.00 C ATOM 1088 C ALA A 78 5.272 1.693 -6.214 1.00 0.00 C ATOM 1089 O ALA A 78 6.379 1.645 -5.680 1.00 0.00 O ATOM 1090 CB ALA A 78 4.767 0.697 -8.477 1.00 0.00 C ATOM 1091 H ALA A 78 2.656 0.125 -7.218 1.00 0.00 H ATOM 1092 HA ALA A 78 5.338 -0.396 -6.730 1.00 0.00 H ATOM 1093 HB1 ALA A 78 4.381 -0.186 -8.985 1.00 0.00 H ATOM 1094 HB2 ALA A 78 4.155 1.563 -8.721 1.00 0.00 H ATOM 1095 HB3 ALA A 78 5.792 0.878 -8.802 1.00 0.00 H ATOM 1096 N TYR A 79 4.468 2.764 -6.142 1.00 0.00 N ATOM 1097 CA TYR A 79 4.825 3.943 -5.361 1.00 0.00 C ATOM 1098 C TYR A 79 5.272 3.548 -3.951 1.00 0.00 C ATOM 1099 O TYR A 79 6.425 3.771 -3.580 1.00 0.00 O ATOM 1100 CB TYR A 79 3.650 4.935 -5.324 1.00 0.00 C ATOM 1101 CG TYR A 79 3.775 6.118 -4.371 1.00 0.00 C ATOM 1102 CD1 TYR A 79 5.022 6.700 -4.063 1.00 0.00 C ATOM 1103 CD2 TYR A 79 2.607 6.667 -3.811 1.00 0.00 C ATOM 1104 CE1 TYR A 79 5.093 7.831 -3.231 1.00 0.00 C ATOM 1105 CE2 TYR A 79 2.686 7.790 -2.969 1.00 0.00 C ATOM 1106 CZ TYR A 79 3.926 8.362 -2.665 1.00 0.00 C ATOM 1107 OH TYR A 79 3.987 9.456 -1.854 1.00 0.00 O ATOM 1108 H TYR A 79 3.577 2.746 -6.639 1.00 0.00 H ATOM 1109 HA TYR A 79 5.669 4.416 -5.861 1.00 0.00 H ATOM 1110 HB2 TYR A 79 3.480 5.315 -6.331 1.00 0.00 H ATOM 1111 HB3 TYR A 79 2.759 4.384 -5.036 1.00 0.00 H ATOM 1112 HD1 TYR A 79 5.941 6.288 -4.446 1.00 0.00 H ATOM 1113 HD2 TYR A 79 1.645 6.238 -4.048 1.00 0.00 H ATOM 1114 HE1 TYR A 79 6.042 8.311 -3.058 1.00 0.00 H ATOM 1115 HE2 TYR A 79 1.799 8.239 -2.561 1.00 0.00 H ATOM 1116 HH TYR A 79 4.886 9.709 -1.636 1.00 0.00 H ATOM 1117 N VAL A 80 4.366 2.976 -3.153 1.00 0.00 N ATOM 1118 CA VAL A 80 4.673 2.711 -1.752 1.00 0.00 C ATOM 1119 C VAL A 80 5.879 1.771 -1.629 1.00 0.00 C ATOM 1120 O VAL A 80 6.721 1.954 -0.751 1.00 0.00 O ATOM 1121 CB VAL A 80 3.430 2.227 -0.984 1.00 0.00 C ATOM 1122 CG1 VAL A 80 2.293 3.255 -1.088 1.00 0.00 C ATOM 1123 CG2 VAL A 80 2.963 0.825 -1.350 1.00 0.00 C ATOM 1124 H VAL A 80 3.442 2.756 -3.517 1.00 0.00 H ATOM 1125 HA VAL A 80 4.964 3.663 -1.300 1.00 0.00 H ATOM 1126 HB VAL A 80 3.698 2.123 0.057 1.00 0.00 H ATOM 1127 HG11 VAL A 80 2.018 3.456 -2.119 1.00 0.00 H ATOM 1128 HG12 VAL A 80 1.408 2.898 -0.566 1.00 0.00 H ATOM 1129 HG13 VAL A 80 2.614 4.192 -0.638 1.00 0.00 H ATOM 1130 HG21 VAL A 80 3.763 