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\NFLGTLINLAKKIM.pdb REMARK YASARA Written on: Wed May 14 17:34:50 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 ASN PHE LEU GLY THR LEU ILE ASN LEU ALA LYS LYS ILE SEQRES 2 14 MET ATOM 1 N ASN 1 -2.470 -3.859 10.643 1.00 -0.42 N ATOM 2 1H ASN 1 -1.817 -4.557 10.316 1.00 -0.42 H ATOM 3 2H ASN 1 -3.377 -4.048 10.239 1.00 -0.42 H ATOM 4 3H ASN 1 -2.155 -2.942 10.362 1.00 0.27 H ATOM 5 CA ASN 1 -2.567 -3.930 12.125 1.00 0.01 C ATOM 6 HA ASN 1 -1.581 -3.758 12.559 1.00 0.10 H ATOM 7 C ASN 1 -3.046 -5.311 12.511 1.00 0.60 C ATOM 8 O ASN 1 -3.425 -6.051 11.617 1.00 -0.57 O ATOM 9 CB ASN 1 -3.552 -2.868 12.643 1.00 -0.20 C ATOM 10 1HB ASN 1 -3.338 -1.914 12.161 1.00 0.08 H ATOM 11 2HB ASN 1 -4.570 -3.168 12.391 1.00 0.08 H ATOM 12 CG ASN 1 -3.453 -2.673 14.140 1.00 0.71 C ATOM 13 OD1 ASN 1 -2.451 -3.038 14.733 1.00 -0.59 O ATOM 14 ND2 ASN 1 -4.471 -2.135 14.757 1.00 -0.92 N ATOM 15 1HD2 ASN 1 -4.405 -1.981 15.751 1.00 0.42 H ATOM 16 2HD2 ASN 1 -5.311 -1.890 14.259 1.00 0.42 H ATOM 17 N PHE 2 -3.068 -5.658 13.788 1.00 -0.42 N ATOM 18 H PHE 2 -2.698 -5.023 14.493 1.00 0.27 H ATOM 19 CA PHE 2 -3.741 -6.869 14.239 1.00 -0.00 C ATOM 20 HA PHE 2 -3.487 -7.706 13.587 1.00 0.10 H ATOM 21 C PHE 2 -5.238 -6.580 14.164 1.00 0.60 C ATOM 22 O PHE 2 -5.632 -5.424 14.025 1.00 -0.57 O ATOM 23 CB PHE 2 -3.344 -7.185 15.684 1.00 -0.03 C ATOM 24 1HB PHE 2 -3.640 -6.349 16.318 1.00 0.03 H ATOM 25 2HB PHE 2 -3.881 -8.073 16.015 1.00 0.03 H ATOM 26 CG PHE 2 -1.871 -7.418 15.861 1.00 0.01 C ATOM 27 CD1 PHE 2 -1.301 -8.659 15.525 1.00 -0.13 C ATOM 28 HD1 PHE 2 -1.925 -9.458 15.153 1.00 0.13 H ATOM 29 CD2 PHE 2 -1.041 -6.392 16.354 1.00 -0.13 C ATOM 30 HD2 PHE 2 -1.466 -5.436 16.627 1.00 0.13 H ATOM 31 CE1 PHE 2 0.092 -8.878 15.666 1.00 -0.17 C ATOM 32 HE1 PHE 2 0.520 -9.837 15.409 1.00 0.14 H ATOM 33 CE2 PHE 2 0.353 -6.596 16.502 1.00 -0.17 C ATOM 34 HE2 PHE 2 0.981 -5.804 16.885 1.00 0.14 H ATOM 35 CZ PHE 2 0.921 -7.843 16.156 1.00 -0.11 C ATOM 36 HZ PHE 2 1.983 -8.007 16.272 1.00 0.13 H ATOM 37 N LEU 3 -6.063 -7.608 14.310 1.00 -0.42 N ATOM 38 H LEU 3 -5.684 -8.535 14.416 