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\INWLKLGKAIIDAL.pdb REMARK YASARA Written on: Wed May 14 17:40:24 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 238 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 14 ILE ASN TRP LEU LYS LEU GLY LYS ALA ILE ILE ASP ALA SEQRES 2 14 LEU ATOM 1 N ILE 1 -10.332 -18.029 22.054 1.00 -0.42 N ATOM 2 1H ILE 1 -9.951 -18.309 22.949 1.00 -0.42 H ATOM 3 2H ILE 1 -11.203 -17.540 22.205 1.00 -0.42 H ATOM 4 3H ILE 1 -10.493 -18.856 21.496 1.00 0.27 H ATOM 5 CA ILE 1 -9.355 -17.134 21.365 1.00 -0.06 C ATOM 6 HA ILE 1 -9.204 -16.242 21.975 1.00 0.09 H ATOM 7 C ILE 1 -9.841 -16.675 19.982 1.00 0.60 C ATOM 8 O ILE 1 -9.128 -15.931 19.326 1.00 -0.57 O ATOM 9 CB ILE 1 -7.978 -17.853 21.212 1.00 0.13 C ATOM 10 HB ILE 1 -7.300 -17.177 20.690 1.00 0.02 H ATOM 11 CG1 ILE 1 -8.122 -19.139 20.367 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -8.689 -19.877 20.935 1.00 0.02 H ATOM 13 2HG1 ILE 1 -8.681 -18.908 19.461 1.00 0.02 H ATOM 14 CG2 ILE 1 -7.367 -18.148 22.609 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -7.910 -18.936 23.132 1.00 0.09 H ATOM 16 2HG2 ILE 1 -6.331 -18.476 22.492 1.00 0.09 H ATOM 17 3HG2 ILE 1 -7.349 -17.244 23.223 1.00 0.09 H ATOM 18 CD1 ILE 1 -6.803 -19.783 19.934 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -7.014 -20.633 19.284 1.00 0.02 H ATOM 20 2HD1 ILE 1 -6.192 -19.063 19.385 1.00 0.02 H ATOM 21 3HD1 ILE 1 -6.247 -20.142 20.801 1.00 0.02 H ATOM 22 N ASN 2 -11.018 -17.069 19.496 1.00 -0.42 N ATOM 23 H ASN 2 -11.676 -17.606 20.036 1.00 0.27 H ATOM 24 CA ASN 2 -11.354 -16.821 18.084 1.00 0.01 C ATOM 25 HA ASN 2 -10.539 -17.237 17.489 1.00 0.10 H ATOM 26 C ASN 2 -11.494 -15.357 17.648 1.00 0.60 C ATOM 27 O ASN 2 -11.386 -15.050 16.470 1.00 -0.57 O ATOM 28 CB ASN 2 -12.628 -17.577 17.688 1.00 -0.20 C ATOM 29 1HB ASN 2 -12.605 -18.574 18.123 1.00 0.08 H ATOM 30 2HB ASN 2 -13.498 -17.043 18.065 1.00 0.08 H ATOM 31 CG ASN 2 -12.753 -17.733 16.185 1.00 0.71 C ATOM 32 OD1 ASN 2 -11.791 -18.067 15.517 1.00 -0.59 O ATOM 33 ND2 ASN 2 -13.922 -17.509 15.654 1.00 -0.92 N ATOM 34 1HD2 ASN 2 -14.019 -17.609 14.656 1.00 0.42 H ATOM 35 2HD2 