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\GIGSLLAKAAKLGANLL.pdb REMARK YASARA Written on: Mon May 19 16:17:05 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 247 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 17 GLY ILE GLY SER LEU LEU ALA LYS ALA ALA LYS LEU GLY SEQRES 2 17 ALA ASN LEU LEU ATOM 1 N GLY 1 -4.073 -9.517 11.780 1.00 -0.42 N ATOM 2 1H GLY 1 -3.714 -10.326 12.267 1.00 -0.42 H ATOM 3 2H GLY 1 -4.412 -9.791 10.870 1.00 -0.42 H ATOM 4 3H GLY 1 -3.330 -8.841 11.675 1.00 0.27 H ATOM 5 CA GLY 1 -5.181 -8.916 12.571 1.00 -0.03 C ATOM 6 1HA GLY 1 -5.554 -8.033 12.053 1.00 0.07 H ATOM 7 2HA GLY 1 -5.984 -9.644 12.677 1.00 0.07 H ATOM 8 C GLY 1 -4.687 -8.519 13.934 1.00 0.60 C ATOM 9 O GLY 1 -3.577 -8.910 14.236 1.00 -0.57 O ATOM 10 N ILE 2 -5.433 -7.770 14.739 1.00 -0.42 N ATOM 11 H ILE 2 -6.360 -7.478 14.467 1.00 0.27 H ATOM 12 CA ILE 2 -4.910 -7.260 16.016 1.00 -0.06 C ATOM 13 HA ILE 2 -3.931 -6.824 15.809 1.00 0.09 H ATOM 14 C ILE 2 -4.674 -8.290 17.130 1.00 0.60 C ATOM 15 O ILE 2 -4.046 -7.977 18.129 1.00 -0.57 O ATOM 16 CB ILE 2 -5.805 -6.105 16.560 1.00 0.13 C ATOM 17 HB ILE 2 -5.313 -5.686 17.439 1.00 0.02 H ATOM 18 CG1 ILE 2 -7.199 -6.616 16.986 1.00 -0.04 C ATOM 19 1HG1 ILE 2 -7.736 -6.963 16.104 1.00 0.02 H ATOM 20 2HG1 ILE 2 -7.074 -7.461 17.661 1.00 0.02 H ATOM 21 CG2 ILE 2 -5.914 -4.980 15.494 1.00 -0.32 C ATOM 22 1HG2 ILE 2 -6.547 -5.278 14.660 1.00 0.09 H ATOM 23 2HG2 ILE 2 -6.337 -4.082 15.950 1.00 0.09 H ATOM 24 3HG2 ILE 2 -4.920 -4.720 15.124 1.00 0.09 H ATOM 25 CD1 ILE 2 -8.071 -5.575 17.704 1.00 -0.07 C ATOM 26 1HD1 ILE 2 -8.981 -6.050 18.068 1.00 0.02 H ATOM 27 2HD1 ILE 2 -7.529 -5.155 18.552 1.00 0.02 H ATOM 28 3HD1 ILE 2 -8.347 -4.773 17.018 1.00 0.02 H ATOM 29 N GLY 3 -5.179 -9.509 16.979 1.00 -0.42 N ATOM 30 H GLY 3 -5.744 -9.712 16.177 1.00 0.27 H ATOM 31 CA GLY 3 -4.889 -10.592 17.916 1.00 -0.03 C ATOM 32 1HA GLY 3 -5.101 -11.538 17.419 1.00 0.07 H ATOM 33 2HA GLY 3 -3.820 -10.570 18.135 1.00 0.07 H ATOM 34 C GLY 3 -5.615 -10.594 19.250 1.00 0.60 C ATOM 35 O GLY 3 -6.083 -11.633 19.699 1.00 -0.57 O ATOM 36 N SER 4 -5.777 -9.433 19.867 1.00 -0.42 N ATOM 37 H SER 4 -5.398 -8.595 19.432 1.00 0.27 H ATOM 38 CA SER 4 -6.399 -9.302 21.187 1.00 -0.03 C