1.00 0.27 H ATOM 39 CA LEU 3 -7.520 -7.447 14.295 1.00 -0.05 C ATOM 40 HA LEU 3 -7.813 -6.953 13.368 1.00 0.09 H ATOM 41 C LEU 3 -8.028 -6.593 15.463 1.00 0.60 C ATOM 42 O LEU 3 -9.062 -5.942 15.381 1.00 -0.57 O ATOM 43 CB LEU 3 -8.165 -8.840 14.348 1.00 -0.11 C ATOM 44 1HB LEU 3 -7.717 -9.445 13.560 1.00 0.05 H ATOM 45 2HB LEU 3 -7.899 -9.291 15.302 1.00 0.05 H ATOM 46 CG LEU 3 -9.694 -8.941 14.200 1.00 0.35 C ATOM 47 HG LEU 3 -10.149 -8.344 14.982 1.00 -0.04 H ATOM 48 CD1 LEU 3 -10.190 -8.424 12.853 1.00 -0.41 C ATOM 49 1HD1 LEU 3 -9.711 -8.964 12.035 1.00 0.10 H ATOM 50 2HD1 LEU 3 -11.270 -8.556 12.782 1.00 0.10 H ATOM 51 3HD1 LEU 3 -9.977 -7.359 12.760 1.00 0.10 H ATOM 52 CD2 LEU 3 -10.147 -10.387 14.392 1.00 -0.41 C ATOM 53 1HD2 LEU 3 -11.233 -10.443 14.304 1.00 0.10 H ATOM 54 2HD2 LEU 3 -9.695 -11.031 13.635 1.00 0.10 H ATOM 55 3HD2 LEU 3 -9.871 -10.738 15.383 1.00 0.10 H ATOM 56 N GLY 4 -7.295 -6.611 16.568 1.00 -0.42 N ATOM 57 H GLY 4 -6.445 -7.144 16.586 1.00 0.27 H ATOM 58 CA GLY 4 -7.671 -5.863 17.759 1.00 -0.03 C ATOM 59 1HA GLY 4 -6.787 -5.707 18.378 1.00 0.07 H ATOM 60 2HA GLY 4 -8.062 -4.889 17.463 1.00 0.07 H ATOM 61 C GLY 4 -8.721 -6.574 18.590 1.00 0.60 C ATOM 62 O GLY 4 -8.455 -6.988 19.713 1.00 -0.57 O ATOM 63 N THR 5 -9.887 -6.822 18.013 1.00 -0.42 N ATOM 64 H THR 5 -10.038 -6.524 17.047 1.00 0.27 H ATOM 65 CA THR 5 -10.992 -7.485 18.712 1.00 -0.04 C ATOM 66 HA THR 5 -11.174 -6.969 19.656 1.00 0.10 H ATOM 67 C THR 5 -10.714 -8.950 19.030 1.00 0.60 C ATOM 68 O THR 5 -11.411 -9.565 19.837 1.00 -0.57 O ATOM 69 CB THR 5 -12.278 -7.432 17.867 1.00 0.37 C ATOM 70 HB THR 5 -13.082 -7.952 18.388 1.00 0.00 H ATOM 71 OG1 THR 5 -12.027 -8.056 16.607 1.00 -0.68 O ATOM 72 HG1 THR 5 -12.826 -7.990 16.077 1.00 0.41 H ATOM 73 CG2 THR 5 -12.701 -6.000 17.576 1.00 -0.24 C ATOM 74 1HG2 THR 5 -12.784 -5.439 18.508 1.00 0.06 H ATOM 75 2HG2 THR 5 -11.981 -5.512 16.917 1.00 0.06 H ATOM 76 3HG2 THR 5 -13.675 -6.007 17.087 1.00 0.06 H ATOM 77 N LEU 6 -9.648 -9.501 18.462 1.00 -0.42 N ATOM 78 H LEU 6 -9.104 -8.952 17.819 1.00 0.27 H ATOM 79 CA LEU 6 -9.248 -10.876 18.754 1.00 -0.05 C ATOM 80 HA LEU 6 -10.085 -11.506 18.471 1.00 0.09 H ATOM 81 C LEU 6 -8.973 -11.134 20.236 1.00 0.60 C ATOM 82 O LEU 6 -9.113 -12.262 20.694 1.00 -0.57 O ATOM 83 CB LEU 6 -8.045 -11.332 17.912 1.00 -0.11 C ATOM 84 1HB LEU 6 -8.104 -12.421 17.885 1.00 0.05 H ATOM 85 2HB LEU 6 -8.201 -10.987 16.894 1.00 0.05 H ATOM 86 CG LEU 6 -6.595 -10.998 18.311 1.00 0.35 C ATOM 87 HG LEU 6 -6.434 -11.306 19.343 1.00 -0.04 H ATOM 88 CD1 LEU 6 -5.644 -11.801 17.425 1.00 -0.41 C ATOM 89 1HD1 LEU 6 -5.782 -11.544 16.374 1.00 0.10 H ATOM 90 2HD1 LEU 6 -4.611 -11.599 17.714 1.00 0.10 H ATOM 91 3HD1 LEU 6 -5.829 -12.868 17.560 1.00 0.10 H ATOM 92 CD2 LEU 6 -6.242 -9.520 18.189 1.00 -0.41 C ATOM 93 1HD2 LEU 6 -6.378 -9.190 17.164 1.00 0.10 H ATOM 94 2HD2 LEU 6 -6.867 -8.934 18.859 1.00 0.10 H ATOM 95 3HD2 LEU 6 -5.201 -9.371 18.484 1.00 0.10 H ATOM 96 N ILE 7 -8.646 -10.099 21.003 1.00 -0.42 N ATOM 97 H ILE 7 -8.560 -9.172 20.600 1.00 0.27 H ATOM 98 CA ILE 7 -8.394 -10.274 22.434 1.00 -0.06 C ATOM 99 HA ILE 7 -7.709 -11.115 22.546 1.00 0.09 H ATOM 100 C ILE 7 -9.671 -10.636 23.196 1.00 0.60 C ATOM 101 O ILE 7 -9.607 -11.240 24.263 1.00 -0.57 O ATOM 102 CB ILE 7 -7.703 -9.024 23.062 1.00 0.13 C ATOM 103 HB ILE 7 -7.413 -9.284 24.081 1.00 0.02 H ATOM 104 CG1 ILE 7 -8.661 -7.815 23.140 1.00 -0.04 C ATOM 105 1HG1 ILE 7 -8.949 -7.525 22.133 1.00 0.02 H ATOM 106 2HG1 ILE 7 -9.563 -8.113 23.672 1.00 0.02 H ATOM 107 CG2 ILE 7 -6.409 -8.695 22.269 1.00 -0.32 C ATOM 108 1HG2 ILE 7 -6.649 -8.248 21.303 1.00 0.09 H ATOM 109 2HG2 ILE 7 -5.799 -7.991 22.836 1.00 0.09 H ATOM 110 3HG2 ILE 7 -5.821 -9.601 22.114 1.00 0.09 H ATOM 111 CD1 ILE 7 -8.104 -6.578 23.855 1.00 -0.07 C ATOM 112 1HD1 ILE 7 -7.282 -6.148 23.281 1.00 0.02 H ATOM 113 2HD1 ILE 7 -8.893 -5.832 23.947 1.00 0.02 H ATOM 114 3HD1 ILE 7 -7.752 -6.849 24.851 1.00 0.02 H ATOM 115 N ASN 8 -10.828 -10.308 22.636 1.00 -0.42 N ATOM 116 H ASN 8 -10.829 -9.798 21.758 1.00 0.27 H ATOM 117 CA ASN 8 -12.114 -10.719 23.195 1.00 0.01 C ATOM 118 HA ASN 8 -12.036 -10.904 24.267 1.00 0.10 H ATOM 119 C ASN 8 -12.528 -12.016 22.517 1.00 0.60 C ATOM 120 O ASN 8 -12.939 -12.958 23.176 1.00 -0.57 O ATOM 121 CB ASN 8 -13.175 -9.643 22.946 1.00 -0.20 C ATOM 122 1HB ASN 8 -13.047 -8.841 23.671 1.00 0.08 H ATOM 123 2HB ASN 8 -13.051 -9.238 21.944 1.00 0.08 H ATOM 124 CG ASN 8 -14.583 -10.184 23.042 1.00 0.71 C ATOM 125 OD1 ASN 8 -15.160 -10.590 22.047 1.00 -0.59 O ATOM 126 ND2 ASN 8 -15.144 -10.179 24.213 1.00 -0.92 N ATOM 127 1HD2 ASN 8 -16.084 -10.517 24.301 1.00 0.42 H ATOM 128 2HD2 ASN 8 -14.617 -9.868 25.024 1.00 0.42 H ATOM 129 N LEU 9 -12.352 -12.094 21.206 1.00 -0.42 N ATOM 130 H LEU 9 -11.966 -11.301 20.705 1.00 0.27 H ATOM 131 CA LEU 9 -12.789 -13.264 20.444 1.00 -0.05 C ATOM 132 HA LEU 9 -13.866 -13.367 20.581 1.00 0.09 H ATOM 133 C LEU 9 -12.137 -14.569 20.900 1.00 0.60 C ATOM 134 O LEU 9 -12.784 -15.616 20.937 1.00 -0.57 O ATOM 135 CB LEU 9 -12.491 -13.028 18.961 1.00 -0.11 C ATOM 136 1HB LEU 9 -12.874 -12.042 18.699 1.00 0.05 H ATOM 137 2HB LEU 9 -11.411 -13.009 18.851 1.00 0.05 H ATOM 138 CG LEU 9 -13.030 -14.030 17.929 1.00 0.35 C ATOM 139 HG LEU 9 -12.646 -15.021 18.168 1.00 -0.04 H ATOM 140 CD1 LEU 9 -14.557 -14.095 17.913 1.00 -0.41 C ATOM 141 1HD1 LEU 9 -14.925 -14.456 18.873 1.00 0.10 H ATOM 142 2HD1 LEU 9 -14.975 -13.104 17.722 1.00 0.10 H ATOM 143 3HD1 LEU 9 -14.891 -14.780 17.134 1.00 0.10 H ATOM 144 CD2 LEU 9 -12.516 -13.640 16.544 1.00 -0.41 C ATOM 145 1HD2 LEU 9 -12.878 -12.647 16.270 1.00 0.10 H ATOM 146 2HD2 LEU 9 -11.426 -13.642 16.538 1.00 0.10 H ATOM 147 3HD2 LEU 9 -12.866 -14.362 15.805 1.00 0.10 H ATOM 148 N ALA 10 -10.864 -14.524 21.264 1.00 -0.42 N ATOM 149 H ALA 10 -10.343 -13.653 21.174 1.00 0.27 H ATOM 150 CA ALA 10 -10.182 -15.709 21.775 1.00 0.03 C ATOM 151 HA ALA 10 -10.460 -16.565 21.161 1.00 0.08 H ATOM 152 C ALA 10 -10.565 -16.023 23.228 1.00 0.60 C ATOM 153 O ALA 10 -10.649 -17.185 23.616 1.00 -0.57 O ATOM 154 CB ALA 10 -8.665 -15.505 21.662 1.00 -0.18 C ATOM 155 1HB ALA 10 -8.354 -14.646 22.260 1.00 0.06 H ATOM 156 2HB ALA 10 -8.149 -16.397 22.022 1.00 0.06 H ATOM 157 3HB ALA 10 -8.392 -15.331 20.620 1.00 0.06 H ATOM 158 N LYS 11 -10.753 -14.982 24.030 1.00 -0.35 N ATOM 159 H LYS 11 -10.729 -14.053 23.635 1.00 0.28 H ATOM 160 CA LYS 11 -10.942 -15.125 25.481 1.00 -0.24 C