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\FLPFLATLLSKVL.pdb REMARK YASARA Written on: Wed May 14 16:50:20 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 225 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU PRO PHE LEU ALA THR LEU LEU SER LYS VAL LEU ATOM 1 N PHE 1 -3.437 -1.191 19.722 1.00 -0.42 N ATOM 2 1H PHE 1 -3.624 -0.197 19.740 1.00 -0.42 H ATOM 3 2H PHE 1 -3.258 -1.512 20.663 1.00 -0.42 H ATOM 4 3H PHE 1 -2.628 -1.365 19.144 1.00 0.27 H ATOM 5 CA PHE 1 -4.620 -1.906 19.166 1.00 -0.00 C ATOM 6 HA PHE 1 -5.484 -1.674 19.789 1.00 0.10 H ATOM 7 C PHE 1 -4.439 -3.422 19.190 1.00 0.60 C ATOM 8 O PHE 1 -5.377 -4.110 19.551 1.00 -0.57 O ATOM 9 CB PHE 1 -4.927 -1.432 17.744 1.00 -0.03 C ATOM 10 1HB PHE 1 -5.111 -0.357 17.773 1.00 0.03 H ATOM 11 2HB PHE 1 -4.061 -1.616 17.108 1.00 0.03 H ATOM 12 CG PHE 1 -6.131 -2.103 17.137 1.00 0.01 C ATOM 13 CD1 PHE 1 -7.415 -1.885 17.675 1.00 -0.13 C ATOM 14 HD1 PHE 1 -7.552 -1.212 18.509 1.00 0.13 H ATOM 15 CD2 PHE 1 -5.989 -2.966 16.035 1.00 -0.13 C ATOM 16 HD2 PHE 1 -5.014 -3.142 15.602 1.00 0.13 H ATOM 17 CE1 PHE 1 -8.549 -2.533 17.128 1.00 -0.17 C ATOM 18 HE1 PHE 1 -9.530 -2.361 17.550 1.00 0.14 H ATOM 19 CE2 PHE 1 -7.119 -3.602 15.464 1.00 -0.17 C ATOM 20 HE2 PHE 1 -7.004 -4.245 14.603 1.00 0.14 H ATOM 21 CZ PHE 1 -8.400 -3.395 16.022 1.00 -0.11 C ATOM 22 HZ PHE 1 -9.264 -3.888 15.597 1.00 0.13 H ATOM 23 N LEU 2 -3.277 -3.974 18.853 1.00 -0.42 N ATOM 24 H LEU 2 -2.469 -3.421 18.619 1.00 0.27 H ATOM 25 CA LEU 2 -3.134 -5.435 18.732 1.00 -0.05 C ATOM 26 HA LEU 2 -3.717 -5.722 17.856 1.00 0.09 H ATOM 27 C LEU 2 -3.651 -6.352 19.860 1.00 0.60 C ATOM 28 O LEU 2 -4.321 -7.329 19.544 1.00 -0.57 O ATOM 29 CB LEU 2 -1.666 -5.768 18.431 1.00 -0.11 C ATOM 30 1HB LEU 2 -1.340 -5.136 17.605 1.00 0.05 H ATOM 31 2HB LEU 2 -1.075 -5.499 19.306 1.00 0.05 H ATOM 32 CG LEU 2 -1.320 -7.225 18.071 1.00 0.35 C ATOM 33 HG LEU 2 -1.616 -7.869 18.897 1.00 -0.04 H ATOM 34 CD1 LEU 2 -2.028 -7.708 16.804 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -1.797 -7.055 15.961 1.00 0.10 H ATOM 36 2HD1 LEU 2 -1.700 -8.721 16.566 1.00 0.10 H ATOM 37 3HD1 LEU 2 -3.105 -7.737 16.965 1.00 0.10 H ATOM 38 CD2 LEU 2 0.189 -7.352 17.892 1.00 -0.41 C ATOM 39 1HD2 LEU 2 0.446 -8.392 17.683 1.00 0.10 H ATOM 40 2HD2 LEU 2 0.533 -6.732 17.062 1.00 0.10 H ATOM 41 3HD2 LEU 2 0.704 -7.053 18.806 1.00 0.10 H ATOM 42 N PRO 3 -3.425 -6.049 21.159 1.00 -0.25 N ATOM 