ATOM 39 HA SER 4 -5.851 -9.923 21.896 1.00 0.08 H ATOM 40 C SER 4 -7.860 -9.740 21.236 1.00 0.60 C ATOM 41 O SER 4 -8.389 -10.069 22.295 1.00 -0.57 O ATOM 42 CB SER 4 -6.287 -7.844 21.623 1.00 0.21 C ATOM 43 1HB SER 4 -6.751 -7.715 22.601 1.00 0.04 H ATOM 44 2HB SER 4 -5.232 -7.574 21.687 1.00 0.04 H ATOM 45 OG SER 4 -6.918 -7.005 20.668 1.00 -0.65 O ATOM 46 HG SER 4 -6.581 -6.109 20.786 1.00 0.43 H ATOM 47 N LEU 5 -8.505 -9.816 20.081 1.00 -0.42 N ATOM 48 H LEU 5 -8.034 -9.518 19.244 1.00 0.27 H ATOM 49 CA LEU 5 -9.861 -10.354 19.992 1.00 -0.05 C ATOM 50 HA LEU 5 -10.509 -9.799 20.669 1.00 0.09 H ATOM 51 C LEU 5 -9.906 -11.823 20.405 1.00 0.60 C ATOM 52 O LEU 5 -10.885 -12.271 20.987 1.00 -0.57 O ATOM 53 CB LEU 5 -10.397 -10.221 18.563 1.00 -0.11 C ATOM 54 1HB LEU 5 -9.756 -10.813 17.909 1.00 0.05 H ATOM 55 2HB LEU 5 -11.393 -10.665 18.539 1.00 0.05 H ATOM 56 CG LEU 5 -10.495 -8.806 17.974 1.00 0.35 C ATOM 57 HG LEU 5 -9.502 -8.363 17.988 1.00 -0.04 H ATOM 58 CD1 LEU 5 -10.953 -8.880 16.523 1.00 -0.41 C ATOM 59 1HD1 LEU 5 -11.957 -9.308 16.464 1.00 0.10 H ATOM 60 2HD1 LEU 5 -10.971 -7.880 16.088 1.00 0.10 H ATOM 61 3HD1 LEU 5 -10.271 -9.501 15.944 1.00 0.10 H ATOM 62 CD2 LEU 5 -11.437 -7.894 18.768 1.00 -0.41 C ATOM 63 1HD2 LEU 5 -12.430 -8.344 18.824 1.00 0.10 H ATOM 64 2HD2 LEU 5 -11.042 -7.741 19.769 1.00 0.10 H ATOM 65 3HD2 LEU 5 -11.513 -6.926 18.269 1.00 0.10 H ATOM 66 N LEU 6 -8.835 -12.566 20.160 1.00 -0.42 N ATOM 67 H LEU 6 -8.016 -12.160 19.718 1.00 0.27 H ATOM 68 CA LEU 6 -8.792 -13.978 20.536 1.00 -0.05 C ATOM 69 HA LEU 6 -9.712 -14.465 20.214 1.00 0.09 H ATOM 70 C LEU 6 -8.685 -14.097 22.050 1.00 0.60 C ATOM 71 O LEU 6 -9.268 -14.985 22.657 1.00 -0.57 O ATOM 72 CB LEU 6 -7.592 -14.677 19.887 1.00 -0.11 C ATOM 73 1HB LEU 6 -6.686 -14.197 20.257 1.00 0.05 H ATOM 74 2HB LEU 6 -7.580 -15.711 20.232 1.00 0.05 H ATOM 75 CG LEU 6 -7.523 -14.687 18.351 1.00 0.35 C ATOM 76 HG LEU 6 -7.577 -13.659 17.991 1.00 -0.04 H ATOM 77 CD1 LEU 6 -6.187 -15.270 17.901 1.00 -0.41 C ATOM 78 1HD1 LEU 6 -5.368 -14.682 18.317 1.00 0.10 H ATOM 79 2HD1 LEU 6 -6.093 -16.304 18.241 1.00 0.10 H ATOM 80 3HD1 LEU 6 -6.119 -15.247 16.814 1.00 0.10 H ATOM 81 CD2 LEU 6 -8.669 -15.476 17.716 1.00 -0.41 C ATOM 82 1HD2 LEU 6 -8.556 -15.489 16.632 1.00 0.10 H ATOM 83 2HD2 LEU 6 -8.668 -16.504 18.084 1.00 0.10 H ATOM 84 3HD2 LEU 6 -9.625 -15.011 17.957 1.00 0.10 H ATOM 85 N ALA 7 -7.983 -13.160 22.672 1.00 -0.42 N ATOM 86 H ALA 7 -7.513 -12.450 22.132 1.00 0.27 H ATOM 87 CA ALA 7 -7.883 -13.141 24.128 1.00 0.03 C ATOM 88 HA ALA 7 -7.592 -14.136 24.469 1.00 0.08 H ATOM 89 C ALA 7 -9.248 -12.807 24.740 1.00 0.60 C ATOM 90 O ALA 7 -9.623 -13.351 25.778 1.00 -0.57 O ATOM 91 CB ALA 7 -6.812 -12.134 24.573 1.00 -0.18 C ATOM 92 1HB ALA 7 -5.853 -12.394 24.121 1.00 0.06 H ATOM 93 2HB ALA 7 -7.092 -11.124 24.274 1.00 0.06 H ATOM 94 3HB ALA 7 -6.710 -12.172 25.658 1.00 0.06 H ATOM 95 N LYS 8 -10.013 -11.939 24.085 1.00 -0.35 N ATOM 96 H LYS 8 -9.647 -11.478 23.257 1.00 0.28 H ATOM 97 CA LYS 8 -11.380 -11.661 24.539 1.00 -0.24 C ATOM 98 HA LYS 8 -11.356 -11.380 25.591 1.00 0.14 H ATOM 99 C LYS 8 -12.223 -12.921 24.414 1.00 0.73 C ATOM 100 O LYS 8 -12.939 -13.264 25.344 1.00 -0.59 O ATOM 101 CB LYS 8 -12.055 -10.546 23.732 1.00 -0.01 C ATOM 102 1HB LYS 8 -12.043 -10.814 22.678 1.00 0.04 H ATOM 103 2HB LYS 8 -13.096 -10.488 24.050 1.00 0.04 H ATOM 104 CG LYS 8 -11.437 -9.165 23.888 1.00 0.02 C ATOM 105 1HG LYS 8 -11.451 -8.882 24.940 1.00 0.01 H ATOM 106 2HG LYS 8 -10.410 -9.180 23.534 1.00 0.01 H ATOM 107 CD LYS 8 -12.232 -8.146 23.080 1.00 -0.05 C ATOM 108 1HD LYS 8 -12.259 -8.461 22.036 1.00 0.06 H ATOM 109 2HD LYS 8 -13.252 -8.110 23.466 1.00 0.06 H ATOM 110 CE LYS 8 -11.613 -6.754 23.170 1.00 -0.01 C ATOM 111 1HE LYS 8 -11.535 -6.470 24.222 1.00 0.11 H ATOM 112 2HE LYS 8 -10.608 -6.783 22.742 1.00 0.11 H ATOM 113 NZ LYS 8 -12.446 -5.733 22.440 1.00 -0.38 N ATOM 114 1HZ LYS 8 -13.372 -5.691 22.847 1.00 0.17 H ATOM 115 2HZ LYS 8 -12.015 -4.820 22.512 1.00 0.17 H ATOM 116 3HZ LYS 8 -12.527 -5.985 21.464 1.00 0.17 H ATOM 117 N ALA 9 -12.121 -13.619 23.293 1.00 -0.42 N ATOM 118 H ALA 9 -11.508 -13.294 22.552 1.00 0.27 H ATOM 119 CA ALA 9 -12.900 -14.834 23.076 1.00 0.03 C ATOM 120 HA ALA 9 -13.954 -14.591 23.210 1.00 0.08 H ATOM 121 C ALA 9 -12.543 -15.923 24.092 1.00 0.60 C ATOM 122 O ALA 9 -13.423 -16.619 24.585 1.00 -0.57 O ATOM 123 CB ALA 9 -12.689 -15.335 21.641 1.00 -0.18 C ATOM 124 1HB ALA 9 -13.313 -16.214 21.470 1.00 0.06 H ATOM 125 