ASN 2 -14.709 -17.252 16.220 1.00 0.42 H ATOM 36 N TRP 3 -11.638 -14.429 18.584 1.00 -0.42 N ATOM 37 H TRP 3 -11.738 -14.687 19.547 1.00 0.27 H ATOM 38 CA TRP 3 -11.604 -13.003 18.244 1.00 -0.03 C ATOM 39 HA TRP 3 -12.361 -12.798 17.488 1.00 0.11 H ATOM 40 C TRP 3 -10.271 -12.542 17.653 1.00 0.60 C ATOM 41 O TRP 3 -10.217 -11.474 17.067 1.00 -0.57 O ATOM 42 CB TRP 3 -11.917 -12.144 19.469 1.00 -0.00 C ATOM 43 1HB TRP 3 -11.428 -12.568 20.345 1.00 0.03 H ATOM 44 2HB TRP 3 -11.499 -11.153 19.305 1.00 0.03 H ATOM 45 CG TRP 3 -13.388 -11.969 19.735 1.00 -0.14 C ATOM 46 CD1 TRP 3 -14.421 -12.712 19.246 1.00 -0.16 C ATOM 47 HD1 TRP 3 -14.303 -13.551 18.571 1.00 0.21 H ATOM 48 CD2 TRP 3 -14.003 -10.956 20.553 1.00 0.12 C ATOM 49 NE1 TRP 3 -15.626 -12.261 19.709 1.00 -0.34 N ATOM 50 HE1 TRP 3 -16.523 -12.679 19.487 1.00 0.34 H ATOM 51 CE2 TRP 3 -15.410 -11.183 20.523 1.00 0.14 C ATOM 52 CE3 TRP 3 -13.508 -9.876 21.313 1.00 -0.24 C ATOM 53 HE3 TRP 3 -12.446 -9.668 21.352 1.00 0.17 H ATOM 54 CZ2 TRP 3 -16.318 -10.388 21.252 1.00 -0.26 C ATOM 55 HZ2 TRP 3 -17.378 -10.601 21.234 1.00 0.16 H ATOM 56 CZ3 TRP 3 -14.418 -9.072 22.048 1.00 -0.20 C ATOM 57 HZ3 TRP 3 -14.044 -8.254 22.650 1.00 0.14 H ATOM 58 CH2 TRP 3 -15.816 -9.347 22.017 1.00 -0.11 C ATOM 59 HH2 TRP 3 -16.491 -8.743 22.610 1.00 0.14 H ATOM 60 N LEU 4 -9.214 -13.337 17.738 1.00 -0.42 N ATOM 61 H LEU 4 -9.259 -14.198 18.272 1.00 0.27 H ATOM 62 CA LEU 4 -7.970 -13.013 17.036 1.00 -0.05 C ATOM 63 HA LEU 4 -7.658 -12.003 17.300 1.00 0.09 H ATOM 64 C LEU 4 -8.178 -13.062 15.524 1.00 0.60 C ATOM 65 O LEU 4 -7.669 -12.235 14.783 1.00 -0.57 O ATOM 66 CB LEU 4 -6.876 -14.004 17.448 1.00 -0.11 C ATOM 67 1HB LEU 4 -6.819 -14.004 18.536 1.00 0.05 H ATOM 68 2HB LEU 4 -7.186 -15.000 17.132 1.00 0.05 H ATOM 69 CG LEU 4 -5.458 -13.761 16.903 1.00 0.35 C ATOM 70 HG LEU 4 -5.494 -13.778 15.815 1.00 -0.04 H ATOM 71 CD1 LEU 4 -4.866 -12.421 17.348 1.00 -0.41 C ATOM 72 1HD1 LEU 4 -5.442 -11.598 16.924 1.00 0.10 H ATOM 73 2HD1 LEU 4 -4.864 -12.346 18.436 1.00 0.10 H ATOM 74 3HD1 LEU 4 -3.843 -12.331 16.981 1.00 0.10 H ATOM 75 CD2 LEU 4 -4.553 -14.898 17.367 1.00 -0.41 C ATOM 76 1HD2 