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ID	2350	NAME	Phormia defensin B   Blast NCBI-PROT
LENGTH	40	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\ATCDLLSGTGINHSACAAHCLLRGNRGGYCNRKGVCVCRN.pdb REMARK YASARA Written on: Wed May 14 19:08:08 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 563 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-ABB; SEQRES 1 A 40 ALA THR CYS ASP LEU LEU SER GLY THR GLY ILE ASN HIS SEQRES 2 A 40 SER ALA CYS ALA ALA HIS CYS LEU LEU ARG GLY ASN ARG SEQRES 3 A 40 GLY GLY TYR CYS ASN ARG LYS GLY VAL CYS VAL CYS ARG SEQRES 4 A 40 ASN 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 SSBOND 1 CYS A 3 CYS A 30 2.03 SSBOND 3 CYS A 16 CYS A 36 2.03 SSBOND 5 CYS A 20 CYS A 38 2.02 ATOM 1 N ALA A 1 24.280 -26.439 -25.284 1.00-30.79 N ATOM 2 1H ALA A 1 23.903 -25.652 -24.768 1.00-30.79 H ATOM 3 2H ALA A 1 24.733 -26.096 -26.118 1.00-30.79 H ATOM 4 3H ALA A 1 24.956 -26.917 -24.704 1.00-30.79 H ATOM 5 CA ALA A 1 23.174 -27.370 -25.656 1.00-30.79 C ATOM 6 HA ALA A 1 22.420 -26.785 -26.183 1.00-30.79 H ATOM 7 C ALA A 1 22.505 -27.940 -24.405 1.00-30.79 C ATOM 8 O ALA A 1 21.740 -27.238 -23.766 1.00-30.79 O ATOM 9 CB ALA A 1 23.665 -28.495 -26.613 1.00-30.79 C ATOM 10 1HB ALA A 1 24.055 -28.049 -27.531 1.00-30.79 H ATOM 11 2HB ALA A 1 22.831 -29.149 -26.874 1.00-30.79 H ATOM 12 3HB ALA A 1 24.458 -29.083 -26.150 1.00-30.79 H ATOM 13 N THR A 2 22.781 -29.186 -24.031 1.00 33.11 N ATOM 14 H THR A 2 23.421 -29.762 -24.560 1.00 33.11 H ATOM 15 CA THR A 2 22.167 -29.803 -22.846 1.00 33.11 C ATOM 16 HA THR A 2 21.085 -29.661 -22.858 1.00 33.11 H ATOM 17 C THR A 2 22.716 -29.199 -21.560 1.00 33.11 C ATOM 18 O THR A 2 22.082 -29.218 -20.510 1.00 33.11 O ATOM 19 CB THR A 2 22.505 -31.298 -22.825 1.00 33.11 C ATOM 20 HB THR A 2 22.208 -31.737 -21.873 1.00 33.11 H ATOM 21 OG1 THR A 2 23.915 -31.417 -23.024 1.00 33.11 O ATOM 22 HG1 THR A 2 24.142 -32.351 -23.107 1.00 33.11 H ATOM 23 CG2 THR A 2 21.836 -32.043 -23.970 1.00 33.11 C ATOM 24 1HG2 THR A 2 22.028 -33.111 -23.862 1.00 33.11 H ATOM 25 2HG2 THR A 2 22.229 -31.709 -24.929 1.00 33.11 H ATOM 26 3HG2 THR A 2 20.757 -31.880 -23.940 1.00 33.11 H ATOM 27 N CYS A 3 23.894 -28.613 -21.685 1.00 31.95 N ATOM 28 H CYS A 3 24.385 -28.688 -22.554 1.00 31.95 H ATOM 29 CA CYS A 3 24.482 -27.777 -20.659 1.00 31.95 C ATOM 30 HA CYS A 3 23.804 -27.672 -19.818 1.00 31.95 H ATOM 31 C CYS A 3 24.632 -26.464 -21.403 1.00 31.95 C ATOM 32 O CYS A 3 25.165 -26.469 -22.519 1.00 31.95 O ATOM 33 CB CYS A 3 25.830 -28.346 -20.216 1.00 31.95 C ATOM 34 1HB CYS A 3 26.526 -28.271 -21.049 1.00 31.95 H ATOM 35 2HB CYS A 3 26.228 -27.759 -19.393 1.00 31.95 H ATOM 36 SG CYS A 3 25.699 -30.092 -19.724 1.00 31.95 S ATOM 37 N ASP A 4 24.100 -25.383 -20.859 1.00 22.36 N ATOM 38 H ASP A 4 23.683 -25.428 -19.936 1.00 22.36 H ATOM 39 CA ASP A 4 24.116 -24.082 -21.512 1.00 22.36 C ATOM 40 HA ASP A 4 25.090 -23.921 -21.971 1.00 22.36 H ATOM 41 C ASP A 4 23.866 -23.039 -20.433 1.00 22.36 C ATOM 42 O ASP A 4 23.305 -23.374 -19.388 1.00 22.36 O ATOM 43 CB ASP A 4 23.033 -23.988 -22.588 1.00 22.36 C ATOM 44 1HB ASP A 4 22.867 -24.980 -23.000 1.00 22.36 H ATOM 45 2HB ASP A 4 22.103 -23.634 -22.146 1.00 22.36 H ATOM 46 CG ASP A 4 23.452 -23.083 -23.720 1.00 22.36 C ATOM 47 OD1 ASP A 4 23.812 -23.617 -24.793 1.00 22.36 O ATOM 48 OD2 ASP A 4 23.625 -21.867 -23.498 1.00 22.36 O ATOM 49 N LEU A 5 24.200 -21.784 -20.707 1.00 -3.92 N ATOM 50 H LEU A 5 24.492 -21.558 -21.654 1.00 -3.92 H ATOM 51 CA LEU A 5 24.123 -20.695 -19.725 1.00 -3.92 C ATOM 52 HA LEU A 5 24.467 -21.069 -18.761 1.00 -3.92 H ATOM 53 C LEU A 5 22.692 -20.206 -19.540 1.00 -3.92 C ATOM 54 O LEU A 5 22.404 -19.346 -18.712 1.00 -3.92 O ATOM 55 CB LEU A 5 25.017 -19.526 -20.149 1.00 -3.92 C ATOM 56 1HB LEU A 5 24.639 -19.142 -21.096 1.00 -3.92 H ATOM 57 2HB LEU A 5 24.913 -18.735 -19.408 1.00 -3.92 H ATOM 58 CG LEU A 5 26.514 -19.821 -20.313 1.00 -3.92 C ATOM 59 HG LEU A 5 26.621 -20.592 -21.070 1.00 -3.92 H ATOM 60 CD1 LEU A 5 27.229 -18.564 -20.810 1.00 -3.92 C ATOM 61 1HD1 LEU A 5 28.284 -18.778 -20.979 1.00 -3.92 H ATOM 62 2HD1 LEU A 5 27.147 -17.771 -20.062 1.00 -3.92 H ATOM 63 3HD1 LEU A 5 26.778 -18.220 -21.740 1.00 -3.92 H ATOM 64 CD2 LEU A 5 27.200 -20.322 -19.045 1.00 -3.92 C ATOM 65 1HD2 LEU A 5 28.253 -20.518 -19.240 1.00 -3.92 H ATOM 66 2HD2 LEU A 5 26.731 -21.244 -18.700 1.00 -3.92 H ATOM 67 3HD2 LEU A 5 27.121 -19.572 -18.257 1.00 -3.92 H ATOM 68 N LEU A 6 21.783 -20.857 -20.250 1.00 -7.85 N ATOM 69 H LEU A 6 22.102 -21.522 -20.936 1.00 -7.85 H ATOM 70 CA LEU A 6 20.345 -20.727 -20.030 1.00 -7.85 C ATOM 71 HA LEU A 6 20.042 -19.688 -20.163 1.00 -7.85 H ATOM 72 C LEU A 6 20.006 -21.156 -18.601 1.00 -7.85 C ATOM 73 O LEU A 6 19.022 -20.711 -18.017 1.00 -7.85 O ATOM 74 CB LEU A 6 19.599 -21.628 -21.022 1.00 -7.85 C ATOM 75 1HB LEU A 6 19.891 -22.657 -20.811 1.00 -7.85 H ATOM 76 2HB LEU A 6 18.531 -21.541 -20.818 1.00 -7.85 H ATOM 77 CG LEU A 6 19.820 -21.382 -22.524 1.00 -7.85 C ATOM 78 HG LEU A 6 20.888 -21.419 -22.729 1.00 -7.85 H ATOM 79 CD1 LEU A 6 19.151 -22.491 -23.332 1.00 -7.85 C ATOM 80 1HD1 LEU A 6 19.349 -22.341 -24.394 1.00 -7.85 H ATOM 81 2HD1 LEU A 6 18.073 -22.486 -23.163 1.00 -7.85 H ATOM 82 3HD1 LEU A 6 19.557 -23.461 -23.039 1.00 -7.85 H ATOM 83 CD2 LEU A 6 19.291 -20.023 -22.979 1.00 -7.85 C ATOM 84 1HD2 LEU A 6 19.452 -19.907 -24.052 1.00 -7.85 H ATOM 85 2HD2 LEU A 6 19.825 -19.225 -22.465 1.00 -7.85 H ATOM 86 3HD2 LEU A 6 18.224 -19.943 -22.766 1.00 -7.85 H ATOM 87 N SER A 7 20.876 -21.968 -18.016 1.00 36.49 N ATOM 88 H SER A 7 21.676 -22.288 -18.550 1.00 36.49 H ATOM 89 CA SER A 7 20.783 -22.408 -16.625 1.00 36.49 C ATOM 90 HA SER A 7 19.754 -22.705 -16.424 1.00 36.49 H ATOM 91 C SER A 7 21.194 -21.348 -15.597 1.00 36.49 C ATOM 92 O SER A 7 21.976 -21.627 -14.690 1.00 36.49 O ATOM 93 CB SER A 7 21.686 -23.626 -16.453 1.00 36.49 C ATOM 94 1HB SER A 7 22.728 -23.306 -16.434 1.00 36.49 H ATOM 95 2HB SER A 7 21.446 -24.133 -15.519 1.00 36.49 H ATOM 96 OG SER A 7 21.505 -24.506 -17.549 1.00 36.49 O ATOM 97 HG SER A 7 22.105 -24.210 -18.255 1.00 36.49 H ATOM 98 N GLY A 8 20.712 -20.122 -15.750 1.00 -0.60 N ATOM 99 H GLY A 8 20.082 -19.933 -16.527 1.00 -0.60 H ATOM 100 CA GLY A 8 21.033 -19.060 -14.805 1.00 -0.60 C ATOM 101 1HA GLY A 8 20.432 -18.181 -15.036 1.00 -0.60 H ATOM 102 2HA GLY A 8 20.779 -19.402 -13.801 1.00 -0.60 H ATOM 103 C GLY A 8 22.496 -18.664 -14.808 1.00 -0.60 C ATOM 104 O GLY A 8 23.050 -18.339 -13.764 1.00 -0.60 O ATOM 105 N THR A 9 23.125 -18.738 -15.975 1.00 31.67 N ATOM 106 H THR A 9 22.582 -18.972 -16.802 1.00 31.67 H ATOM 107 CA THR A 9 24.567 -18.527 -16.187 1.00 31.67 C ATOM 108 HA THR A 9 24.718 -18.591 -17.261 1.00 31.67 H ATOM 109 C THR A 9 25.458 -19.614 -15.584 1.00 31.67 C ATOM 110 O THR A 9 26.679 -19.587 -15.733 1.00 31.67 O ATOM 111 CB THR A 9 25.070 -17.117 -15.770 1.00 31.67 C ATOM 112 HB THR A 9 25.618 -17.188 -14.830 1.00 31.67 H ATOM 113 OG1 THR A 9 23.956 -16.237 -15.599 1.00 31.67 O ATOM 114 HG1 THR A 9 23.493 -16.528 -14.803 1.00 31.67 H ATOM 115 CG2 THR A 9 25.956 -16.498 -16.840 1.00 31.67 C ATOM 116 1HG2 THR A 9 26.284 -15.516 -16.502 1.00 31.67 H ATOM 117 2HG2 THR A 9 25.393 -16.388 -17.767 1.00 31.67 H ATOM 118 3HG2 THR A 9 26.830 -17.129 -17.005 1.00 31.67 H ATOM 119 N GLY A 10 24.863 -20.632 -14.979 1.00 29.62 N ATOM 120 H GLY A 10 23.861 -20.627 -14.826 1.00 29.62 H ATOM 121 CA GLY A 10 25.627 -21.806 -14.603 1.00 29.62 C ATOM 122 1HA GLY A 10 26.584 -21.504 -14.176 1.00 29.62 H ATOM 123 2HA GLY A 10 25.070 -22.395 -13.876 1.00 29.62 H ATOM 124 C GLY A 10 25.859 -22.627 -15.856 1.00 29.62 C ATOM 125 O GLY A 10 25.137 -22.480 -16.833 1.00 29.62 O ATOM 126 N ILE A 11 26.849 -23.510 -15.838 1.00 19.22 N ATOM 127 H ILE A 11 27.438 -23.573 -15.025 1.00 19.22 H ATOM 128 CA ILE A 11 27.130 -24.376 -16.991 1.00 19.22 C ATOM 129 HA ILE A 11 27.209 -23.760 -17.888 1.00 19.22 H ATOM 130 C ILE A 11 25.957 -25.341 -17.189 1.00 19.22 C ATOM 131 O ILE A 11 25.648 -25.684 -18.321 1.00 19.22 O ATOM 132 CB ILE A 11 28.481 -25.152 -16.801 1.00 19.22 C ATOM 133 HB ILE A 11 28.425 -25.712 -15.868 1.00 19.22 H ATOM 134 CG1 ILE A 11 29.642 -24.138 -16.703 1.00 19.22 C ATOM 135 1HG1 ILE A 11 29.744 -23.642 -17.669 1.00 19.22 H ATOM 136 2HG1 ILE A 11 29.389 -23.376 -15.967 1.00 19.22 H ATOM 137 CG2 ILE A 11 28.750 -26.159 -17.962 1.00 19.22 C ATOM 138 1HG2 