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\GILDSFKGVAKGVAKDLAGKLLDKLKCKITGC.pdb REMARK YASARA Written on: Wed May 14 15:03:32 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 488 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: RANATUERIN-2CSA; COMPND 3 CHAIN: A; SEQRES 1 A 32 GLY ILE LEU ASP SER PHE LYS GLY VAL ALA LYS GLY VAL SEQRES 2 A 32 ALA LYS ASP LEU ALA GLY LYS LEU LEU ASP LYS LEU LYS SEQRES 3 A 32 CYS LYS ILE THR GLY CYS 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 27 CYS A 32 2.02 ATOM 1 N GLY A 1 -15.111 -3.386 -28.079 1.00-32.31 N ATOM 2 1H GLY A 1 -14.740 -4.075 -27.441 1.00-32.31 H ATOM 3 2H GLY A 1 -15.887 -3.789 -28.588 1.00-32.31 H ATOM 4 3H GLY A 1 -15.434 -2.580 -27.562 1.00-32.31 H ATOM 5 CA GLY A 1 -14.055 -2.974 -29.040 1.00-32.31 C ATOM 6 1HA GLY A 1 -13.211 -2.564 -28.490 1.00-32.31 H ATOM 7 2HA GLY A 1 -13.735 -3.849 -29.605 1.00-32.31 H ATOM 8 C GLY A 1 -14.577 -1.932 -29.998 1.00-32.31 C ATOM 9 O GLY A 1 -15.767 -1.673 -29.975 1.00-32.31 O ATOM 10 N ILE A 2 -13.732 -1.324 -30.825 1.00-23.63 N ATOM 11 H ILE A 2 -12.752 -1.566 -30.826 1.00-23.63 H ATOM 12 CA ILE A 2 -14.174 -0.256 -31.739 1.00-23.63 C ATOM 13 HA ILE A 2 -14.690 0.514 -31.163 1.00-23.63 H ATOM 14 C ILE A 2 -15.162 -0.819 -32.763 1.00-23.63 C ATOM 15 O ILE A 2 -16.205 -0.233 -33.042 1.00-23.63 O ATOM 16 CB ILE A 2 -12.953 0.397 -32.472 1.00-23.63 C ATOM 17 HB ILE A 2 -12.434 -0.380 -33.035 1.00-23.63 H ATOM 18 CG1 ILE A 2 -11.969 0.987 -31.438 1.00-23.63 C ATOM 19 1HG1 ILE A 2 -12.455 1.830 -30.944 1.00-23.63 H ATOM 20 2HG1 ILE A 2 -11.750 0.237 -30.682 1.00-23.63 H ATOM 21 CG2 ILE A 2 -13.411 1.495 -33.465 1.00-23.63 C ATOM 22 1HG2 ILE A 2 -12.557 1.916 -33.995 1.00-23.63 H ATOM 23 2HG2 ILE A 2 -13.929 2.295 -32.933 1.00-23.63 H ATOM 24 3HG2 ILE A 2 -14.086 1.079 -34.215 1.00-23.63 H ATOM 25 CD1 ILE A 2 -10.618 1.465 -32.000 1.00-23.63 C ATOM 26 1HD1 ILE A 2 -9.969 1.760 -31.175 1.00-23.63 H ATOM 27 2HD1 ILE A 2 -10.761 2.328 -32.651 1.00-23.63 H ATOM 28 3HD1 ILE A 2 -10.138 0.661 -32.560 1.00-23.63 H ATOM 29 N LEU A 3 -14.867 -2.011 -33.263 1.00-21.45 N ATOM 30 H LEU A 3 -14.027 -2.477 -32.975 1.00-21.45 H ATOM 31 CA LEU A 3 -15.729 -2.677 -34.237 1.00-21.45 C ATOM 32 HA LEU A 3 -15.806 -2.058 -35.130 1.00-21.45 H ATOM 33 C LEU A 3 -17.134 -2.895 -33.691 1.00-21.45 C ATOM 34 O LEU A 3 -18.110 -2.837 -34.425 1.00-21.45 O ATOM 35 CB LEU A 3 -15.118 -4.033 -34.606 1.00-21.45 C ATOM 36 1HB LEU A 3 -14.106 -3.858 -34.969 1.00-21.45 H ATOM 37 2HB LEU A 3 -15.045 -4.623 -33.692 1.00-21.45 H ATOM 38 CG LEU A 3 -15.854 -4.897 -35.648 1.00-21.45 C ATOM 39 HG LEU A 3 -16.858 -5.106 -35.282 1.00-21.45 H ATOM 40 CD1 LEU A 3 -15.973 -4.212 -37.009 1.00-21.45 C ATOM 41 1HD1 LEU A 3 -16.443 -4.888 -37.723 1.00-21.45 H ATOM 42 2HD1 LEU A 3 -14.987 -3.930 -37.380 1.00-21.45 H ATOM 43 3HD1 LEU A 3 -16.598 -3.323 -36.925 1.00-21.45 H ATOM 44 CD2 LEU A 3 -15.125 -6.228 -35.802 1.00-21.45 C ATOM 45 1HD2 LEU A 3 -15.662 -6.861 -36.509 1.00-21.45 H ATOM 46 2HD2 LEU A 3 -15.082 -6.743 -34.842 1.00-21.45 H ATOM 47 3HD2 LEU A 3 -14.111 -6.067 -36.171 1.00-21.45 H ATOM 48 N ASP A 4 -17.248 -3.117 -32.393 1.00 2.12 N ATOM 49 H ASP A 4 -16.436 -3.073 -31.802 1.00 2.12 H ATOM 50 CA ASP A 4 -18.531 -3.463 -31.801 1.00 2.12 C ATOM 51 HA ASP A 4 -18.951 -4.270 -32.389 1.00 2.12 H ATOM 52 C ASP A 4 -19.536 -2.325 -31.810 1.00 2.12 C ATOM 53 O ASP A 4 -20.729 -2.569 -31.949 1.00 2.12 O ATOM 54 CB ASP A 4 -18.322 -3.982 -30.386 1.00 2.12 C ATOM 