LEU 4 -3.554 -14.760 16.950 1.00 0.10 H ATOM 77 2HD2 LEU 4 -4.483 -14.912 18.456 1.00 0.10 H ATOM 78 3HD2 LEU 4 -4.938 -15.853 17.011 1.00 0.10 H ATOM 79 N LYS 5 -8.991 -14.007 15.071 1.00 -0.35 N ATOM 80 H LYS 5 -9.451 -14.625 15.729 1.00 0.28 H ATOM 81 CA LYS 5 -9.293 -14.167 13.643 1.00 -0.24 C ATOM 82 HA LYS 5 -8.376 -14.069 13.062 1.00 0.14 H ATOM 83 C LYS 5 -10.255 -13.092 13.160 1.00 0.73 C ATOM 84 O LYS 5 -10.414 -12.878 11.969 1.00 -0.59 O ATOM 85 CB LYS 5 -9.927 -15.539 13.390 1.00 -0.01 C ATOM 86 1HB LYS 5 -10.865 -15.594 13.944 1.00 0.04 H ATOM 87 2HB LYS 5 -10.171 -15.612 12.332 1.00 0.04 H ATOM 88 CG LYS 5 -9.067 -16.749 13.795 1.00 0.02 C ATOM 89 1HG LYS 5 -8.834 -16.674 14.857 1.00 0.01 H ATOM 90 2HG LYS 5 -9.661 -17.653 13.656 1.00 0.01 H ATOM 91 CD LYS 5 -7.744 -16.899 13.023 1.00 -0.05 C ATOM 92 1HD LYS 5 -7.144 -16.000 13.164 1.00 0.06 H ATOM 93 2HD LYS 5 -7.191 -17.736 13.453 1.00 0.06 H ATOM 94 CE LYS 5 -7.919 -17.147 11.517 1.00 -0.01 C ATOM 95 1HE LYS 5 -8.442 -16.295 11.075 1.00 0.11 H ATOM 96 2HE LYS 5 -6.931 -17.210 11.058 1.00 0.11 H ATOM 97 NZ LYS 5 -8.685 -18.408 11.223 1.00 -0.38 N ATOM 98 1HZ LYS 5 -8.794 -18.518 10.223 1.00 0.17 H ATOM 99 2HZ LYS 5 -8.188 -19.206 11.593 1.00 0.17 H ATOM 100 3HZ LYS 5 -9.598 -18.359 11.653 1.00 0.17 H ATOM 101 N LEU 6 -10.874 -12.425 14.122 1.00 -0.42 N ATOM 102 H LEU 6 -10.668 -12.665 15.077 1.00 0.27 H ATOM 103 CA LEU 6 -11.829 -11.349 13.882 1.00 -0.05 C ATOM 104 HA LEU 6 -12.159 -11.376 12.841 1.00 0.09 H ATOM 105 C LEU 6 -11.149 -10.006 14.157 1.00 0.60 C ATOM 106 O LEU 6 -11.793 -8.966 14.217 1.00 -0.57 O ATOM 107 CB LEU 6 -13.029 -11.578 14.815 1.00 -0.11 C ATOM 108 1HB LEU 6 -13.254 -12.644 14.773 1.00 0.05 H ATOM 109 2HB LEU 6 -12.688 -11.364 15.825 1.00 0.05 H ATOM 110 CG LEU 6 -14.361 -10.834 14.626 1.00 0.35 C ATOM 111 HG LEU 6 -14.195 -9.767 14.753 1.00 -0.04 H ATOM 112 CD1 LEU 6 -14.972 -11.066 13.248 1.00 -0.41 C ATOM 113 1HD1 LEU 6 -15.111 -12.132 13.062 1.00 0.10 H ATOM 114 2HD1 LEU 6 -15.934 -10.559 13.179 1.00 0.10 H ATOM 115 3HD1 LEU 6 -14.316 -10.652 12.479 1.00 0.10 H ATOM 116 CD2 LEU 6 -15.343 -11.296 15.708 1.00 -0.41 C ATOM 