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\risultati_grimd_abalone\pdb_final\ILPILGNLLNGLL.pdb REMARK YASARA Written on: Wed May 14 16:32:42 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 211 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 ILE LEU PRO ILE LEU GLY ASN LEU LEU ASN GLY LEU LEU ATOM 1 N ILE 1 -8.792 -13.746 16.800 1.00 -0.42 N ATOM 2 1H ILE 1 -8.101 -14.055 17.467 1.00 -0.42 H ATOM 3 2H ILE 1 -8.418 -12.966 16.274 1.00 -0.42 H ATOM 4 3H ILE 1 -9.616 -13.433 17.297 1.00 0.27 H ATOM 5 CA ILE 1 -9.144 -14.863 15.882 1.00 -0.06 C ATOM 6 HA ILE 1 -8.225 -15.182 15.393 1.00 0.09 H ATOM 7 C ILE 1 -10.068 -14.393 14.762 1.00 0.60 C ATOM 8 O ILE 1 -9.921 -14.861 13.641 1.00 -0.57 O ATOM 9 CB ILE 1 -9.708 -16.106 16.641 1.00 0.13 C ATOM 10 HB ILE 1 -9.956 -16.860 15.892 1.00 0.02 H ATOM 11 CG1 ILE 1 -10.993 -15.779 17.430 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -10.735 -15.127 18.263 1.00 0.02 H ATOM 13 2HG1 ILE 1 -11.680 -15.244 16.778 1.00 0.02 H ATOM 14 CG2 ILE 1 -8.615 -16.702 17.574 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -7.687 -16.861 17.019 1.00 0.09 H ATOM 16 2HG2 ILE 1 -8.421 -16.052 18.429 1.00 0.09 H ATOM 17 3HG2 ILE 1 -8.941 -17.676 17.948 1.00 0.09 H ATOM 18 CD1 ILE 1 -11.747 -16.992 17.989 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -12.679 -16.657 18.446 1.00 0.02 H ATOM 20 2HD1 ILE 1 -11.982 -17.691 17.184 1.00 0.02 H ATOM 21 3HD1 ILE 1 -11.149 -17.498 18.747 1.00 0.02 H ATOM 22 N LEU 2 -10.945 -13.421 14.995 1.00 -0.42 N ATOM 23 H LEU 2 -11.113 -13.069 15.935 1.00 0.27 H ATOM 24 CA LEU 2 -11.555 -12.690 13.881 1.00 -0.05 C ATOM 25 HA LEU 2 -11.961 -13.392 13.153 1.00 0.09 H ATOM 26 C LEU 2 -10.344 -11.951 13.291 1.00 0.60 C ATOM 27 O LEU 2 -9.474 -11.566 14.062 1.00 -0.57 O ATOM 28 CB LEU 2 -12.672 -11.791 14.441 1.00 -0.11 C ATOM 29 1HB LEU 2 -13.373 -12.466 14.931 1.00 0.05 H ATOM 30 2HB LEU 2 -12.247 -11.170 15.224 1.00 0.05 H ATOM 31 CG LEU 2 -13.511 -10.882 13.531 1.00 0.35 C ATOM 32 HG LEU 2 -13.760 -11.433 12.626 1.00 -0.04 H ATOM 33 CD1 LEU 2 -14.811 -10.529 14.251 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -15.428 -9.897 13.610 1.00 0.10 H ATOM 35 2HD1 LEU 2 -15.373 -11.437 14.472 1.00 0.10 H ATOM 36 3HD1 LEU 2 -14.604 -9.998 15.182 1.00 0.10 H ATOM 37 CD2 LEU 2 -12.806 -9.582 13.146 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -12.571 -9.001 14.038 1.00 0.10 H ATOM 39 2HD2 LEU 2 -11.898 -9.793 12.597 1.00 0.10 H ATOM 40 3HD2 LEU 2 -13.465 -8.991 12.506 1.00 0.10 H ATOM 41 N PRO 3 -10.197 -11.831 11.957 1.00 -0.25 N ATOM 42 CA PRO 3 -8.843 -11.475 11.491 1.00 -0.03 C ATOM 43 HA PRO 3 -8.165 -12.273 11.796 1.00 0.06 H ATOM 44 C PRO 3 -8.214 -10.148 11.938 1.00 0.59 C ATOM 45 O PRO 3 -7.048 -10.126 12.315 1.00 -0.57 O ATOM 46 CB PRO 3 -8.985 -11.500 9.966 1.00 -0.01 C ATOM 47 1HB PRO 3 -9.215 -10.504 9.587 1.00 0.03 H ATOM 48 2HB PRO 3 -8.076 -11.883 9.502 1.00 0.03 H ATOM 49 CG PRO 3 -10.114 -12.424 9.721 1.00 0.02 C ATOM 50 1HG PRO 3 -10.561 -12.245 8.742 1.00 0.02 H ATOM 51 2HG PRO 3 -9.765 -13.455 9.799 1.00 0.02 H ATOM 52 CD PRO 3 -11.085 -12.134 10.819 1.00 0.02 C ATOM 53 1HD PRO 3 -11.697 -11.265 10.572 1.00 0.04 H ATOM 54 2HD PRO 3 -11.708 -13.007 11.015 1.00 0.04 H ATOM 55 N ILE 4 -8.955 -9.046 11.969 1.00 -0.42 N ATOM 56 H ILE 4 -9.905 -9.061 11.637 1.00 0.27 H ATOM 57 CA ILE 4 -8.389 -7.772 12.447 1.00 -0.06 C ATOM 58 HA ILE 4 -7.384 -7.667 12.034 1.00 0.09 H ATOM 59 C ILE 4 -8.246 -7.776 13.972 1.00 0.60 C ATOM 60 O ILE 4 -7.557 -6.958 14.575 1.00 -0.57 O ATOM 61 CB ILE 4 -9.217 -6.547 11.961 1.00 0.13 C ATOM 62 HB ILE 4 -8.723 -5.644 12.322 1.00 0.02 H ATOM 63 CG1 ILE 4 -10.650 -6.577 12.526 1.00 -0.04 C ATOM 64 1HG1 ILE 4 -11.198 -7.384 12.045 1.00 0.02 H ATOM 65 2HG1 ILE 4 -10.601 -6.787 13.590 1.00 0.02 H ATOM 66 CG2 ILE 4 -9.229 -6.506 10.409 1.00 -0.32 C ATOM 67 1HG2 ILE 4 -9.813 -7.331 9.999 1.00 0.09 H ATOM 68 2HG2 ILE 4 -9.659 -5.564 10.066 1.00 0.09 H ATOM 69 3HG2 ILE 4 -8.207 -6.567 10.030 1.00 0.09 H ATOM 70 CD1 ILE 4 -11.450 -5.284 12.352 1.00 -0.07 C ATOM 71 1HD1 ILE 4 -11.621 -5.082 11.294 1.00 0.02 H ATOM 72 2HD1 ILE 4 -12.415 -5.387 12.851 1.00 0.02 H ATOM 73 3HD1 ILE 4 -10.908 -4.449 12.799 1.00 0.02 H ATOM 74 N LEU 5 -8.856 -8.779 14.580 1.00 -0.42 N ATOM 75 H LEU 5 -9.342 -9.460 14.014 1.00 0.27 H ATOM 76 CA LEU 5 -8.845 -9.029 16.015 1.00 -0.05 C ATOM 77 HA LEU 5 -8.475 -8.158 16.556 1.00 0.09 H ATOM 78 C LEU 5 -7.865 -10.193 16.230 1.00 0.60 C ATOM 79 O LEU 5 -8.003 -11.026 17.122 1.00 -0.57 O ATOM 80 CB LEU 5 -10.283 -9.326 16.455 1.00 -0.11 C ATOM 81 1HB LEU 5 -10.856 -9.544 