55 1HB ASP A 4 -17.829 -3.213 -29.797 1.00 2.12 H ATOM 56 2HB ASP A 4 -19.289 -4.204 -29.934 1.00 2.12 H ATOM 57 CG ASP A 4 -17.477 -5.227 -30.379 1.00 2.12 C ATOM 58 OD1 ASP A 4 -17.891 -6.229 -30.999 1.00 2.12 O ATOM 59 OD2 ASP A 4 -16.350 -5.170 -29.836 1.00 2.12 O ATOM 60 N SER A 5 -19.073 -1.086 -31.728 1.00 -6.52 N ATOM 61 H SER A 5 -18.085 -0.905 -31.596 1.00 -6.52 H ATOM 62 CA SER A 5 -19.984 0.042 -31.891 1.00 -6.52 C ATOM 63 HA SER A 5 -20.964 -0.217 -31.488 1.00 -6.52 H ATOM 64 C SER A 5 -20.140 0.337 -33.379 1.00 -6.52 C ATOM 65 O SER A 5 -21.231 0.655 -33.847 1.00 -6.52 O ATOM 66 CB SER A 5 -19.460 1.268 -31.142 1.00 -6.52 C ATOM 67 1HB SER A 5 -20.110 2.120 -31.344 1.00 -6.52 H ATOM 68 2HB SER A 5 -19.471 1.056 -30.073 1.00 -6.52 H ATOM 69 OG SER A 5 -18.131 1.571 -31.527 1.00 -6.52 O ATOM 70 HG SER A 5 -17.833 2.334 -31.021 1.00 -6.52 H ATOM 71 N PHE A 6 -19.070 0.200 -34.148 1.00 5.95 N ATOM 72 H PHE A 6 -18.189 -0.094 -33.732 1.00 5.95 H ATOM 73 CA PHE A 6 -19.095 0.532 -35.574 1.00 5.95 C ATOM 74 HA PHE A 6 -19.470 1.548 -35.687 1.00 5.95 H ATOM 75 C PHE A 6 -20.010 -0.369 -36.399 1.00 5.95 C ATOM 76 O PHE A 6 -20.671 0.101 -37.326 1.00 5.95 O ATOM 77 CB PHE A 6 -17.679 0.478 -36.157 1.00 5.95 C ATOM 78 1HB PHE A 6 -17.135 -0.347 -35.702 1.00 5.95 H ATOM 79 2HB PHE A 6 -17.761 0.279 -37.225 1.00 5.95 H ATOM 80 CG PHE A 6 -16.896 1.761 -35.997 1.00 5.95 C ATOM 81 CD1 PHE A 6 -16.781 2.416 -34.753 1.00 5.95 C ATOM 82 HD1 PHE A 6 -17.229 1.991 -33.870 1.00 5.95 H ATOM 83 CD2 PHE A 6 -16.273 2.335 -37.121 1.00 5.95 C ATOM 84 HD2 PHE A 6 -16.344 1.850 -38.084 1.00 5.95 H ATOM 85 CE1 PHE A 6 -16.080 3.641 -34.635 1.00 5.95 C ATOM 86 HE1 PHE A 6 -16.008 4.135 -33.676 1.00 5.95 H ATOM 87 CE2 PHE A 6 -15.560 3.556 -37.017 1.00 5.95 C ATOM 88 HE2 PHE A 6 -15.091 3.984 -37.890 1.00 5.95 H ATOM 89 CZ PHE A 6 -15.468 4.211 -35.770 1.00 5.95 C ATOM 90 HZ PHE A 6 -14.929 5.144 -35.686 1.00 5.95 H ATOM 91 N LYS A 7 -20.116 -1.640 -36.036 1.00 -6.67 N ATOM 92 H LYS A 7 -19.554 -1.981 -35.251 1.00 -6.67 H ATOM 93 CA LYS A 7 -20.971 -2.592 -36.757 1.00 -6.67 C ATOM 94 HA LYS A 7 -20.734 -2.506 -37.818 1.00 -6.67 H ATOM 95 C LYS A 7 -22.461 -2.289 -36.614 1.00 -6.67 C ATOM 96 O LYS A 7 -23.274 -2.862 -37.336 1.00 -6.67 O ATOM 97 CB LYS A 7 -20.651 -4.028 -36.315 1.00 -6.67 C ATOM 98 1HB LYS A 7 -21.122 -4.727 -37.007 1.00 -6.67 H ATOM 99 2HB LYS A 7 -19.571 -4.162 -36.380 1.00 -6.67 H ATOM 100 CG LYS A 7 -21.099 -4.379 -34.898 1.00 -6.67 C ATOM 101 1HG LYS A 7 -20.799 -3.578 -34.231 1.00 -6.67 H ATOM 102 2HG LYS A 7 -22.186 -4.467 -34.873 1.00 -6.67 H ATOM 103 CD LYS A 7 -20.466 -5.675 -34.400 1.00 -6.67 C ATOM 104 1HD LYS A 7 -20.683 -6.485 -35.098 1.00 -6.67 H ATOM 105 2HD LYS A 7 -19.386 -5.531 -34.345 1.00 -6.67 H ATOM 106 CE LYS A 7 -20.997 -6.036 -33.011 1.00 -6.67 C ATOM 107 1HE LYS A 7 -20.947 -5.150 -32.374 1.00 -6.67 H ATOM 108 2HE LYS A 7 -22.044 -6.330 -33.099 1.00 -6.67 H ATOM 109 NZ LYS A 7 -20.210 -7.144 -32.358 1.00 -6.67 N ATOM 110 1HZ LYS A 7 -20.662 -7.429 -31.501 1.00 -6.67 H ATOM 111 2HZ LYS A 7 -19.274 -6.815 -32.117 1.00 -6.67 H ATOM 112 3HZ LYS A 7 -20.133 -7.936 -32.977 1.00 -6.67 H ATOM 113 N GLY A 8 -22.802 -1.364 -35.727 1.00 18.38 N ATOM 114 H GLY A 8 -22.095 -0.982 -35.111 1.00 18.38 H ATOM 115 CA GLY A 8 -24.145 -0.810 -35.672 1.00 18.38 C ATOM 116 1HA GLY A 8 -24.803 -1.359 -36.344 1.00 18.38 H ATOM 117 2HA GLY A 8 -24.529 -0.909 -34.658 1.00 18.38 H ATOM 118 C GLY A 8 -24.185 0.658 -36.062 1.00 18.38 