117 1HD2 LEU 6 -16.272 -10.733 15.622 1.00 0.10 H ATOM 118 2HD2 LEU 6 -15.562 -12.357 15.583 1.00 0.10 H ATOM 119 3HD2 LEU 6 -14.915 -11.127 16.695 1.00 0.10 H ATOM 120 N GLY 7 -9.847 -10.041 14.415 1.00 -0.42 N ATOM 121 H GLY 7 -9.350 -10.924 14.376 1.00 0.27 H ATOM 122 CA GLY 7 -9.077 -8.855 14.772 1.00 -0.03 C ATOM 123 1HA GLY 7 -8.020 -9.075 14.622 1.00 0.07 H ATOM 124 2HA GLY 7 -9.351 -8.049 14.090 1.00 0.07 H ATOM 125 C GLY 7 -9.256 -8.345 16.192 1.00 0.60 C ATOM 126 O GLY 7 -8.307 -7.898 16.829 1.00 -0.57 O ATOM 127 N LYS 8 -10.470 -8.433 16.718 1.00 -0.35 N ATOM 128 H LYS 8 -11.182 -8.873 16.144 1.00 0.28 H ATOM 129 CA LYS 8 -10.861 -7.860 18.013 1.00 -0.24 C ATOM 130 HA LYS 8 -10.775 -6.777 17.935 1.00 0.14 H ATOM 131 C LYS 8 -10.071 -8.253 19.254 1.00 0.73 C ATOM 132 O LYS 8 -10.187 -7.578 20.267 1.00 -0.59 O ATOM 133 CB LYS 8 -12.322 -8.211 18.304 1.00 -0.01 C ATOM 134 1HB LYS 8 -12.413 -9.295 18.348 1.00 0.04 H ATOM 135 2HB LYS 8 -12.567 -7.808 19.286 1.00 0.04 H ATOM 136 CG LYS 8 -13.336 -7.686 17.294 1.00 0.02 C ATOM 137 1HG LYS 8 -13.235 -6.603 17.206 1.00 0.01 H ATOM 138 2HG LYS 8 -13.133 -8.138 16.325 1.00 0.01 H ATOM 139 CD LYS 8 -14.771 -8.030 17.695 1.00 -0.05 C ATOM 140 1HD LYS 8 -15.419 -7.847 16.836 1.00 0.06 H ATOM 141 2HD LYS 8 -14.821 -9.087 17.956 1.00 0.06 H ATOM 142 CE LYS 8 -15.275 -7.191 18.873 1.00 -0.01 C ATOM 143 1HE LYS 8 -14.615 -7.337 19.732 1.00 0.11 H ATOM 144 2HE LYS 8 -15.250 -6.136 18.592 1.00 0.11 H ATOM 145 NZ LYS 8 -16.672 -7.575 19.263 1.00 -0.38 N ATOM 146 1HZ LYS 8 -17.002 -6.966 19.999 1.00 0.17 H ATOM 147 2HZ LYS 8 -17.287 -7.494 18.464 1.00 0.17 H ATOM 148 3HZ LYS 8 -16.681 -8.530 19.600 1.00 0.17 H ATOM 149 N ALA 9 -9.292 -9.322 19.219 1.00 -0.42 N ATOM 150 H ALA 9 -9.208 -9.837 18.352 1.00 0.27 H ATOM 151 CA ALA 9 -8.553 -9.751 20.408 1.00 0.03 C ATOM 152 HA ALA 9 -9.266 -9.854 21.229 1.00 0.08 H ATOM 153 C ALA 9 -7.478 -8.765 20.881 1.00 0.60 C ATOM 154 O ALA 9 -7.071 -8.834 22.032 1.00 -0.57 O ATOM 155 CB ALA 9 -7.919 -11.115 20.164 1.00 -0.18 C ATOM 156 1HB ALA 9 -8.689 -11.850 19.956 1.00 0.06 H ATOM 157 2HB ALA 9 -7.219 -11.054 19.329 1.00 0.06 H ATOM 158 