Back to Resultset

ID	2352	NAME	Drosophila defensin   Blast NCBI-PROT
LENGTH	40	DISULFIDE BRIDGE	3		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\ATCDLLSKWNWNHTACAGHCIAKGFKGGYCNDKAVCVCRN.pdb REMARK YASARA Written on: Wed May 14 19:20:42 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 584 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 LYS TRP ASN TRP ASN HIS SEQRES 2 A 40 THR ALA CYS ALA GLY HIS CYS ILE ALA LYS GLY PHE LYS SEQRES 3 A 40 GLY GLY TYR CYS ASN ASP LYS ALA 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 -6.040 -14.687 38.963 1.00-20.35 N ATOM 2 1H ALA A 1 -6.676 -14.355 39.675 1.00-20.35 H ATOM 3 2H ALA A 1 -6.346 -14.354 38.061 1.00-20.35 H ATOM 4 3H ALA A 1 -5.117 -14.320 39.160 1.00-20.35 H ATOM 5 CA ALA A 1 -5.996 -16.181 38.977 1.00-20.35 C ATOM 6 HA ALA A 1 -6.998 -16.550 38.759 1.00-20.35 H ATOM 7 C ALA A 1 -5.604 -16.671 40.371 1.00-20.35 C ATOM 8 O ALA A 1 -5.926 -16.004 41.347 1.00-20.35 O ATOM 9 CB ALA A 1 -5.021 -16.709 37.881 1.00-20.35 C ATOM 10 1HB ALA A 1 -5.287 -16.279 36.913 1.00-20.35 H ATOM 11 2HB ALA A 1 -5.091 -17.795 37.803 1.00-20.35 H ATOM 12 3HB ALA A 1 -3.993 -16.425 38.121 1.00-20.35 H ATOM 13 N THR A 2 -4.914 -17.803 40.490 1.00 13.60 N ATOM 14 H THR A 2 -4.658 -18.347 39.679 1.00 13.60 H ATOM 15 CA THR A 2 -4.456 -18.301 41.793 1.00 13.60 C ATOM 16 HA THR A 2 -5.280 -18.303 42.506 1.00 13.60 H ATOM 17 C THR A 2 -3.360 -17.400 42.346 1.00 13.60 C ATOM 18 O THR A 2 -3.218 -17.276 43.554 1.00 13.60 O ATOM 19 CB THR A 2 -3.880 -19.720 41.661 1.00 13.60 C ATOM 20 HB THR A 2 -3.345 -19.992 42.571 1.00 13.60 H ATOM 21 OG1 THR A 2 -3.002 -19.744 40.532 1.00 13.60 O ATOM 22 HG1 THR A 2 -2.586 -20.612 40.497 1.00 13.60 H ATOM 23 CG2 THR A 2 -4.969 -20.744 41.388 1.00 13.60 C ATOM 24 1HG2 THR A 2 -4.520 -21.735 41.312 1.00 13.60 H ATOM 25 2HG2 THR A 2 -5.487 -20.517 40.458 1.00 13.60 H ATOM 26 3HG2 THR A 2 -5.684 -20.749 42.214 1.00 13.60 H ATOM 27 N CYS A 3 -2.672 -16.710 41.448 1.00 14.88 N ATOM 28 H CYS A 3 -2.736 -16.955 40.476 1.00 14.88 H ATOM 29 CA CYS A 3 -1.934 -15.504 41.786 1.00 14.88 C ATOM 30 HA CYS A 3 -1.988 -15.332 42.858 1.00 14.88 H ATOM 31 C CYS A 3 -2.652 -14.383 41.059 1.00 14.88 C ATOM 32 O CYS A 3 -3.140 -14.589 39.940 1.00 14.88 O ATOM 33 CB CYS A 3 -0.475 -15.588 41.349 1.00 14.88 C ATOM 34 1HB CYS A 3 -0.432 -15.741 40.271 1.00 14.88 H ATOM 35 2HB CYS A 3 0.020 -14.646 41.590 1.00 14.88 H ATOM 36 SG CYS A 3 0.401 -16.945 42.178 1.00 14.88 S ATOM 37 N ASP A 4 -2.793 -13.249 41.724 1.00 29.46 N ATOM 38 H ASP A 4 -2.377 -13.163 42.653 1.00 29.46 H ATOM 39 CA ASP A 4 -3.574 -12.121 41.223 1.00 29.46 C ATOM 40 HA ASP A 4 -3.361 -11.943 40.169 1.00 29.46 H ATOM 41 C ASP A 4 -3.263 -10.882 42.051 1.00 29.46 C ATOM 42 O ASP A 4 -3.506 -10.902 43.241 1.00 29.46 O ATOM 43 CB ASP A 4 -5.057 -12.433 41.398 1.00 29.46 C ATOM 44 1HB ASP A 4 -5.253 -13.424 41.011 1.00 29.46 H ATOM 45 2HB ASP A 4 -5.317 -12.440 42.448 1.00 29.46 H ATOM 46 CG ASP A 4 -5.932 -11.455 40.674 1.00 29.46 C ATOM 47 OD1 ASP A 4 -6.489 -11.857 39.631 1.00 29.46 O ATOM 48 OD2 ASP A 4 -6.061 -10.295 41.127 1.00 29.46 O ATOM 49 N LEU A 5 -2.708 -9.830 41.468 1.00-10.37 N ATOM 50 H LEU A 5 -2.544 -9.826 40.476 1.00-10.37 H ATOM 51 CA LEU A 5 -2.289 -8.675 42.270 1.00-10.37 C ATOM 52 HA LEU A 5 -1.723 -9.055 43.115 1.00-10.37 H ATOM 53 C LEU A 5 -3.403 -7.803 42.853 1.00-10.37 C ATOM 54 O LEU A 5 -3.183 -7.051 43.803 1.00-10.37 O ATOM 55 CB LEU A 5 -1.368 -7.770 41.446 1.00-10.37 C ATOM 56 1HB LEU A 5 -1.453 -8.054 40.398 1.00-10.37 H ATOM 57 2HB LEU A 5 -1.724 -6.744 41.543 1.00-10.37 H ATOM 58 CG LEU A 5 0.115 -7.793 41.845 1.00-10.37 C ATOM 59 HG LEU A 5 0.467 -8.819 41.787 1.00-10.37 H ATOM 60 CD1 LEU A 5 0.911 -6.952 40.850 1.00-10.37 C ATOM 61 1HD1 LEU A 5 1.969 -6.979 41.113 1.00-10.37 H ATOM 62 2HD1 LEU A 5 0.564 -5.918 40.864 1.00-10.37 H ATOM 63 3HD1 LEU A 5 0.797 -7.363 39.846 1.00-10.37 H ATOM 64 CD2 LEU A 5 0.365 -7.274 43.266 1.00-10.37 C ATOM 65 1HD2 LEU A 5 1.435 -7.255 43.470 1.00-10.37 H ATOM 66 2HD2 LEU A 5 -0.113 -7.930 43.994 1.00-10.37 H ATOM 67 3HD2 LEU A 5 -0.045 -6.269 43.378 1.00-10.37 H ATOM 68 N LEU A 6 -4.590 -7.859 42.268 1.00-11.10 