ILE A 11 29.684 -26.695 -17.795 1.00 19.22 H ATOM 139 2HG2 ILE A 11 28.793 -25.633 -18.917 1.00 19.22 H ATOM 140 3HG2 ILE A 11 27.954 -26.901 -18.004 1.00 19.22 H ATOM 141 CD1 ILE A 11 31.014 -24.710 -16.308 1.00 19.22 C ATOM 142 1HD1 ILE A 11 31.728 -23.890 -16.209 1.00 19.22 H ATOM 143 2HD1 ILE A 11 31.378 -25.396 -17.073 1.00 19.22 H ATOM 144 3HD1 ILE A 11 30.941 -25.229 -15.354 1.00 19.22 H ATOM 145 N ASN A 12 25.349 -25.725 -16.065 1.00 54.72 N ATOM 146 H ASN A 12 25.722 -25.326 -15.221 1.00 54.72 H ATOM 147 CA ASN A 12 24.192 -26.629 -15.859 1.00 54.72 C ATOM 148 HA ASN A 12 23.458 -26.108 -15.244 1.00 54.72 H ATOM 149 C ASN A 12 24.671 -27.834 -15.067 1.00 54.72 C ATOM 150 O ASN A 12 24.280 -28.010 -13.920 1.00 54.72 O ATOM 151 CB ASN A 12 23.469 -27.141 -17.119 1.00 54.72 C ATOM 152 1HB ASN A 12 23.140 -26.294 -17.710 1.00 54.72 H ATOM 153 2HB ASN A 12 24.154 -27.729 -17.721 1.00 54.72 H ATOM 154 CG ASN A 12 22.280 -28.010 -16.804 1.00 54.72 C ATOM 155 OD1 ASN A 12 22.418 -29.196 -16.549 1.00 54.72 O ATOM 156 ND2 ASN A 12 21.110 -27.440 -16.843 1.00 54.72 N ATOM 157 1HD2 ASN A 12 20.296 -27.996 -16.645 1.00 54.72 H ATOM 158 2HD2 ASN A 12 21.032 -26.459 -17.084 1.00 54.72 H ATOM 159 N HIS A 13 25.523 -28.625 -15.709 1.00 12.22 N ATOM 160 H HIS A 13 25.830 -28.317 -16.617 1.00 12.22 H ATOM 161 CA HIS A 13 25.994 -29.950 -15.274 1.00 12.22 C ATOM 162 HA HIS A 13 26.608 -30.340 -16.082 1.00 12.22 H ATOM 163 C HIS A 13 24.941 -31.026 -15.012 1.00 12.22 C ATOM 164 O HIS A 13 25.129 -32.150 -15.448 1.00 12.22 O ATOM 165 CB HIS A 13 26.902 -29.874 -14.042 1.00 12.22 C ATOM 166 1HB HIS A 13 26.331 -29.497 -13.194 1.00 12.22 H ATOM 167 2HB HIS A 13 27.238 -30.885 -13.806 1.00 12.22 H ATOM 168 CG HIS A 13 28.112 -29.014 -14.230 1.00 12.22 C ATOM 169 ND1 HIS A 13 29.083 -29.293 -15.168 1.00 12.22 N ATOM 170 CD2 HIS A 13 28.501 -27.889 -13.570 1.00 12.22 C ATOM 171 HD2 HIS A 13 27.933 -27.425 -12.775 1.00 12.22 H ATOM 172 CE1 HIS A 13 30.033 -28.323 -15.018 1.00 12.22 C ATOM 173 HE1 HIS A 13 30.935 -28.265 -15.614 1.00 12.22 H ATOM 174 NE2 HIS A 13 29.712 -27.446 -14.035 1.00 12.22 N ATOM 175 HE2 HIS A 13 30.253 -26.656 -13.713 1.00 12.22 H ATOM 176 N SER A 14 23.858 -30.726 -14.313 1.00-10.42 N ATOM 177 H SER A 14 23.683 -29.751 -14.074 1.00-10.42 H ATOM 178 CA SER A 14 22.925 -31.731 -13.809 1.00-10.42 C ATOM 179 HA SER A 14 23.483 -32.415 -13.173 1.00-10.42 H ATOM 180 C SER A 14 22.221 -32.588 -14.857 1.00-10.42 C ATOM 181 O SER A 14 22.011 -33.776 -14.618 1.00-10.42 O ATOM 182 CB SER A 14 21.875 -31.035 -12.945 1.00-10.42 C ATOM 183 1HB SER A 14 21.152 -31.769 -12.587 1.00-10.42 H ATOM 184 2HB SER A 14 22.371 -30.575 -12.090 1.00-10.42 H ATOM 185 OG SER A 14 21.214 -30.022 -13.687 1.00-10.42 O ATOM 186 HG SER A 14 20.625 -29.542 -13.097 1.00-10.42 H ATOM 187 N ALA A 15 21.892 -32.041 -16.020 1.00-17.13 N ATOM 188 H ALA A 15 22.068 -31.046 -16.178 1.00-17.13 H ATOM 189 CA ALA A 15 21.248 -32.842 -17.063 1.00-17.13 C ATOM 190 HA ALA A 15 20.372 -33.334 -16.638 1.00-17.13 H ATOM 191 C ALA A 15 22.215 -33.925 -17.557 1.00-17.13 C ATOM 192 O ALA A 15 21.869 -35.095 -17.717 1.00-17.13 O ATOM 193 CB ALA A 15 20.807 -31.930 -18.220 1.00-17.13 C ATOM 194 1HB ALA A 15 20.079 -31.203 -17.857 1.00-17.13 H ATOM 195 2HB ALA A 15 20.345 -32.533 -19.003 1.00-17.13 H ATOM 196 3HB ALA A 15 21.664 -31.397 -18.636 1.00-17.13 H ATOM 197 N CYS A 16 23.459 -33.515 -17.752 1.00 22.11 N ATOM 198 H CYS A 16 23.682 -32.547 -17.582 1.00 22.11 H ATOM 199 CA CYS A 16 24.519 -34.426 -18.167 1.00 22.11 C ATOM 200 HA CYS A 16 24.202 -34.999 -19.040 1.00 22.11 H ATOM 201 C CYS A 16 24.843 -35.403 -17.039 1.00 22.11 C ATOM 202 O CYS A 16 25.022 -36.592 -17.272 1.00 22.11 O ATOM 203 CB CYS A 16 25.762 -33.610 -18.519 1.00 22.11 C ATOM 204 1HB CYS A 16 25.603 -33.101 -19.469 1.00 22.11 H ATOM 205 2HB CYS A 16 25.899 -32.856 -17.746 1.00 22.11 H ATOM 206 SG CYS A 16 27.294 -34.583 -18.600 1.00 22.11 S ATOM 207 N ALA A 17 24.894 -34.915 -15.809 1.00 -7.24 N ATOM 208 H ALA A 17 24.743 -33.921 -15.658 1.00 -7.24 H ATOM 209 CA ALA A 17 25.213 -35.749 -14.660 1.00 -7.24 C ATOM 210 HA ALA A 17 26.177 -36.219 -14.846 1.00 -7.24 H ATOM 211 C ALA A 17 