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\FLPVIAGLLSKLF.pdb REMARK YASARA Written on: Wed May 14 16:43:57 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 218 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU PRO VAL ILE ALA GLY LEU LEU SER LYS LEU PHE ATOM 1 N PHE 1 -9.130 -16.090 25.474 1.00 -0.42 N ATOM 2 1H PHE 1 -8.991 -16.727 26.246 1.00 -0.42 H ATOM 3 2H PHE 1 -9.038 -16.597 24.604 1.00 -0.42 H ATOM 4 3H PHE 1 -8.432 -15.361 25.514 1.00 0.27 H ATOM 5 CA PHE 1 -10.492 -15.493 25.563 1.00 -0.00 C ATOM 6 HA PHE 1 -11.222 -16.301 25.523 1.00 0.10 H ATOM 7 C PHE 1 -10.788 -14.573 24.385 1.00 0.60 C ATOM 8 O PHE 1 -11.669 -14.895 23.609 1.00 -0.57 O ATOM 9 CB PHE 1 -10.698 -14.738 26.879 1.00 -0.03 C ATOM 10 1HB PHE 1 -10.655 -15.452 27.701 1.00 0.03 H ATOM 11 2HB PHE 1 -9.892 -14.016 27.008 1.00 0.03 H ATOM 12 CG PHE 1 -12.012 -14.005 26.939 1.00 0.01 C ATOM 13 CD1 PHE 1 -13.229 -14.712 26.873 1.00 -0.13 C ATOM 14 HD1 PHE 1 -13.233 -15.792 26.831 1.00 0.13 H ATOM 15 CD2 PHE 1 -12.042 -12.600 27.023 1.00 -0.13 C ATOM 16 HD2 PHE 1 -11.124 -12.040 27.106 1.00 0.13 H ATOM 17 CE1 PHE 1 -14.466 -14.022 26.853 1.00 -0.17 C ATOM 18 HE1 PHE 1 -15.395 -14.572 26.792 1.00 0.14 H ATOM 19 CE2 PHE 1 -13.271 -11.901 27.013 1.00 -0.17 C ATOM 20 HE2 PHE 1 -13.282 -10.822 27.084 1.00 0.14 H ATOM 21 CZ PHE 1 -14.485 -12.614 26.922 1.00 -0.11 C ATOM 22 HZ PHE 1 -15.428 -12.084 26.912 1.00 0.13 H ATOM 23 N LEU 2 -10.096 -13.445 24.231 1.00 -0.42 N ATOM 24 H LEU 2 -9.275 -13.258 24.784 1.00 0.27 H ATOM 25 CA LEU 2 -10.561 -12.348 23.363 1.00 -0.05 C ATOM 26 HA LEU 2 -11.405 -11.892 23.881 1.00 0.09 H ATOM 27 C LEU 2 -11.109 -12.610 21.948 1.00 0.60 C ATOM 28 O LEU 2 -12.073 -11.943 21.570 1.00 -0.57 O ATOM 29 CB LEU 2 -9.474 -11.266 23.238 1.00 -0.11 C ATOM 30 1HB LEU 2 -8.546 -11.759 22.947 1.00 0.05 H ATOM 31 2HB LEU 2 -9.767 -10.650 22.392 1.00 0.05 H ATOM 32 CG LEU 2 -9.140 -10.271 24.364 1.00 0.35 C ATOM 33 HG LEU 2 -8.419 -9.564 23.956 1.00 -0.04 H ATOM 34 CD1 LEU 2 -10.372 -9.474 24.788 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -10.817 -8.985 23.921 1.00 0.10 H ATOM 36 2HD1 LEU 2 -11.114 -10.120 25.257 1.00 0.10 H ATOM 37 3HD1 LEU 2 -10.079 -8.701 25.502 1.00 0.10 H ATOM 38 CD2 LEU 2 -8.492 -10.913 25.591 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -7.608 -11.477 25.293 1.00 0.10 H ATOM 