3HB ALA 9 -7.371 -11.422 21.059 1.00 0.06 H ATOM 159 N ILE 10 -7.006 -7.866 20.025 1.00 -0.42 N ATOM 160 H ILE 10 -7.373 -7.809 19.084 1.00 0.27 H ATOM 161 CA ILE 10 -5.905 -6.973 20.413 1.00 -0.06 C ATOM 162 HA ILE 10 -5.110 -7.621 20.785 1.00 0.09 H ATOM 163 C ILE 10 -6.220 -6.000 21.552 1.00 0.60 C ATOM 164 O ILE 10 -5.309 -5.443 22.140 1.00 -0.57 O ATOM 165 CB ILE 10 -5.296 -6.170 19.214 1.00 0.13 C ATOM 166 HB ILE 10 -4.331 -5.800 19.560 1.00 0.02 H ATOM 167 CG1 ILE 10 -6.103 -4.906 18.819 1.00 -0.04 C ATOM 168 1HG1 ILE 10 -6.180 -4.258 19.690 1.00 0.02 H ATOM 169 2HG1 ILE 10 -5.508 -4.365 18.082 1.00 0.02 H ATOM 170 CG2 ILE 10 -5.009 -7.108 18.016 1.00 -0.32 C ATOM 171 1HG2 ILE 10 -4.400 -7.951 18.341 1.00 0.09 H ATOM 172 2HG2 ILE 10 -5.933 -7.478 17.573 1.00 0.09 H ATOM 173 3HG2 ILE 10 -4.455 -6.559 17.253 1.00 0.09 H ATOM 174 CD1 ILE 10 -7.511 -5.065 18.233 1.00 -0.07 C ATOM 175 1HD1 ILE 10 -7.455 -5.556 17.263 1.00 0.02 H ATOM 176 2HD1 ILE 10 -8.141 -5.645 18.906 1.00 0.02 H ATOM 177 3HD1 ILE 10 -7.953 -4.078 18.099 1.00 0.02 H ATOM 178 N ILE 11 -7.492 -5.823 21.889 1.00 -0.42 N ATOM 179 H ILE 11 -8.197 -6.432 21.507 1.00 0.27 H ATOM 180 CA ILE 11 -7.914 -4.759 22.804 1.00 -0.06 C ATOM 181 HA ILE 11 -7.421 -3.839 22.500 1.00 0.09 H ATOM 182 C ILE 11 -7.510 -4.999 24.260 1.00 0.60 C ATOM 183 O ILE 11 -7.618 -4.102 25.085 1.00 -0.57 O ATOM 184 CB ILE 11 -9.451 -4.522 22.721 1.00 0.13 C ATOM 185 HB ILE 11 -9.695 -3.671 23.357 1.00 0.02 H ATOM 186 CG1 ILE 11 -10.231 -5.748 23.244 1.00 -0.04 C ATOM 187 1HG1 ILE 11 -10.011 -6.606 22.612 1.00 0.02 H ATOM 188 2HG1 ILE 11 -9.884 -5.983 24.251 1.00 0.02 H ATOM 189 CG2 ILE 11 -9.845 -4.155 21.263 1.00 -0.32 C ATOM 190 1HG2 ILE 11 -10.869 -3.782 21.240 1.00 0.09 H ATOM 191 2HG2 ILE 11 -9.186 -3.366 20.892 1.00 0.09 H ATOM 192 3HG2 ILE 11 -9.763 -5.025 20.614 1.00 0.09 H ATOM 193 CD1 ILE 11 -11.756 -5.583 23.313 1.00 -0.07 C ATOM 194 1HD1 ILE 11 -12.172 -5.503 22.310 1.00 0.02 H ATOM 195 2HD1 ILE 11 -12.184 -6.458 23.801 1.00 0.02 H ATOM 196 3HD1 ILE 11 -12.005 -4.692 23.891 1.00 0.02 H ATOM 197 N ASP 12 -7.009 -6.190 24.555 1.00 -0.52 N ATOM 198 H ASP 12 -6.933 -6.891 