N ATOM 69 H LEU A 6 -4.759 -8.516 41.515 1.00-11.10 H ATOM 70 CA LEU A 6 -5.685 -7.004 42.723 1.00-11.10 C ATOM 71 HA LEU A 6 -5.294 -6.041 43.053 1.00-11.10 H ATOM 72 C LEU A 6 -6.362 -7.695 43.893 1.00-11.10 C ATOM 73 O LEU A 6 -6.869 -7.072 44.828 1.00-11.10 O ATOM 74 CB LEU A 6 -6.707 -6.794 41.601 1.00-11.10 C ATOM 75 1HB LEU A 6 -7.119 -7.770 41.342 1.00-11.10 H ATOM 76 2HB LEU A 6 -7.520 -6.188 42.000 1.00-11.10 H ATOM 77 CG LEU A 6 -6.218 -6.141 40.299 1.00-11.10 C ATOM 78 HG LEU A 6 -5.386 -6.725 39.906 1.00-11.10 H ATOM 79 CD1 LEU A 6 -7.340 -6.165 39.263 1.00-11.10 C ATOM 80 1HD1 LEU A 6 -6.985 -5.742 38.324 1.00-11.10 H ATOM 81 2HD1 LEU A 6 -8.197 -5.591 39.620 1.00-11.10 H ATOM 82 3HD1 LEU A 6 -7.648 -7.197 39.084 1.00-11.10 H ATOM 83 CD2 LEU A 6 -5.738 -4.703 40.498 1.00-11.10 C ATOM 84 1HD2 LEU A 6 -5.421 -4.285 39.543 1.00-11.10 H ATOM 85 2HD2 LEU A 6 -4.887 -4.691 41.180 1.00-11.10 H ATOM 86 3HD2 LEU A 6 -6.542 -4.095 40.912 1.00-11.10 H ATOM 87 N SER A 7 -6.359 -9.017 43.842 1.00 37.35 N ATOM 88 H SER A 7 -5.893 -9.485 43.070 1.00 37.35 H ATOM 89 CA SER A 7 -7.015 -9.813 44.866 1.00 37.35 C ATOM 90 HA SER A 7 -8.029 -9.438 44.993 1.00 37.35 H ATOM 91 C SER A 7 -6.284 -9.692 46.194 1.00 37.35 C ATOM 92 O SER A 7 -5.177 -10.194 46.371 1.00 37.35 O ATOM 93 CB SER A 7 -7.084 -11.271 44.440 1.00 37.35 C ATOM 94 1HB SER A 7 -6.074 -11.637 44.287 1.00 37.35 H ATOM 95 2HB SER A 7 -7.563 -11.855 45.226 1.00 37.35 H ATOM 96 OG SER A 7 -7.823 -11.401 43.238 1.00 37.35 O ATOM 97 HG SER A 7 -7.396 -10.869 42.546 1.00 37.35 H ATOM 98 N LYS A 8 -6.960 -9.015 47.120 1.00 16.16 N ATOM 99 H LYS A 8 -7.850 -8.625 46.843 1.00 16.16 H ATOM 100 CA LYS A 8 -6.492 -8.727 48.485 1.00 16.16 C ATOM 101 HA LYS A 8 -7.304 -8.226 49.011 1.00 16.16 H ATOM 102 C LYS A 8 -5.302 -7.763 48.497 1.00 16.16 C ATOM 103 O LYS A 8 -4.640 -7.657 49.522 1.00 16.16 O ATOM 104 CB LYS A 8 -6.138 -10.010 49.265 1.00 16.16 C ATOM 105 1HB LYS A 8 -5.224 -10.420 48.841 1.00 16.16 H ATOM 106 2HB LYS A 8 -5.929 -9.751 50.303 1.00 16.16 H ATOM 107 CG LYS A 8 -7.195 -11.114 49.236 1.00 16.16 C ATOM 108 1HG LYS A 8 -8.083 -10.786 49.777 1.00 16.16 H ATOM 109 2HG LYS A 8 -7.463 -11.331 48.204 1.00 16.16 H ATOM 110 CD LYS A 8 -6.640 -12.390 49.867 1.00 16.16 C ATOM 111 1HD LYS A 8 -5.730 -12.679 49.339 1.00 16.16 H ATOM 112 2HD LYS A 8 -6.389 -12.187 50.909 1.00 16.16 H ATOM 113 CE LYS A 8 -7.635 -13.550 49.808 1.00 16.16 C ATOM 114 1HE LYS A 8 -7.214 -14.395 50.355 1.00 16.16 H ATOM 115 2HE LYS A 8 -8.562 -13.247 50.301 1.00 16.16 H ATOM 116 NZ LYS A 8 -7.937 -13.986 48.402 1.00 16.16 N ATOM 117 1HZ LYS A 8 -8.539 -14.797 48.407 1.00 16.16 H ATOM 118 2HZ LYS A 8 -7.074 -14.224 47.915 1.00 16.16 H ATOM 119 3HZ LYS A 8 -8.385 -13.238 47.894 1.00 16.16 H ATOM 120 N TRP A 9 -5.054 -7.092 47.374 1.00-11.97 N ATOM 121 H TRP A 9 -5.656 -7.236 46.571 1.00-11.97 H ATOM 122 CA TRP A 9 -3.940 -6.145 47.206 1.00-11.97 C ATOM 123 HA TRP A 9 -3.870 -5.912 46.143 1.00-11.97 H ATOM 124 C TRP A 9 -2.608 -6.769 47.615 1.00-11.97 C ATOM 125 O TRP A 9 -1.797 -6.225 48.361 1.00-11.97 O ATOM 126 CB TRP A 9 -4.239 -4.832 47.931 1.00-11.97 C ATOM 127 1HB TRP A 9 -4.188 -4.988 49.009 1.00-11.97 H ATOM 128 2HB TRP A 9 -3.493 -4.092 47.643 1.00-11.97 H ATOM 129 CG TRP A 9 -5.607 -4.331 47.566 1.00-11.97 C ATOM 130 CD1 TRP A 9 -6.694 -4.248 48.378 1.00-11.97 C ATOM 131 HD1 TRP A 9 -6.685 -4.521 49.426 1.00-11.97 H ATOM 132 CD2 TRP A 9 -6.054 -3.870 46.276 1.00-11.97 C ATOM 133 NE1 TRP A 9 -7.791 -3.786 47.702 1.00-11.97 N ATOM 134 HE1 TRP A 9 -8.698 -3.641 48.116 1.00-11.97 H ATOM 135 CE2 TRP A 9 -7.439 -3.558 46.399 1.00-11.97 C ATOM 136 CE3 TRP A 9 -5.431 -3.706 45.021 1.00-11.97 C ATOM 137 HE3 TRP A 9 -4.385 -3.943 44.896 1.00-11.97 H ATOM 138 CZ2 TRP A 9 -8.208 -3.093 45.310 1.00-11.97 C ATOM 139 HZ2 TRP A 9 -9.255 -2.863 45.430 1.00-11.97 H ATOM 140 CZ3 TRP A 9 -6.197 -3.233 43.925 1.00-11.97 C ATOM 141 HZ3 TRP A 9 -5.726 -3.095 42.965 1.00-11.97 H ATOM 142 CH2 TRP A 9 -7.583 -2.940 44.084 1.00-11.97 C ATOM 143 HH2 TRP A 9 -8.153 -2.589 43.235 1.00-11.97 H ATOM 144 N ASN A 10 -2.452 -7.993 47.146 1.00 19.56 N ATOM 145 H ASN A 10 -3.087 -8.323 46.419 1.00 