C ATOM 119 O GLY A 8 -24.840 1.032 -37.028 1.00 18.38 O ATOM 120 N VAL A 9 -23.478 1.501 -35.324 1.00 -7.15 N ATOM 121 H VAL A 9 -22.878 1.149 -34.581 1.00 -7.15 H ATOM 122 CA VAL A 9 -23.587 2.954 -35.482 1.00 -7.15 C ATOM 123 HA VAL A 9 -24.647 3.209 -35.499 1.00 -7.15 H ATOM 124 C VAL A 9 -22.967 3.456 -36.781 1.00 -7.15 C ATOM 125 O VAL A 9 -23.594 4.217 -37.513 1.00 -7.15 O ATOM 126 CB VAL A 9 -22.921 3.690 -34.274 1.00 -7.15 C ATOM 127 HB VAL A 9 -21.858 3.450 -34.263 1.00 -7.15 H ATOM 128 CG1 VAL A 9 -23.075 5.215 -34.378 1.00 -7.15 C ATOM 129 1HG1 VAL A 9 -22.631 5.694 -33.506 1.00 -7.15 H ATOM 130 2HG1 VAL A 9 -24.132 5.484 -34.434 1.00 -7.15 H ATOM 131 3HG1 VAL A 9 -22.568 5.589 -35.269 1.00 -7.15 H ATOM 132 CG2 VAL A 9 -23.534 3.209 -32.942 1.00 -7.15 C ATOM 133 1HG2 VAL A 9 -23.108 3.776 -32.114 1.00 -7.15 H ATOM 134 2HG2 VAL A 9 -23.313 2.156 -32.778 1.00 -7.15 H ATOM 135 3HG2 VAL A 9 -24.616 3.355 -32.952 1.00 -7.15 H ATOM 136 N ALA A 10 -21.749 3.031 -37.099 1.00 14.58 N ATOM 137 H ALA A 10 -21.276 2.363 -36.510 1.00 14.58 H ATOM 138 CA ALA A 10 -21.086 3.538 -38.301 1.00 14.58 C ATOM 139 HA ALA A 10 -21.180 4.623 -38.319 1.00 14.58 H ATOM 140 C ALA A 10 -21.796 2.972 -39.531 1.00 14.58 C ATOM 141 O ALA A 10 -22.009 3.661 -40.526 1.00 14.58 O ATOM 142 CB ALA A 10 -19.596 3.185 -38.304 1.00 14.58 C ATOM 143 1HB ALA A 10 -19.122 3.562 -37.398 1.00 14.58 H ATOM 144 2HB ALA A 10 -19.119 3.649 -39.169 1.00 14.58 H ATOM 145 3HB ALA A 10 -19.461 2.106 -38.369 1.00 14.58 H ATOM 146 N LYS A 11 -22.238 1.729 -39.412 1.00 -5.47 N ATOM 147 H LYS A 11 -22.011 1.213 -38.567 1.00 -5.47 H ATOM 148 CA LYS A 11 -23.032 1.074 -40.454 1.00 -5.47 C ATOM 149 HA LYS A 11 -22.455 1.051 -41.380 1.00 -5.47 H ATOM 150 C LYS A 11 -24.329 1.835 -40.733 1.00 -5.47 C ATOM 151 O LYS A 11 -24.786 1.912 -41.870 1.00 -5.47 O ATOM 152 CB LYS A 11 -23.333 -0.355 -39.992 1.00 -5.47 C ATOM 153 1HB LYS A 11 -22.393 -0.836 -39.722 1.00 -5.47 H ATOM 154 2HB LYS A 11 -23.947 -0.301 -39.095 1.00 -5.47 H ATOM 155 CG LYS A 11 -24.053 -1.230 -41.007 1.00 -5.47 C ATOM 156 1HG LYS A 11 -24.983 -0.750 -41.308 1.00 -5.47 H ATOM 157 2HG LYS A 11 -23.419 -1.373 -41.882 1.00 -5.47 H ATOM 158 CD LYS A 11 -24.376 -2.572 -40.379 1.00 -5.47 C ATOM 159 1HD LYS A 11 -23.449 -3.042 -40.049 1.00 -5.47 H ATOM 160 2HD LYS A 11 -25.014 -2.407 -39.509 1.00 -5.47 H ATOM 161 CE LYS A 11 -25.092 -3.496 -41.348 1.00 -5.47 C ATOM 162 1HE LYS A 11 -26.002 -3.008 -41.705 1.00 -5.47 H ATOM 163 2HE LYS A 11 -24.440 -3.697 -42.201 1.00 -5.47 H ATOM 164 NZ LYS A 11 -25.443 -4.779 -40.653 1.00 -5.47 N ATOM 165 1HZ LYS A 11 -25.919 -5.399 -41.295 1.00 -5.47 H ATOM 166 2HZ LYS A 11 -26.047 -4.586 -39.865 1.00 -5.47 H ATOM 167 3HZ LYS A 11 -24.600 -5.226 -40.317 1.00 -5.47 H ATOM 168 N GLY A 12 -24.918 2.417 -39.701 1.00 8.26 N ATOM 169 H GLY A 12 -24.515 2.342 -38.771 1.00 8.26 H ATOM 170 CA GLY A 12 -26.170 3.136 -39.855 1.00 8.26 C ATOM 171 1HA GLY A 12 -26.776 2.612 -40.594 1.00 8.26 H ATOM 172 2HA GLY A 12 -26.702 3.096 -38.904 1.00 8.26 H ATOM 173 C GLY A 12 -26.082 4.590 -40.273 1.00 8.26 C ATOM 174 O GLY A 12 -27.132 5.207 -40.423 1.00 8.26 O ATOM 175 N VAL A 13 -24.903 5.164 -40.480 1.00 43.98 N ATOM 176 H VAL A 13 -24.055 4.605 -40.411 1.00 43.98 H ATOM 177 CA VAL A 13 -24.766 6.610 -40.736 1.00 43.98 C ATOM 178 HA VAL A 13 -25.086 7.131 -39.836 1.00 43.98 H ATOM 179 C VAL A 13 -25.649 7.151 -41.863 1.00 43.98 C ATOM 180 O VAL A 13 -26.282 8.200 -41.693 1.00 43.98 O ATOM 181 CB VAL A 13 -23.263 6.970 -40.983 1.00 43.98 C ATOM 182 HB VAL A 13 -22.852 6.243 -41.682 1.00 43.98 H ATOM 183 CG1 VAL A 13 -23.054 8.372 -41.590 1.00 43.98 C ATOM 184 1HG1 VAL A 13 -21.987 8.589 -41.658 1.00 43.98 H ATOM 185 2HG1 VAL A 13 -23.531 9.134 -40.977 1.00 43.98 H ATOM 186 3HG1 VAL A 13 -23.467 8.410 -42.599 1.00 43.98 H ATOM 187 CG2 VAL A 13 -22.488 6.885 -39.667 1.00 43.98 C ATOM 188 1HG2 VAL A 13 -21.422 7.016 -39.860 1.00 43.98 H ATOM 189 2HG2 VAL A 13 -22.638 5.913 -39.211 1.00 43.98 H ATOM 190 3HG2 VAL A 13 -22.830 7.653 -38.973 1.00 43.98 H ATOM 191 N ALA A 14 -25.759 6.438 -42.977 1.00 3.11 N ATOM 192 H ALA A 14 -25.268 5.559 -43.048 1.00 3.11 H ATOM 193 CA ALA A 14 -26.545 6.916 -44.117 1.00 3.11 C ATOM 194 HA ALA A 14 -26.172 7.903 -44.395 1.00 3.11 H ATOM 195 C ALA A 14 -28.044 7.067 -43.808 1.00 3.11 C ATOM 196 O ALA A 14 -28.716 7.981 -44.301 1.00 3.11 O ATOM 197 CB ALA A 14 -26.337 5.967 -45.307 1.00 3.11 C ATOM 198 1HB ALA A 14 -25.277 5.920 -45.563 1.00 3.11 H ATOM 199 2HB ALA A 14 -26.888 6.344 -46.171 1.00 3.11 H ATOM 200 3HB ALA A 14 -26.697 4.966 -45.064 1.00 3.11 H ATOM 201 N LYS A 15 -28.572 6.179 -42.978 1.00 3.00 N ATOM 202 H LYS A 15 -27.985 5.456 -42.581 1.00 3.00 H ATOM 203 CA LYS A 15 -29.975 6.267 -42.572 1.00 3.00 C ATOM 204 HA LYS A 15 -30.578 6.625 -43.405 1.00 3.00 H ATOM 205 C LYS A 15 -30.053 7.285 -41.449 1.00 3.00 C ATOM 206 O LYS A 15 -30.828 8.233 -41.517 1.00 3.00 O ATOM 207 CB LYS A 15 -30.490 4.886 -42.126 1.00 3.00 C ATOM 208 1HB LYS A 15 -30.362 4.210 -42.971 1.00 3.00 H ATOM 209 2HB LYS A 15 -29.863 4.512 -41.316 1.00 3.00 H ATOM 210 CG LYS A 15 -31.968 4.793 -41.685 1.00 3.00 C ATOM 211 1HG LYS A 15 -32.568 5.496 -42.264 1.00 3.00 H ATOM 212 2HG LYS A 15 -32.318 3.782 -41.895 1.00 3.00 H ATOM 213 CD LYS A 15 -32.157 5.058 -40.190 1.00 3.00 C ATOM 214 1HD LYS A 15 -31.462 4.432 -39.629 1.00 3.00 H ATOM 215 2HD LYS A 15 -31.929 6.100 -39.986 1.00 3.00 H ATOM 216 CE LYS A 15 -33.558 4.783 -39.685 1.00 3.00 C ATOM 217 1HE LYS A 15 -34.277 5.389 -40.241 1.00 3.00 H ATOM 218 2HE LYS A 15 -33.796 3.726 -39.805 1.00 3.00 H ATOM 219 NZ LYS A 15 -33.593 5.162 -38.236 1.00 3.00 N ATOM 220 1HZ LYS A 15 -34.503 4.979 -37.838 1.00 3.00 H ATOM 221 2HZ LYS A 15 -33.414 6.161 -38.144 1.00 3.00 H ATOM 222 3HZ LYS A 15 -32.867 4.686 -37.713 1.00 3.00 H ATOM 223 N ASP A 16 -29.259 7.043 -40.421 1.00 9.51 N ATOM 224 H ASP A 16 -28.489 6.384 -40.529 1.00 9.51 H ATOM 225 CA ASP A 16 -29.564 7.485 -39.063 1.00 9.51 C ATOM 226 HA ASP A 16 -30.630 7.688 -39.007 1.00 9.51 H ATOM 227 C ASP A 16 -28.836 8.739 -38.619 1.00 9.51 C ATOM 228 O ASP A 16 -29.465 9.711 -38.226 1.00 9.51 O ATOM 229 CB ASP A 16 -29.257 6.327 -38.108 1.00 9.51 C ATOM 230 1HB ASP A 16 -29.490 5.394 -38.620 1.00 9.51 H ATOM 231 2HB ASP A 16 -28.196 6.321 -37.857 1.00 9.51 H ATOM 232 CG ASP A 16 -30.082 6.384 -36.842 1.00 9.51 C ATOM 233 OD1 ASP A 16 -31.116 5.683 -36.777 1.00 9.51 O ATOM 234 OD2 ASP A 16 -29.731 7.133 -35.911 1.00 9.51 O ATOM 235 N LEU A 17 -27.520 8.791 -38.772 1.00 -3.91 N ATOM 236 H LEU A 17 -27.020 7.991 -39.128 1.00 -3.91 H ATOM 237 CA LEU A 17 -26.797 10.007 -38.401 1.00 -3.91 C ATOM 238 HA LEU A 17 -27.121 10.315 -37.406 1.00 -3.91 H ATOM 239 C LEU A 17 -27.157 11.115 -39.382 1.00 -3.91 C ATOM 240 O LEU A 17 -27.492 12.223 -38.983 1.00 -3.91 O ATOM 241 CB LEU A 17 -25.283 9.779 -38.385 1.00 -3.91 C ATOM 242 1HB LEU A 17 -25.071 8.946 -37.714 1.00 -3.91 H ATOM 243 2HB LEU A 17 -24.982 9.490 -39.387 1.00 -3.91 H ATOM 244 