24.192 -36.865 -14.456 1.00 -7.24 C ATOM 212 O ALA A 17 24.573 -37.979 -14.120 1.00 -7.24 O ATOM 213 CB ALA A 17 25.316 -34.882 -13.399 1.00 -7.24 C ATOM 214 1HB ALA A 17 26.053 -34.091 -13.549 1.00 -7.24 H ATOM 215 2HB ALA A 17 25.629 -35.502 -12.556 1.00 -7.24 H ATOM 216 3HB ALA A 17 24.348 -34.441 -13.170 1.00 -7.24 H ATOM 217 N ALA A 18 22.916 -36.587 -14.684 1.00-11.89 N ATOM 218 H ALA A 18 22.641 -35.640 -14.932 1.00-11.89 H ATOM 219 CA ALA A 18 21.889 -37.616 -14.564 1.00-11.89 C ATOM 220 HA ALA A 18 21.953 -38.063 -13.571 1.00-11.89 H ATOM 221 C ALA A 18 22.132 -38.718 -15.600 1.00-11.89 C ATOM 222 O ALA A 18 22.106 -39.905 -15.283 1.00-11.89 O ATOM 223 CB ALA A 18 20.501 -36.987 -14.747 1.00-11.89 C ATOM 224 1HB ALA A 18 20.339 -36.229 -13.980 1.00-11.89 H ATOM 225 2HB ALA A 18 19.736 -37.760 -14.656 1.00-11.89 H ATOM 226 3HB ALA A 18 20.425 -36.520 -15.731 1.00-11.89 H ATOM 227 N HIS A 19 22.419 -38.316 -16.830 1.00 2.53 N ATOM 228 H HIS A 19 22.433 -37.324 -17.043 1.00 2.53 H ATOM 229 CA HIS A 19 22.708 -39.278 -17.894 1.00 2.53 C ATOM 230 HA HIS A 19 21.875 -39.976 -17.984 1.00 2.53 H ATOM 231 C HIS A 19 23.963 -40.086 -17.582 1.00 2.53 C ATOM 232 O HIS A 19 23.995 -41.300 -17.747 1.00 2.53 O ATOM 233 CB HIS A 19 22.884 -38.546 -19.226 1.00 2.53 C ATOM 234 1HB HIS A 19 21.975 -37.983 -19.437 1.00 2.53 H ATOM 235 2HB HIS A 19 23.711 -37.845 -19.143 1.00 2.53 H ATOM 236 CG HIS A 19 23.159 -39.465 -20.374 1.00 2.53 C ATOM 237 ND1 HIS A 19 22.159 -40.147 -21.032 1.00 2.53 N ATOM 238 CD2 HIS A 19 24.338 -39.812 -20.962 1.00 2.53 C ATOM 239 HD2 HIS A 19 25.302 -39.430 -20.656 1.00 2.53 H ATOM 240 CE1 HIS A 19 22.786 -40.897 -21.985 1.00 2.53 C ATOM 241 HE1 HIS A 19 22.267 -41.556 -22.667 1.00 2.53 H ATOM 242 NE2 HIS A 19 24.130 -40.708 -21.979 1.00 2.53 N ATOM 243 HE2 HIS A 19 24.812 -41.138 -22.584 1.00 2.53 H ATOM 244 N CYS A 20 24.998 -39.427 -17.089 1.00 5.41 N ATOM 245 H CYS A 20 24.943 -38.416 -16.974 1.00 5.41 H ATOM 246 CA CYS A 20 26.229 -40.116 -16.721 1.00 5.41 C ATOM 247 HA CYS A 20 26.563 -40.707 -17.573 1.00 5.41 H ATOM 248 C CYS A 20 26.043 -41.075 -15.557 1.00 5.41 C ATOM 249 O CYS A 20 26.634 -42.149 -15.568 1.00 5.41 O ATOM 250 CB CYS A 20 27.323 -39.113 -16.382 1.00 5.41 C ATOM 251 1HB CYS A 20 26.949 -38.399 -15.648 1.00 5.41 H ATOM 252 2HB CYS A 20 28.165 -39.650 -15.949 1.00 5.41 H ATOM 253 SG CYS A 20 27.887 -38.243 -17.876 1.00 5.41 S ATOM 254 N LEU A 21 25.200 -40.742 -14.593 1.00 -2.62 N ATOM 255 H LEU A 21 24.741 -39.833 -14.606 1.00 -2.62 H ATOM 256 CA LEU A 21 24.939 -41.643 -13.475 1.00 -2.62 C ATOM 257 HA LEU A 21 25.891 -41.914 -13.022 1.00 -2.62 H ATOM 258 C LEU A 21 24.268 -42.918 -13.972 1.00 -2.62 C ATOM 259 O LEU A 21 24.644 -44.017 -13.569 1.00 -2.62 O ATOM 260 CB LEU A 21 24.064 -40.944 -12.431 1.00 -2.62 C ATOM 261 1HB LEU A 21 24.532 -39.991 -12.186 1.00 -2.62 H ATOM 262 2HB LEU A 21 23.098 -40.732 -12.888 1.00 -2.62 H ATOM 263 CG LEU A 21 23.811 -41.700 -11.117 1.00 -2.62 C ATOM 264 HG LEU A 21 23.353 -42.660 -11.348 1.00 -2.62 H ATOM 265 CD1 LEU A 21 25.098 -41.953 -10.323 1.00 -2.62 C ATOM 266 1HD1 LEU A 21 24.856 -42.440 -9.379 1.00 -2.62 H ATOM 267 2HD1 LEU A 21 25.607 -41.008 -10.126 1.00 -2.62 H ATOM 268 3HD1 LEU A 21 25.757 -42.608 -10.893 1.00 -2.62 H ATOM 269 CD2 LEU A 21 22.835 -40.901 -10.258 1.00 -2.62 C ATOM 270 1HD2 LEU A 21 22.616 -41.450 -9.342 1.00 -2.62 H ATOM 271 2HD2 LEU A 21 21.901 -40.754 -10.803 1.00 -2.62 H ATOM 272 3HD2 LEU A 21 23.260 -39.929 -10.005 1.00 -2.62 H ATOM 273 N LEU A 22 23.334 -42.782 -14.905 1.00-22.99 N ATOM 274 H LEU A 22 23.052 -41.849 -15.198 1.00-22.99 H ATOM 275 CA LEU A 22 22.694 -43.945 -15.528 1.00-22.99 C ATOM 276 HA LEU A 22 22.317 -44.606 -14.748 1.00-22.99 H ATOM 277 C LEU A 22 23.691 -44.740 -16.369 1.00-22.99 C ATOM 278 O LEU A 22 23.617 -45.961 -16.460 1.00-22.99 O ATOM 279 CB LEU A 22 21.529 -43.497 -16.419 1.00-22.99 C ATOM 280 1HB LEU A 22 21.925 -42.800 -17.155 1.00-22.99 H ATOM 281 2HB LEU A 22 21.166 -44.372 -16.958 1.00-22.99 H ATOM 282 CG LEU A 22 20.323 -42.833 -15.737 1.00-22.99 C ATOM 283 HG LEU A 22 20.675 -42.021 -15.107 1.00-22.99 H ATOM 284 CD1 LEU A 22 19.396 -42.242 -16.797 1.00-22.99 C