40 2HD2 LEU 2 -8.170 -10.124 26.276 1.00 0.10 H ATOM 41 3HD2 LEU 2 -9.197 -11.553 26.114 1.00 0.10 H ATOM 42 N PRO 3 -10.552 -13.551 21.155 1.00 -0.25 N ATOM 43 CA PRO 3 -11.247 -13.732 19.870 1.00 -0.03 C ATOM 44 HA PRO 3 -11.173 -12.815 19.285 1.00 0.06 H ATOM 45 C PRO 3 -12.715 -14.169 19.898 1.00 0.59 C ATOM 46 O PRO 3 -13.411 -13.933 18.924 1.00 -0.57 O ATOM 47 CB PRO 3 -10.437 -14.841 19.190 1.00 -0.01 C ATOM 48 1HB PRO 3 -10.895 -15.811 19.383 1.00 0.03 H ATOM 49 2HB PRO 3 -10.365 -14.662 18.117 1.00 0.03 H ATOM 50 CG PRO 3 -9.115 -14.771 19.810 1.00 0.02 C ATOM 51 1HG PRO 3 -8.582 -15.716 19.705 1.00 0.02 H ATOM 52 2HG PRO 3 -8.550 -13.959 19.360 1.00 0.02 H ATOM 53 CD PRO 3 -9.397 -14.465 21.245 1.00 0.02 C ATOM 54 1HD PRO 3 -9.670 -15.373 21.783 1.00 0.04 H ATOM 55 2HD PRO 3 -8.539 -13.975 21.706 1.00 0.04 H ATOM 56 N VAL 4 -13.220 -14.768 20.974 1.00 -0.42 N ATOM 57 H VAL 4 -12.654 -14.928 21.798 1.00 0.27 H ATOM 58 CA VAL 4 -14.612 -15.248 20.970 1.00 -0.09 C ATOM 59 HA VAL 4 -14.773 -15.754 20.016 1.00 0.10 H ATOM 60 C VAL 4 -15.637 -14.115 21.046 1.00 0.60 C ATOM 61 O VAL 4 -16.816 -14.314 20.795 1.00 -0.57 O ATOM 62 CB VAL 4 -14.891 -16.292 22.095 1.00 0.30 C ATOM 63 HB VAL 4 -15.863 -16.743 21.900 1.00 -0.03 H ATOM 64 CG1 VAL 4 -13.835 -17.413 22.060 1.00 -0.32 C ATOM 65 1HG1 VAL 4 -12.859 -17.038 22.359 1.00 0.08 H ATOM 66 2HG1 VAL 4 -14.137 -18.212 22.738 1.00 0.08 H ATOM 67 3HG1 VAL 4 -13.775 -17.827 21.051 1.00 0.08 H ATOM 68 CG2 VAL 4 -14.952 -15.659 23.496 1.00 -0.32 C ATOM 69 1HG2 VAL 4 -15.871 -15.079 23.581 1.00 0.08 H ATOM 70 2HG2 VAL 4 -14.981 -16.441 24.256 1.00 0.08 H ATOM 71 3HG2 VAL 4 -14.103 -15.008 23.674 1.00 0.08 H ATOM 72 N ILE 5 -15.164 -12.916 21.363 1.00 -0.42 N ATOM 73 H ILE 5 -14.185 -12.821 21.585 1.00 0.27 H ATOM 74 CA ILE 5 -15.995 -11.709 21.384 1.00 -0.06 C ATOM 75 HA ILE 5 -17.017 -11.966 21.106 1.00 0.09 H ATOM 76 C ILE 5 -15.473 -10.728 20.331 1.00 0.60 C ATOM 77 O ILE 5 -15.770 -9.538 20.371 1.00 -0.57 O ATOM 78 CB ILE 5 -16.035 -11.058 22.805 1.00 0.13 C ATOM 79 HB ILE 5 -16.645 -10.156 22.743 1.00 0.02 H ATOM 80 CG1 ILE 5 -14.624 -10.668 23.295 1.00 -0.04 C ATOM 81 1HG1 ILE 5 -14.089 -11.570 23.593 1.00 0.02 H ATOM 82 2HG1 ILE 5 -14.083 -10.214 22.473 1.00 0.02 H ATOM 83 CG2 ILE 5 -16.705 -12.018 23.818 1.00 -0.32 C ATOM 84 1HG2 ILE 5 -16.925 -11.487 24.743 1.00 0.09 