43 CA PRO 3 -4.045 -7.033 22.064 1.00 -0.03 C ATOM 44 HA PRO 3 -3.742 -8.043 21.785 1.00 0.06 H ATOM 45 C PRO 3 -5.578 -6.992 22.127 1.00 0.59 C ATOM 46 O PRO 3 -6.207 -7.995 22.427 1.00 -0.57 O ATOM 47 CB PRO 3 -3.425 -6.683 23.418 1.00 -0.01 C ATOM 48 1HB PRO 3 -4.101 -6.935 24.236 1.00 0.03 H ATOM 49 2HB PRO 3 -2.473 -7.201 23.538 1.00 0.03 H ATOM 50 CG PRO 3 -3.195 -5.222 23.338 1.00 0.02 C ATOM 51 1HG PRO 3 -4.132 -4.686 23.494 1.00 0.02 H ATOM 52 2HG PRO 3 -2.447 -4.904 24.065 1.00 0.02 H ATOM 53 CD PRO 3 -2.697 -5.018 21.925 1.00 0.02 C ATOM 54 1HD PRO 3 -2.943 -4.016 21.578 1.00 0.04 H ATOM 55 2HD PRO 3 -1.622 -5.197 21.870 1.00 0.04 H ATOM 56 N PHE 4 -6.190 -5.864 21.783 1.00 -0.42 N ATOM 57 H PHE 4 -5.650 -5.057 21.525 1.00 0.27 H ATOM 58 CA PHE 4 -7.647 -5.783 21.691 1.00 -0.00 C ATOM 59 HA PHE 4 -8.107 -6.219 22.579 1.00 0.10 H ATOM 60 C PHE 4 -8.098 -6.577 20.475 1.00 0.60 C ATOM 61 O PHE 4 -9.095 -7.274 20.517 1.00 -0.57 O ATOM 62 CB PHE 4 -8.105 -4.330 21.540 1.00 -0.03 C ATOM 63 1HB PHE 4 -7.789 -3.767 22.417 1.00 0.03 H ATOM 64 2HB PHE 4 -7.630 -3.898 20.663 1.00 0.03 H ATOM 65 CG PHE 4 -9.592 -4.185 21.371 1.00 0.01 C ATOM 66 CD1 PHE 4 -10.438 -4.128 22.492 1.00 -0.13 C ATOM 67 HD1 PHE 4 -10.020 -4.186 23.487 1.00 0.13 H ATOM 68 CD2 PHE 4 -10.157 -4.119 20.082 1.00 -0.13 C ATOM 69 HD2 PHE 4 -9.521 -4.181 19.211 1.00 0.13 H ATOM 70 CE1 PHE 4 -11.842 -4.002 22.334 1.00 -0.17 C ATOM 71 HE1 PHE 4 -12.481 -3.953 23.203 1.00 0.14 H ATOM 72 CE2 PHE 4 -11.555 -3.988 19.907 1.00 -0.17 C ATOM 73 HE2 PHE 4 -11.975 -3.937 18.914 1.00 0.14 H ATOM 74 CZ PHE 4 -12.400 -3.932 21.037 1.00 -0.11 C ATOM 75 HZ PHE 4 -13.468 -3.826 20.910 1.00 0.13 H ATOM 76 N LEU 5 -7.336 -6.504 19.392 1.00 -0.42 N ATOM 77 H LEU 5 -6.520 -5.911 19.390 1.00 0.27 H ATOM 78 CA LEU 5 -7.658 -7.290 18.205 1.00 -0.05 C ATOM 79 HA LEU 5 -8.678 -7.061 17.897 1.00 0.09 H ATOM 80 C LEU 5 -7.587 -8.776 18.534 1.00 0.60 C ATOM 81 O LEU 5 -8.444 -9.539 18.118 1.00 -0.57 O ATOM 82 CB LEU 5 -6.693 -6.964 17.061 1.00 -0.11 C ATOM 83 1HB LEU 5 -6.727 -5.893 16.886 1.00 0.05 H ATOM 84 2HB LEU 5 -5.687 -7.217 17.387 1.00 0.05 H ATOM 85 CG LEU 5 -6.934 -7.688 15.725 1.00 0.35 C ATOM 86 HG LEU 5 -6.874 -8.760 15.897 1.00 -0.04 H ATOM 87 CD1 LEU 5 -8.299 -7.380 15.109 1.00 -0.41 C ATOM 88 1HD1 LEU 5 -9.089 -7.768 15.753 1.00 0.10 H ATOM 89 2HD1 LEU 5 -8.430 -6.306 14.982 1.00 0.10 H ATOM 90 3HD1 LEU 5 -8.385 -7.871 14.140 