ATOM 285 1HD1 LEU A 22 18.558 -41.741 -16.314 1.00-22.99 H ATOM 286 2HD1 LEU A 22 19.021 -43.027 -17.454 1.00-22.99 H ATOM 287 3HD1 LEU A 22 19.943 -41.506 -17.389 1.00-22.99 H ATOM 288 CD2 LEU A 22 19.541 -43.811 -14.857 1.00-22.99 C ATOM 289 1HD2 LEU A 22 18.684 -43.303 -14.416 1.00-22.99 H ATOM 290 2HD2 LEU A 22 20.178 -44.174 -14.052 1.00-22.99 H ATOM 291 3HD2 LEU A 22 19.194 -44.657 -15.452 1.00-22.99 H ATOM 292 N ARG A 23 24.665 -44.051 -16.948 1.00 11.31 N ATOM 293 H ARG A 23 24.643 -43.035 -16.888 1.00 11.31 H ATOM 294 CA ARG A 23 25.757 -44.695 -17.685 1.00 11.31 C ATOM 295 HA ARG A 23 25.326 -45.495 -18.287 1.00 11.31 H ATOM 296 C ARG A 23 26.819 -45.315 -16.769 1.00 11.31 C ATOM 297 O ARG A 23 27.780 -45.917 -17.247 1.00 11.31 O ATOM 298 CB ARG A 23 26.425 -43.675 -18.616 1.00 11.31 C ATOM 299 1HB ARG A 23 25.697 -42.911 -18.882 1.00 11.31 H ATOM 300 2HB ARG A 23 27.236 -43.192 -18.070 1.00 11.31 H ATOM 301 CG ARG A 23 26.957 -44.281 -19.912 1.00 11.31 C ATOM 302 1HG ARG A 23 27.036 -45.361 -19.794 1.00 11.31 H ATOM 303 2HG ARG A 23 26.245 -44.076 -20.711 1.00 11.31 H ATOM 304 CD ARG A 23 28.330 -43.737 -20.307 1.00 11.31 C ATOM 305 1HD ARG A 23 28.575 -44.090 -21.309 1.00 11.31 H ATOM 306 2HD ARG A 23 28.288 -42.647 -20.324 1.00 11.31 H ATOM 307 NE ARG A 23 29.381 -44.166 -19.370 1.00 11.31 N ATOM 308 HE ARG A 23 29.654 -43.503 -18.646 1.00 11.31 H ATOM 309 CZ ARG A 23 29.998 -45.340 -19.342 1.00 11.31 C ATOM 310 NH1 ARG A 23 30.892 -45.537 -18.418 1.00 11.31 N ATOM 311 1HH1 ARG A 23 31.073 -44.789 -17.755 1.00 11.31 H ATOM 312 2HH1 ARG A 23 31.368 -46.416 -18.342 1.00 11.31 H ATOM 313 NH2 ARG A 23 29.774 -46.314 -20.192 1.00 11.31 N ATOM 314 1HH2 ARG A 23 29.082 -46.192 -20.909 1.00 11.31 H ATOM 315 2HH2 ARG A 23 30.274 -47.180 -20.105 1.00 11.31 H ATOM 316 N GLY A 24 26.672 -45.168 -15.461 1.00-12.08 N ATOM 317 H GLY A 24 25.862 -44.675 -15.097 1.00-12.08 H ATOM 318 CA GLY A 24 27.627 -45.735 -14.523 1.00-12.08 C ATOM 319 1HA GLY A 24 27.092 -45.959 -13.600 1.00-12.08 H ATOM 320 2HA GLY A 24 27.996 -46.677 -14.928 1.00-12.08 H ATOM 321 C GLY A 24 28.825 -44.877 -14.157 1.00-12.08 C ATOM 322 O GLY A 24 29.830 -45.425 -13.704 1.00-12.08 O ATOM 323 N ASN A 25 28.736 -43.562 -14.310 1.00 3.73 N ATOM 324 H ASN A 25 27.884 -43.164 -14.713 1.00 3.73 H ATOM 325 CA ASN A 25 29.780 -42.619 -13.886 1.00 3.73 C ATOM 326 HA ASN A 25 30.589 -43.153 -13.396 1.00 3.73 H ATOM 327 C ASN A 25 29.186 -41.620 -12.895 1.00 3.73 C ATOM 328 O ASN A 25 28.255 -40.900 -13.231 1.00 3.73 O ATOM 329 CB ASN A 25 30.335 -41.844 -15.085 1.00 3.73 C ATOM 330 1HB ASN A 25 29.507 -41.416 -15.645 1.00 3.73 H ATOM 331 2HB ASN A 25 30.964 -41.036 -14.719 1.00 3.73 H ATOM 332 CG ASN A 25 31.157 -42.700 -16.004 1.00 3.73 C ATOM 333 OD1 ASN A 25 30.815 -42.886 -17.166 1.00 3.73 O ATOM 334 ND2 ASN A 25 32.248 -43.220 -15.518 1.00 3.73 N ATOM 335 1HD2 ASN A 25 32.857 -43.742 -16.117 1.00 3.73 H ATOM 336 2HD2 ASN A 25 32.473 -43.106 -14.524 1.00 3.73 H ATOM 337 N ARG A 26 29.694 -41.575 -11.670 1.00-10.55 N ATOM 338 H ARG A 26 30.540 -42.110 -11.449 1.00-10.55 H ATOM 339 CA ARG A 26 29.077 -40.759 -10.613 1.00-10.55 C ATOM 340 HA ARG A 26 28.001 -40.709 -10.783 1.00-10.55 H ATOM 341 C ARG A 26 29.606 -39.335 -10.623 1.00-10.55 C ATOM 342 O ARG A 26 28.959 -38.416 -10.129 1.00-10.55 O ATOM 343 CB ARG A 26 29.338 -41.376 -9.234 1.00-10.55 C ATOM 344 1HB ARG A 26 30.414 -41.395 -9.064 1.00-10.55 H ATOM 345 2HB ARG A 26 28.887 -40.740 -8.472 1.00-10.55 H ATOM 346 CG ARG A 26 28.779 -42.789 -9.083 1.00-10.55 C ATOM 347 1HG ARG A 26 27.950 -42.777 -8.375 1.00-10.55 H ATOM 348 2HG ARG A 26 28.393 -43.126 -10.044 1.00-10.55 H ATOM 349 CD ARG A 26 29.836 -43.786 -8.610 1.00-10.55 C ATOM 350 1HD ARG A 26 30.826 -43.447 -8.914 1.00-10.55 H ATOM 351 2HD ARG A 26 29.809 -43.850 -7.521 1.00-10.55 H ATOM 352 NE ARG A 26 29.574 -45.107 -9.202 1.00-10.55 N ATOM 353 HE ARG A 26 28.975 -45.723 -8.680 1.00-10.55 H ATOM 354 CZ ARG A 26 30.022 -45.532 -10.378 1.00-10.55 C ATOM 355 NH1 ARG A 26 29.528 -46.626 -10.884 1.00-10.55 N ATOM 356 1HH1 ARG A 26 28.850 -47.166 -10.381 1.00-10.55 H ATOM 357 2HH1 ARG A 26 29.822 -46.903 -11.811 1.00-10.55 H ATOM 358 NH2 