H ATOM 85 2HG2 ILE 5 -17.645 -12.391 23.405 1.00 0.09 H ATOM 86 3HG2 ILE 5 -16.055 -12.863 24.035 1.00 0.09 H ATOM 87 CD1 ILE 5 -14.597 -9.673 24.456 1.00 -0.07 C ATOM 88 1HD1 ILE 5 -15.110 -8.755 24.165 1.00 0.02 H ATOM 89 2HD1 ILE 5 -15.089 -10.097 25.330 1.00 0.02 H ATOM 90 3HD1 ILE 5 -13.564 -9.437 24.709 1.00 0.02 H ATOM 91 N ALA 6 -14.621 -11.242 19.446 1.00 -0.42 N ATOM 92 H ALA 6 -14.474 -12.246 19.456 1.00 0.27 H ATOM 93 CA ALA 6 -13.872 -10.481 18.434 1.00 0.03 C ATOM 94 HA ALA 6 -13.203 -11.193 17.949 1.00 0.08 H ATOM 95 C ALA 6 -12.978 -9.357 18.989 1.00 0.60 C ATOM 96 O ALA 6 -12.395 -8.573 18.241 1.00 -0.57 O ATOM 97 CB ALA 6 -14.824 -9.956 17.341 1.00 -0.18 C ATOM 98 1HB ALA 6 -14.246 -9.512 16.531 1.00 0.06 H ATOM 99 2HB ALA 6 -15.422 -10.779 16.947 1.00 0.06 H ATOM 100 3HB ALA 6 -15.488 -9.200 17.763 1.00 0.06 H ATOM 101 N GLY 7 -12.812 -9.309 20.303 1.00 -0.42 N ATOM 102 H GLY 7 -13.253 -10.019 20.870 1.00 0.27 H ATOM 103 CA GLY 7 -12.109 -8.222 20.967 1.00 -0.03 C ATOM 104 1HA GLY 7 -12.538 -7.279 20.626 1.00 0.07 H ATOM 105 2HA GLY 7 -12.281 -8.303 22.040 1.00 0.07 H ATOM 106 C GLY 7 -10.617 -8.172 20.722 1.00 0.60 C ATOM 107 O GLY 7 -9.952 -7.203 21.080 1.00 -0.57 O ATOM 108 N LEU 8 -10.075 -9.204 20.093 1.00 -0.42 N ATOM 109 H LEU 8 -10.662 -9.984 19.839 1.00 0.27 H ATOM 110 CA LEU 8 -8.666 -9.201 19.710 1.00 -0.05 C ATOM 111 HA LEU 8 -8.079 -8.778 20.523 1.00 0.09 H ATOM 112 C LEU 8 -8.452 -8.343 18.463 1.00 0.60 C ATOM 113 O LEU 8 -7.381 -7.787 18.279 1.00 -0.57 O ATOM 114 CB LEU 8 -8.177 -10.633 19.439 1.00 -0.11 C ATOM 115 1HB LEU 8 -8.434 -11.249 20.299 1.00 0.05 H ATOM 116 2HB LEU 8 -8.719 -11.017 18.575 1.00 0.05 H ATOM 117 CG LEU 8 -6.668 -10.796 19.166 1.00 0.35 C ATOM 118 HG LEU 8 -6.409 -10.202 18.296 1.00 -0.04 H ATOM 119 CD1 LEU 8 -5.797 -10.330 20.338 1.00 -0.41 C ATOM 120 1HD1 LEU 8 -5.903 -9.254 20.474 1.00 0.10 H ATOM 121 2HD1 LEU 8 -6.071 -10.849 21.255 1.00 0.10 H ATOM 122 3HD1 LEU 8 -4.746 -10.528 20.113 1.00 0.10 H ATOM 123 CD2 LEU 8 -6.331 -12.245 18.847 1.00 -0.41 C ATOM 124 1HD2 LEU 8 -6.504 -12.880 19.714 1.00 0.10 H ATOM 125 2HD2 LEU 8 -6.937 -12.590 18.008 1.00 0.10 H ATOM 126 3HD2 LEU 8 -5.281 -12.317 18.558 1.00 0.10 H ATOM 127 N LEU 9 -9.469 -8.216 17.618 1.00 -0.42 N ATOM 128 H LEU 9 -10.409 -8.472 17.909 1.00 0.27 H ATOM 129 CA LEU 9 -9.273 -7.779 16.233 1.00 -0.05 