19.56 H ATOM 146 CA ASN A 10 -1.426 -8.930 47.566 1.00 19.56 C ATOM 147 HA ASN A 10 -0.488 -8.440 47.827 1.00 19.56 H ATOM 148 C ASN A 10 -1.329 -9.702 46.263 1.00 19.56 C ATOM 149 O ASN A 10 -2.216 -9.547 45.452 1.00 19.56 O ATOM 150 CB ASN A 10 -1.997 -9.774 48.717 1.00 19.56 C ATOM 151 1HB ASN A 10 -2.154 -9.128 49.580 1.00 19.56 H ATOM 152 2HB ASN A 10 -2.961 -10.174 48.408 1.00 19.56 H ATOM 153 CG ASN A 10 -1.116 -10.927 49.109 1.00 19.56 C ATOM 154 OD1 ASN A 10 -1.149 -11.981 48.493 1.00 19.56 O ATOM 155 ND2 ASN A 10 -0.338 -10.756 50.136 1.00 19.56 N ATOM 156 1HD2 ASN A 10 0.235 -11.531 50.432 1.00 19.56 H ATOM 157 2HD2 ASN A 10 -0.326 -9.873 50.621 1.00 19.56 H ATOM 158 N TRP A 11 -0.353 -10.570 46.060 1.00 -7.21 N ATOM 159 H TRP A 11 0.353 -10.707 46.762 1.00 -7.21 H ATOM 160 CA TRP A 11 -0.316 -11.417 44.864 1.00 -7.21 C ATOM 161 HA TRP A 11 -0.572 -10.814 43.992 1.00 -7.21 H ATOM 162 C TRP A 11 -1.322 -12.579 44.934 1.00 -7.21 C ATOM 163 O TRP A 11 -1.154 -13.568 44.235 1.00 -7.21 O ATOM 164 CB TRP A 11 1.103 -11.968 44.688 1.00 -7.21 C ATOM 165 1HB TRP A 11 1.420 -12.439 45.618 1.00 -7.21 H ATOM 166 2HB TRP A 11 1.101 -12.719 43.901 1.00 -7.21 H ATOM 167 CG TRP A 11 2.101 -10.924 44.294 1.00 -7.21 C ATOM 168 CD1 TRP A 11 2.821 -10.105 45.112 1.00 -7.21 C ATOM 169 HD1 TRP A 11 2.761 -10.120 46.191 1.00 -7.21 H ATOM 170 CD2 TRP A 11 2.511 -10.584 42.957 1.00 -7.21 C ATOM 171 NE1 TRP A 11 3.620 -9.258 44.394 1.00 -7.21 N ATOM 172 HE1 TRP A 11 4.229 -8.561 44.798 1.00 -7.21 H ATOM 173 CE2 TRP A 11 3.444 -9.512 43.061 1.00 -7.21 C ATOM 174 CE3 TRP A 11 2.178 -11.071 41.675 1.00 -7.21 C ATOM 175 HE3 TRP A 11 1.482 -11.888 41.566 1.00 -7.21 H ATOM 176 CZ2 TRP A 11 4.018 -8.899 41.930 1.00 -7.21 C ATOM 177 HZ2 TRP A 11 4.716 -8.082 42.034 1.00 -7.21 H ATOM 178 CZ3 TRP A 11 2.763 -10.466 40.534 1.00 -7.21 C ATOM 179 HZ3 TRP A 11 2.521 -10.829 39.546 1.00 -7.21 H ATOM 180 CH2 TRP A 11 3.672 -9.378 40.679 1.00 -7.21 C ATOM 181 HH2 TRP A 11 4.111 -8.932 39.796 1.00 -7.21 H ATOM 182 N ASN A 12 -2.339 -12.465 45.781 1.00 41.77 N ATOM 183 H ASN A 12 -2.470 -11.562 46.216 1.00 41.77 H ATOM 184 CA ASN A 12 -3.306 -13.517 46.117 1.00 41.77 C ATOM 185 HA ASN A 12 -3.936 -13.122 46.913 1.00 41.77 H ATOM 186 C ASN A 12 -2.655 -14.803 46.627 1.00 41.77 C ATOM 187 O ASN A 12 -3.126 -15.905 46.348 1.00 41.77 O ATOM 188 CB ASN A 12 -4.202 -13.816 44.912 1.00 41.77 C ATOM 189 1HB ASN A 12 -4.406 -12.884 44.406 1.00 41.77 H ATOM 190 2HB ASN A 12 -3.679 -14.479 44.226 1.00 41.77 H ATOM 191 CG ASN A 12 -5.515 -14.439 45.287 1.00 41.77 C ATOM 192 OD1 ASN A 12 -5.951 -14.407 46.438 1.00 41.77 O ATOM 193 ND2 ASN A 12 -6.199 -14.969 44.309 1.00 41.77 N ATOM 194 1HD2 ASN A 12 -7.102 -15.361 44.496 1.00 41.77 H ATOM 195 2HD2 ASN A 12 -5.813 -14.995 43.374 1.00 41.77 H ATOM 196 N HIS A 13 -1.559 -14.696 47.368 1.00 20.58 N ATOM 197 H HIS A 13 -1.250 -13.781 47.699 1.00 20.58 H ATOM 198 CA HIS A 13 -0.744 -15.883 47.645 1.00 20.58 C ATOM 199 HA HIS A 13 -0.536 -16.340 46.681 1.00 20.58 H ATOM 200 C HIS A 13 -1.439 -16.942 48.488 1.00 20.58 C ATOM 201 O HIS A 13 -1.080 -18.110 48.436 1.00 20.58 O ATOM 202 CB HIS A 13 0.598 -15.524 48.289 1.00 20.58 C ATOM 203 1HB HIS A 13 1.293 -16.339 48.088 1.00 20.58 H ATOM 204 2HB HIS A 13 0.989 -14.616 47.831 1.00 20.58 H ATOM 205 CG HIS A 13 0.532 -15.356 49.776 1.00 20.58 C ATOM 206 ND1 HIS A 13 -0.008 -14.244 50.386 1.00 20.58 N ATOM 207 CD2 HIS A 13 0.944 -16.197 50.767 1.00 20.58 C ATOM 208 HD2 HIS A 13 1.396 -17.166 50.594 1.00 20.58 H ATOM 209 CE1 HIS A 13 0.131 -14.453 51.730 1.00 20.58 C ATOM 210 HE1 HIS A 13 -0.187 -13.748 52.486 1.00 20.58 H ATOM 211 NE2 HIS A 13 0.708 -15.649 52.002 1.00 20.58 N ATOM 212 HE2 HIS A 13 0.923 -16.040 52.910 1.00 20.58 H ATOM 213 N THR A 14 -2.471 -16.569 49.228 1.00 14.16 N ATOM 214 H THR A 14 -2.749 -15.601 49.251 1.00 14.16 H ATOM 215 CA THR A 14 -3.224 -17.542 50.010 1.00 14.16 C ATOM 216 HA THR A 14 -2.521 -18.193 50.529 1.00 14.16 H ATOM 217 C THR A 14 -4.099 -18.433 49.129 1.00 14.16 C ATOM 218 O THR A 14 -4.387 -19.572 49.498 1.00 14.16 O ATOM 219 CB THR A 14 -4.098 -16.837 51.063 1.00 14.16 C ATOM 220 HB THR A 14 -4.729 -17.568 51.568 