15.561 1.00 0.05 H ATOM 82 2HB LEU 5 -10.286 -10.221 17.063 1.00 0.05 H ATOM 83 CG LEU 5 -11.030 -8.238 17.238 1.00 0.35 C ATOM 84 HG LEU 5 -10.490 -8.065 18.164 1.00 -0.04 H ATOM 85 CD1 LEU 5 -11.154 -6.904 16.506 1.00 -0.41 C ATOM 86 1HD1 LEU 5 -11.706 -7.032 15.576 1.00 0.10 H ATOM 87 2HD1 LEU 5 -11.687 -6.193 17.140 1.00 0.10 H ATOM 88 3HD1 LEU 5 -10.165 -6.497 16.293 1.00 0.10 H ATOM 89 CD2 LEU 5 -12.431 -8.741 17.574 1.00 -0.41 C ATOM 90 1HD2 LEU 5 -12.907 -8.043 18.268 1.00 0.10 H ATOM 91 2HD2 LEU 5 -13.037 -8.821 16.672 1.00 0.10 H ATOM 92 3HD2 LEU 5 -12.376 -9.715 18.058 1.00 0.10 H ATOM 93 N GLY 6 -6.841 -10.235 15.386 1.00 -0.42 N ATOM 94 H GLY 6 -6.928 -9.838 14.457 1.00 0.27 H ATOM 95 CA GLY 6 -5.548 -10.766 15.793 1.00 -0.03 C ATOM 96 1HA GLY 6 -5.666 -11.767 16.207 1.00 0.07 H ATOM 97 2HA GLY 6 -4.879 -10.800 14.933 1.00 0.07 H ATOM 98 C GLY 6 -4.959 -9.852 16.854 1.00 0.60 C ATOM 99 O GLY 6 -4.198 -10.275 17.718 1.00 -0.57 O ATOM 100 N ASN 7 -5.387 -8.595 16.831 1.00 -0.42 N ATOM 101 H ASN 7 -5.965 -8.289 16.065 1.00 0.27 H ATOM 102 CA ASN 7 -5.158 -7.679 17.946 1.00 0.01 C ATOM 103 HA ASN 7 -4.091 -7.606 18.161 1.00 0.10 H ATOM 104 C ASN 7 -5.880 -8.240 19.170 1.00 0.60 C ATOM 105 O ASN 7 -6.874 -8.949 19.036 1.00 -0.57 O ATOM 106 CB ASN 7 -5.722 -6.290 17.628 1.00 -0.20 C ATOM 107 1HB ASN 7 -6.712 -6.390 17.186 1.00 0.08 H ATOM 108 2HB ASN 7 -5.810 -5.724 18.554 1.00 0.08 H ATOM 109 CG ASN 7 -4.829 -5.503 16.709 1.00 0.71 C ATOM 110 OD1 ASN 7 -3.798 -5.014 17.129 1.00 -0.59 O ATOM 111 ND2 ASN 7 -5.208 -5.366 15.469 1.00 -0.92 N ATOM 112 1HD2 ASN 7 -4.618 -4.842 14.846 1.00 0.42 H ATOM 113 2HD2 ASN 7 -6.073 -5.786 15.144 1.00 0.42 H ATOM 114 N LEU 8 -5.426 -7.866 20.359 1.00 -0.42 N ATOM 115 H LEU 8 -4.645 -7.230 20.411 1.00 0.27 H ATOM 116 CA LEU 8 -5.969 -8.387 21.621 1.00 -0.05 C ATOM 117 HA LEU 8 -5.849 -9.471 21.630 1.00 0.09 H ATOM 118 C LEU 8 -7.454 -8.115 21.855 1.00 0.60 C ATOM 119 O LEU 8 -8.068 -8.767 22.684 1.00 -0.57 O ATOM 120 CB LEU 8 -5.196 -7.809 22.813 1.00 -0.11 C ATOM 121 1HB LEU 8 -4.973 -6.763 22.607 1.00 0.05 H ATOM 122 2HB LEU 8 -5.875 -7.824 23.664 1.00 0.05 H ATOM 123 CG LEU 8 -3.913 -8.508 23.286 1.00 0.35 C ATOM 124 HG LEU 8 -4.142 -9.557 23.466 1.00 -0.04 H ATOM 125 CD1 LEU 8 -2.758 -8.437 22.284 1.00 -0.41 C ATOM 126 