ARG A 26 30.918 -44.909 -11.089 1.00-10.55 N ATOM 359 1HH2 ARG A 26 31.407 -44.089 -10.727 1.00-10.55 H ATOM 360 2HH2 ARG A 26 31.123 -45.215 -12.034 1.00-10.55 H ATOM 361 N GLY A 27 30.780 -39.150 -11.202 1.00 13.80 N ATOM 362 H GLY A 27 31.279 -39.937 -11.602 1.00 13.80 H ATOM 363 CA GLY A 27 31.357 -37.826 -11.350 1.00 13.80 C ATOM 364 1HA GLY A 27 31.117 -37.210 -10.483 1.00 13.80 H ATOM 365 2HA GLY A 27 32.438 -37.903 -11.456 1.00 13.80 H ATOM 366 C GLY A 27 30.786 -37.195 -12.599 1.00 13.80 C ATOM 367 O GLY A 27 31.420 -37.185 -13.654 1.00 13.80 O ATOM 368 N GLY A 28 29.555 -36.724 -12.506 1.00 29.87 N ATOM 369 H GLY A 28 29.060 -36.799 -11.623 1.00 29.87 H ATOM 370 CA GLY A 28 28.895 -36.111 -13.642 1.00 29.87 C ATOM 371 1HA GLY A 28 29.095 -36.696 -14.535 1.00 29.87 H ATOM 372 2HA GLY A 28 27.826 -36.104 -13.462 1.00 29.87 H ATOM 373 C GLY A 28 29.363 -34.686 -13.854 1.00 29.87 C ATOM 374 O GLY A 28 29.064 -33.814 -13.045 1.00 29.87 O ATOM 375 N TYR A 29 30.102 -34.442 -14.927 1.00 -8.60 N ATOM 376 H TYR A 29 30.293 -35.187 -15.579 1.00 -8.60 H ATOM 377 CA TYR A 29 30.652 -33.119 -15.218 1.00 -8.60 C ATOM 378 HA TYR A 29 30.203 -32.372 -14.562 1.00 -8.60 H ATOM 379 C TYR A 29 30.328 -32.800 -16.666 1.00 -8.60 C ATOM 380 O TYR A 29 30.270 -33.719 -17.480 1.00 -8.60 O ATOM 381 CB TYR A 29 32.173 -33.124 -15.038 1.00 -8.60 C ATOM 382 1HB TYR A 29 32.605 -33.733 -15.828 1.00 -8.60 H ATOM 383 2HB TYR A 29 32.543 -32.105 -15.150 1.00 -8.60 H ATOM 384 CG TYR A 29 32.642 -33.682 -13.709 1.00 -8.60 C ATOM 385 CD1 TYR A 29 33.429 -34.852 -13.660 1.00 -8.60 C ATOM 386 HD1 TYR A 29 33.684 -35.365 -14.575 1.00 -8.60 H ATOM 387 CD2 TYR A 29 32.294 -33.058 -12.493 1.00 -8.60 C ATOM 388 HD2 TYR A 29 31.684 -32.165 -12.499 1.00 -8.60 H ATOM 389 CE1 TYR A 29 33.864 -35.389 -12.420 1.00 -8.60 C ATOM 390 HE1 TYR A 29 34.462 -36.285 -12.388 1.00 -8.60 H ATOM 391 CE2 TYR A 29 32.714 -33.604 -11.248 1.00 -8.60 C ATOM 392 HE2 TYR A 29 32.426 -33.125 -10.324 1.00 -8.60 H ATOM 393 CZ TYR A 29 33.491 -34.766 -11.229 1.00 -8.60 C ATOM 394 OH TYR A 29 33.890 -35.321 -10.039 1.00 -8.60 O ATOM 395 HH TYR A 29 33.577 -34.822 -9.279 1.00 -8.60 H ATOM 396 N CYS A 30 30.146 -31.534 -17.006 1.00 20.09 N ATOM 397 H CYS A 30 30.217 -30.802 -16.304 1.00 20.09 H ATOM 398 CA CYS A 30 29.802 -31.124 -18.364 1.00 20.09 C ATOM 399 HA CYS A 30 29.999 -31.930 -19.068 1.00 20.09 H ATOM 400 C CYS A 30 30.621 -29.898 -18.753 1.00 20.09 C ATOM 401 O CYS A 30 31.115 -29.187 -17.878 1.00 20.09 O ATOM 402 CB CYS A 30 28.317 -30.771 -18.399 1.00 20.09 C ATOM 403 1HB CYS A 30 27.785 -31.486 -17.773 1.00 20.09 H ATOM 404 2HB CYS A 30 28.188 -29.777 -17.969 1.00 20.09 H ATOM 405 SG CYS A 30 27.566 -30.808 -20.054 1.00 20.09 S ATOM 406 N ASN A 31 30.736 -29.621 -20.043 1.00 3.22 N ATOM 407 H ASN A 31 30.330 -30.261 -20.728 1.00 3.22 H ATOM 408 CA ASN A 31 31.368 -28.392 -20.520 1.00 3.22 C ATOM 409 HA ASN A 31 31.702 -27.817 -19.658 1.00 3.22 H ATOM 410 C ASN A 31 30.335 -27.543 -21.258 1.00 3.22 C ATOM 411 O ASN A 31 29.224 -27.996 -21.535 1.00 3.22 O ATOM 412 CB ASN A 31 32.612 -28.689 -21.377 1.00 3.22 C ATOM 413 1HB ASN A 31 33.154 -27.763 -21.559 1.00 3.22 H ATOM 414 2HB ASN A 31 33.264 -29.358 -20.820 1.00 3.22 H ATOM 415 CG ASN A 31 32.291 -29.315 -22.716 1.00 3.22 C ATOM 416 OD1 ASN A 31 31.568 -28.754 -23.531 1.00 3.22 O ATOM 417 ND2 ASN A 31 32.884 -30.441 -22.984 1.00 3.22 N ATOM 418 1HD2 ASN A 31 32.706 -30.886 -23.868 1.00 3.22 H ATOM 419 2HD2 ASN A 31 33.478 -30.878 -22.300 1.00 3.22 H ATOM 420 N ARG A 32 30.725 -26.318 -21.595 1.00 2.53 N ATOM 421 H ARG A 32 31.676 -26.051 -21.391 1.00 2.53 H ATOM 422 CA ARG A 32 29.851 -25.320 -22.230 1.00 2.53 C ATOM 423 HA ARG A 32 29.086 -25.032 -21.509 1.00 2.53 H ATOM 424 C ARG A 32 29.093 -25.776 -23.475 1.00 2.53 C ATOM 425 O ARG A 32 27.985 -25.309 -23.718 1.00 2.53 O ATOM 426 CB ARG A 32 30.711 -24.083 -22.559 1.00 2.53 C ATOM 427 1HB ARG A 32 31.140 -23.713 -21.627 1.00 2.53 H ATOM 428 2HB ARG A 32 31.532 -24.401 -23.202 1.00 2.53 H ATOM 429 CG ARG A 32 30.001 -22.913 -23.263 1.00 2.53 C ATOM 430 1HG ARG A 32 30.738 -22.157 -23.533 1.00 2.53 H ATOM 431 2HG ARG A 32 29.542 -23.278 -24.181 1.00 