2HB ALA 9 -12.968 -14.555 20.931 1.00 0.06 H ATOM 126 3HB ALA 9 -11.644 -15.606 21.488 1.00 0.06 H ATOM 127 N ALA 10 -11.270 -16.044 24.440 1.00 -0.42 N ATOM 128 H ALA 10 -10.567 -15.481 23.970 1.00 0.27 H ATOM 129 CA ALA 10 -10.846 -17.006 25.452 1.00 0.03 C ATOM 130 HA ALA 10 -11.191 -17.997 25.153 1.00 0.08 H ATOM 131 C ALA 10 -11.471 -16.682 26.813 1.00 0.60 C ATOM 132 O ALA 10 -11.921 -17.570 27.530 1.00 -0.57 O ATOM 133 CB ALA 10 -9.314 -17.018 25.544 1.00 -0.18 C ATOM 134 1HB ALA 10 -9.001 -17.762 26.278 1.00 0.06 H ATOM 135 2HB ALA 10 -8.891 -17.278 24.572 1.00 0.06 H ATOM 136 3HB ALA 10 -8.947 -16.037 25.845 1.00 0.06 H ATOM 137 N LYS 11 -11.530 -15.404 27.165 1.00 -0.35 N ATOM 138 H LYS 11 -11.134 -14.697 26.553 1.00 0.28 H ATOM 139 CA LYS 11 -12.160 -15.007 28.427 1.00 -0.24 C ATOM 140 HA LYS 11 -11.778 -15.651 29.220 1.00 0.14 H ATOM 141 C LYS 11 -13.667 -15.210 28.400 1.00 0.73 C ATOM 142 O LYS 11 -14.240 -15.591 29.408 1.00 -0.59 O ATOM 143 CB LYS 11 -11.832 -13.557 28.778 1.00 -0.01 C ATOM 144 1HB LYS 11 -12.079 -12.917 27.931 1.00 0.04 H ATOM 145 2HB LYS 11 -12.447 -13.262 29.629 1.00 0.04 H ATOM 146 CG LYS 11 -10.370 -13.363 29.156 1.00 0.02 C ATOM 147 1HG LYS 11 -10.134 -14.020 29.993 1.00 0.01 H ATOM 148 2HG LYS 11 -9.736 -13.630 28.314 1.00 0.01 H ATOM 149 CD LYS 11 -10.081 -11.928 29.558 1.00 -0.05 C ATOM 150 1HD LYS 11 -10.337 -11.264 28.732 1.00 0.06 H ATOM 151 2HD LYS 11 -10.690 -11.674 30.427 1.00 0.06 H ATOM 152 CE LYS 11 -8.605 -11.769 29.907 1.00 -0.01 C ATOM 153 1HE LYS 11 -8.349 -12.492 30.685 1.00 0.11 H ATOM 154 2HE LYS 11 -8.007 -11.992 29.020 1.00 0.11 H ATOM 155 NZ LYS 11 -8.285 -10.382 30.396 1.00 -0.38 N ATOM 156 1HZ LYS 11 -7.300 -10.315 30.619 1.00 0.17 H ATOM 157 2HZ LYS 11 -8.510 -9.704 29.681 1.00 0.17 H ATOM 158 3HZ LYS 11 -8.825 -10.179 31.226 1.00 0.17 H ATOM 159 N LEU 12 -14.305 -15.009 27.258 1.00 -0.42 N ATOM 160 H LEU 12 -13.799 -14.650 26.455 1.00 0.27 H ATOM 161 CA LEU 12 -15.739 -15.282 27.134 1.00 -0.05 C ATOM 162 HA LEU 12 -16.266 -14.801 27.957 1.00 0.09 H ATOM 163 C LEU 12 -16.012 -16.780 27.229 1.00 0.60 C ATOM 164 O LEU 12 -17.006 -17.193 27.807 1.00 -0.57 O ATOM 165 CB LEU 12 -16.282 -14.745 25.805 1.00 -0.11 C ATOM 166 1HB LEU 12 -15.657 -15.139 