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\FLPPSPWKETFRTS.pdb REMARK YASARA Written on: Wed May 14 17:12:30 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 239 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 14 PHE LEU PRO PRO SER PRO TRP LYS GLU THR PHE ARG THR SEQRES 2 14 SER ATOM 1 N PHE 1 -7.565 -5.108 23.202 1.00 -0.42 N ATOM 2 1H PHE 1 -6.719 -4.748 22.786 1.00 -0.42 H ATOM 3 2H PHE 1 -7.736 -6.041 22.846 1.00 -0.42 H ATOM 4 3H PHE 1 -8.343 -4.510 22.965 1.00 0.27 H ATOM 5 CA PHE 1 -7.408 -5.167 24.677 1.00 -0.00 C ATOM 6 HA PHE 1 -6.578 -5.830 24.918 1.00 0.10 H ATOM 7 C PHE 1 -8.664 -5.716 25.349 1.00 0.60 C ATOM 8 O PHE 1 -8.803 -5.578 26.558 1.00 -0.57 O ATOM 9 CB PHE 1 -7.099 -3.756 25.200 1.00 -0.03 C ATOM 10 1HB PHE 1 -6.960 -3.795 26.280 1.00 0.03 H ATOM 11 2HB PHE 1 -6.163 -3.421 24.753 1.00 0.03 H ATOM 12 CG PHE 1 -8.169 -2.738 24.877 1.00 0.01 C ATOM 13 CD1 PHE 1 -9.259 -2.540 25.748 1.00 -0.13 C ATOM 14 HD1 PHE 1 -9.325 -3.104 26.669 1.00 0.13 H ATOM 15 CD2 PHE 1 -8.089 -1.961 23.703 1.00 -0.13 C ATOM 16 HD2 PHE 1 -7.242 -2.064 23.040 1.00 0.13 H ATOM 17 CE1 PHE 1 -10.281 -1.612 25.437 1.00 -0.17 C ATOM 18 HE1 PHE 1 -11.114 -1.476 26.114 1.00 0.14 H ATOM 19 CE2 PHE 1 -9.105 -1.027 23.379 1.00 -0.17 C ATOM 20 HE2 PHE 1 -9.035 -0.439 22.474 1.00 0.14 H ATOM 21 CZ PHE 1 -10.206 -0.857 24.247 1.00 -0.11 C ATOM 22 HZ PHE 1 -10.985 -0.147 24.005 1.00 0.13 H ATOM 23 N LEU 2 -9.599 -6.304 24.609 1.00 -0.42 N ATOM 24 H LEU 2 -9.425 -6.541 23.631 1.00 0.27 H ATOM 25 CA LEU 2 -10.901 -6.695 25.164 1.00 -0.05 C ATOM 26 HA LEU 2 -10.764 -6.866 26.232 1.00 0.09 H ATOM 27 C LEU 2 -11.444 -8.023 24.597 1.00 0.60 C ATOM 28 O LEU 2 -12.532 -8.072 24.006 1.00 -0.57 O ATOM 29 CB LEU 2 -11.903 -5.526 25.030 1.00 -0.11 C ATOM 30 1HB LEU 2 -12.783 -5.824 25.600 1.00 0.05 H ATOM 31 2HB LEU 2 -11.460 -4.695 25.577 1.00 0.05 H ATOM 32 CG LEU 2 -12.432 -4.929 23.705 1.00 0.35 C ATOM 33 HG LEU 2 -12.950 -5.709 23.154 1.00 -0.04 H ATOM 34 CD1 LEU 2 -13.454 -3.843 24.042 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -12.977 -3.028 24.589 1.00 0.10 H ATOM 36 2HD1 LEU 2 -13.895 -3.450 23.126 1.00 0.10 H