0.117 -1.134 1.00 0.00 H ATOM 1131 HG22 VAL A 80 2.101 0.562 -0.737 1.00 0.00 H ATOM 1132 HG23 VAL A 80 2.692 0.791 -2.396 1.00 0.00 H ATOM 1133 N TYR A 81 5.982 0.785 -2.527 1.00 0.00 N ATOM 1134 CA TYR A 81 7.094 -0.153 -2.568 1.00 0.00 C ATOM 1135 C TYR A 81 8.426 0.577 -2.789 1.00 0.00 C ATOM 1136 O TYR A 81 9.401 0.279 -2.097 1.00 0.00 O ATOM 1137 CB TYR A 81 6.818 -1.218 -3.636 1.00 0.00 C ATOM 1138 CG TYR A 81 7.717 -2.437 -3.581 1.00 0.00 C ATOM 1139 CD1 TYR A 81 8.952 -2.438 -4.256 1.00 0.00 C ATOM 1140 CD2 TYR A 81 7.272 -3.607 -2.936 1.00 0.00 C ATOM 1141 CE1 TYR A 81 9.720 -3.614 -4.316 1.00 0.00 C ATOM 1142 CE2 TYR A 81 8.039 -4.782 -3.001 1.00 0.00 C ATOM 1143 CZ TYR A 81 9.251 -4.791 -3.708 1.00 0.00 C ATOM 1144 OH TYR A 81 9.992 -5.933 -3.757 1.00 0.00 O ATOM 1145 H TYR A 81 5.254 0.684 -3.229 1.00 0.00 H ATOM 1146 HA TYR A 81 7.134 -0.657 -1.601 1.00 0.00 H ATOM 1147 HB2 TYR A 81 5.795 -1.571 -3.507 1.00 0.00 H ATOM 1148 HB3 TYR A 81 6.889 -0.765 -4.626 1.00 0.00 H ATOM 1149 HD1 TYR A 81 9.301 -1.542 -4.749 1.00 0.00 H ATOM 1150 HD2 TYR A 81 6.331 -3.616 -2.405 1.00 0.00 H ATOM 1151 HE1 TYR A 81 10.663 -3.604 -4.842 1.00 0.00 H ATOM 1152 HE2 TYR A 81 7.714 -5.670 -2.482 1.00 0.00 H ATOM 1153 HH TYR A 81 10.791 -5.848 -4.281 1.00 0.00 H ATOM 1154 N ASP A 82 8.479 1.536 -3.726 1.00 0.00 N ATOM 1155 CA ASP A 82 9.679 2.348 -3.931 1.00 0.00 C ATOM 1156 C ASP A 82 10.049 3.060 -2.633 1.00 0.00 C ATOM 1157 O ASP A 82 11.160 2.881 -2.130 1.00 0.00 O ATOM 1158 CB ASP A 82 9.507 3.363 -5.067 1.00 0.00 C ATOM 1159 CG ASP A 82 10.801 4.146 -5.288 1.00 0.00 C ATOM 1160 OD1 ASP A 82 11.061 5.083 -4.501 1.00 0.00 O ATOM 1161 OD2 ASP A 82 11.529 3.788 -6.238 1.00 0.00 O ATOM 1162 H ASP A 82 7.650 1.746 -4.278 1.00 0.00 H ATOM 1163 HA ASP A 82 10.498 1.680 -4.204 1.00 0.00 H ATOM 1164 HB2 ASP A 82 9.248 2.840 -5.987 1.00 0.00 H ATOM 1165 HB3 ASP A 82 8.712 4.070 -4.831 1.00 0.00 H ATOM 1166 N GLN A 83 9.101 3.824 -2.069 1.00 0.00 N ATOM 1167 CA GLN A 83 9.332 4.548 -0.825 1.00 0.00 C ATOM 1168 C GLN A 83 9.925 3.623 0.233 1.00 0.00 C ATOM 1169 O GLN A 83 10.982 3.905 0.806 1.00 0.00 O ATOM 1170 CB GLN A 83 8.053 5.185 -0.271 1.00 0.00 C ATOM 1171 CG GLN A 83 7.298 6.100 -1.232 1.00 0.00 C ATOM 1172 CD GLN A 83 8.197 7.132 -1.893 