1.00 0.10 H ATOM 91 CD2 LEU 5 -5.827 -7.310 14.743 1.00 -0.41 C ATOM 92 1HD2 LEU 5 -4.858 -7.596 15.150 1.00 0.10 H ATOM 93 2HD2 LEU 5 -5.974 -7.848 13.805 1.00 0.10 H ATOM 94 3HD2 LEU 5 -5.840 -6.240 14.544 1.00 0.10 H ATOM 95 N ALA 6 -6.599 -9.187 19.315 1.00 -0.42 N ATOM 96 H ALA 6 -5.901 -8.528 19.634 1.00 0.27 H ATOM 97 CA ALA 6 -6.485 -10.589 19.700 1.00 0.03 C ATOM 98 HA ALA 6 -6.457 -11.187 18.788 1.00 0.08 H ATOM 99 C ALA 6 -7.694 -11.059 20.521 1.00 0.60 C ATOM 100 O ALA 6 -8.227 -12.137 20.268 1.00 -0.57 O ATOM 101 CB ALA 6 -5.179 -10.810 20.473 1.00 -0.18 C ATOM 102 1HB ALA 6 -5.193 -10.239 21.402 1.00 0.06 H ATOM 103 2HB ALA 6 -5.076 -11.870 20.708 1.00 0.06 H ATOM 104 3HB ALA 6 -4.331 -10.495 19.864 1.00 0.06 H ATOM 105 N THR 7 -8.149 -10.263 21.480 1.00 -0.42 N ATOM 106 H THR 7 -7.702 -9.373 21.677 1.00 0.27 H ATOM 107 CA THR 7 -9.296 -10.669 22.293 1.00 -0.04 C ATOM 108 HA THR 7 -9.168 -11.715 22.566 1.00 0.10 H ATOM 109 C THR 7 -10.608 -10.558 21.522 1.00 0.60 C ATOM 110 O THR 7 -11.558 -11.294 21.784 1.00 -0.57 O ATOM 111 CB THR 7 -9.402 -9.850 23.592 1.00 0.37 C ATOM 112 HB THR 7 -10.314 -10.127 24.121 1.00 0.00 H ATOM 113 OG1 THR 7 -9.423 -8.455 23.285 1.00 -0.68 O ATOM 114 HG1 THR 7 -9.431 -7.969 24.111 1.00 0.41 H ATOM 115 CG2 THR 7 -8.207 -10.090 24.502 1.00 -0.24 C ATOM 116 1HG2 THR 7 -8.115 -11.155 24.716 1.00 0.06 H ATOM 117 2HG2 THR 7 -7.293 -9.736 24.025 1.00 0.06 H ATOM 118 3HG2 THR 7 -8.351 -9.552 25.438 1.00 0.06 H ATOM 119 N LEU 8 -10.660 -9.670 20.540 1.00 -0.42 N ATOM 120 H LEU 8 -9.889 -9.018 20.418 1.00 0.27 H ATOM 121 CA LEU 8 -11.805 -9.579 19.640 1.00 -0.05 C ATOM 122 HA LEU 8 -12.718 -9.536 20.229 1.00 0.09 H ATOM 123 C LEU 8 -11.867 -10.812 18.747 1.00 0.60 C ATOM 124 O LEU 8 -12.940 -11.359 18.521 1.00 -0.57 O ATOM 125 CB LEU 8 -11.692 -8.316 18.779 1.00 -0.11 C ATOM 126 1HB LEU 8 -11.603 -7.462 19.450 1.00 0.05 H ATOM 127 2HB LEU 8 -10.770 -8.385 18.207 1.00 0.05 H ATOM 128 CG LEU 8 -12.824 -8.021 17.783 1.00 0.35 C ATOM 129 HG LEU 8 -12.902 -8.853 17.085 1.00 -0.04 H ATOM 130 CD1 LEU 8 -14.182 -7.839 18.470 1.00 -0.41 C ATOM 131 1HD1 LEU 8 -14.112 -7.061 19.231 1.00 0.10 H ATOM 132 2HD1 LEU 8 -14.930 -7.558 17.728 1.00 0.10 H ATOM 133 3HD1 LEU 8 -14.485 -8.781 18.927 1.00 0.10 H ATOM 134 CD2 LEU 8 -12.472 -6.766 16.989 1.00 -0.41 C ATOM 135 1HD2 LEU 8 -12.379 -5.910 17.657 1.00 0.10 H ATOM 136 2HD2 LEU 8 -11.528 -6.917 16.465 1.00 0.10 H ATOM 137 3HD2 LEU 8 -13.249 -6.568 16.251 1.00 0.10 H ATOM 138 N LEU 9 -10.724 -11.273 18.261 1.00 -0.42 N ATOM 139 H LEU 9 -9.858 -10.772 18.447 1.00 0.27 H ATOM 140 CA LEU 9 -10.684 -12.480 17.439 1.00 -0.05 C ATOM 141 HA LEU 9 -11.413 -12.380 16.638 1.00 0.09 H ATOM 142 C LEU 9 -11.077 -13.705 18.252 1.00 0.60 C ATOM 143 O LEU 9 -11.859 -14.511 17.779 1.00 -0.57 O ATOM 144 CB LEU 9 -9.294 -12.684 16.828 1.00 -0.11 C ATOM 145 1HB LEU 9 -8.559 -12.566 17.623 1.00 0.05 H ATOM 146 2HB LEU 9 -9.232 -13.711 16.468 1.00 0.05 H ATOM 147 CG LEU 9 -8.914 -11.754 15.665 1.00 0.35 C ATOM 148 HG LEU 9 -9.110 -10.725 15.955 1.00 -0.04 H ATOM 149 CD1 LEU 9 -7.422 -11.884 15.362 1.00 -0.41 C ATOM 150 1HD1 LEU 9 -7.151 -11.207 14.552 1.00 0.10 H ATOM 151 2HD1 LEU 9 -6.849 -11.609 16.249 1.00 0.10 H ATOM 152 3HD1 LEU 9 -7.182 -12.909 15.077 1.00 0.10 H ATOM 153 CD2 LEU 9 -9.721 -12.051 14.397 1.00 -0.41 C ATOM 154 1HD2 LEU 9 -9.399 -11.392 13.592 1.00 0.10 H ATOM 155 2HD2 LEU 9 -9.578 -13.090 14.095 1.00 0.10 H ATOM 156 3HD2 LEU 9 -10.781 -11.877 14.583 1.00 0.10 H ATOM 157 N SER 10 -10.624 -13.817 19.493 1.00 -0.42 N ATOM 158 H SER 10 -9.985 -13.121 19.868 1.00 0.27 H ATOM 159 CA SER 10 -10.999 -14.953 20.343 1.00 -0.03 C ATOM 160 HA SER 10 -10.908 -15.873 19.763 1.00 0.08 H ATOM 161 C SER 10 -12.438 -14.878 20.852 1.00 0.60 C ATOM 162 O SER 10 -12.907 -15.741 21.586 1.00 -0.57 O ATOM 163 CB SER 10 -10.049 -15.052 21.535 1.00 0.21 C ATOM 164 1HB SER 10 -10.304 -15.936 22.122 1.00 0.04 H ATOM 165 2HB SER 10 -9.028 -15.155 21.167 1.00 0.04 H ATOM 166 OG SER 10 -10.129 -13.899 22.356 1.00 -0.65 O ATOM 167 HG SER 10 -11.056 -13.727 22.552 1.00 0.43 H ATOM 168 N LYS 11 -13.144 -13.812 20.499 1.00 -0.35 N ATOM 169 H LYS 11 -12.696 -13.085 19.955 1.00 0.28 H ATOM 170 CA LYS 11 -14.562 -13.674 20.828 1.00 -0.24 C ATOM 171 HA LYS 11 -14.773 -14.210 21.753 1.00 0.14 H ATOM 172 C LYS 11 -15.414 -14.277 19.709 1.00 0.73 C ATOM 173 O LYS 11 -16.614 -14.475 19.889 1.00 -0.59 O ATOM 174 CB LYS 11 -14.877 -12.186 21.018 1.00 -0.01 C ATOM 175 1HB LYS 11 -14.090 -11.755 21.634 1.00 0.04 H ATOM 176 2HB LYS 11 -14.853 -11.703 20.045 1.00 0.04 H ATOM 177 CG LYS 11 -16.204 -11.857 21.675 1.00 0.02 C ATOM 178 1HG LYS 11 -17.021 -12.266 21.083 1.00 0.01 H ATOM 179 2HG LYS 11 -16.230 -12.288 22.676 1.00 0.01 H ATOM 180 CD LYS 11 -16.370 -10.351 21.765 1.00 -0.05 C ATOM 181 1HD LYS 11 -15.534 -9.933 22.328 1.00 0.06 H ATOM 