ATOM 37 3HD1 LEU 2 -14.254 -4.263 24.653 1.00 0.10 H ATOM 38 CD2 LEU 2 -11.371 -4.326 22.774 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -10.797 -3.570 23.308 1.00 0.10 H ATOM 40 2HD2 LEU 2 -10.712 -5.111 22.414 1.00 0.10 H ATOM 41 3HD2 LEU 2 -11.857 -3.862 21.914 1.00 0.10 H ATOM 42 N PRO 3 -10.670 -9.118 24.708 1.00 -0.25 N ATOM 43 CA PRO 3 -11.227 -10.342 24.120 1.00 -0.03 C ATOM 44 HA PRO 3 -11.622 -10.130 23.129 1.00 0.06 H ATOM 45 C PRO 3 -12.290 -11.024 25.002 1.00 0.59 C ATOM 46 O PRO 3 -12.094 -11.186 26.203 1.00 -0.57 O ATOM 47 CB PRO 3 -9.987 -11.220 23.982 1.00 -0.01 C ATOM 48 1HB PRO 3 -10.247 -12.264 24.028 1.00 0.03 H ATOM 49 2HB PRO 3 -9.482 -11.002 23.049 1.00 0.03 H ATOM 50 CG PRO 3 -9.132 -10.839 25.128 1.00 0.02 C ATOM 51 1HG PRO 3 -9.459 -11.367 26.024 1.00 0.02 H ATOM 52 2HG PRO 3 -8.085 -11.061 24.921 1.00 0.02 H ATOM 53 CD PRO 3 -9.340 -9.367 25.304 1.00 0.02 C ATOM 54 1HD PRO 3 -9.331 -9.103 26.362 1.00 0.04 H ATOM 55 2HD PRO 3 -8.573 -8.815 24.765 1.00 0.04 H ATOM 56 N PRO 4 -13.425 -11.470 24.427 1.00 -0.25 N ATOM 57 CA PRO 4 -14.410 -12.139 25.294 1.00 -0.03 C ATOM 58 HA PRO 4 -14.601 -11.531 26.180 1.00 0.06 H ATOM 59 C PRO 4 -14.032 -13.554 25.756 1.00 0.59 C ATOM 60 O PRO 4 -14.676 -14.135 26.623 1.00 -0.57 O ATOM 61 CB PRO 4 -15.664 -12.154 24.418 1.00 -0.01 C ATOM 62 1HB PRO 4 -16.308 -12.998 24.667 1.00 0.03 H ATOM 63 2HB PRO 4 -16.207 -11.215 24.529 1.00 0.03 H ATOM 64 CG PRO 4 -15.136 -12.265 23.045 1.00 0.02 C ATOM 65 1HG PRO 4 -14.840 -13.291 22.845 1.00 0.02 H ATOM 66 2HG PRO 4 -15.873 -11.931 22.315 1.00 0.02 H ATOM 67 CD PRO 4 -13.931 -11.359 23.046 1.00 0.02 C ATOM 68 1HD PRO 4 -13.191 -11.699 22.326 1.00 0.04 H ATOM 69 2HD PRO 4 -14.227 -10.330 22.841 1.00 0.04 H ATOM 70 N SER 5 -12.990 -14.136 25.182 1.00 -0.42 N ATOM 71 H SER 5 -12.546 -13.698 24.384 1.00 0.27 H ATOM 72 CA SER 5 -12.312 -15.308 25.741 1.00 -0.03 C ATOM 73 HA SER 5 -12.296 -15.262 26.831 1.00 0.08 H ATOM 74 C SER 5 -10.943 -15.063 25.133 1.00 0.60 C ATOM 75 O SER 5 -10.925 -14.504 24.043 1.00 -0.57 O ATOM 76 CB SER 5 -12.901 -16.626 25.234 1.00 0.21 C ATOM 77 1HB SER 5 -12.557 -16.797 24.214 1.00 0.04 