1.00 0.00 C ATOM 1173 OE1 GLN A 83 8.364 7.141 -3.107 1.00 0.00 O ATOM 1174 NE2 GLN A 83 8.765 8.035 -1.107 1.00 0.00 N ATOM 1175 H GLN A 83 8.219 3.931 -2.562 1.00 0.00 H ATOM 1176 HA GLN A 83 10.048 5.330 -1.033 1.00 0.00 H ATOM 1177 HB2 GLN A 83 7.364 4.405 0.046 1.00 0.00 H ATOM 1178 HB3 GLN A 83 8.344 5.773 0.598 1.00 0.00 H ATOM 1179 HG2 GLN A 83 6.822 5.503 -1.999 1.00 0.00 H ATOM 1180 HG3 GLN A 83 6.517 6.611 -0.671 1.00 0.00 H ATOM 1181 HE21 GLN A 83 8.641 8.043 -0.103 1.00 0.00 H ATOM 1182 HE22 GLN A 83 9.379 8.714 -1.523 1.00 0.00 H ATOM 1183 N ALA A 84 9.221 2.511 0.464 1.00 0.00 N ATOM 1184 CA ALA A 84 9.598 1.479 1.402 1.00 0.00 C ATOM 1185 C ALA A 84 11.049 1.082 1.182 1.00 0.00 C ATOM 1186 O ALA A 84 11.887 1.294 2.060 1.00 0.00 O ATOM 1187 CB ALA A 84 8.672 0.269 1.234 1.00 0.00 C ATOM 1188 H ALA A 84 8.370 2.371 -0.074 1.00 0.00 H ATOM 1189 HA ALA A 84 9.490 1.885 2.408 1.00 0.00 H ATOM 1190 HB1 ALA A 84 7.635 0.576 1.308 1.00 0.00 H ATOM 1191 HB2 ALA A 84 8.798 -0.180 0.256 1.00 0.00 H ATOM 1192 HB3 ALA A 84 8.891 -0.475 1.998 1.00 0.00 H ATOM 1193 N ALA A 85 11.337 0.494 0.017 1.00 0.00 N ATOM 1194 CA ALA A 85 12.652 -0.019 -0.325 1.00 0.00 C ATOM 1195 C ALA A 85 13.706 1.063 -0.103 1.00 0.00 C ATOM 1196 O ALA A 85 14.620 0.865 0.701 1.00 0.00 O ATOM 1197 CB ALA A 85 12.653 -0.518 -1.773 1.00 0.00 C ATOM 1198 H ALA A 85 10.608 0.441 -0.692 1.00 0.00 H ATOM 1199 HA ALA A 85 12.873 -0.867 0.324 1.00 0.00 H ATOM 1200 HB1 ALA A 85 12.394 0.291 -2.458 1.00 0.00 H ATOM 1201 HB2 ALA A 85 13.644 -0.896 -2.028 1.00 0.00 H ATOM 1202 HB3 ALA A 85 11.927 -1.323 -1.886 1.00 0.00 H ATOM 1203 N GLY A 86 13.528 2.197 -0.785 1.00 0.00 N ATOM 1204 CA GLY A 86 14.455 3.313 -0.844 1.00 0.00 C ATOM 1205 C GLY A 86 14.773 3.918 0.518 1.00 0.00 C ATOM 1206 O GLY A 86 15.900 4.355 0.732 1.00 0.00 O ATOM 1207 H GLY A 86 12.686 2.280 -1.349 1.00 0.00 H ATOM 1208 HA2 GLY A 86 15.379 2.988 -1.325 1.00 0.00 H ATOM 1209 HA3 GLY A 86 13.998 4.100 -1.450 1.00 0.00 H ATOM 1210 N ASN A 87 13.771 4.004 1.401 1.00 0.00 N ATOM 1211 CA ASN A 87 13.760 4.840 2.606 1.00 0.00 C ATOM 1212 C ASN A 87 13.348 6.272 2.245 1.00 0.00 C ATOM 1213 O ASN A 87 13.571 7.190 3.025 1.00 0.00 O ATOM 1214 CB ASN A 87 15.084 4.860 3.402 1.00 0.00 C ATOM 1215 CG ASN A 87 