1.00 14.16 H ATOM 221 OG1 THR A 14 -4.903 -15.835 50.433 1.00 14.16 O ATOM 222 HG1 THR A 14 -5.324 -15.338 51.138 1.00 14.16 H ATOM 223 CG2 THR A 14 -3.244 -16.109 52.090 1.00 14.16 C ATOM 224 1HG2 THR A 14 -3.884 -15.707 52.876 1.00 14.16 H ATOM 225 2HG2 THR A 14 -2.697 -15.291 51.620 1.00 14.16 H ATOM 226 3HG2 THR A 14 -2.535 -16.805 52.541 1.00 14.16 H ATOM 227 N ALA A 15 -4.480 -17.967 47.946 1.00 3.64 N ATOM 228 H ALA A 15 -4.208 -17.035 47.648 1.00 3.64 H ATOM 229 CA ALA A 15 -5.250 -18.805 47.031 1.00 3.64 C ATOM 230 HA ALA A 15 -6.012 -19.345 47.594 1.00 3.64 H ATOM 231 C ALA A 15 -4.298 -19.819 46.403 1.00 3.64 C ATOM 232 O ALA A 15 -4.632 -20.988 46.264 1.00 3.64 O ATOM 233 CB ALA A 15 -5.924 -17.958 45.957 1.00 3.64 C ATOM 234 1HB ALA A 15 -6.589 -17.235 46.426 1.00 3.64 H ATOM 235 2HB ALA A 15 -6.500 -18.604 45.294 1.00 3.64 H ATOM 236 3HB ALA A 15 -5.168 -17.429 45.373 1.00 3.64 H ATOM 237 N CYS A 16 -3.093 -19.375 46.078 1.00 11.41 N ATOM 238 H CYS A 16 -2.891 -18.386 46.162 1.00 11.41 H ATOM 239 CA CYS A 16 -2.043 -20.269 45.593 1.00 11.41 C ATOM 240 HA CYS A 16 -2.391 -20.796 44.705 1.00 11.41 H ATOM 241 C CYS A 16 -1.685 -21.311 46.652 1.00 11.41 C ATOM 242 O CYS A 16 -1.534 -22.495 46.342 1.00 11.41 O ATOM 243 CB CYS A 16 -0.812 -19.440 45.232 1.00 11.41 C ATOM 244 1HB CYS A 16 -1.060 -18.818 44.372 1.00 11.41 H ATOM 245 2HB CYS A 16 -0.591 -18.782 46.069 1.00 11.41 H ATOM 246 SG CYS A 16 0.703 -20.380 44.868 1.00 11.41 S ATOM 247 N ALA A 17 -1.603 -20.893 47.907 1.00 2.57 N ATOM 248 H ALA A 17 -1.666 -19.900 48.116 1.00 2.57 H ATOM 249 CA ALA A 17 -1.382 -21.832 48.996 1.00 2.57 C ATOM 250 HA ALA A 17 -0.456 -22.361 48.795 1.00 2.57 H ATOM 251 C ALA A 17 -2.491 -22.881 49.048 1.00 2.57 C ATOM 252 O ALA A 17 -2.192 -24.064 49.016 1.00 2.57 O ATOM 253 CB ALA A 17 -1.243 -21.091 50.332 1.00 2.57 C ATOM 254 1HB ALA A 17 -0.437 -20.357 50.260 1.00 2.57 H ATOM 255 2HB ALA A 17 -1.008 -21.807 51.120 1.00 2.57 H ATOM 256 3HB ALA A 17 -2.173 -20.583 50.579 1.00 2.57 H ATOM 257 N GLY A 18 -3.757 -22.483 49.063 1.00 -7.19 N ATOM 258 H GLY A 18 -3.982 -21.491 49.063 1.00 -7.19 H ATOM 259 CA GLY A 18 -4.830 -23.469 49.113 1.00 -7.19 C ATOM 260 1HA GLY A 18 -4.692 -24.083 50.003 1.00 -7.19 H ATOM 261 2HA GLY A 18 -5.789 -22.957 49.187 1.00 -7.19 H ATOM 262 C GLY A 18 -4.858 -24.387 47.904 1.00 -7.19 C ATOM 263 O GLY A 18 -5.061 -25.595 48.024 1.00 -7.19 O ATOM 264 N HIS A 19 -4.576 -23.825 46.738 1.00 1.39 N ATOM 265 H HIS A 19 -4.407 -22.820 46.706 1.00 1.39 H ATOM 266 CA HIS A 19 -4.506 -24.566 45.480 1.00 1.39 C ATOM 267 HA HIS A 19 -5.469 -25.034 45.280 1.00 1.39 H ATOM 268 C HIS A 19 -3.451 -25.670 45.520 1.00 1.39 C ATOM 269 O HIS A 19 -3.644 -26.735 44.938 1.00 1.39 O ATOM 270 CB HIS A 19 -4.191 -23.565 44.362 1.00 1.39 C ATOM 271 1HB HIS A 19 -5.003 -22.840 44.304 1.00 1.39 H ATOM 272 2HB HIS A 19 -3.278 -23.034 44.614 1.00 1.39 H ATOM 273 CG HIS A 19 -3.994 -24.183 43.015 1.00 1.39 C ATOM 274 ND1 HIS A 19 -4.980 -24.799 42.283 1.00 1.39 N ATOM 275 HD1 HIS A 19 -5.941 -24.929 42.570 1.00 1.39 H ATOM 276 CD2 HIS A 19 -2.881 -24.254 42.239 1.00 1.39 C ATOM 277 HD2 HIS A 19 -1.914 -23.851 42.512 1.00 1.39 H ATOM 278 CE1 HIS A 19 -4.450 -25.194 41.124 1.00 1.39 C ATOM 279 HE1 HIS A 19 -5.002 -25.699 40.341 1.00 1.39 H ATOM 280 NE2 HIS A 19 -3.167 -24.897 41.055 1.00 1.39 N ATOM 281 N CYS A 20 -2.352 -25.448 46.224 1.00 10.92 N ATOM 282 H CYS A 20 -2.216 -24.545 46.673 1.00 10.92 H ATOM 283 CA CYS A 20 -1.316 -26.468 46.357 1.00 10.92 C ATOM 284 HA CYS A 20 -1.441 -27.182 45.547 1.00 10.92 H ATOM 285 C CYS A 20 -1.348 -27.309 47.633 1.00 10.92 C ATOM 286 O CYS A 20 -0.859 -28.434 47.617 1.00 10.92 O ATOM 287 CB CYS A 20 0.040 -25.822 46.135 1.00 10.92 C ATOM 288 1HB CYS A 20 0.084 -24.861 46.648 1.00 10.92 H ATOM 289 2HB CYS A 20 0.818 -26.472 46.526 1.00 10.92 H ATOM 290 SG CYS A 20 0.308 -25.612 44.348 1.00 10.92 S ATOM 291 N ILE A 21 -2.020 -26.860 48.681 1.00 0.00 N ATOM 292 H ILE A 21 -2.340 -25.893 48.700 1.00 0.00 H ATOM 293 CA ILE A 21 -2.312 -27.715 49.838 1.00 0.00 C ATOM 294 HA ILE A 21 -1.403 -28.212 50.160 1.00 0.00 H ATOM 295 C ILE A 21 -3.271 -28.809 49.374 1.00 0.00 C ATOM 