CG LEU A 17 -24.415 10.978 -37.961 1.00 -3.91 C ATOM 245 HG LEU A 17 -24.590 11.795 -38.659 1.00 -3.91 H ATOM 246 CD1 LEU A 17 -24.726 11.483 -36.550 1.00 -3.91 C ATOM 247 1HD1 LEU A 17 -24.037 12.285 -36.284 1.00 -3.91 H ATOM 248 2HD1 LEU A 17 -24.632 10.671 -35.827 1.00 -3.91 H ATOM 249 3HD1 LEU A 17 -25.739 11.884 -36.514 1.00 -3.91 H ATOM 250 CD2 LEU A 17 -22.940 10.596 -38.041 1.00 -3.91 C ATOM 251 1HD2 LEU A 17 -22.323 11.453 -37.767 1.00 -3.91 H ATOM 252 2HD2 LEU A 17 -22.686 10.304 -39.059 1.00 -3.91 H ATOM 253 3HD2 LEU A 17 -22.723 9.771 -37.361 1.00 -3.91 H ATOM 254 N ALA A 18 -27.183 10.794 -40.670 1.00 7.87 N ATOM 255 H ALA A 18 -26.894 9.863 -40.963 1.00 7.87 H ATOM 256 CA ALA A 18 -27.635 11.750 -41.675 1.00 7.87 C ATOM 257 HA ALA A 18 -27.060 12.671 -41.578 1.00 7.87 H ATOM 258 C ALA A 18 -29.112 12.075 -41.433 1.00 7.87 C ATOM 259 O ALA A 18 -29.591 13.157 -41.750 1.00 7.87 O ATOM 260 CB ALA A 18 -27.420 11.167 -43.075 1.00 7.87 C ATOM 261 1HB ALA A 18 -26.356 10.980 -43.233 1.00 7.87 H ATOM 262 2HB ALA A 18 -27.772 11.878 -43.823 1.00 7.87 H ATOM 263 3HB ALA A 18 -27.964 10.228 -43.177 1.00 7.87 H ATOM 264 N GLY A 19 -29.829 11.131 -40.845 1.00 16.26 N ATOM 265 H GLY A 19 -29.404 10.245 -40.607 1.00 16.26 H ATOM 266 CA GLY A 19 -31.207 11.356 -40.458 1.00 16.26 C ATOM 267 1HA GLY A 19 -31.785 11.635 -41.321 1.00 16.26 H ATOM 268 2HA GLY A 19 -31.606 10.422 -40.063 1.00 16.26 H ATOM 269 C GLY A 19 -31.378 12.433 -39.411 1.00 16.26 C ATOM 270 O GLY A 19 -32.147 13.369 -39.611 1.00 16.26 O ATOM 271 N LYS A 20 -30.658 12.309 -38.306 1.00 -1.51 N ATOM 272 H LYS A 20 -30.044 11.494 -38.209 1.00 -1.51 H ATOM 273 CA LYS A 20 -30.750 13.259 -37.195 1.00 -1.51 C ATOM 274 HA LYS A 20 -31.801 13.488 -37.014 1.00 -1.51 H ATOM 275 C LYS A 20 -30.060 14.577 -37.517 1.00 -1.51 C ATOM 276 O LYS A 20 -30.477 15.622 -37.034 1.00 -1.51 O ATOM 277 CB LYS A 20 -30.154 12.666 -35.910 1.00 -1.51 C ATOM 278 1HB LYS A 20 -29.231 12.137 -36.149 1.00 -1.51 H ATOM 279 2HB LYS A 20 -29.898 13.501 -35.256 1.00 -1.51 H ATOM 280 CG LYS A 20 -31.092 11.741 -35.106 1.00 -1.51 C ATOM 281 1HG LYS A 20 -30.682 11.640 -34.100 1.00 -1.51 H ATOM 282 2HG LYS A 20 -32.068 12.217 -35.027 1.00 -1.51 H ATOM 283 CD LYS A 20 -31.274 10.336 -35.683 1.00 -1.51 C ATOM 284 1HD LYS A 20 -31.687 10.403 -36.688 1.00 -1.51 H ATOM 285 2HD LYS A 20 -30.302 9.844 -35.731 1.00 -1.51 H ATOM 286 CE LYS A 20 -32.211 9.491 -34.831 1.00 -1.51 C ATOM 287 1HE LYS A 20 -31.803 9.411 -33.823 1.00 -1.51 H ATOM 288 2HE LYS A 20 -33.189 9.973 -34.787 1.00 -1.51 H ATOM 289 NZ LYS A 20 -32.362 8.121 -35.414 1.00 -1.51 N ATOM 290 1HZ LYS A 20 -32.989 7.560 -34.863 1.00 -1.51 H ATOM 291 2HZ LYS A 20 -31.454 7.659 -35.469 1.00 -1.51 H ATOM 292 3HZ LYS A 20 -32.731 8.177 -36.362 1.00 -1.51 H ATOM 293 N LEU A 21 -29.051 14.577 -38.373 1.00 -5.81 N ATOM 294 H LEU A 21 -28.669 13.695 -38.715 1.00 -5.81 H ATOM 295 CA LEU A 21 -28.462 15.845 -38.811 1.00 -5.81 C ATOM 296 HA LEU A 21 -28.186 16.432 -37.937 1.00 -5.81 H ATOM 297 C LEU A 21 -29.498 16.641 -39.599 1.00 -5.81 C ATOM 298 O LEU A 21 -29.704 17.834 -39.367 1.00 -5.81 O ATOM 299 CB LEU A 21 -27.222 15.604 -39.681 1.00 -5.81 C ATOM 300 1HB LEU A 21 -27.481 14.857 -40.430 1.00 -5.81 H ATOM 301 2HB LEU A 21 -26.997 16.533 -40.205 1.00 -5.81 H ATOM 302 CG LEU A 21 -25.934 15.151 -38.971 1.00 -5.81 C ATOM 303 HG LEU A 21 -26.157 14.290 -38.346 1.00 -5.81 H ATOM 304 CD1 LEU A 21 -24.898 14.732 -40.008 1.00 -5.81 C ATOM 305 1HD1 LEU A 21 -23.994 