25.006 1.00 0.05 H ATOM 167 2HB LEU 12 -17.286 -15.149 25.668 1.00 0.05 H ATOM 168 CG LEU 12 -16.369 -13.218 25.649 1.00 0.35 C ATOM 169 HG LEU 12 -15.404 -12.783 25.895 1.00 -0.04 H ATOM 170 CD1 LEU 12 -16.690 -12.865 24.197 1.00 -0.41 C ATOM 171 1HD1 LEU 12 -15.915 -13.262 23.542 1.00 0.10 H ATOM 172 2HD1 LEU 12 -17.655 -13.289 23.913 1.00 0.10 H ATOM 173 3HD1 LEU 12 -16.726 -11.783 24.082 1.00 0.10 H ATOM 174 CD2 LEU 12 -17.421 -12.599 26.571 1.00 -0.41 C ATOM 175 1HD2 LEU 12 -18.401 -13.039 26.377 1.00 0.10 H ATOM 176 2HD2 LEU 12 -17.157 -12.775 27.614 1.00 0.10 H ATOM 177 3HD2 LEU 12 -17.473 -11.523 26.408 1.00 0.10 H ATOM 178 N GLY 13 -15.105 -17.602 26.723 1.00 -0.42 N ATOM 179 H GLY 13 -14.307 -17.229 26.218 1.00 0.27 H ATOM 180 CA GLY 13 -15.244 -19.045 26.854 1.00 -0.03 C ATOM 181 1HA GLY 13 -16.233 -19.339 26.502 1.00 0.07 H ATOM 182 2HA GLY 13 -14.492 -19.531 26.234 1.00 0.07 H ATOM 183 C GLY 13 -15.084 -19.534 28.281 1.00 0.60 C ATOM 184 O GLY 13 -15.546 -20.615 28.630 1.00 -0.57 O ATOM 185 N ALA 14 -14.439 -18.729 29.115 1.00 -0.42 N ATOM 186 H ALA 14 -14.056 -17.863 28.764 1.00 0.27 H ATOM 187 CA ALA 14 -14.255 -19.038 30.529 1.00 0.03 C ATOM 188 HA ALA 14 -14.254 -20.121 30.658 1.00 0.08 H ATOM 189 C ALA 14 -15.384 -18.456 31.392 1.00 0.60 C ATOM 190 O ALA 14 -15.456 -18.738 32.586 1.00 -0.57 O ATOM 191 CB ALA 14 -12.896 -18.491 30.988 1.00 -0.18 C ATOM 192 1HB ALA 14 -12.104 -18.899 30.360 1.00 0.06 H ATOM 193 2HB ALA 14 -12.895 -17.403 30.917 1.00 0.06 H ATOM 194 3HB ALA 14 -12.723 -18.781 32.025 1.00 0.06 H ATOM 195 N ASN 15 -16.251 -17.643 30.802 1.00 -0.42 N ATOM 196 H ASN 15 -16.191 -17.500 29.802 1.00 0.27 H ATOM 197 CA ASN 15 -17.317 -16.933 31.522 1.00 0.01 C ATOM 198 HA ASN 15 -16.959 -16.702 32.527 1.00 0.10 H ATOM 199 C ASN 15 -18.549 -17.834 31.648 1.00 0.60 C ATOM 200 O ASN 15 -19.654 -17.509 31.223 1.00 -0.57 O ATOM 201 CB ASN 15 -17.635 -15.623 30.785 1.00 -0.20 C ATOM 202 1HB ASN 15 -16.701 -15.109 30.570 1.00 0.08 H ATOM 203 2HB ASN 15 -18.130 -15.860 29.844 1.00 0.08 H ATOM 204 CG ASN 15 -18.533 -14.669 31.565 1.00 0.71 C ATOM 205 OD1 ASN 15 -18.999 -13.692 30.992 1.00 -0.59 O ATOM 206 ND2 ASN 15 -18.747 -14.880 32.839 1.00 -0.92 N ATOM 207 1HD2 ASN 15 -19.333 -14.241 