296 O ILE A 21 -3.142 -29.968 49.767 1.00 0.00 O ATOM 297 CB ILE A 21 -2.857 -26.881 51.037 1.00 0.00 C ATOM 298 HB ILE A 21 -3.666 -26.246 50.678 1.00 0.00 H ATOM 299 CG1 ILE A 21 -1.720 -25.999 51.599 1.00 0.00 C ATOM 300 1HG1 ILE A 21 -1.032 -26.637 52.155 1.00 0.00 H ATOM 301 2HG1 ILE A 21 -1.159 -25.569 50.772 1.00 0.00 H ATOM 302 CG2 ILE A 21 -3.406 -27.791 52.168 1.00 0.00 C ATOM 303 1HG2 ILE A 21 -3.764 -27.188 53.001 1.00 0.00 H ATOM 304 2HG2 ILE A 21 -2.621 -28.465 52.520 1.00 0.00 H ATOM 305 3HG2 ILE A 21 -4.243 -28.385 51.798 1.00 0.00 H ATOM 306 CD1 ILE A 21 -2.159 -24.843 52.509 1.00 0.00 C ATOM 307 1HD1 ILE A 21 -1.283 -24.263 52.797 1.00 0.00 H ATOM 308 2HD1 ILE A 21 -2.634 -25.231 53.410 1.00 0.00 H ATOM 309 3HD1 ILE A 21 -2.857 -24.197 51.975 1.00 0.00 H ATOM 310 N ALA A 22 -4.134 -28.491 48.418 1.00 1.30 N ATOM 311 H ALA A 22 -4.224 -27.521 48.131 1.00 1.30 H ATOM 312 CA ALA A 22 -4.977 -29.494 47.762 1.00 1.30 C ATOM 313 HA ALA A 22 -5.530 -30.029 48.536 1.00 1.30 H ATOM 314 C ALA A 22 -4.193 -30.551 46.957 1.00 1.30 C ATOM 315 O ALA A 22 -4.764 -31.531 46.492 1.00 1.30 O ATOM 316 CB ALA A 22 -5.989 -28.777 46.859 1.00 1.30 C ATOM 317 1HB ALA A 22 -6.559 -28.053 47.443 1.00 1.30 H ATOM 318 2HB ALA A 22 -6.675 -29.511 46.431 1.00 1.30 H ATOM 319 3HB ALA A 22 -5.468 -28.264 46.051 1.00 1.30 H ATOM 320 N LYS A 23 -2.892 -30.346 46.785 1.00 -9.96 N ATOM 321 H LYS A 23 -2.478 -29.508 47.176 1.00 -9.96 H ATOM 322 CA LYS A 23 -2.003 -31.276 46.077 1.00 -9.96 C ATOM 323 HA LYS A 23 -2.589 -32.083 45.634 1.00 -9.96 H ATOM 324 C LYS A 23 -0.978 -31.881 47.035 1.00 -9.96 C ATOM 325 O LYS A 23 -0.068 -32.580 46.609 1.00 -9.96 O ATOM 326 CB LYS A 23 -1.248 -30.535 44.973 1.00 -9.96 C ATOM 327 1HB LYS A 23 -0.616 -29.796 45.452 1.00 -9.96 H ATOM 328 2HB LYS A 23 -0.606 -31.238 44.441 1.00 -9.96 H ATOM 329 CG LYS A 23 -2.123 -29.813 43.968 1.00 -9.96 C ATOM 330 1HG LYS A 23 -2.716 -30.532 43.402 1.00 -9.96 H ATOM 331 2HG LYS A 23 -2.788 -29.132 44.492 1.00 -9.96 H ATOM 332 CD LYS A 23 -1.249 -29.001 43.032 1.00 -9.96 C ATOM 333 1HD LYS A 23 -0.585 -28.378 43.630 1.00 -9.96 H ATOM 334 2HD LYS A 23 -0.650 -29.672 42.416 1.00 -9.96 H ATOM 335 CE LYS A 23 -2.098 -28.102 42.153 1.00 -9.96 C ATOM 336 1HE LYS A 23 -2.751 -28.714 41.528 1.00 -9.96 H ATOM 337 2HE LYS A 23 -2.720 -27.472 42.793 1.00 -9.96 H ATOM 338 NZ LYS A 23 -1.239 -27.225 41.294 1.00 -9.96 N ATOM 339 1HZ LYS A 23 -1.824 -26.546 40.817 1.00 -9.96 H ATOM 340 2HZ LYS A 23 -0.739 -27.780 40.615 1.00 -9.96 H ATOM 341 3HZ LYS A 23 -0.580 -26.723 41.874 1.00 -9.96 H ATOM 342 N GLY A 24 -1.096 -31.575 48.320 1.00 -9.27 N ATOM 343 H GLY A 24 -1.865 -30.991 48.636 1.00 -9.27 H ATOM 344 CA GLY A 24 -0.167 -32.081 49.320 1.00 -9.27 C ATOM 345 1HA GLY A 24 -0.711 -32.167 50.259 1.00 -9.27 H ATOM 346 2HA GLY A 24 0.151 -33.082 49.028 1.00 -9.27 H ATOM 347 C GLY A 24 1.079 -31.257 49.596 1.00 -9.27 C ATOM 348 O GLY A 24 1.870 -31.627 50.472 1.00 -9.27 O ATOM 349 N PHE A 25 1.268 -30.135 48.915 1.00 5.64 N ATOM 350 H PHE A 25 0.592 -29.845 48.221 1.00 5.64 H ATOM 351 CA PHE A 25 2.384 -29.240 49.231 1.00 5.64 C ATOM 352 HA PHE A 25 3.317 -29.795 49.345 1.00 5.64 H ATOM 353 C PHE A 25 2.005 -28.561 50.535 1.00 5.64 C ATOM 354 O PHE A 25 0.839 -28.259 50.751 1.00 5.64 O ATOM 355 CB PHE A 25 2.547 -28.127 48.197 1.00 5.64 C ATOM 356 1HB PHE A 25 1.591 -27.632 48.067 1.00 5.64 H ATOM 357 2HB PHE A 25 3.248 -27.397 48.590 1.00 5.64 H ATOM 358 CG PHE A 25 3.059 -28.586 46.865 1.00 5.64 C ATOM 359 CD1 PHE A 25 2.168 -28.875 45.818 1.00 5.64 C ATOM 360 HD1 PHE A 25 1.109 -28.802 45.989 1.00 5.64 H ATOM 361 CD2 PHE A 25 4.440 -28.684 46.634 1.00 5.64 C ATOM 362 HD2 PHE A 25 5.136 -28.479 47.436 1.00 5.64 H ATOM 363 CE1 PHE A 25 2.645 -29.250 44.539 1.00 5.64 C ATOM 364 HE1 PHE A 25 1.952 -29.483 43.747 1.00 5.64 H ATOM 365 CE2 PHE A 25 4.939 -29.043 45.359 1.00 5.64 C ATOM 366 HE2 PHE A 25 6.005 -29.107 45.195 1.00 5.64 H ATOM 367 CZ PHE A 25 4.038 -29.328 44.308 1.00 5.64 C ATOM 368 HZ PHE A 25 4.415 -29.613 43.336 1.00 5.64 H ATOM 369 N LYS A 26 2.958 -28.274 51.406 1.00 0.13 N ATOM 370 H LYS A 26 3.929 -28.551 51.220 1.00 0.13 H ATOM 371 CA LYS A 26 