2.53 H ATOM 432 CD ARG A 32 28.922 -22.271 -22.400 1.00 2.53 C ATOM 433 1HD ARG A 32 28.268 -23.045 -22.000 1.00 2.53 H ATOM 434 2HD ARG A 32 29.396 -21.758 -21.562 1.00 2.53 H ATOM 435 NE ARG A 32 28.098 -21.317 -23.158 1.00 2.53 N ATOM 436 HE ARG A 32 28.390 -20.353 -23.136 1.00 2.53 H ATOM 437 CZ ARG A 32 26.963 -21.597 -23.790 1.00 2.53 C ATOM 438 NH1 ARG A 32 26.196 -20.617 -24.173 1.00 2.53 N ATOM 439 1HH1 ARG A 32 26.492 -19.663 -24.097 1.00 2.53 H ATOM 440 2HH1 ARG A 32 25.261 -20.839 -24.511 1.00 2.53 H ATOM 441 NH2 ARG A 32 26.540 -22.808 -24.035 1.00 2.53 N ATOM 442 1HH2 ARG A 32 27.101 -23.620 -23.792 1.00 2.53 H ATOM 443 2HH2 ARG A 32 25.625 -22.944 -24.470 1.00 2.53 H ATOM 444 N LYS A 33 29.645 -26.681 -24.270 1.00-24.69 N ATOM 445 H LYS A 33 30.533 -27.110 -24.019 1.00-24.69 H ATOM 446 CA LYS A 33 28.962 -27.116 -25.491 1.00-24.69 C ATOM 447 HA LYS A 33 28.574 -26.241 -26.013 1.00-24.69 H ATOM 448 C LYS A 33 27.778 -28.034 -25.207 1.00-24.69 C ATOM 449 O LYS A 33 26.988 -28.297 -26.102 1.00-24.69 O ATOM 450 CB LYS A 33 29.933 -27.851 -26.421 1.00-24.69 C ATOM 451 1HB LYS A 33 30.355 -28.701 -25.887 1.00-24.69 H ATOM 452 2HB LYS A 33 29.366 -28.230 -27.273 1.00-24.69 H ATOM 453 CG LYS A 33 31.070 -26.990 -26.953 1.00-24.69 C ATOM 454 1HG LYS A 33 30.652 -26.091 -27.405 1.00-24.69 H ATOM 455 2HG LYS A 33 31.731 -26.708 -26.133 1.00-24.69 H ATOM 456 CD LYS A 33 31.868 -27.753 -28.006 1.00-24.69 C ATOM 457 1HD LYS A 33 32.273 -28.663 -27.559 1.00-24.69 H ATOM 458 2HD LYS A 33 31.199 -28.029 -28.823 1.00-24.69 H ATOM 459 CE LYS A 33 33.010 -26.905 -28.565 1.00-24.69 C ATOM 460 1HE LYS A 33 32.596 -25.974 -28.961 1.00-24.69 H ATOM 461 2HE LYS A 33 33.700 -26.658 -27.754 1.00-24.69 H ATOM 462 NZ LYS A 33 33.757 -27.616 -29.665 1.00-24.69 N ATOM 463 1HZ LYS A 33 34.495 -27.022 -30.021 1.00-24.69 H ATOM 464 2HZ LYS A 33 33.124 -27.842 -30.421 1.00-24.69 H ATOM 465 3HZ LYS A 33 34.164 -28.471 -29.309 1.00-24.69 H ATOM 466 N GLY A 34 27.648 -28.535 -23.989 1.00 1.88 N ATOM 467 H GLY A 34 28.258 -28.231 -23.233 1.00 1.88 H ATOM 468 CA GLY A 34 26.645 -29.552 -23.717 1.00 1.88 C ATOM 469 1HA GLY A 34 26.361 -29.516 -22.672 1.00 1.88 H ATOM 470 2HA GLY A 34 25.766 -29.390 -24.334 1.00 1.88 H ATOM 471 C GLY A 34 27.208 -30.926 -24.001 1.00 1.88 C ATOM 472 O GLY A 34 26.499 -31.852 -24.374 1.00 1.88 O ATOM 473 N VAL A 35 28.515 -31.038 -23.826 1.00-21.17 N ATOM 474 H VAL A 35 29.044 -30.247 -23.495 1.00-21.17 H ATOM 475 CA VAL A 35 29.234 -32.290 -24.027 1.00-21.17 C ATOM 476 HA VAL A 35 28.551 -33.064 -24.374 1.00-21.17 H ATOM 477 C VAL A 35 29.733 -32.662 -22.639 1.00-21.17 C ATOM 478 O VAL A 35 30.272 -31.823 -21.909 1.00-21.17 O ATOM 479 CB VAL A 35 30.377 -32.124 -25.069 1.00-21.17 C ATOM 480 HB VAL A 35 31.035 -31.324 -24.740 1.00-21.17 H ATOM 481 CG1 VAL A 35 31.207 -33.408 -25.214 1.00-21.17 C ATOM 482 1HG1 VAL A 35 31.986 -33.265 -25.962 1.00-21.17 H ATOM 483 2HG1 VAL A 35 30.570 -34.239 -25.521 1.00-21.17 H ATOM 484 3HG1 VAL A 35 31.685 -33.658 -24.264 1.00-21.17 H ATOM 485 CG2 VAL A 35 29.796 -31.735 -26.440 1.00-21.17 C ATOM 486 1HG2 VAL A 35 30.603 -31.600 -27.159 1.00-21.17 H ATOM 487 2HG2 VAL A 35 29.231 -30.808 -26.365 1.00-21.17 H ATOM 488 3HG2 VAL A 35 29.128 -32.522 -26.798 1.00-21.17 H ATOM 489 N CYS A 36 29.480 -33.901 -22.254 1.00 31.18 N ATOM 490 H CYS A 36 29.018 -34.529 -22.890 1.00 31.18 H ATOM 491 CA CYS A 36 29.865 -34.407 -20.944 1.00 31.18 C ATOM 492 HA CYS A 36 29.585 -33.682 -20.182 1.00 31.18 H ATOM 493 C CYS A 36 31.369 -34.654 -20.838 1.00 31.18 C ATOM 494 O CYS A 36 32.037 -34.944 -21.824 1.00 31.18 O ATOM 495 CB CYS A 36 29.112 -35.710 -20.682 1.00 31.18 C ATOM 496 1HB CYS A 36 29.275 -36.391 -21.518 1.00 31.18 H ATOM 497 2HB CYS A 36 29.515 -36.169 -19.784 1.00 31.18 H ATOM 498 SG CYS A 36 27.325 -35.460 -20.430 1.00 31.18 S ATOM 499 N VAL A 37 31.877 -34.557 -19.618 1.00 -8.11 N ATOM 500 H VAL A 37 31.250 -34.300 -18.853 1.00 -8.11 H ATOM 501 CA VAL A 37 33.291 -34.766 -19.285 1.00 -8.11 C ATOM 502 HA VAL A 37 33.777 -35.290 -20.109 1.00 -8.11 H ATOM 503 C VAL A 37 33.301 -35.663 -18.041 1.00 -8.11 C ATOM 504 O VAL A 37 34.087 -35.499 -17.099 1.00 -8.11 O ATOM 505 CB VAL