1HD1 LEU 8 -2.513 -7.399 22.059 1.00 0.10 H ATOM 127 2HD1 LEU 8 -1.879 -8.927 22.706 1.00 0.10 H ATOM 128 3HD1 LEU 8 -3.028 -8.961 21.367 1.00 0.10 H ATOM 129 CD2 LEU 8 -3.475 -7.887 24.610 1.00 -0.41 C ATOM 130 1HD2 LEU 8 -2.600 -8.412 24.994 1.00 0.10 H ATOM 131 2HD2 LEU 8 -3.236 -6.831 24.479 1.00 0.10 H ATOM 132 3HD2 LEU 8 -4.281 -7.981 25.345 1.00 0.10 H ATOM 133 N LEU 9 -8.035 -7.216 21.069 1.00 -0.42 N ATOM 134 H LEU 9 -7.470 -6.788 20.362 1.00 0.27 H ATOM 135 CA LEU 9 -9.444 -6.809 21.142 1.00 -0.05 C ATOM 136 HA LEU 9 -9.622 -6.429 22.147 1.00 0.09 H ATOM 137 C LEU 9 -10.480 -7.926 20.896 1.00 0.60 C ATOM 138 O LEU 9 -11.686 -7.718 20.917 1.00 -0.57 O ATOM 139 CB LEU 9 -9.620 -5.648 20.153 1.00 -0.11 C ATOM 140 1HB LEU 9 -8.753 -5.000 20.280 1.00 0.05 H ATOM 141 2HB LEU 9 -9.565 -6.063 19.149 1.00 0.05 H ATOM 142 CG LEU 9 -10.858 -4.735 20.214 1.00 0.35 C ATOM 143 HG LEU 9 -11.747 -5.326 20.008 1.00 -0.04 H ATOM 144 CD1 LEU 9 -11.026 -4.058 21.571 1.00 -0.41 C ATOM 145 1HD1 LEU 9 -11.887 -3.392 21.553 1.00 0.10 H ATOM 146 2HD1 LEU 9 -11.206 -4.813 22.344 1.00 0.10 H ATOM 147 3HD1 LEU 9 -10.134 -3.492 21.836 1.00 0.10 H ATOM 148 CD2 LEU 9 -10.739 -3.664 19.127 1.00 -0.41 C ATOM 149 1HD2 LEU 9 -10.643 -4.136 18.150 1.00 0.10 H ATOM 150 2HD2 LEU 9 -11.639 -3.049 19.129 1.00 0.10 H ATOM 151 3HD2 LEU 9 -9.873 -3.028 19.315 1.00 0.10 H ATOM 152 N ASN 10 -10.015 -9.153 20.718 1.00 -0.42 N ATOM 153 H ASN 10 -9.014 -9.283 20.692 1.00 0.27 H ATOM 154 CA ASN 10 -10.875 -10.335 20.710 1.00 0.01 C ATOM 155 HA ASN 10 -11.830 -10.061 20.264 1.00 0.10 H ATOM 156 C ASN 10 -11.140 -10.825 22.150 1.00 0.60 C ATOM 157 O ASN 10 -11.241 -12.031 22.379 1.00 -0.57 O ATOM 158 CB ASN 10 -10.218 -11.429 19.851 1.00 -0.20 C ATOM 159 1HB ASN 10 -9.603 -10.943 19.100 1.00 0.08 H ATOM 160 2HB ASN 10 -9.570 -12.045 20.474 1.00 0.08 H ATOM 161 CG ASN 10 -11.226 -12.310 19.125 1.00 0.71 C ATOM 162 OD1 ASN 10 -11.151 -12.483 17.908 1.00 -0.59 O ATOM 163 ND2 ASN 10 -12.139 -12.898 19.840 1.00 -0.92 N ATOM 164 1HD2 ASN 10 -12.838 -13.461 19.391 1.00 0.42 H ATOM 165 2HD2 ASN 10 -12.122 -12.786 20.853 1.00 0.42 H ATOM 166 N GLY 11 -11.240 -9.922 23.118 1.00 -0.42 N ATOM 167 H GLY 11 -11.155 -8.927 22.911 1.00 0.27 H ATOM 168 CA GLY 11 -11.544 -10.302 24.493 1.00 -0.03 C ATOM 169 1HA GLY 