2.636 -27.572 52.653 1.00 0.13 C ATOM 372 HA LYS A 26 1.603 -27.796 52.922 1.00 0.13 H ATOM 373 C LYS A 26 2.696 -26.061 52.464 1.00 0.13 C ATOM 374 O LYS A 26 2.418 -25.308 53.390 1.00 0.13 O ATOM 375 CB LYS A 26 3.512 -28.086 53.798 1.00 0.13 C ATOM 376 1HB LYS A 26 4.556 -27.991 53.512 1.00 0.13 H ATOM 377 2HB LYS A 26 3.338 -27.478 54.686 1.00 0.13 H ATOM 378 CG LYS A 26 3.177 -29.552 54.135 1.00 0.13 C ATOM 379 1HG LYS A 26 2.564 -29.574 55.036 1.00 0.13 H ATOM 380 2HG LYS A 26 2.579 -29.973 53.330 1.00 0.13 H ATOM 381 CD LYS A 26 4.403 -30.442 54.351 1.00 0.13 C ATOM 382 1HD LYS A 26 5.288 -29.956 53.942 1.00 0.13 H ATOM 383 2HD LYS A 26 4.555 -30.577 55.422 1.00 0.13 H ATOM 384 CE LYS A 26 4.246 -31.817 53.680 1.00 0.13 C ATOM 385 1HE LYS A 26 5.103 -32.430 53.962 1.00 0.13 H ATOM 386 2HE LYS A 26 3.339 -32.296 54.055 1.00 0.13 H ATOM 387 NZ LYS A 26 4.183 -31.746 52.172 1.00 0.13 N ATOM 388 1HZ LYS A 26 4.367 -32.645 51.758 1.00 0.13 H ATOM 389 2HZ LYS A 26 4.866 -31.071 51.828 1.00 0.13 H ATOM 390 3HZ LYS A 26 3.266 -31.435 51.865 1.00 0.13 H ATOM 391 N GLY A 27 2.965 -25.608 51.248 1.00 11.19 N ATOM 392 H GLY A 27 3.290 -26.233 50.520 1.00 11.19 H ATOM 393 CA GLY A 27 2.697 -24.223 50.909 1.00 11.19 C ATOM 394 1HA GLY A 27 1.711 -23.967 51.296 1.00 11.19 H ATOM 395 2HA GLY A 27 3.427 -23.585 51.406 1.00 11.19 H ATOM 396 C GLY A 27 2.703 -23.919 49.425 1.00 11.19 C ATOM 397 O GLY A 27 3.194 -24.689 48.600 1.00 11.19 O ATOM 398 N GLY A 28 2.160 -22.763 49.080 1.00 20.86 N ATOM 399 H GLY A 28 1.786 -22.140 49.784 1.00 20.86 H ATOM 400 CA GLY A 28 2.127 -22.297 47.707 1.00 20.86 C ATOM 401 1HA GLY A 28 2.886 -22.787 47.115 1.00 20.86 H ATOM 402 2HA GLY A 28 1.141 -22.435 47.264 1.00 20.86 H ATOM 403 C GLY A 28 2.451 -20.831 47.830 1.00 20.86 C ATOM 404 O GLY A 28 1.949 -20.182 48.745 1.00 20.86 O ATOM 405 N TYR A 29 3.359 -20.344 47.001 1.00-12.42 N ATOM 406 H TYR A 29 3.751 -20.931 46.269 1.00-12.42 H ATOM 407 CA TYR A 29 3.923 -19.013 47.166 1.00-12.42 C ATOM 408 HA TYR A 29 3.325 -18.447 47.878 1.00-12.42 H ATOM 409 C TYR A 29 3.926 -18.283 45.830 1.00-12.42 C ATOM 410 O TYR A 29 4.740 -18.570 44.952 1.00-12.42 O ATOM 411 CB TYR A 29 5.352 -19.142 47.712 1.00-12.42 C ATOM 412 1HB TYR A 29 5.968 -19.653 46.973 1.00-12.42 H ATOM 413 2HB TYR A 29 5.759 -18.143 47.870 1.00-12.42 H ATOM 414 CG TYR A 29 5.424 -19.923 49.014 1.00-12.42 C ATOM 415 CD1 TYR A 29 5.573 -21.329 49.009 1.00-12.42 C ATOM 416 HD1 TYR A 29 5.648 -21.855 48.068 1.00-12.42 H ATOM 417 CD2 TYR A 29 5.316 -19.269 50.258 1.00-12.42 C ATOM 418 HD2 TYR A 29 5.200 -18.194 50.293 1.00-12.42 H ATOM 419 CE1 TYR A 29 5.590 -22.065 50.221 1.00-12.42 C ATOM 420 HE1 TYR A 29 5.671 -23.142 50.209 1.00-12.42 H ATOM 421 CE2 TYR A 29 5.344 -20.009 51.476 1.00-12.42 C ATOM 422 HE2 TYR A 29 5.257 -19.497 52.423 1.00-12.42 H ATOM 423 CZ TYR A 29 5.476 -21.401 51.439 1.00-12.42 C ATOM 424 OH TYR A 29 5.488 -22.147 52.591 1.00-12.42 O ATOM 425 HH TYR A 29 5.354 -21.617 53.380 1.00-12.42 H ATOM 426 N CYS A 30 3.007 -17.346 45.658 1.00 -1.28 N ATOM 427 H CYS A 30 2.299 -17.190 46.355 1.00 -1.28 H ATOM 428 CA CYS A 30 3.056 -16.484 44.483 1.00 -1.28 C ATOM 429 HA CYS A 30 3.074 -17.097 43.585 1.00 -1.28 H ATOM 430 C CYS A 30 4.329 -15.660 44.552 1.00 -1.28 C ATOM 431 O CYS A 30 4.741 -15.221 45.627 1.00 -1.28 O ATOM 432 CB CYS A 30 1.859 -15.545 44.425 1.00 -1.28 C ATOM 433 1HB CYS A 30 1.792 -14.990 45.360 1.00 -1.28 H ATOM 434 2HB CYS A 30 2.004 -14.837 43.608 1.00 -1.28 H ATOM 435 SG CYS A 30 0.314 -16.446 44.141 1.00 -1.28 S ATOM 436 N ASN A 31 4.965 -15.470 43.411 1.00 18.42 N ATOM 437 H ASN A 31 4.574 -15.861 42.559 1.00 18.42 H ATOM 438 CA ASN A 31 6.205 -14.703 43.320 1.00 18.42 C ATOM 439 HA ASN A 31 6.463 -14.256 44.280 1.00 18.42 H ATOM 440 C ASN A 31 5.896 -13.576 42.346 1.00 18.42 C ATOM 441 O ASN A 31 4.824 -13.564 41.751 1.00 18.42 O ATOM 442 CB ASN A 31 7.356 -15.602 42.833 1.00 18.42 C ATOM 443 1HB ASN A 31 6.993 -16.231 42.022 1.00 18.42 H ATOM 444 2HB ASN A 31 8.165 -14.978 42.455 1.00 18.42 H ATOM 445 CG ASN A 31 7.940 -16.493 43.926 1.00 18.42 C ATOM 446 OD1 ASN A 31 8.933 -17.166 43.703 1.00 18.42 O ATOM 447 ND2 ASN A 31 7.367 -16.500 45.100 1.00 18.42 N ATOM 448 1HD2 ASN A 31 7.752 -17.069 45.829 1.00 18.42 H ATOM 449 2HD2 ASN A 31 6.526 -15.957 45.264 1.00 18.42 H ATOM 450 N ASP A 32 6.831 -12.657 42.154 1.00 -9.46 N ATOM 451 H ASP A 32 7.744 -12.769 42.575 1.00 -9.46 H ATOM 452 CA ASP A 32 6.626 -11.457 41.333 1.00 -9.46 C ATOM 453 HA ASP A 32 5.754 -10.929 41.711 1.00 -9.46 H ATOM 454 C ASP A 32 6.400 -11.753 39.853 1.00 -9.46 C ATOM 455 O ASP A 32 5.864 -10.950 39.103 1.00 -9.46 O ATOM 456 CB ASP A 32 7.847 -10.538 41.443 1.00 -9.46 C ATOM 457 1HB ASP A 32 7.600 -9.579 40.987 1.00 -9.46 H ATOM 458 2HB ASP A 32 8.080 -10.375 42.495 1.00 -9.46 H ATOM 459 CG ASP A 32 9.068 -11.106 40.733 1.00 -9.46 C ATOM 460 OD1 ASP A 32 9.442 -12.278 40.993 1.00 -9.46 O ATOM 461 OD2 ASP A 32 9.658 -10.414 39.881 1.00 -9.46 O ATOM 462 N LYS A 33 6.768 -12.955 39.438 1.00 6.26 N ATOM 463 H LYS A 33 7.233 -13.559 40.097 1.00 6.26 H ATOM 464 CA LYS A 33 6.537 -13.417 38.068 1.00 6.26 C ATOM 465 HA LYS A 33 6.679 -12.574 37.390 1.00 6.26 H ATOM 466 C LYS A 33 5.108 -13.929 37.868 1.00 6.26 C ATOM 467 O LYS A 33 4.827 -14.558 36.856 1.00 6.26 O ATOM 468 CB LYS A 33 7.543 -14.522 37.720 1.00 6.26 C ATOM 469 1HB LYS A 33 7.304 -15.403 38.316 1.00 6.26 H ATOM 470 2HB LYS A 33 7.420 -14.781 36.667 1.00 6.26 H ATOM 471 CG LYS A 33 9.020 -14.176 37.963 1.00 6.26 C ATOM 472 1HG LYS A 33 9.171 -13.991 39.024 1.00 6.26 H ATOM 473 2HG LYS A 33 9.623 -15.040 37.682 1.00 6.26 H ATOM 474 CD LYS A 33 9.507 -12.960 37.165 1.00 6.26 C ATOM 475 1HD LYS A 33 9.309 -13.132 36.106 1.00 6.26 H ATOM 476 2HD LYS A 33 8.965 -12.069 37.483 1.00 6.26 H ATOM 477 CE LYS A 33 11.004 -12.713 37.355 1.00 6.26 C ATOM 478 1HE LYS A 33 11.552 -13.614 37.075 1.00 6.26 H ATOM 479 2HE LYS A 33 11.308 -11.900 36.692 1.00 6.26 H ATOM 480 NZ LYS A 33 11.346 -12.336 38.767 1.00 6.26 N ATOM 481 1HZ LYS A 33 12.335 -12.175 38.872 1.00 6.26 H ATOM 482 2HZ LYS A 33 11.040 -13.052 39.413 1.00 6.26 H ATOM 483 3HZ LYS A 33 10.842 -11.486 39.030 1.00 6.26 H ATOM 484 N ALA A 34 4.263 -13.730 38.875 1.00 29.96 N ATOM 485 H ALA A 34 4.595 -13.195 39.669 1.00 29.96 H ATOM 486 CA ALA A 34 2.884 -14.231 38.966 1.00 29.96 C ATOM 487 HA ALA A 34 2.502 -13.903 39.933 1.00 29.96 H ATOM 488 C ALA A 34 2.769 -15.764 38.961 1.00 29.96 C ATOM 489 O ALA A 34 1.677 -16.323 38.857 1.00 29.96 O ATOM 490 CB ALA A 34 1.988 -13.586 37.888 1.00 29.96 C ATOM 491 1HB ALA A 34 2.090 -12.502 37.921 1.00 29.96 H ATOM 492 2HB ALA A 34 0.947 -13.857 38.068 1.00 29.96 H ATOM 493 3HB ALA A 34 2.282 -13.946 36.900 1.00 29.96 H ATOM 494 N VAL A 35 3.894 -16.446 39.103 1.00 -4.34 N ATOM 495 H VAL A 35 4.757 -15.946 39.199 1.00 -4.34 H ATOM 496 CA VAL A 35 3.913 -17.903 39.144 1.00 -4.34 C ATOM 497 HA VAL A 35 3.149 -18.287 38.469 1.00 -4.34 H ATOM 498 C VAL A 35 3.575 -18.330 40.567 1.00 -4.34 C ATOM 499 O VAL A 35 4.158 -17.831 41.534 1.00 -4.34 O ATOM 500 CB VAL A 35 5.301 -18.471 38.719 1.00 -4.34 C ATOM 501 HB VAL A 35 6.059 -18.084 39.400 1.00 -4.34 H ATOM 502 CG1 VAL A 35 5.330 -20.010 38.769 1.00 -4.34 C ATOM 503 1HG1 VAL A 35 6.310 -20.370 38.452 1.00 -4.34 H ATOM 504 2HG1 VAL A 35 4.567 -20.427 38.110 1.00 -4.34 H ATOM 505 3HG1 VAL A 35 5.155 -20.360 39.786 1.00 -4.34 H ATOM 506 CG2 VAL A 35 5.652 -18.024 37.291 1.00 -4.34 C ATOM 507 1HG2 VAL A 35 6.620 -18.434 37.000 1.00 -4.34 H ATOM 508 2HG2 VAL A 35 5.709 -16.940 37.233 1.00 -4.34 H ATOM 509 3HG2 VAL A 35 4.892 -18.369 36.588 1.00 -4.34 H ATOM 510 N CYS A 36 2.647 -19.269 40.674 1.00 12.91 N ATOM 511 H CYS A 36 2.180 -19.581 39.839 1.00 12.91 H ATOM 512 CA CYS A 36 2.315 -19.933 41.931 1.00 12.91 C ATOM 513 HA CYS A 36 2.334 -19.210 42.746 1.00 12.91 H ATOM 514 C CYS A 36 3.378 -21.005 42.186 1.00 12.91 C ATOM 515 O CYS A 36 3.275 -22.128 41.694 1.00 12.91 O ATOM 516 CB CYS A 36 0.909 -20.544 41.808 1.00 12.91 C ATOM 517 1HB CYS A 36 0.207 -19.736 41.605 1.00 12.91 H ATOM 518 2HB CYS A 36 0.908 -21.211 40.946 1.00 12.91 H ATOM 519 SG CYS A 36 0.281 -21.497 43.230 1.00 12.91 S ATOM 520 N VAL A 37 4.445 -20.643 42.886 1.00 -9.33 N ATOM 521 H VAL A 37 4.510 -19.700 43.268 1.00 -9.33 H ATOM 522 CA VAL A 37 5.553 -21.566 43.124 1.00 -9.33 C ATOM 523 HA VAL A 