15.663 3.491 3.754 1.00 0.00 C ATOM 1216 OD1 ASN A 87 14.968 2.476 3.783 1.00 0.00 O ATOM 1217 ND2 ASN A 87 16.958 3.455 4.059 1.00 0.00 N ATOM 1218 H ASN A 87 12.867 3.625 1.125 1.00 0.00 H ATOM 1219 HA ASN A 87 12.989 4.436 3.263 1.00 0.00 H ATOM 1220 HB2 ASN A 87 15.830 5.449 2.867 1.00 0.00 H ATOM 1221 HB3 ASN A 87 14.899 5.374 4.345 1.00 0.00 H ATOM 1222 HD21 ASN A 87 17.504 4.303 4.018 1.00 0.00 H ATOM 1223 HD22 ASN A 87 17.391 2.579 4.303 1.00 0.00 H ATOM 1224 N LYS A 88 12.743 6.473 1.070 1.00 0.00 N ATOM 1225 CA LYS A 88 12.273 7.763 0.592 1.00 0.00 C ATOM 1226 C LYS A 88 10.974 8.237 1.266 1.00 0.00 C ATOM 1227 O LYS A 88 10.417 9.244 0.833 1.00 0.00 O ATOM 1228 CB LYS A 88 12.062 7.634 -0.910 1.00 0.00 C ATOM 1229 CG LYS A 88 13.424 7.550 -1.560 1.00 0.00 C ATOM 1230 CD LYS A 88 13.230 7.514 -3.071 1.00 0.00 C ATOM 1231 CE LYS A 88 14.614 7.793 -3.628 1.00 0.00 C ATOM 1232 NZ LYS A 88 14.568 8.059 -5.080 1.00 0.00 N ATOM 1233 H LYS A 88 12.638 5.706 0.424 1.00 0.00 H ATOM 1234 HA LYS A 88 13.063 8.512 0.700 1.00 0.00 H ATOM 1235 HB2 LYS A 88 11.495 6.750 -1.164 1.00 0.00 H ATOM 1236 HB3 LYS A 88 11.546 8.506 -1.300 1.00 0.00 H ATOM 1237 HG2 LYS A 88 13.970 8.443 -1.253 1.00 0.00 H ATOM 1238 HG3 LYS A 88 13.972 6.667 -1.229 1.00 0.00 H ATOM 1239 HD2 LYS A 88 12.845 6.540 -3.388 1.00 0.00 H ATOM 1240 HD3 LYS A 88 12.527 8.293 -3.372 1.00 0.00 H ATOM 1241 HE2 LYS A 88 14.981 8.645 -3.052 1.00 0.00 H ATOM 1242 HE3 LYS A 88 15.255 6.940 -3.406 1.00 0.00 H ATOM 1243 HZ1 LYS A 88 14.177 7.258 -5.559 1.00 0.00 H ATOM 1244 HZ2 LYS A 88 13.986 8.864 -5.267 1.00 0.00 H ATOM 1245 HZ3 LYS A 88 15.498 8.237 -5.433 1.00 0.00 H ATOM 1246 N TRP A 89 10.443 7.501 2.248 1.00 0.00 N ATOM 1247 CA TRP A 89 9.287 7.958 3.007 1.00 0.00 C ATOM 1248 C TRP A 89 9.659 9.201 3.818 1.00 0.00 C ATOM 1249 O TRP A 89 8.820 10.127 3.852 1.00 0.00 O ATOM 1250 CB TRP A 89 8.759 6.848 3.929 1.00 0.00 C ATOM 1251 CG TRP A 89 7.797 5.864 3.328 1.00 0.00 C ATOM 1252 CD1 TRP A 89 7.908 4.517 3.368 1.00 0.00 C ATOM 1253 CD2 TRP A 89 6.539 6.136 2.640 1.00 0.00 C ATOM 1254 NE1 TRP A 89 6.791 3.933 2.804 1.00 0.00 N ATOM 1255 CE2 TRP A 89 5.922 4.890 2.316 1.00 0.00 C ATOM 1256 CE3 TRP A 89 5.856 7.311 2.252 1.00 0.00 C ATOM 1257 CZ2 TRP A 89 4.695 4.820 1.642 1.00 