H ATOM 78 2HB SER 5 -12.553 -17.444 25.865 1.00 0.04 H ATOM 79 OG SER 5 -14.320 -16.578 25.236 1.00 -0.65 O ATOM 80 HG SER 5 -14.590 -15.950 25.930 1.00 0.43 H ATOM 81 N PRO 6 -9.820 -15.423 25.781 1.00 -0.25 N ATOM 82 CA PRO 6 -8.608 -14.620 25.530 1.00 -0.03 C ATOM 83 HA PRO 6 -8.796 -13.602 25.867 1.00 0.06 H ATOM 84 C PRO 6 -8.039 -14.533 24.108 1.00 0.59 C ATOM 85 O PRO 6 -7.410 -13.547 23.757 1.00 -0.57 O ATOM 86 CB PRO 6 -7.570 -15.265 26.453 1.00 -0.01 C ATOM 87 1HB PRO 6 -6.998 -16.017 25.909 1.00 0.03 H ATOM 88 2HB PRO 6 -6.905 -14.509 26.871 1.00 0.03 H ATOM 89 CG PRO 6 -8.373 -15.895 27.531 1.00 0.02 C ATOM 90 1HG PRO 6 -7.814 -16.692 28.021 1.00 0.02 H ATOM 91 2HG PRO 6 -8.674 -15.137 28.255 1.00 0.02 H ATOM 92 CD PRO 6 -9.580 -16.435 26.827 1.00 0.02 C ATOM 93 1HD PRO 6 -9.360 -17.404 26.375 1.00 0.04 H ATOM 94 2HD PRO 6 -10.421 -16.508 27.518 1.00 0.04 H ATOM 95 N TRP 7 -8.274 -15.527 23.264 1.00 -0.42 N ATOM 96 H TRP 7 -8.800 -16.330 23.564 1.00 0.27 H ATOM 97 CA TRP 7 -7.774 -15.497 21.888 1.00 -0.03 C ATOM 98 HA TRP 7 -6.827 -14.955 21.857 1.00 0.11 H ATOM 99 C TRP 7 -8.726 -14.802 20.913 1.00 0.60 C ATOM 100 O TRP 7 -8.392 -14.565 19.753 1.00 -0.57 O ATOM 101 CB TRP 7 -7.519 -16.935 21.434 1.00 -0.00 C ATOM 102 1HB TRP 7 -7.253 -16.933 20.376 1.00 0.03 H ATOM 103 2HB TRP 7 -6.673 -17.328 21.997 1.00 0.03 H ATOM 104 CG TRP 7 -8.694 -17.854 21.652 1.00 -0.14 C ATOM 105 CD1 TRP 7 -8.920 -18.657 22.731 1.00 -0.16 C ATOM 106 HD1 TRP 7 -8.257 -18.722 23.586 1.00 0.21 H ATOM 107 CD2 TRP 7 -9.785 -18.114 20.748 1.00 0.12 C ATOM 108 NE1 TRP 7 -10.066 -19.387 22.583 1.00 -0.34 N ATOM 109 HE1 TRP 7 -10.399 -20.071 23.249 1.00 0.34 H ATOM 110 CE2 TRP 7 -10.631 -19.076 21.375 1.00 0.14 C ATOM 111 CE3 TRP 7 -10.124 -17.652 19.460 1.00 -0.24 C ATOM 112 HE3 TRP 7 -9.496 -16.931 18.955 1.00 0.17 H ATOM 113 CZ2 TRP 7 -11.785 -19.589 20.748 1.00 -0.26 C ATOM 114 HZ2 TRP 7 -12.392 -20.339 21.233 1.00 0.16 H ATOM 115 CZ3 TRP 7 -11.288 -18.161 18.826 1.00 -0.20 C ATOM 116 HZ3 TRP 7 -11.551 -17.820 17.833 1.00 0.14 H ATOM 117 CH2 TRP 7 -12.106 -19.127 19.483 1.00 -0.11 C ATOM 118 HH2 TRP 7 -12.979 -19.514 18.976 1.00 0.14 