11 -12.218 -9.545 24.896 1.00 0.07 H ATOM 170 2HA GLY 11 -12.079 -11.251 24.497 1.00 0.07 H ATOM 171 C GLY 11 -10.380 -10.408 25.459 1.00 0.60 C ATOM 172 O GLY 11 -10.558 -10.857 26.589 1.00 -0.57 O ATOM 173 N LEU 12 -9.198 -9.972 25.044 1.00 -0.42 N ATOM 174 H LEU 12 -9.091 -9.650 24.085 1.00 0.27 H ATOM 175 CA LEU 12 -8.035 -9.843 25.933 1.00 -0.05 C ATOM 176 HA LEU 12 -8.252 -10.293 26.901 1.00 0.09 H ATOM 177 C LEU 12 -7.773 -8.348 26.128 1.00 0.60 C ATOM 178 O LEU 12 -6.806 -7.935 26.772 1.00 -0.57 O ATOM 179 CB LEU 12 -6.802 -10.516 25.320 1.00 -0.11 C ATOM 180 1HB LEU 12 -6.566 -9.991 24.399 1.00 0.05 H ATOM 181 2HB LEU 12 -5.966 -10.369 26.004 1.00 0.05 H ATOM 182 CG LEU 12 -6.885 -12.012 24.986 1.00 0.35 C ATOM 183 HG LEU 12 -7.719 -12.175 24.304 1.00 -0.04 H ATOM 184 CD1 LEU 12 -5.601 -12.438 24.272 1.00 -0.41 C ATOM 185 1HD1 LEU 12 -5.665 -13.492 24.003 1.00 0.10 H ATOM 186 2HD1 LEU 12 -5.475 -11.851 23.362 1.00 0.10 H ATOM 187 3HD1 LEU 12 -4.739 -12.284 24.923 1.00 0.10 H ATOM 188 CD2 LEU 12 -7.098 -12.881 26.227 1.00 -0.41 C ATOM 189 1HD2 LEU 12 -8.058 -12.634 26.685 1.00 0.10 H ATOM 190 2HD2 LEU 12 -7.115 -13.932 25.941 1.00 0.10 H ATOM 191 3HD2 LEU 12 -6.299 -12.711 26.950 1.00 0.10 H ATOM 192 N LEU 13 -8.648 -7.572 25.507 1.00 -0.42 N ATOM 193 H LEU 13 -9.408 -8.005 24.993 1.00 0.27 H ATOM 194 CA LEU 13 -8.696 -6.116 25.476 1.00 -0.05 C ATOM 195 HA LEU 13 -8.609 -5.683 26.471 1.00 0.09 H ATOM 196 C LEU 13 -10.110 -5.943 24.929 1.00 0.60 C ATOM 197 O LEU 13 -10.741 -4.887 25.091 1.00 -0.57 O ATOM 198 OXT LEU 13 -10.559 -6.954 24.326 1.00 -0.57 O ATOM 199 CB LEU 13 -7.649 -5.558 24.504 1.00 -0.11 C ATOM 200 1HB LEU 13 -6.667 -5.815 24.897 1.00 0.05 H ATOM 201 2HB LEU 13 -7.782 -6.088 23.570 1.00 0.05 H ATOM 202 CG LEU 13 -7.650 -4.063 24.172 1.00 0.35 C ATOM 203 HG LEU 13 -8.620 -3.790 23.763 1.00 -0.04 H ATOM 204 CD1 LEU 13 -7.380 -3.208 25.400 1.00 -0.41 C ATOM 205 1HD1 LEU 13 -7.333 -2.158 25.116 1.00 0.10 H ATOM 206 2HD1 LEU 13 -8.202 -3.336 26.107 1.00 0.10 H ATOM 207 3HD1 LEU 13 -6.446 -3.508 25.874 1.00 0.10 H ATOM 208 CD2 LEU 13 -6.592 -3.803 23.101 1.00 -0.41 C ATOM 209 1HD2 LEU 13 -6.825 -4.388 22.213 1.00 0.10 H ATOM 210 2HD2 LEU 13 -6.602 -2.746 22.835 1.00 0.10 H ATOM 211 3HD2 LEU 13 -5.605 -4.074 23.475 1.00 0.10 H TER 212 LEU 13 END