C ATOM 130 HA LEU 9 -8.610 -8.495 15.752 1.00 0.09 H ATOM 131 C LEU 9 -8.625 -6.404 16.072 1.00 0.60 C ATOM 132 O LEU 9 -7.772 -6.228 15.220 1.00 -0.57 O ATOM 133 CB LEU 9 -10.625 -7.798 15.509 1.00 -0.11 C ATOM 134 1HB LEU 9 -11.103 -8.755 15.717 1.00 0.05 H ATOM 135 2HB LEU 9 -11.245 -7.018 15.949 1.00 0.05 H ATOM 136 CG LEU 9 -10.632 -7.597 13.984 1.00 0.35 C ATOM 137 HG LEU 9 -10.121 -6.666 13.748 1.00 -0.04 H ATOM 138 CD1 LEU 9 -9.934 -8.741 13.247 1.00 -0.41 C ATOM 139 1HD1 LEU 9 -10.400 -9.696 13.493 1.00 0.10 H ATOM 140 2HD1 LEU 9 -9.999 -8.574 12.171 1.00 0.10 H ATOM 141 3HD1 LEU 9 -8.879 -8.766 13.520 1.00 0.10 H ATOM 142 CD2 LEU 9 -12.074 -7.487 13.495 1.00 -0.41 C ATOM 143 1HD2 LEU 9 -12.081 -7.308 12.419 1.00 0.10 H ATOM 144 2HD2 LEU 9 -12.623 -8.405 13.711 1.00 0.10 H ATOM 145 3HD2 LEU 9 -12.567 -6.646 13.985 1.00 0.10 H ATOM 146 N SER 10 -8.951 -5.462 16.944 1.00 -0.42 N ATOM 147 H SER 10 -9.630 -5.662 17.659 1.00 0.27 H ATOM 148 CA SER 10 -8.354 -4.121 16.924 1.00 -0.03 C ATOM 149 HA SER 10 -8.242 -3.799 15.886 1.00 0.08 H ATOM 150 C SER 10 -6.959 -4.034 17.563 1.00 0.60 C ATOM 151 O SER 10 -6.561 -3.004 18.107 1.00 -0.57 O ATOM 152 CB SER 10 -9.327 -3.163 17.609 1.00 0.21 C ATOM 153 1HB SER 10 -8.855 -2.191 17.759 1.00 0.04 H ATOM 154 2HB SER 10 -10.190 -3.031 16.955 1.00 0.04 H ATOM 155 OG SER 10 -9.788 -3.693 18.849 1.00 -0.65 O ATOM 156 HG SER 10 -10.527 -3.143 19.131 1.00 0.43 H ATOM 157 N LYS 11 -6.264 -5.165 17.610 1.00 -0.35 N ATOM 158 H LYS 11 -6.727 -6.027 17.345 1.00 0.28 H ATOM 159 CA LYS 11 -4.840 -5.238 17.958 1.00 -0.24 C ATOM 160 HA LYS 11 -4.423 -4.231 18.023 1.00 0.14 H ATOM 161 C LYS 11 -4.117 -5.960 16.822 1.00 0.73 C ATOM 162 O LYS 11 -2.925 -6.234 16.912 1.00 -0.59 O ATOM 163 CB LYS 11 -4.609 -5.981 19.287 1.00 -0.01 C ATOM 164 1HB LYS 11 -5.239 -6.867 19.321 1.00 0.04 H ATOM 165 2HB LYS 11 -3.574 -6.322 19.302 1.00 0.04 H ATOM 166 CG LYS 11 -4.805 -5.153 20.564 1.00 0.02 C ATOM 167 1HG LYS 11 -3.950 -5.349 21.211 1.00 0.01 H ATOM 168 2HG LYS 11 -4.789 -4.093 20.309 1.00 0.01 H ATOM 169 CD LYS 11 -6.074 -5.459 21.370 1.00 -0.05 C ATOM 170 1HD LYS 11 -6.236 -6.536 21.412 1.00 0.06 H ATOM 171 2HD LYS 11 -5.926 -5.084 22.383 1.00 0.06 H ATOM 172 CE LYS 11 -7.290 -4.771 20.776 1.00 -0.01 C ATOM 173 1HE LYS 11 -7.032 -3.726 20.583 1.00 0.11 H ATOM 174 2HE LYS 11 -7.513 -5.240 19.818 