23.833 1.00 0.29 H ATOM 199 CA ASP 12 -6.527 -6.538 25.897 1.00 0.04 C ATOM 200 HA ASP 12 -7.110 -5.996 26.641 1.00 0.09 H ATOM 201 C ASP 12 -5.047 -6.157 26.045 1.00 0.54 C ATOM 202 O ASP 12 -4.387 -6.477 27.030 1.00 -0.58 O ATOM 203 CB ASP 12 -6.705 -8.047 26.109 1.00 -0.03 C ATOM 204 1HB ASP 12 -7.642 -8.354 25.645 1.00 -0.01 H ATOM 205 2HB ASP 12 -5.887 -8.572 25.613 1.00 -0.01 H ATOM 206 CG ASP 12 -6.750 -8.447 27.582 1.00 0.80 C ATOM 207 OD1 ASP 12 -6.273 -9.561 27.902 1.00 -0.55 O ATOM 208 OD2 ASP 12 -7.358 -7.717 28.397 1.00 -0.55 O ATOM 209 N ALA 13 -4.512 -5.511 25.014 1.00 -0.42 N ATOM 210 H ALA 13 -5.095 -5.278 24.218 1.00 0.27 H ATOM 211 CA ALA 13 -3.101 -5.139 24.939 1.00 0.03 C ATOM 212 HA ALA 13 -2.726 -5.003 25.955 1.00 0.08 H ATOM 213 C ALA 13 -2.895 -3.815 24.181 1.00 0.60 C ATOM 214 O ALA 13 -1.993 -3.708 23.340 1.00 -0.57 O ATOM 215 CB ALA 13 -2.316 -6.283 24.270 1.00 -0.18 C ATOM 216 1HB ALA 13 -2.673 -6.418 23.249 1.00 0.06 H ATOM 217 2HB ALA 13 -1.255 -6.038 24.256 1.00 0.06 H ATOM 218 3HB ALA 13 -2.468 -7.201 24.837 1.00 0.06 H ATOM 219 N LEU 14 -3.738 -2.830 24.464 1.00 -0.42 N ATOM 220 H LEU 14 -4.447 -2.969 25.170 1.00 0.27 H ATOM 221 CA LEU 14 -3.630 -1.485 23.883 1.00 -0.05 C ATOM 222 HA LEU 14 -2.752 -1.426 23.243 1.00 0.09 H ATOM 223 C LEU 14 -3.447 -0.486 25.017 1.00 0.60 C ATOM 224 O LEU 14 -3.239 0.713 24.742 1.00 -0.57 O ATOM 225 OXT LEU 14 -3.554 -0.932 26.177 1.00 -0.57 O ATOM 226 CB LEU 14 -4.881 -1.115 23.071 1.00 -0.11 C ATOM 227 1HB LEU 14 -5.734 -1.168 23.747 1.00 0.05 H ATOM 228 2HB LEU 14 -4.768 -0.073 22.774 1.00 0.05 H ATOM 229 CG LEU 14 -5.213 -1.919 21.810 1.00 0.35 C ATOM 230 HG LEU 14 -5.379 -2.950 22.092 1.00 -0.04 H ATOM 231 CD1 LEU 14 -6.505 -1.378 21.199 1.00 -0.41 C ATOM 232 1HD1 LEU 14 -6.371 -0.338 20.903 1.00 0.10 H ATOM 233 2HD1 LEU 14 -6.772 -1.975 20.330 1.00 0.10 H ATOM 234 3HD1 LEU 14 -7.304 -1.442 21.936 1.00 0.10 H ATOM 235 CD2 LEU 14 -4.095 -1.873 20.772 1.00 -0.41 C ATOM 236 1HD2 LEU 14 -4.398 -2.404 19.874 1.00 0.10 H ATOM 237 2HD2 LEU 14 -3.848 -0.840 20.535 1.00 0.10 H ATOM 238 3HD2 LEU 14 -3.211 -2.366 21.181 1.00 0.10 H TER 239 LEU 14 END