0.00 C ATOM 1258 CZ3 TRP A 89 4.645 7.248 1.541 1.00 0.00 C ATOM 1259 CH2 TRP A 89 4.067 6.007 1.234 1.00 0.00 C ATOM 1260 OXT TRP A 89 10.768 9.193 4.395 1.00 0.00 O ATOM 1261 H TRP A 89 10.967 6.729 2.620 1.00 0.00 H ATOM 1262 HA TRP A 89 8.507 8.249 2.307 1.00 0.00 H ATOM 1263 HB2 TRP A 89 9.602 6.324 4.382 1.00 0.00 H ATOM 1264 HB3 TRP A 89 8.209 7.332 4.738 1.00 0.00 H ATOM 1265 HD1 TRP A 89 8.732 3.982 3.806 1.00 0.00 H ATOM 1266 HE1 TRP A 89 6.653 2.920 2.774 1.00 0.00 H ATOM 1267 HE3 TRP A 89 6.269 8.276 2.503 1.00 0.00 H ATOM 1268 HZ2 TRP A 89 4.239 3.866 1.436 1.00 0.00 H ATOM 1269 HZ3 TRP A 89 4.158 8.157 1.220 1.00 0.00 H ATOM 1270 HH2 TRP A 89 3.145 5.976 0.678 1.00 0.00 H TER 1271 TRP A 89 HETATM 1272 FE HEC A 90 -3.277 -0.019 4.286 1.00 0.00 FE HETATM 1273 CHA HEC A 90 -1.819 -2.605 6.026 1.00 0.00 C HETATM 1274 CHB HEC A 90 -1.129 -0.436 1.648 1.00 0.00 C HETATM 1275 CHC HEC A 90 -5.172 2.236 2.393 1.00 0.00 C HETATM 1276 CHD HEC A 90 -5.258 0.741 7.068 1.00 0.00 C HETATM 1277 NA HEC A 90 -1.735 -1.273 3.921 1.00 0.00 N HETATM 1278 C1A HEC A 90 -1.314 -2.261 4.769 1.00 0.00 C HETATM 1279 C2A HEC A 90 -0.206 -2.929 4.133 1.00 0.00 C HETATM 1280 C3A HEC A 90 0.016 -2.293 2.930 1.00 0.00 C HETATM 1281 C4A HEC A 90 -0.986 -1.262 2.780 1.00 0.00 C HETATM 1282 CMA HEC A 90 1.078 -2.650 1.928 1.00 0.00 C HETATM 1283 CAA HEC A 90 0.560 -4.120 4.675 1.00 0.00 C HETATM 1284 CBA HEC A 90 1.639 -3.814 5.710 1.00 0.00 C HETATM 1285 CGA HEC A 90 1.084 -3.321 7.036 1.00 0.00 C HETATM 1286 O1A HEC A 90 0.508 -4.148 7.780 1.00 0.00 O HETATM 1287 O2A HEC A 90 1.202 -2.101 7.260 1.00 0.00 O HETATM 1288 NB HEC A 90 -3.161 0.784 2.370 1.00 0.00 N HETATM 1289 C1B HEC A 90 -2.170 0.490 1.490 1.00 0.00 C HETATM 1290 C2B HEC A 90 -2.380 1.302 0.312 1.00 0.00 C HETATM 1291 C3B HEC A 90 -3.579 1.973 0.469 1.00 0.00 C HETATM 1292 C4B HEC A 90 -4.041 1.673 1.808 1.00 0.00 C HETATM 1293 CMB HEC A 90 -1.486 1.304 -0.907 1.00 0.00 C HETATM 1294 CAB HEC A 90 -4.324 2.808 -0.576 1.00 0.00 C HETATM 1295 CBB HEC A 90 -4.756 2.008 -1.815 1.00 0.00 C HETATM 1296 NC HEC A 90 -4.973 1.206 4.642 1.00 0.00 N HETATM 1297 C1C HEC A 90 -5.534 2.045 3.720 1.00 0.00 C HETATM 1298 C2C HEC A 90 -6.550 2.825 4.386 1.00 0.00 C HETATM 1299 C3C HEC A 90 -6.540 2.457 