14.391 -39.506 1.00 -5.81 H ATOM 306 2HD1 LEU A 21 -24.653 15.572 -40.659 1.00 -5.81 H ATOM 307 3HD1 LEU A 21 -25.291 13.912 -40.607 1.00 -5.81 H ATOM 308 CD2 LEU A 21 -25.346 16.243 -38.076 1.00 -5.81 C ATOM 309 1HD2 LEU A 21 -24.424 15.884 -37.618 1.00 -5.81 H ATOM 310 2HD2 LEU A 21 -26.046 16.492 -37.280 1.00 -5.81 H ATOM 311 3HD2 LEU A 21 -25.131 17.137 -38.663 1.00 -5.81 H ATOM 312 N LEU A 22 -30.212 15.966 -40.487 1.00 2.58 N ATOM 313 H LEU A 22 -30.042 14.971 -40.616 1.00 2.58 H ATOM 314 CA LEU A 22 -31.222 16.606 -41.330 1.00 2.58 C ATOM 315 HA LEU A 22 -30.957 17.654 -41.465 1.00 2.58 H ATOM 316 C LEU A 22 -32.609 16.563 -40.693 1.00 2.58 C ATOM 317 O LEU A 22 -33.608 16.765 -41.387 1.00 2.58 O ATOM 318 CB LEU A 22 -31.249 15.929 -42.707 1.00 2.58 C ATOM 319 1HB LEU A 22 -31.506 14.883 -42.554 1.00 2.58 H ATOM 320 2HB LEU A 22 -32.040 16.385 -43.301 1.00 2.58 H ATOM 321 CG LEU A 22 -29.960 15.992 -43.543 1.00 2.58 C ATOM 322 HG LEU A 22 -29.133 15.600 -42.954 1.00 2.58 H ATOM 323 CD1 LEU A 22 -30.112 15.118 -44.785 1.00 2.58 C ATOM 324 1HD1 LEU A 22 -29.190 15.150 -45.369 1.00 2.58 H ATOM 325 2HD1 LEU A 22 -30.939 15.472 -45.401 1.00 2.58 H ATOM 326 3HD1 LEU A 22 -30.291 14.086 -44.483 1.00 2.58 H ATOM 327 CD2 LEU A 22 -29.613 17.421 -43.963 1.00 2.58 C ATOM 328 1HD2 LEU A 22 -28.719 17.414 -44.589 1.00 2.58 H ATOM 329 2HD2 LEU A 22 -29.402 18.031 -43.083 1.00 2.58 H ATOM 330 3HD2 LEU A 22 -30.437 17.865 -44.522 1.00 2.58 H ATOM 331 N ASP A 23 -32.663 16.325 -39.386 1.00 39.66 N ATOM 332 H ASP A 23 -31.790 16.162 -38.898 1.00 39.66 H ATOM 333 CA ASP A 23 -33.898 16.162 -38.593 1.00 39.66 C ATOM 334 HA ASP A 23 -34.257 15.149 -38.744 1.00 39.66 H ATOM 335 C ASP A 23 -35.038 17.110 -38.921 1.00 39.66 C ATOM 336 O ASP A 23 -36.214 16.734 -38.926 1.00 39.66 O ATOM 337 CB ASP A 23 -33.570 16.344 -37.101 1.00 39.66 C ATOM 338 1HB ASP A 23 -33.569 15.380 -36.599 1.00 39.66 H ATOM 339 2HB ASP A 23 -32.579 16.775 -37.027 1.00 39.66 H ATOM 340 CG ASP A 23 -34.521 17.295 -36.385 1.00 39.66 C ATOM 341 OD1 ASP A 23 -35.653 16.927 -36.012 1.00 39.66 O ATOM 342 OD2 ASP A 23 -34.117 18.474 -36.251 1.00 39.66 O ATOM 343 N LYS A 24 -34.630 18.331 -39.240 1.00 -0.13 N ATOM 344 H LYS A 24 -33.638 18.464 -39.329 1.00 -0.13 H ATOM 345 CA LYS A 24 -35.494 19.487 -39.423 1.00 -0.13 C ATOM 346 HA LYS A 24 -35.993 19.695 -38.478 1.00 -0.13 H ATOM 347 C LYS A 24 -36.569 19.187 -40.451 1.00 -0.13 C ATOM 348 O LYS A 24 -37.709 19.597 -40.270 1.00 -0.13 O ATOM 349 CB LYS A 24 -34.634 20.701 -39.799 1.00 -0.13 C ATOM 350 1HB LYS A 24 -34.136 20.509 -40.750 1.00 -0.13 H ATOM 351 2HB LYS A 24 -35.291 21.562 -39.923 1.00 -0.13 H ATOM 352 CG LYS A 24 -33.572 21.035 -38.733 1.00 -0.13 C ATOM 353 1HG LYS A 24 -33.528 22.117 -38.609 1.00 -0.13 H ATOM 354 2HG LYS A 24 -33.885 20.603 -37.784 1.00 -0.13 H ATOM 355 CD LYS A 24 -32.157 20.530 -39.081 1.00 -0.13 C ATOM 356 1HD LYS A 24 -32.206 19.527 -39.500 1.00 -0.13 H ATOM 357 2HD LYS A 24 -31.734 21.194 -39.838 1.00 -0.13 H ATOM 358 CE LYS A 24 -31.225 20.503 -37.862 1.00 -0.13 C ATOM 359 1HE LYS A 24 -30.193 20.474 -38.222 1.00 -0.13 H ATOM 360 2HE LYS A 24 -31.364 21.424 -37.292 1.00 -0.13 H ATOM 361 NZ LYS A 24 -31.437 19.311 -36.957 1.00 -0.13 N ATOM 362 1HZ LYS A 24 -30.885 19.408 -36.118 1.00 -0.13 H ATOM 363 2HZ LYS A 24 -31.150 18.464 -37.433 1.00 -0.13 H ATOM 364 3HZ LYS A 24 -32.420 19.227 -36.693 1.00 -0.13 H ATOM 365 N LEU A 25 -36.223 18.355 -41.424 1.00 3.98 N ATOM 366 H LEU A 25 -35.253 18.080 -41.504 1.00 3.98 H ATOM 367 CA LEU A 25 -37.207 17.738 -42.310 1.00 3.98 C ATOM 368 HA LEU A 25 -38.207 18.034 -41.997 1.00 3.98 H ATOM 369 C LEU A 25 -37.159 16.211 -42.264 1.00 3.98 C ATOM 370 O LEU A 25 -38.187 15.565 -42.130 1.00 3.98 O ATOM 371 CB LEU A 25 -36.989 18.211 -43.752 1.00 3.98 C ATOM 372 1HB LEU A 25 -35.982 17.922 -44.052 1.00 3.98 H ATOM 373 2HB LEU A 25 -37.690 17.672 -44.387 1.00 3.98 H ATOM 374 CG LEU A 25 -37.157 19.712 -44.044 1.00 3.98 C ATOM 375 HG LEU A 25 -36.484 20.272 -43.397 1.00 3.98 H ATOM 376 CD1 LEU A 25 -36.765 19.993 -45.491 1.00 3.98 C ATOM 377 1HD1 LEU A 25 -36.840 21.063 -45.689 1.00 3.98 H ATOM 378 2HD1 LEU A 25 -37.427 19.459 -46.174 1.00 3.98 H ATOM 379 3HD1 LEU A 25 -35.736 19.680 -45.668 1.00 3.98 H ATOM 380 CD2 LEU A 25 -38.585 20.200 -43.797 1.00 3.98 C ATOM 381 1HD2 LEU A 25 -38.665 21.255 -44.060 1.00 3.98 H ATOM 382 2HD2 LEU A 25 -38.839 20.097 -42.741 1.00 3.98 H ATOM 383 3HD2 LEU A 25 -39.294 19.627 -44.397 1.00 3.98 H ATOM 384 N LYS A 26 -35.982 15.604 -42.360 1.00 6.54 N ATOM 385 H LYS A 26 -35.124 16.152 -42.313 1.00 6.54 H ATOM 386 CA LYS A 26 -35.884 14.156 -42.586 1.00 6.54 C ATOM 387 HA LYS A 26 -36.474 13.924 -43.475 1.00 6.54 H ATOM 388 C LYS A 26 -36.476 13.306 -41.465 1.00 6.54 C ATOM 389 O LYS A 26 -37.167 12.338 -41.756 1.00 6.54 O ATOM 390 CB LYS A 26 -34.428 13.761 -42.882 1.00 6.54 C ATOM 391 1HB LYS A 26 -34.067 14.392 -43.694 1.00 6.54 H ATOM 392 2HB LYS A 26 -33.820 13.955 -41.998 1.00 6.54 H ATOM 393 CG LYS A 26 -34.244 12.296 -43.284 1.00 6.54 C ATOM 394 1HG LYS A 26 -34.457 11.678 -42.412 1.00 6.54 H ATOM 395 2HG LYS A 26 -34.953 12.045 -44.073 1.00 6.54 H ATOM 396 CD LYS A 26 -32.835 11.975 -43.776 1.00 6.54 C ATOM 397 1HD LYS A 26 -32.685 12.402 -44.767 1.00 6.54 H ATOM 398 2HD LYS A 26 -32.115 12.425 -43.097 1.00 6.54 H ATOM 399 CE LYS A 26 -32.621 10.450 -43.813 1.00 6.54 C ATOM 400 1HE LYS A 26 -32.939 10.036 -42.852 1.00 6.54 H ATOM 401 2HE LYS A 26 -33.257 10.020 -44.591 1.00 6.54 H ATOM 402 NZ LYS A 26 -31.185 10.040 -44.046 1.00 6.54 N ATOM 403 1HZ LYS A 26 -31.096 9.033 -43.986 1.00 6.54 H ATOM 404 2HZ LYS A 26 -30.595 10.444 -43.331 1.00 6.54 H ATOM 405 3HZ LYS A 26 -30.871 10.345 -44.956 1.00 6.54 H ATOM 406 N CYS A 27 -36.316 13.674 -40.202 1.00 15.20 N ATOM 407 H CYS A 27 -35.780 14.497 -39.971 1.00 15.20 H ATOM 408 CA CYS A 27 -36.938 12.888 -39.131 1.00 15.20 C ATOM 409 HA CYS A 27 -36.630 11.853 -39.226 1.00 15.20 H ATOM 410 C CYS A 27 -38.452 12.899 -39.211 1.00 15.20 C ATOM 411 O CYS A 27 -39.108 11.915 -38.893 1.00 15.20 O ATOM 412 CB CYS A 27 -36.549 13.399 -37.741 1.00 15.20 C ATOM 413 1HB CYS A 27 -36.696 14.478 -37.697 1.00 15.20 H ATOM 414 2HB CYS A 27 -37.223 12.940 -37.016 1.00 15.20 H ATOM 415 SG CYS A 27 -34.851 13.000 -37.224 1.00 15.20 S ATOM 416 N LYS A 28 -38.987 14.025 -39.651 1.00-14.52 N ATOM 417 H LYS A 28 -38.381 14.765 -39.982 1.00-14.52 H ATOM 418 CA LYS A 28 -40.426 14.267 -39.655 1.00-14.52 C ATOM 419 HA LYS A 28 -40.868 13.804 -38.771 1.00-14.52 H ATOM 420 C LYS A 28 -41.099 13.652 -40.876 1.00-14.52 C ATOM 421 O LYS A 28 -42.317 13.576 -40.933 1.00-14.52 O ATOM 422 CB LYS A 28 -40.657 15.780 -39.585 1.00-14.52 C ATOM 423 1HB LYS A 28 -40.254 16.244 -40.484 1.00-14.52 H ATOM 424 2HB LYS A 28 -41.729 15.974 -39.541 1.00-14.52 H ATOM 425 CG LYS A 28 -39.975 16.400 -38.357 1.00-14.52 C ATOM 426 1HG LYS A 28 -40.372 15.926 -37.459 1.00-14.52 H ATOM 427 2HG LYS A 28 -38.906 16.207 -38.407 1.00-14.52 H ATOM 428 CD LYS A 28 -40.173 17.902 -38.250 1.00-14.52 C ATOM 429 1HD LYS A 28 -39.791 18.382 -39.152 1.00-14.52 H ATOM 430 2HD LYS A 28 -41.238 18.116 -38.161 1.00-14.52 H ATOM 431 CE LYS A 28 -39.443 18.464 -37.023 1.00-14.52 C ATOM 432 1HE LYS A 28 -39.684 19.525 -36.934 1.00-14.52 H ATOM 433 2HE LYS A 28 -39.811 17.953 -36.131 1.00-14.52 H ATOM 434 NZ LYS A 28 -37.947 18.309 -37.094 1.00-14.52 N ATOM 435 1HZ LYS A 28 -37.500 18.693 -36.272 1.00-14.52 H ATOM 436 2HZ LYS A 28 -37.594 18.772 -37.920 1.00-14.52 H ATOM 437 3HZ LYS A 28 -37.683 17.330 -37.147 1.00-14.52 H ATOM 438 N ILE A 29 -40.291 13.211 -41.832 1.00-21.17 N ATOM 439 H ILE A 29 -39.298 13.318 -41.713 1.00-21.17 H ATOM 440 CA ILE A 29 -40.788 12.616 -43.074 1.00-21.17 C ATOM 441 HA ILE A 29 -41.874 12.707 -43.102 1.00-21.17 H ATOM 442 C ILE A 29 -40.457 11.123 -43.169 1.00-21.17 C ATOM 443 O ILE A 29 -41.332 10.322 -43.472 1.00-21.17 O ATOM 444 CB ILE A 29 -40.210 13.372 -44.319 1.00-21.17 C ATOM 445 HB ILE A 29 -39.121 13.319 -44.278 1.00-21.17 H ATOM 446 CG1 ILE A 29 -40.633 14.858 -44.293 1.00-21.17 C ATOM 447 1HG1 ILE A 29 -41.703 14.917 -44.498 1.00-21.17 H ATOM 448 2HG1 ILE A 29 -40.469 15.266 -43.298 1.00-21.17 H ATOM 449 CG2 ILE A 29 -40.689 12.726 -45.652 1.00-21.17 C ATOM 450 1HG2 ILE A 29 -40.251 13.241 -46.505 1.00-21.17 H ATOM 451 2HG2 ILE A 29 -41.779 12.776 -45.722 1.00-21.17 H ATOM 452 3HG2 ILE A 29 -40.386 11.680 -45.700 1.00-21.17 H ATOM 453 CD1 ILE A 29 -39.890 15.771 -45.282 1.00-21.17 C ATOM 454 1HD1 ILE A 29 -40.170 16.807 -45.092 1.00-21.17 H ATOM 455 2HD1 ILE A 29 -40.158 15.519 -46.308 1.00-21.17 H ATOM 456 3HD1 ILE A 29 -38.813 15.661 -45.147 1.00-21.17 H ATOM 457 N THR A 30 -39.207 10.729 -42.957 1.00 4.81 N ATOM 458 H THR A 30 -38.499 11.381 -42.627 1.00 4.81 H ATOM 459 CA THR A 30 -38.777 9.370 -43.313 1.00 4.81 C ATOM 460 HA THR A 30 -39.516 8.936 -43.987 1.00 4.81 H ATOM 461 C THR A 30 -38.581 8.402 -42.157 1.00 4.81 C ATOM 462 O THR A 30 -38.285 7.238 -42.391 1.00 4.81 O ATOM 463 CB THR A 30 -37.416 9.384 -44.053 1.00 4.81 C ATOM 464 HB THR A 30 -37.192 8.378 -44.407 1.00 4.81 H ATOM 465 OG1 THR A 30 -36.377 9.798 -43.162 1.00 4.81 O ATOM 466 HG1 THR A 30 -36.274 9.108 -42.496 1.00 4.81 H ATOM 467 CG2 THR A 30 -37.414 10.339 -45.239 1.00 4.81 C ATOM 468 1HG2 THR A 30 -36.490 10.206 -45.798 1.00 4.81 H ATOM 469 2HG2 THR A 30 -37.475 11.369 -44.891 1.00 4.81 H ATOM 470 3HG2 THR A 30 -38.260 10.121 -45.893 1.00 4.81 H ATOM 471 N GLY A 31 -38.659 8.877 -40.920 1.00 6.80 N ATOM 472 H GLY A 31 -38.950 9.829 -40.757 1.00 6.80 H ATOM 473 CA GLY A 31 -38.280 8.034 -39.795 1.00 6.80 C ATOM 474 1HA GLY A 31 -38.676 8.452 -38.870 1.00 6.80 H ATOM 475 2HA GLY A 31 -38.686 7.032 -39.936 1.00 6.80 H ATOM 476 C GLY A 31 -36.767 7.943 -39.702 1.00 6.80 C ATOM 477 O GLY A 31 -36.143 6.966 -40.114 1.00 6.80 O ATOM 478 N CYS A 32 -36.158 9.016 -39.220 1.00 11.06 N ATOM 479 H CYS A 32 -36.704 9.767 -38.839 1.00 11.06 H ATOM 480 CA CYS A 32 -34.701 9.113 -39.178 1.00 11.06 C ATOM 481 HA CYS A 32 -34.293 8.855 -40.155 1.00 11.06 H ATOM 482 C CYS A 32 -34.081 8.185 -38.154 1.00 11.06 C ATOM 483 O CYS A 32 -32.859 8.001 -38.261 1.00 11.06 O ATOM 484 OXT CYS A 32 -34.759 7.668 -37.248 1.00 11.06 O ATOM 485 CB CYS A 32 -34.276 10.522 -38.802 1.00 11.06 C ATOM 486 1HB CYS A 32 -33.192 10.559 -38.798 1.00 11.06 H ATOM 487 2HB CYS A 32 -34.656 11.227 -39.536 1.00 11.06 H ATOM 488 SG CYS A 32 -34.851 10.980 -37.142 1.00 11.06 S TER 489 CYS A 32 CONECT 415 412 488 CONECT 488 415 485 END