H ATOM 119 N LYS 8 -9.922 -14.450 21.366 1.00 -0.35 N ATOM 120 H LYS 8 -10.128 -14.569 22.354 1.00 0.28 H ATOM 121 CA LYS 8 -10.970 -13.901 20.492 1.00 -0.24 C ATOM 122 HA LYS 8 -10.884 -14.392 19.522 1.00 0.14 H ATOM 123 C LYS 8 -10.843 -12.398 20.232 1.00 0.73 C ATOM 124 O LYS 8 -11.835 -11.674 20.228 1.00 -0.59 O ATOM 125 CB LYS 8 -12.363 -14.217 21.053 1.00 -0.01 C ATOM 126 1HB LYS 8 -12.445 -13.768 22.039 1.00 0.04 H ATOM 127 2HB LYS 8 -13.116 -13.767 20.405 1.00 0.04 H ATOM 128 CG LYS 8 -12.682 -15.698 21.169 1.00 0.02 C ATOM 129 1HG LYS 8 -12.632 -16.149 20.180 1.00 0.01 H ATOM 130 2HG LYS 8 -11.956 -16.178 21.824 1.00 0.01 H ATOM 131 CD LYS 8 -14.074 -15.905 21.742 1.00 -0.05 C ATOM 132 1HD LYS 8 -14.113 -15.450 22.730 1.00 0.06 H ATOM 133 2HD LYS 8 -14.806 -15.416 21.098 1.00 0.06 H ATOM 134 CE LYS 8 -14.415 -17.384 21.864 1.00 -0.01 C ATOM 135 1HE LYS 8 -14.553 -17.806 20.866 1.00 0.11 H ATOM 136 2HE LYS 8 -13.581 -17.899 22.347 1.00 0.11 H ATOM 137 NZ LYS 8 -15.661 -17.583 22.686 1.00 -0.38 N ATOM 138 1HZ LYS 8 -15.879 -18.569 22.752 1.00 0.17 H ATOM 139 2HZ LYS 8 -15.509 -17.218 23.622 1.00 0.17 H ATOM 140 3HZ LYS 8 -16.440 -17.098 22.262 1.00 0.17 H ATOM 141 N GLU 9 -9.631 -11.935 19.975 1.00 -0.52 N ATOM 142 H GLU 9 -8.833 -12.539 20.122 1.00 0.29 H ATOM 143 CA GLU 9 -9.437 -10.625 19.356 1.00 0.04 C ATOM 144 HA GLU 9 -10.326 -10.428 18.756 1.00 0.11 H ATOM 145 C GLU 9 -8.260 -10.563 18.390 1.00 0.54 C ATOM 146 O GLU 9 -7.882 -9.487 17.951 1.00 -0.58 O ATOM 147 CB GLU 9 -9.354 -9.492 20.383 1.00 0.06 C ATOM 148 1HB GLU 9 -9.489 -8.571 19.828 1.00 -0.02 H ATOM 149 2HB GLU 9 -10.190 -9.596 21.072 1.00 -0.02 H ATOM 150 CG GLU 9 -8.078 -9.326 21.190 1.00 0.01 C ATOM 151 1HG GLU 9 -7.909 -10.212 21.800 1.00 -0.04 H ATOM 152 2HG GLU 9 -7.235 -9.208 20.511 1.00 -0.04 H ATOM 153 CD GLU 9 -8.160 -8.087 22.074 1.00 0.81 C ATOM 154 OE1 GLU 9 -7.243 -7.857 22.881 1.00 -0.57 O ATOM 155 OE2 GLU 9 -9.131 -7.286 21.976 1.00 -0.57 O ATOM 156 N THR 10 -7.703 -11.704 18.012 1.00 -0.42 N ATOM 157 H THR 10 -8.039 -12.598 18.347 1.00 0.27 H ATOM 158 CA THR 10 -6.584 -11.716 17.066 1.00 -0.04 C ATOM 159 HA THR 10 -5.762 -11.111 