ATOM 161 HA LYS 11 -10.303 -15.935 25.834 1.00 0.14 H ATOM 162 C LYS 11 -12.379 -15.451 25.889 1.00 0.73 C ATOM 163 O LYS 11 -12.598 -16.180 26.853 1.00 -0.59 O ATOM 164 CB LYS 11 -10.496 -13.821 26.140 1.00 -0.01 C ATOM 165 1HB LYS 11 -9.586 -13.484 25.645 1.00 0.04 H ATOM 166 2HB LYS 11 -11.269 -13.082 25.960 1.00 0.04 H ATOM 167 CG LYS 11 -10.200 -13.903 27.637 1.00 0.02 C ATOM 168 1HG LYS 11 -10.681 -14.792 28.041 1.00 0.01 H ATOM 169 2HG LYS 11 -9.124 -14.017 27.771 1.00 0.01 H ATOM 170 CD LYS 11 -10.681 -12.698 28.456 1.00 -0.05 C ATOM 171 1HD LYS 11 -11.761 -12.626 28.360 1.00 0.06 H ATOM 172 2HD LYS 11 -10.463 -12.912 29.503 1.00 0.06 H ATOM 173 CE LYS 11 -10.057 -11.330 28.115 1.00 -0.01 C ATOM 174 1HE LYS 11 -10.236 -10.673 28.969 1.00 0.11 H ATOM 175 2HE LYS 11 -8.978 -11.452 28.009 1.00 0.11 H ATOM 176 NZ LYS 11 -10.604 -10.639 26.891 1.00 -0.38 N ATOM 177 1HZ LYS 11 -10.300 -9.680 26.855 1.00 0.17 H ATOM 178 2HZ LYS 11 -10.296 -11.113 26.048 1.00 0.17 H ATOM 179 3HZ LYS 11 -11.623 -10.651 26.896 1.00 0.17 H ATOM 180 N LYS 12 -13.331 -14.933 25.122 1.00 -0.35 N ATOM 181 H LYS 12 -13.041 -14.260 24.413 1.00 0.28 H ATOM 182 CA LYS 12 -14.777 -15.230 25.150 1.00 -0.24 C ATOM 183 HA LYS 12 -15.214 -14.644 24.340 1.00 0.14 H ATOM 184 C LYS 12 -15.595 -14.855 26.382 1.00 0.73 C ATOM 185 O LYS 12 -16.753 -14.493 26.242 1.00 -0.59 O ATOM 186 CB LYS 12 -15.020 -16.707 24.810 1.00 -0.01 C ATOM 187 1HB LYS 12 -14.661 -17.320 25.636 1.00 0.04 H ATOM 188 2HB LYS 12 -16.093 -16.872 24.700 1.00 0.04 H ATOM 189 CG LYS 12 -14.314 -17.149 23.536 1.00 0.02 C ATOM 190 1HG LYS 12 -14.674 -16.548 22.701 1.00 0.01 H ATOM 191 2HG LYS 12 -13.246 -16.990 23.649 1.00 0.01 H ATOM 192 CD LYS 12 -14.522 -18.619 23.237 1.00 -0.05 C ATOM 193 1HD LYS 12 -14.341 -19.196 24.145 1.00 0.06 H ATOM 194 2HD LYS 12 -15.548 -18.784 22.907 1.00 0.06 H ATOM 195 CE LYS 12 -13.537 -19.080 22.164 1.00 -0.01 C ATOM 196 1HE LYS 12 -12.521 -18.944 22.546 1.00 0.11 H ATOM 197 2HE LYS 12 -13.695 -20.143 21.974 1.00 0.11 H ATOM 198 NZ LYS 12 -13.680 -18.314 20.881 1.00 -0.38 N ATOM 199 1HZ LYS 12 -14.626 -18.378 20.538 1.00 0.17 H ATOM 200 2HZ LYS 12 -13.455 -17.333 21.043 1.00 0.17 H ATOM 201 3HZ LYS 12 -13.040 -18.674 20.189 1.00 0.17 H ATOM 202 N ILE 13 -15.019 -14.941 27.569 1.00 -0.42 N ATOM 203 H ILE 13 -14.078 -15.315 27.626 1.00 0.27 H ATOM 204 CA ILE 13 -15.706 -14.543 28.799 1.00 -0.06 C ATOM 205 HA ILE 13 -16.739 -14.888 28.747 1.00 0.09 H ATOM 206 C ILE 13 -15.746 -13.014 28.911 1.00 0.60 C ATOM 207 O ILE 13 -16.636 -12.442 29.537 1.00 -0.57 O ATOM 208 CB ILE 13 -15.026 -15.225 30.032 1.00 0.13 C ATOM 209 HB ILE 13 -14.954 -16.289 29.803 1.00 0.02 H ATOM 210 CG1 ILE 13 -15.919 -15.081 31.278 1.00 -0.04 C ATOM 211 1HG1 ILE 13 -15.902 -14.041 31.604 1.00 0.02 H ATOM 212 2HG1 ILE 13 -16.942 -15.327 30.991 1.00 0.02 H ATOM 213 CG2 ILE 13 -13.577 -14.710 30.267 1.00 -0.32 C ATOM 214 1HG2 ILE 13 -13.593 -13.660 30.562 1.00 0.09 H ATOM 215 2HG2 ILE 13 -13.102 -15.292 31.056 1.00 0.09 H ATOM 216 3HG2 ILE 13 -12.984 -14.827 29.361 1.00 0.09 H ATOM 217 CD1 ILE 13 -15.535 -15.969 32.469 1.00 -0.07 C ATOM 218 1HD1 ILE 13 -16.278 -15.850 33.258 1.00 0.02 H ATOM 219 2HD1 ILE 13 -15.510 -17.015 32.160 1.00 0.02 H ATOM 220 3HD1 ILE 13 -14.560 -15.678 32.858 1.00 0.02 H ATOM 221 N MET 14 -14.773 -12.368 28.277 1.00 -0.42 N ATOM 222 H MET 14 -14.122 -12.898 27.711 1.00 0.27 H ATOM 223 CA MET 14 -14.579 -10.919 28.240 1.00 -0.02 C ATOM 224 HA MET 14 -15.527 -10.390 28.131 1.00 0.09 H ATOM 225 C MET 14 -13.736 -10.793 26.987 1.00 0.60 C ATOM 226 O MET 14 -13.364 -9.690 26.553 1.00 -0.57 O ATOM 227 OXT MET 14 -13.323 -11.875 26.520 1.00 -0.57 O ATOM 228 CB MET 14 -13.771 -10.390 29.436 1.00 0.03 C ATOM 229 1HB MET 14 -12.848 -10.958 29.504 1.00 0.02 H ATOM 230 2HB MET 14 -13.515 -9.348 29.242 1.00 0.02 H ATOM 231 CG MET 14 -14.461 -10.457 30.785 1.00 0.00 C ATOM 232 1HG MET 14 -15.375 -9.864 30.752 1.00 0.04 H ATOM 233 2HG MET 14 -14.716 -11.492 31.007 1.00 0.04 H ATOM 234 SD MET 14 -13.384 -9.833 32.090 1.00 -0.27 S ATOM 235 CE MET 14 -14.374 -10.204 33.544 1.00 -0.05 C ATOM 236 1HE MET 14 -14.557 -11.277 33.600 1.00 0.07 H ATOM 237 2HE MET 14 -13.843 -9.879 34.439 1.00 0.07 H ATOM 238 3HE MET 14 -15.328 -9.678 33.480 1.00 0.07 H TER 239 MET 14 END