33.339 1.00 0.42 H ATOM 208 2HD2 ASN 15 -18.361 -15.681 33.337 1.00 0.42 H ATOM 209 N LEU 16 -18.311 -19.008 32.212 1.00 -0.42 N ATOM 210 H LEU 16 -17.361 -19.203 32.514 1.00 0.27 H ATOM 211 CA LEU 16 -19.345 -20.013 32.454 1.00 -0.05 C ATOM 212 HA LEU 16 -20.190 -19.842 31.788 1.00 0.09 H ATOM 213 C LEU 16 -19.817 -19.875 33.898 1.00 0.60 C ATOM 214 O LEU 16 -20.755 -20.539 34.343 1.00 -0.57 O ATOM 215 CB LEU 16 -18.767 -21.412 32.215 1.00 -0.11 C ATOM 216 1HB LEU 16 -17.986 -21.577 32.958 1.00 0.05 H ATOM 217 2HB LEU 16 -19.557 -22.141 32.392 1.00 0.05 H ATOM 218 CG LEU 16 -18.157 -21.677 30.828 1.00 0.35 C ATOM 219 HG LEU 16 -17.365 -20.952 30.654 1.00 -0.04 H ATOM 220 CD1 LEU 16 -17.526 -23.068 30.803 1.00 -0.41 C ATOM 221 1HD1 LEU 16 -18.288 -23.833 30.950 1.00 0.10 H ATOM 222 2HD1 LEU 16 -17.034 -23.220 29.841 1.00 0.10 H ATOM 223 3HD1 LEU 16 -16.775 -23.142 31.589 1.00 0.10 H ATOM 224 CD2 LEU 16 -19.173 -21.557 29.689 1.00 -0.41 C ATOM 225 1HD2 LEU 16 -20.001 -22.247 29.845 1.00 0.10 H ATOM 226 2HD2 LEU 16 -19.553 -20.535 29.645 1.00 0.10 H ATOM 227 3HD2 LEU 16 -18.682 -21.777 28.741 1.00 0.10 H ATOM 228 N LEU 17 -19.113 -19.003 34.606 1.00 -0.42 N ATOM 229 H LEU 17 -18.367 -18.488 34.155 1.00 0.27 H ATOM 230 CA LEU 17 -19.356 -18.595 35.981 1.00 -0.05 C ATOM 231 HA LEU 17 -20.399 -18.720 36.267 1.00 0.09 H ATOM 232 C LEU 17 -18.997 -17.122 35.859 1.00 0.60 C ATOM 233 O LEU 17 -18.211 -16.863 34.909 1.00 -0.57 O ATOM 234 OXT LEU 17 -19.463 -16.275 36.641 1.00 -0.57 O ATOM 235 CB LEU 17 -18.403 -19.298 36.958 1.00 -0.11 C ATOM 236 1HB LEU 17 -17.389 -19.119 36.602 1.00 0.05 H ATOM 237 2HB LEU 17 -18.502 -18.800 37.922 1.00 0.05 H ATOM 238 CG LEU 17 -18.564 -20.807 37.183 1.00 0.35 C ATOM 239 HG LEU 17 -18.472 -21.320 36.226 1.00 -0.04 H ATOM 240 CD1 LEU 17 -17.447 -21.302 38.098 1.00 -0.41 C ATOM 241 1HD1 LEU 17 -16.482 -21.087 37.639 1.00 0.10 H ATOM 242 2HD1 LEU 17 -17.508 -20.805 39.066 1.00 0.10 H ATOM 243 3HD1 LEU 17 -17.538 -22.379 38.235 1.00 0.10 H ATOM 244 CD2 LEU 17 -19.918 -21.156 37.792 1.00 -0.41 C ATOM 245 1HD2 LEU 17 -20.706 -20.889 37.085 1.00 0.10 H ATOM 246 2HD2 LEU 17 -19.975 -22.226 37.981 1.00 0.10 H ATOM 247 3HD2 LEU 17 -20.067 -20.606 38.720 1.00 0.10 H TER 248 LEU 17 END