17.452 1.00 0.10 H ATOM 160 C THR 10 -6.994 -11.136 15.714 1.00 0.60 C ATOM 161 O THR 10 -6.223 -10.458 15.058 1.00 -0.57 O ATOM 162 CB THR 10 -6.103 -13.153 16.847 1.00 0.37 C ATOM 163 HB THR 10 -5.429 -13.191 15.990 1.00 0.00 H ATOM 164 OG1 THR 10 -7.247 -13.984 16.626 1.00 -0.68 O ATOM 165 HG1 THR 10 -6.937 -14.882 16.481 1.00 0.41 H ATOM 166 CG2 THR 10 -5.389 -13.697 18.077 1.00 -0.24 C ATOM 167 1HG2 THR 10 -5.026 -14.703 17.870 1.00 0.06 H ATOM 168 2HG2 THR 10 -4.538 -13.058 18.320 1.00 0.06 H ATOM 169 3HG2 THR 10 -6.067 -13.731 18.927 1.00 0.06 H ATOM 170 N PHE 11 -8.259 -11.316 15.366 1.00 -0.42 N ATOM 171 H PHE 11 -8.837 -11.877 15.967 1.00 0.27 H ATOM 172 CA PHE 11 -8.875 -10.744 14.166 1.00 -0.00 C ATOM 173 HA PHE 11 -8.205 -10.890 13.315 1.00 0.10 H ATOM 174 C PHE 11 -9.160 -9.242 14.257 1.00 0.60 C ATOM 175 O PHE 11 -9.871 -8.673 13.428 1.00 -0.57 O ATOM 176 CB PHE 11 -10.175 -11.506 13.897 1.00 -0.03 C ATOM 177 1HB PHE 11 -10.650 -11.101 13.003 1.00 0.03 H ATOM 178 2HB PHE 11 -9.920 -12.547 13.700 1.00 0.03 H ATOM 179 CG PHE 11 -11.154 -11.472 15.046 1.00 0.01 C ATOM 180 CD1 PHE 11 -11.185 -12.520 15.988 1.00 -0.13 C ATOM 181 HD1 PHE 11 -10.509 -13.358 15.883 1.00 0.13 H ATOM 182 CD2 PHE 11 -12.055 -10.401 15.188 1.00 -0.13 C ATOM 183 HD2 PHE 11 -12.050 -9.598 14.462 1.00 0.13 H ATOM 184 CE1 PHE 11 -12.098 -12.497 17.066 1.00 -0.17 C ATOM 185 HE1 PHE 11 -12.121 -13.313 17.771 1.00 0.14 H ATOM 186 CE2 PHE 11 -12.976 -10.363 16.266 1.00 -0.17 C ATOM 187 HE2 PHE 11 -13.668 -9.539 16.353 1.00 0.14 H ATOM 188 CZ PHE 11 -12.992 -11.411 17.211 1.00 -0.11 C ATOM 189 HZ PHE 11 -13.687 -11.391 18.037 1.00 0.13 H ATOM 190 N ARG 12 -8.674 -8.600 15.313 1.00 -0.35 N ATOM 191 H ARG 12 -8.189 -9.125 16.037 1.00 0.28 H ATOM 192 CA ARG 12 -8.772 -7.134 15.456 1.00 -0.26 C ATOM 193 HA ARG 12 -9.339 -6.716 14.623 1.00 0.16 H ATOM 194 C ARG 12 -7.375 -6.536 15.420 1.00 0.73 C ATOM 195 O ARG 12 -7.214 -5.328 15.548 1.00 -0.59 O ATOM 196 CB ARG 12 -9.437 -6.747 16.791 1.00 -0.00 C ATOM 197 1HB ARG 12 -8.770 -7.085 17.580 1.00 0.03 H ATOM 198 2HB ARG 12 -9.530 -5.661 16.872 1.00 0.03 H ATOM 199 CG ARG 12 -10.779 -7.415 17.060 