37 5.642 -22.231 42.265 1.00 -9.33 H ATOM 524 C VAL A 37 5.219 -22.389 44.363 1.00 -9.33 C ATOM 525 O VAL A 37 5.328 -21.910 45.493 1.00 -9.33 O ATOM 526 CB VAL A 37 6.913 -20.834 43.321 1.00 -9.33 C ATOM 527 HB VAL A 37 6.889 -20.270 44.252 1.00 -9.33 H ATOM 528 CG1 VAL A 37 8.070 -21.851 43.380 1.00 -9.33 C ATOM 529 1HG1 VAL A 37 9.017 -21.334 43.532 1.00 -9.33 H ATOM 530 2HG1 VAL A 37 8.124 -22.408 42.441 1.00 -9.33 H ATOM 531 3HG1 VAL A 37 7.911 -22.562 44.191 1.00 -9.33 H ATOM 532 CG2 VAL A 37 7.176 -19.843 42.178 1.00 -9.33 C ATOM 533 1HG2 VAL A 37 8.157 -19.383 42.303 1.00 -9.33 H ATOM 534 2HG2 VAL A 37 6.428 -19.051 42.189 1.00 -9.33 H ATOM 535 3HG2 VAL A 37 7.146 -20.358 41.217 1.00 -9.33 H ATOM 536 N CYS A 38 4.758 -23.611 44.162 1.00 -0.02 N ATOM 537 H CYS A 38 4.634 -23.950 43.220 1.00 -0.02 H ATOM 538 CA CYS A 38 4.418 -24.486 45.280 1.00 -0.02 C ATOM 539 HA CYS A 38 4.032 -23.879 46.086 1.00 -0.02 H ATOM 540 C CYS A 38 5.648 -25.211 45.803 1.00 -0.02 C ATOM 541 O CYS A 38 6.561 -25.517 45.037 1.00 -0.02 O ATOM 542 CB CYS A 38 3.314 -25.435 44.847 1.00 -0.02 C ATOM 543 1HB CYS A 38 3.668 -26.087 44.048 1.00 -0.02 H ATOM 544 2HB CYS A 38 3.002 -26.035 45.701 1.00 -0.02 H ATOM 545 SG CYS A 38 1.930 -24.411 44.260 1.00 -0.02 S ATOM 546 N ARG A 39 5.723 -25.362 47.120 1.00 -0.30 N ATOM 547 H ARG A 39 4.904 -25.168 47.703 1.00 -0.30 H ATOM 548 CA ARG A 39 6.952 -25.782 47.795 1.00 -0.30 C ATOM 549 HA ARG A 39 7.561 -26.380 47.116 1.00 -0.30 H ATOM 550 C ARG A 39 6.564 -26.608 49.004 1.00 -0.30 C ATOM 551 O ARG A 39 5.426 -26.509 49.464 1.00 -0.30 O ATOM 552 CB ARG A 39 7.750 -24.565 48.292 1.00 -0.30 C ATOM 553 1HB ARG A 39 7.173 -24.082 49.074 1.00 -0.30 H ATOM 554 2HB ARG A 39 8.685 -24.912 48.732 1.00 -0.30 H ATOM 555 CG ARG A 39 8.067 -23.525 47.228 1.00 -0.30 C ATOM 556 1HG ARG A 39 8.650 -23.989 46.432 1.00 -0.30 H ATOM 557 2HG ARG A 39 7.135 -23.158 46.809 1.00 -0.30 H ATOM 558 CD ARG A 39 8.822 -22.332 47.772 1.00 -0.30 C ATOM 559 1HD ARG A 39 8.325 -21.967 48.671 1.00 -0.30 H ATOM 560 2HD ARG A 39 9.842 -22.633 48.016 1.00 -0.30 H ATOM 561 NE ARG A 39 8.831 -21.267 46.758 1.00 -0.30 N ATOM 562 HE ARG A 39 8.273 -21.439 45.933 1.00 -0.30 H ATOM 563 CZ ARG A 39 9.481 -20.114 46.821 1.00 -0.30 C ATOM 564 NH1 ARG A 39 9.379 -19.287 45.821 1.00 -0.30 N ATOM 565 1HH1 ARG A 39 8.782 -19.499 45.034 1.00 -0.30 H ATOM 566 2HH1 ARG A 39 9.903 -18.426 45.804 1.00 -0.30 H ATOM 567 NH2 ARG A 39 10.225 -19.755 47.836 1.00 -0.30 N ATOM 568 1HH2 ARG A 39 10.308 -20.368 48.630 1.00 -0.30 H ATOM 569 2HH2 ARG A 39 10.704 -18.869 47.826 1.00 -0.30 H ATOM 570 N ASN A 40 7.540 -27.330 49.536 1.00-11.08 N ATOM 571 H ASN A 40 8.437 -27.339 49.084 1.00-11.08 H ATOM 572 CA ASN A 40 7.392 -28.156 50.736 1.00-11.08 C ATOM 573 HA ASN A 40 8.327 -28.690 50.902 1.00-11.08 H ATOM 574 C ASN A 40 6.292 -29.183 50.519 1.00-11.08 C ATOM 575 O ASN A 40 5.537 -29.426 51.473 1.00-11.08 O ATOM 576 OXT ASN A 40 6.169 -29.720 49.412 1.00-11.08 O ATOM 577 CB ASN A 40 7.106 -27.291 51.981 1.00-11.08 C ATOM 578 1HB ASN A 40 6.107 -26.870 51.896 1.00-11.08 H ATOM 579 2HB ASN A 40 7.139 -27.920 52.869 1.00-11.08 H ATOM 580 CG ASN A 40 8.082 -26.160 52.148 1.00-11.08 C ATOM 581 OD1 ASN A 40 9.281 -26.310 51.983 1.00-11.08 O ATOM 582 ND2 ASN A 40 7.571 -24.998 52.455 1.00-11.08 N ATOM 583 1HD2 ASN A 40 8.197 -24.226 52.596 1.00-11.08 H ATOM 584 2HD2 ASN A 40 6.576 -24.894 52.561 1.00-11.08 H TER 585 ASN A 40 CONECT 36 33 435 CONECT 246 243 519 CONECT 290 287 545 CONECT 435 36 432 CONECT 519 246 516 CONECT 545 290 542 END
SEQUENCE	ATCDLLSKWNWNHTACAGHCIAKGFKGGYCNDKAVCVCRN
HELICITY	27.50	INSTAB. INDEX	19.28	FLEXIBILITY	15.52
a HYD. MOM.	28.32	b HYD. MOM.	17.02	c HYD. MOM	3.28
a MEAN HYD. MOM.	0.71	b MEAN HYD. MOM.	0.43	c MEAN HYD. MOM.	0.08
CHARGE pH5	4.95	CHARGE pH7	2.91	CHARGE pH9	-2.32
Δ CHARGE pH5-pH9	7.28	ISOELECTRIC POINT	8.65	BOMAN INDEX	1.20
ΔG	25	CPP	-0,47	MLP	-11,38
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	Drosophilidae	GENUS	Drosophila	SPECIES	Drosophila melanogaster
DATE	1994
TITLE PAPER	Characterization and transcriptional profiles of a Drosophila gene encoding an insect defensin. A study in insect immunity.