1.00 0.11 H ATOM 175 NZ LYS 11 -8.520 -4.810 21.613 1.00 -0.38 N ATOM 176 1HZ LYS 11 -9.239 -4.256 21.168 1.00 0.17 H ATOM 177 2HZ LYS 11 -8.856 -5.767 21.680 1.00 0.17 H ATOM 178 3HZ LYS 11 -8.328 -4.446 22.534 1.00 0.17 H ATOM 179 N LEU 12 -4.861 -6.310 15.783 1.00 -0.42 N ATOM 180 H LEU 12 -5.843 -6.072 15.764 1.00 0.27 H ATOM 181 CA LEU 12 -4.325 -7.019 14.620 1.00 -0.05 C ATOM 182 HA LEU 12 -3.285 -7.295 14.790 1.00 0.09 H ATOM 183 C LEU 12 -4.406 -6.105 13.402 1.00 0.60 C ATOM 184 O LEU 12 -3.753 -6.339 12.386 1.00 -0.57 O ATOM 185 CB LEU 12 -5.150 -8.283 14.346 1.00 -0.11 C ATOM 186 1HB LEU 12 -6.153 -7.965 14.070 1.00 0.05 H ATOM 187 2HB LEU 12 -4.714 -8.779 13.478 1.00 0.05 H ATOM 188 CG LEU 12 -5.289 -9.319 15.472 1.00 0.35 C ATOM 189 HG LEU 12 -5.741 -8.836 16.336 1.00 -0.04 H ATOM 190 CD1 LEU 12 -6.225 -10.442 15.017 1.00 -0.41 C ATOM 191 1HD1 LEU 12 -6.363 -11.155 15.828 1.00 0.10 H ATOM 192 2HD1 LEU 12 -7.193 -10.025 14.745 1.00 0.10 H ATOM 193 3HD1 LEU 12 -5.800 -10.956 14.153 1.00 0.10 H ATOM 194 CD2 LEU 12 -3.950 -9.917 15.906 1.00 -0.41 C ATOM 195 1HD2 LEU 12 -3.312 -9.128 16.310 1.00 0.10 H ATOM 196 2HD2 LEU 12 -4.111 -10.661 16.683 1.00 0.10 H ATOM 197 3HD2 LEU 12 -3.450 -10.379 15.054 1.00 0.10 H ATOM 198 N PHE 13 -5.235 -5.079 13.541 1.00 -0.42 N ATOM 199 H PHE 13 -5.687 -4.908 14.430 1.00 0.27 H ATOM 200 CA PHE 13 -5.550 -4.076 12.535 1.00 -0.00 C ATOM 201 HA PHE 13 -4.688 -3.851 11.910 1.00 0.10 H ATOM 202 C PHE 13 -5.907 -2.901 13.435 1.00 0.60 C ATOM 203 O PHE 13 -6.030 -1.749 12.980 1.00 -0.57 O ATOM 204 OXT PHE 13 -6.093 -3.216 14.640 1.00 -0.57 O ATOM 205 CB PHE 13 -6.778 -4.473 11.707 1.00 -0.03 C ATOM 206 1HB PHE 13 -7.635 -4.543 12.377 1.00 0.03 H ATOM 207 2HB PHE 13 -6.977 -3.686 10.979 1.00 0.03 H ATOM 208 CG PHE 13 -6.632 -5.785 10.987 1.00 0.01 C ATOM 209 CD1 PHE 13 -7.187 -6.955 11.533 1.00 -0.13 C ATOM 210 HD1 PHE 13 -7.717 -6.900 12.473 1.00 0.13 H ATOM 211 CD2 PHE 13 -5.931 -5.863 9.772 1.00 -0.13 C ATOM 212 HD2 PHE 13 -5.492 -4.970 9.351 1.00 0.13 H ATOM 213 CE1 PHE 13 -7.041 -8.205 10.880 1.00 -0.17 C ATOM 214 HE1 PHE 13 -7.460 -9.098 11.318 1.00 0.14 H ATOM 215 CE2 PHE 13 -5.778 -7.104 9.100 1.00 -0.17 C ATOM 216 HE2 PHE 13 -5.230 -7.152 8.170 1.00 0.14 H ATOM 217 CZ PHE 13 -6.334 -8.279 9.659 1.00 -0.11 C ATOM 218 HZ PHE 13 -6.213 -9.228 9.158 1.00 0.13 H TER 219 PHE 13 END