182 2HD LYS 11 -16.368 -9.935 20.757 1.00 0.06 H ATOM 183 CE LYS 11 -17.679 -9.998 22.456 1.00 -0.01 C ATOM 184 1HE LYS 11 -18.505 -10.454 21.904 1.00 0.11 H ATOM 185 2HE LYS 11 -17.667 -10.408 23.469 1.00 0.11 H ATOM 186 NZ LYS 11 -17.873 -8.510 22.516 1.00 -0.38 N ATOM 187 1HZ LYS 11 -17.895 -8.130 21.579 1.00 0.17 H ATOM 188 2HZ LYS 11 -18.746 -8.296 22.980 1.00 0.17 H ATOM 189 3HZ LYS 11 -17.111 -8.086 23.027 1.00 0.17 H ATOM 190 N VAL 12 -14.814 -14.506 18.547 1.00 -0.42 N ATOM 191 H VAL 12 -13.819 -14.340 18.448 1.00 0.27 H ATOM 192 CA VAL 12 -15.553 -14.954 17.358 1.00 -0.09 C ATOM 193 HA VAL 12 -16.569 -15.207 17.655 1.00 0.10 H ATOM 194 C VAL 12 -14.977 -16.202 16.681 1.00 0.60 C ATOM 195 O VAL 12 -15.547 -16.684 15.699 1.00 -0.57 O ATOM 196 CB VAL 12 -15.654 -13.807 16.299 1.00 0.30 C ATOM 197 HB VAL 12 -16.247 -14.166 15.459 1.00 -0.03 H ATOM 198 CG1 VAL 12 -16.372 -12.574 16.890 1.00 -0.32 C ATOM 199 1HG1 VAL 12 -15.752 -12.111 17.658 1.00 0.08 H ATOM 200 2HG1 VAL 12 -16.562 -11.852 16.097 1.00 0.08 H ATOM 201 3HG1 VAL 12 -17.322 -12.883 17.326 1.00 0.08 H ATOM 202 CG2 VAL 12 -14.276 -13.374 15.766 1.00 -0.32 C ATOM 203 1HG2 VAL 12 -13.746 -14.237 15.360 1.00 0.08 H ATOM 204 2HG2 VAL 12 -14.403 -12.638 14.975 1.00 0.08 H ATOM 205 3HG2 VAL 12 -13.681 -12.939 16.567 1.00 0.08 H ATOM 206 N LEU 13 -13.856 -16.709 17.176 1.00 -0.42 N ATOM 207 H LEU 13 -13.426 -16.322 18.008 1.00 0.27 H ATOM 208 CA LEU 13 -13.139 -17.838 16.589 1.00 -0.05 C ATOM 209 HA LEU 13 -13.828 -18.527 16.106 1.00 0.09 H ATOM 210 C LEU 13 -12.458 -18.533 17.759 1.00 0.60 C ATOM 211 O LEU 13 -12.284 -19.768 17.747 1.00 -0.57 O ATOM 212 OXT LEU 13 -12.123 -17.778 18.697 1.00 -0.57 O ATOM 213 CB LEU 13 -12.098 -17.307 15.593 1.00 -0.11 C ATOM 214 1HB LEU 13 -12.627 -16.731 14.837 1.00 0.05 H ATOM 215 2HB LEU 13 -11.452 -16.623 16.142 1.00 0.05 H ATOM 216 CG LEU 13 -11.193 -18.319 14.879 1.00 0.35 C ATOM 217 HG LEU 13 -10.622 -18.872 15.623 1.00 -0.04 H ATOM 218 CD1 LEU 13 -11.988 -19.313 14.038 1.00 -0.41 C ATOM 219 1HD1 LEU 13 -12.598 -19.927 14.703 1.00 0.10 H ATOM 220 2HD1 LEU 13 -12.637 -18.783 13.342 1.00 0.10 H ATOM 221 3HD1 LEU 13 -11.309 -19.966 13.495 1.00 0.10 H ATOM 222 CD2 LEU 13 -10.210 -17.560 13.990 1.00 -0.41 C ATOM 223 1HD2 LEU 13 -10.750 -16.996 13.230 1.00 0.10 H ATOM 224 2HD2 LEU 13 -9.625 -16.876 14.604 1.00 0.10 H ATOM 225 3HD2 LEU 13 -9.534 -18.267 13.511 1.00 0.10 H TER 226 LEU 13 END