5.713 1.00 0.00 C HETATM 1300 C4C HEC A 90 -5.558 1.399 5.865 1.00 0.00 C HETATM 1301 CMC HEC A 90 -7.325 3.981 3.788 1.00 0.00 C HETATM 1302 CAC HEC A 90 -7.301 3.143 6.831 1.00 0.00 C HETATM 1303 CBC HEC A 90 -8.820 3.193 6.641 1.00 0.00 C HETATM 1304 ND HEC A 90 -3.494 -0.793 6.216 1.00 0.00 N HETATM 1305 C1D HEC A 90 -4.342 -0.307 7.166 1.00 0.00 C HETATM 1306 C2D HEC A 90 -4.133 -1.088 8.359 1.00 0.00 C HETATM 1307 C3D HEC A 90 -3.266 -2.107 8.042 1.00 0.00 C HETATM 1308 C4D HEC A 90 -2.797 -1.863 6.696 1.00 0.00 C HETATM 1309 CMD HEC A 90 -4.756 -0.844 9.710 1.00 0.00 C HETATM 1310 CAD HEC A 90 -2.935 -3.271 8.946 1.00 0.00 C HETATM 1311 CBD HEC A 90 -4.126 -4.220 9.136 1.00 0.00 C HETATM 1312 CGD HEC A 90 -3.846 -5.303 10.171 1.00 0.00 C HETATM 1313 O1D HEC A 90 -3.231 -4.965 11.201 1.00 0.00 O HETATM 1314 O2D HEC A 90 -4.256 -6.457 9.924 1.00 0.00 O HETATM 1315 HHA HEC A 90 -1.371 -3.449 6.516 1.00 0.00 H HETATM 1316 HHB HEC A 90 -0.443 -0.559 0.826 1.00 0.00 H HETATM 1317 HHC HEC A 90 -5.748 2.939 1.825 1.00 0.00 H HETATM 1318 HHD HEC A 90 -5.813 0.982 7.958 1.00 0.00 H HETATM 1319 HMA1 HEC A 90 0.678 -3.420 1.272 1.00 0.00 H HETATM 1320 HMA2 HEC A 90 1.362 -1.780 1.341 1.00 0.00 H HETATM 1321 HMA3 HEC A 90 1.968 -3.016 2.437 1.00 0.00 H HETATM 1322 HAA1 HEC A 90 -0.123 -4.858 5.090 1.00 0.00 H HETATM 1323 HAA2 HEC A 90 1.103 -4.575 3.857 1.00 0.00 H HETATM 1324 HBA1 HEC A 90 2.232 -4.720 5.854 1.00 0.00 H HETATM 1325 HBA2 HEC A 90 2.272 -3.033 5.306 1.00 0.00 H HETATM 1326 HMB1 HEC A 90 -1.572 0.355 -1.435 1.00 0.00 H HETATM 1327 HMB2 HEC A 90 -1.750 2.109 -1.586 1.00 0.00 H HETATM 1328 HMB3 HEC A 90 -0.453 1.449 -0.597 1.00 0.00 H HETATM 1329 HAB HEC A 90 -5.246 3.212 -0.171 1.00 0.00 H HETATM 1330 HBB1 HEC A 90 -5.416 1.192 -1.533 1.00 0.00 H HETATM 1331 HBB2 HEC A 90 -5.293 2.654 -2.511 1.00 0.00 H HETATM 1332 HBB3 HEC A 90 -3.890 1.593 -2.324 1.00 0.00 H HETATM 1333 HMC1 HEC A 90 -8.290 3.635 3.422 1.00 0.00 H HETATM 1334 HMC2 HEC A 90 -7.484 4.762 4.527 1.00 0.00 H HETATM 1335 HMC3 HEC A 90 -6.777 4.450 2.976 1.00 0.00 H HETATM 1336 HAC HEC A 90 -7.164 2.574 7.735 1.00 0.00 H HETATM 1337 HBC1 HEC A 90 -9.203 2.193 6.454 1.00 0.00 H HETATM 1338 HBC2 HEC A 90 -9.278 3.582 7.551 1.00 0.00 H HETATM 1339 HBC3 HEC A 90 -9.090 