A 37 34.044 -33.418 -19.024 1.00 -8.11 C ATOM 506 HB VAL A 37 33.865 -33.102 -17.996 1.00 -8.11 H ATOM 507 CG1 VAL A 37 35.561 -33.589 -19.241 1.00 -8.11 C ATOM 508 1HG1 VAL A 37 36.078 -32.658 -19.008 1.00 -8.11 H ATOM 509 2HG1 VAL A 37 35.763 -33.861 -20.279 1.00 -8.11 H ATOM 510 3HG1 VAL A 37 35.945 -34.376 -18.592 1.00 -8.11 H ATOM 511 CG2 VAL A 37 33.545 -32.294 -19.950 1.00 -8.11 C ATOM 512 1HG2 VAL A 37 34.154 -31.402 -19.805 1.00 -8.11 H ATOM 513 2HG2 VAL A 37 32.512 -32.046 -19.712 1.00 -8.11 H ATOM 514 3HG2 VAL A 37 33.608 -32.619 -20.990 1.00 -8.11 H ATOM 515 N CYS A 38 32.326 -36.558 -18.001 1.00 1.81 N ATOM 516 H CYS A 38 31.727 -36.663 -18.802 1.00 1.81 H ATOM 517 CA CYS A 38 32.090 -37.406 -16.836 1.00 1.81 C ATOM 518 HA CYS A 38 31.984 -36.761 -15.966 1.00 1.81 H ATOM 519 C CYS A 38 33.219 -38.390 -16.556 1.00 1.81 C ATOM 520 O CYS A 38 33.914 -38.835 -17.466 1.00 1.81 O ATOM 521 CB CYS A 38 30.792 -38.181 -17.025 1.00 1.81 C ATOM 522 1HB CYS A 38 30.875 -38.806 -17.914 1.00 1.81 H ATOM 523 2HB CYS A 38 30.627 -38.822 -16.157 1.00 1.81 H ATOM 524 SG CYS A 38 29.379 -37.053 -17.202 1.00 1.81 S ATOM 525 N ARG A 39 33.393 -38.702 -15.280 1.00 -7.80 N ATOM 526 H ARG A 39 32.720 -38.349 -14.592 1.00 -7.80 H ATOM 527 CA ARG A 39 34.496 -39.517 -14.766 1.00 -7.80 C ATOM 528 HA ARG A 39 34.843 -40.243 -15.503 1.00 -7.80 H ATOM 529 C ARG A 39 33.910 -40.233 -13.559 1.00 -7.80 C ATOM 530 O ARG A 39 32.761 -39.964 -13.224 1.00 -7.80 O ATOM 531 CB ARG A 39 35.635 -38.577 -14.343 1.00 -7.80 C ATOM 532 1HB ARG A 39 35.181 -37.664 -13.965 1.00 -7.80 H ATOM 533 2HB ARG A 39 36.209 -39.026 -13.532 1.00 -7.80 H ATOM 534 CG ARG A 39 36.614 -38.229 -15.465 1.00 -7.80 C ATOM 535 1HG ARG A 39 37.325 -39.048 -15.573 1.00 -7.80 H ATOM 536 2HG ARG A 39 36.080 -38.105 -16.404 1.00 -7.80 H ATOM 537 CD ARG A 39 37.361 -36.940 -15.173 1.00 -7.80 C ATOM 538 1HD ARG A 39 37.669 -36.930 -14.127 1.00 -7.80 H ATOM 539 2HD ARG A 39 38.247 -36.895 -15.809 1.00 -7.80 H ATOM 540 NE ARG A 39 36.508 -35.779 -15.472 1.00 -7.80 N ATOM 541 HE ARG A 39 35.647 -35.966 -15.985 1.00 -7.80 H ATOM 542 CZ ARG A 39 36.754 -34.512 -15.174 1.00 -7.80 C ATOM 543 NH1 ARG A 39 35.903 -33.614 -15.577 1.00 -7.80 N ATOM 544 1HH1 ARG A 39 35.096 -33.913 -16.117 1.00 -7.80 H ATOM 545 2HH1 ARG A 39 36.035 -32.644 -15.353 1.00 -7.80 H ATOM 546 NH2 ARG A 39 37.805 -34.111 -14.506 1.00 -7.80 N ATOM 547 1HH2 ARG A 39 38.483 -34.788 -14.199 1.00 -7.80 H ATOM 548 2HH2 ARG A 39 37.938 -33.134 -14.308 1.00 -7.80 H ATOM 549 N ASN A 40 34.713 -41.047 -12.887 1.00-18.00 N ATOM 550 H ASN A 40 35.623 -41.251 -13.264 1.00-18.00 H ATOM 551 CA ASN A 40 34.374 -41.669 -11.599 1.00-18.00 C ATOM 552 HA ASN A 40 35.170 -42.366 -11.339 1.00-18.00 H ATOM 553 C ASN A 40 33.076 -42.457 -11.686 1.00-18.00 C ATOM 554 O ASN A 40 32.249 -42.402 -10.753 1.00-18.00 O ATOM 555 OXT ASN A 40 32.870 -43.108 -12.721 1.00-18.00 O ATOM 556 CB ASN A 40 34.298 -40.614 -10.479 1.00-18.00 C ATOM 557 1HB ASN A 40 33.439 -39.975 -10.653 1.00-18.00 H ATOM 558 2HB ASN A 40 34.161 -41.119 -9.523 1.00-18.00 H ATOM 559 CG ASN A 40 35.529 -39.745 -10.397 1.00-18.00 C ATOM 560 OD1 ASN A 40 36.634 -40.153 -10.715 1.00-18.00 O ATOM 561 ND2 ASN A 40 35.342 -38.517 -9.995 1.00-18.00 N ATOM 562 1HD2 ASN A 40 36.142 -37.914 -9.921 1.00-18.00 H ATOM 563 2HD2 ASN A 40 34.421 -38.196 -9.754 1.00-18.00 H TER 564 ASN A 40 CONECT 36 33 405 CONECT 206 203 498 CONECT 253 250 524 CONECT 405 36 402 CONECT 498 206 495 CONECT 524 253 521 END
SEQUENCE	ATCDLLSGTGINHSACAAHCLLRGNRGGYCNRKGVCVCRN
HELICITY	5.00	INSTAB. INDEX	20.36	FLEXIBILITY	17.14
a HYD. MOM.	11.66	b HYD. MOM.	9.72	c HYD. MOM	2.59
a MEAN HYD. MOM.	0.29	b MEAN HYD. MOM.	0.24	c MEAN HYD. MOM.	0.06
CHARGE pH5	5.89	CHARGE pH7	3.91	CHARGE pH9	-1.23
Δ CHARGE pH5-pH9	7.12	ISOELECTRIC POINT	8.96	BOMAN INDEX	1.72
ΔG	24	CPP	-0,50	MLP	-6,99
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Diptera
FAMILY	Calliphoridae	GENUS	Phormia	SPECIES	Phormia terranovae
DATE	1989
TITLE PAPER	Insect immunity: isolation from immune blood of the dipteran Phormia terranovae of two insect antibacterial peptides with sequence homology to rabbit lung macrophage bactericidal peptides