1.00 0.04 C ATOM 200 1HG ARG 12 -11.494 -7.213 16.260 1.00 0.03 H ATOM 201 2HG ARG 12 -10.608 -8.487 17.130 1.00 0.03 H ATOM 202 CD ARG 12 -11.316 -6.945 18.408 1.00 0.05 C ATOM 203 1HD ARG 12 -10.496 -6.948 19.124 1.00 0.07 H ATOM 204 2HD ARG 12 -11.684 -5.922 18.318 1.00 0.07 H ATOM 205 NE ARG 12 -12.393 -7.815 18.901 1.00 -0.53 N ATOM 206 HE ARG 12 -12.919 -8.312 18.201 1.00 0.35 H ATOM 207 CZ ARG 12 -12.745 -7.976 20.172 1.00 0.81 C ATOM 208 NH1 ARG 12 -13.833 -8.637 20.452 1.00 -0.86 N ATOM 209 1HH1 ARG 12 -14.395 -9.030 19.720 1.00 0.32 H ATOM 210 2HH1 ARG 12 -14.099 -8.754 21.415 1.00 0.32 H ATOM 211 NH2 ARG 12 -12.054 -7.530 21.189 1.00 -0.86 N ATOM 212 1HH2 ARG 12 -11.141 -7.115 21.047 1.00 0.32 H ATOM 213 2HH2 ARG 12 -12.402 -7.646 22.137 1.00 0.32 H ATOM 214 N THR 13 -6.374 -7.397 15.328 1.00 -0.42 N ATOM 215 H THR 13 -6.568 -8.387 15.241 1.00 0.27 H ATOM 216 CA THR 13 -4.970 -6.990 15.385 1.00 -0.04 C ATOM 217 HA THR 13 -4.897 -5.904 15.373 1.00 0.10 H ATOM 218 C THR 13 -4.181 -7.527 14.197 1.00 0.60 C ATOM 219 O THR 13 -2.989 -7.254 14.052 1.00 -0.57 O ATOM 220 CB THR 13 -4.302 -7.518 16.680 1.00 0.37 C ATOM 221 HB THR 13 -3.247 -7.243 16.684 1.00 0.00 H ATOM 222 OG1 THR 13 -4.436 -8.941 16.757 1.00 -0.68 O ATOM 223 HG1 THR 13 -4.250 -9.318 15.890 1.00 0.41 H ATOM 224 CG2 THR 13 -4.972 -6.961 17.932 1.00 -0.24 C ATOM 225 1HG2 THR 13 -5.983 -7.361 18.019 1.00 0.06 H ATOM 226 2HG2 THR 13 -4.397 -7.264 18.805 1.00 0.06 H ATOM 227 3HG2 THR 13 -5.009 -5.873 17.878 1.00 0.06 H ATOM 228 N SER 14 -4.837 -8.336 13.379 1.00 -0.42 N ATOM 229 H SER 14 -5.826 -8.526 13.516 1.00 0.27 H ATOM 230 CA SER 14 -4.273 -9.011 12.218 1.00 -0.03 C ATOM 231 HA SER 14 -3.633 -8.353 11.634 1.00 0.08 H ATOM 232 C SER 14 -5.529 -9.369 11.443 1.00 0.60 C ATOM 233 O SER 14 -5.464 -9.787 10.273 1.00 -0.57 O ATOM 234 OXT SER 14 -6.592 -9.220 12.093 1.00 -0.57 O ATOM 235 CB SER 14 -3.542 -10.289 12.627 1.00 0.21 C ATOM 236 1HB SER 14 -4.235 -10.938 13.164 1.00 0.04 H ATOM 237 2HB SER 14 -3.186 -10.803 11.733 1.00 0.04 H ATOM 238 OG SER 14 -2.450 -9.955 13.467 1.00 -0.65 O ATOM 239 HG SER 14 -2.475 -8.994 13.598 1.00 0.43 H TER 240 SER 14 END