3.848 5.817 1.00 0.00 H HETATM 1340 HMD1 HEC A 90 -5.828 -0.696 9.611 1.00 0.00 H HETATM 1341 HMD2 HEC A 90 -4.590 -1.691 10.371 1.00 0.00 H HETATM 1342 HMD3 HEC A 90 -4.300 0.038 10.154 1.00 0.00 H HETATM 1343 HAD1 HEC A 90 -2.111 -3.853 8.542 1.00 0.00 H HETATM 1344 HAD2 HEC A 90 -2.623 -2.879 9.915 1.00 0.00 H HETATM 1345 HBD1 HEC A 90 -5.007 -3.671 9.459 1.00 0.00 H HETATM 1346 HBD2 HEC A 90 -4.351 -4.678 8.176 1.00 0.00 H CONECT 201 1294 CONECT 231 1302 CONECT 245 1272 CONECT 849 1272 CONECT 1272 245 849 1277 1288 CONECT 1272 1296 1304 CONECT 1273 1278 1308 1315 CONECT 1274 1281 1289 1316 CONECT 1275 1292 1297 1317 CONECT 1276 1300 1305 1318 CONECT 1277 1272 1278 1281 CONECT 1278 1273 1277 1279 CONECT 1279 1278 1280 1283 CONECT 1280 1279 1281 1282 CONECT 1281 1274 1277 1280 CONECT 1282 1280 1319 1320 1321 CONECT 1283 1279 1284 1322 1323 CONECT 1284 1283 1285 1324 1325 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1272 1289 1292 CONECT 1289 1274 1288 1290 CONECT 1290 1289 1291 1293 CONECT 1291 1290 1292 1294 CONECT 1292 1275 1288 1291 CONECT 1293 1290 1326 1327 1328 CONECT 1294 201 1291 1295 1329 CONECT 1295 1294 1330 1331 1332 CONECT 1296 1272 1297 1300 CONECT 1297 1275 1296 1298 CONECT 1298 1297 1299 1301 CONECT 1299 1298 1300 1302 CONECT 1300 1276 1296 1299 CONECT 1301 1298 1333 1334 1335 CONECT 1302 231 1299 1303 1336 CONECT 1303 1302 1337 1338 1339 CONECT 1304 1272 1305 1308 CONECT 1305 1276 1304 1306 CONECT 1306 1305 1307 1309 CONECT 1307 1306 1308 1310 CONECT 1308 1273 1304 1307 CONECT 1309 1306 1340 1341 1342 CONECT 1310 1307 1311 1343 1344 CONECT 1311 1310 1312 1345 1346 CONECT 1312 1311 1313 1314 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1273 CONECT 1316 1274 CONECT 1317 1275 CONECT 1318 1276 CONECT 1319 1282 CONECT 1320 1282 CONECT 1321 1282 CONECT 1322 1283 CONECT 1323 1283 CONECT 1324 1284 CONECT 1325 1284 CONECT 1326 1293 CONECT 1327 1293 CONECT 1328 1293 CONECT 1329 1294 CONECT 1330 1295 CONECT 1331 1295 CONECT 1332 1295 CONECT 1333 1301 CONECT 1334 1301 CONECT 1335 1301 CONECT 1336 1302 CONECT 1337 1303 CONECT 1338 1303 CONECT 1339 1303 CONECT 1340 1309 CONECT 1341 1309 CONECT 1342 1309 CONECT 1343 1310 CONECT 1344 1310 CONECT 1345 1311 CONECT 1346 1311 MASTER 121 0 1 5 0 0 6 6 1345 1 80 7 END