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\INLKAIAALAKKLL.pdb REMARK YASARA Written on: Wed May 14 17:34:56 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 237 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 14 ILE ASN LEU LYS ALA ILE ALA ALA LEU ALA LYS LYS LEU SEQRES 2 14 LEU ATOM 1 N ILE 1 -5.440 -4.558 13.013 1.00 -0.42 N ATOM 2 1H ILE 1 -4.924 -3.837 12.528 1.00 -0.42 H ATOM 3 2H ILE 1 -5.892 -4.160 13.825 1.00 -0.42 H ATOM 4 3H ILE 1 -4.804 -5.282 13.314 1.00 0.27 H ATOM 5 CA ILE 1 -6.468 -5.145 12.100 1.00 -0.06 C ATOM 6 HA ILE 1 -7.170 -4.360 11.818 1.00 0.09 H ATOM 7 C ILE 1 -7.243 -6.233 12.829 1.00 0.60 C ATOM 8 O ILE 1 -6.735 -6.758 13.818 1.00 -0.57 O ATOM 9 CB ILE 1 -5.807 -5.710 10.801 1.00 0.13 C ATOM 10 HB ILE 1 -6.595 -6.149 10.188 1.00 0.02 H ATOM 11 CG1 ILE 1 -4.781 -6.821 11.128 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -3.949 -6.385 11.681 1.00 0.02 H ATOM 13 2HG1 ILE 1 -5.257 -7.565 11.765 1.00 0.02 H ATOM 14 CG2 ILE 1 -5.164 -4.556 9.987 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -5.876 -3.739 9.840 1.00 0.09 H ATOM 16 2HG2 ILE 1 -4.262 -4.173 10.469 1.00 0.09 H ATOM 17 3HG2 ILE 1 -4.883 -4.918 8.993 1.00 0.09 H ATOM 18 CD1 ILE 1 -4.203 -7.560 9.915 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -5.005 -7.946 9.286 1.00 0.02 H ATOM 20 2HD1 ILE 1 -3.575 -6.889 9.325 1.00 0.02 H ATOM 21 3HD1 ILE 1 -3.588 -8.394 10.257 1.00 0.02 H ATOM 22 N ASN 2 -8.453 -6.572 12.391 1.00 -0.42 N ATOM 23 H ASN 2 -8.843 -6.149 11.559 1.00 0.27 H ATOM 24 CA ASN 2 -9.299 -7.499 13.154 1.00 0.01 C ATOM 25 HA ASN 2 -9.443 -7.075 14.146 1.00 0.10 H ATOM 26 C ASN 2 -8.690 -8.887 13.341 1.00 0.60 C ATOM 27 O ASN 2 -8.885 -9.522 14.361 1.00 -0.57 O ATOM 28 CB ASN 2 -10.683 -7.652 12.517 1.00 -0.20 C ATOM 29 1HB ASN 2 -11.085 -6.666 12.285 1.00 0.08 H ATOM 30 2HB ASN 2 -10.600 -8.229 11.596 1.00 0.08 H ATOM 31 CG ASN 2 -11.655 -8.348 13.444 1.00 0.71 C ATOM 32 OD1 ASN 2 -11.662 -8.090 14.632 1.00 -0.59 O ATOM 33 ND2 ASN 2 -12.460 -9.229 12.920 1.00 -0.92 N ATOM 34 1HD2 ASN 2 -13.101 -9.706 13.536 1.00 0.42 H ATOM 35 2HD2 ASN 2 -12.451 -9.420 11.934 1.00 0.42 H ATOM 36 N LEU 3 -7.862 -9.299 12.392 1.00 -0.42 N ATOM 37 H LEU 3 -7.711 -8.717 11.587 1.00 0.27 H ATOM 38 CA LEU 3 -7.174 -10.593 12.429 1.00 -0.05 C ATOM 39 HA LEU 3 -7.921 -11.387 12.500 1.00 0.09 H ATOM 40 C LEU 3 -6.233 -10.763 13.626 1.00 0.60 C ATOM 41 O LEU 3 -5.805 -11.871 13.924 1.00 -0.57 O ATOM 42 CB LEU 3 -6.363 -10.806 11.141 1.00 -0.11 C ATOM 43 1HB LEU 3 -5.658 -9.983 11.050 1.00 0.05 H ATOM 44 2HB LEU 3 -5.771 -11.707 11.304 1.00 0.05 H ATOM 45 CG LEU 3 -7.053 -10.999 9.775 1.00 0.35 C ATOM 46 HG LEU 3 -7.771 -11.812 9.869 1.00 -0.04 H ATOM 47 CD1 LEU 3 -7.792 -9.768 9.220 1.00 -0.41 C ATOM 48 1HD1 LEU 3 -7.124 -8.912 9.168 1.00 0.10 H ATOM 49 2HD1 LEU 3 -8.154 -9.993 8.213 1.00 0.10 H ATOM 50 3HD1 LEU 3 -8.659 -9.549 9.837 1.00 0.10 H ATOM 51 CD2 LEU 3 -5.987 -11.421 8.764 1.00 -0.41 C ATOM 52 1HD2 LEU 3 -6.457 -11.621 7.798 1.00 0.10 H ATOM 53 2HD2 LEU 3 -5.237 -10.640 8.639 1.00 0.10 H ATOM 54 3HD2 LEU 3 -5.503 -12.341 9.095 1.00 0.10 H ATOM 55 N LYS 4 -5.919 -9.677 14.324 1.00 -0.35 N ATOM 56 H LYS 4 -6.232 -8.776 13.993 1.00 0.28 H ATOM 57 CA LYS 4 -5.202 -9.756 15.603 1.00 -0.24 C ATOM 58 HA LYS 4 -5.009 -10.804 15.832 1.00 0.14 H ATOM 59 C LYS 4 -6.033 -9.230 16.769 1.00 0.73 C ATOM 60 O LYS 4 -5.798 -9.609 17.906 1.00 -0.59 O ATOM 61 CB LYS 4 -3.855 -9.026 15.519 1.00 -0.01 C ATOM 62 1HB LYS 4 -4.046 -7.975 15.303 1.00 0.04 H ATOM 63 2HB LYS 4 -3.367 -9.089 16.492 1.00 0.04 H ATOM 64 CG LYS 4 -2.887 -9.572 14.452 1.00 0.02 C ATOM 65 1HG LYS 4 -3.362 -9.510 13.473 1.00 0.01 H ATOM 66 2HG LYS 4 -1.996 -8.944 14.438 1.00 0.01 H ATOM 67 CD LYS 4 -2.460 -11.024 14.706 1.00 -0.05 C ATOM 68 1HD LYS 4 -1.976 -11.090 15.682 1.00 0.06 H ATOM 69 2HD LYS 4 -3.337 -11.669 14.705 1.00 0.06 H ATOM 70 CE LYS 4 -1.504 -11.520 13.628 1.00 -0.01 C ATOM 71 1HE LYS 4 -1.974 -11.397 12.650 1.00 0.11 H ATOM 72 2HE LYS 4 -0.589 -10.923 13.657 1.00 0.11 H ATOM 73 NZ LYS 4 -1.168 -12.970 13.840 1.00 -0.38 N ATOM 74 1HZ LYS 4 -2.014 -13.524 13.820 1.00 0.17 H ATOM 75 2HZ LYS 4 -0.546 -13.291 13.109 1.00 0.17 H ATOM 76 3HZ LYS 4 -0.715 -13.091 14.736 1.00 0.17 H ATOM 77 N ALA 5 -7.043 -8.416 16.493 1.00 -0.42 N ATOM 78 H ALA 5 -7.229 -8.150 15.542 1.00 0.27 H ATOM 79 CA ALA 5 -7.932 -7.907 17.539 1.00 0.03 C ATOM 80 HA ALA 5 -7.329 -7.455 18.328 1.00 0.08 H ATOM 81 C ALA 5 -8.739 -9.052 18.157 1.00 0.60 C ATOM 82 O ALA 5 -9.086 -9.021 19.335 1.00 -0.57 O ATOM 83 CB ALA 5 -8.871 -6.843 16.966 1.00 -0.18 C ATOM 84 1HB ALA 5 -9.437 -6.389 17.783 1.00 0.06 H ATOM 85 2HB ALA 5 -8.299 -6.068 16.459 1.00 0.06 H ATOM 86 3HB ALA 5 -9.580 -7.304 16.277 1.00 0.06 H ATOM 87 N ILE 6 -8.969 -10.101 17.381 1.00 -0.42 N ATOM 88 H ILE 6 -8.717 -10.071 16.400 1.00 0.27 H ATOM 89 CA ILE 6 -9.608 -11.309 17.897 1.00 -0.06 C ATOM 90 HA ILE 6 -10.542 -10.992 18.355 1.00 0.09 H ATOM 91 C ILE 6 -8.842 -12.022 19.016 1.00 0.60 C ATOM 92 O ILE 6 -9.428 -12.836 19.716 1.00 -0.57 O ATOM 93 CB ILE 6 -10.000 -12.303 16.758 1.00 0.13 C ATOM 94 HB ILE 6 -10.393 -13.212 17.215 1.00 0.02 H ATOM 95 CG1 ILE 6 -8.820 -12.685 15.833 1.00 -0.04 C ATOM 96 1HG1 ILE 6 -9.247 -13.113 14.925 1.00 0.02 H ATOM 97 2HG1 ILE 6 -8.282 -11.788 15.537 1.00 0.02 H ATOM 98 CG2 ILE 6 -11.134 -11.686 15.908 1.00 -0.32 C ATOM 99 1HG2 ILE 6 -11.987 -11.451 16.547 1.00 0.09 H ATOM 100 2HG2 ILE 6 -10.802 -10.772 15.419 1.00 0.09 H ATOM 101 3HG2 ILE 6 -11.459 -12.401 15.150 1.00 0.09 H ATOM 102 CD1 ILE 6 -7.805 -13.701 16.369 1.00 -0.07 C ATOM 103 1HD1 ILE 6 -8.326 -14.573 16.769 1.00 0.02 H ATOM 104 2HD1 ILE 6 -7.153 -14.018 15.554 1.00 0.02 H ATOM 105 3HD1 ILE 6 -7.194 -13.253 17.148 1.00 0.02 H ATOM 106 N ALA 7 -7.580 -11.693 19.266 1.00 -0.42 N ATOM 107 H ALA 7 -7.095 -11.023 18.682 1.00 0.27 H ATOM 108 CA ALA 7 -6.887 -12.265 20.418 1.00 0.03 C ATOM 109 HA ALA 7 -7.056 -13.344 20.436 1.00 0.08 H ATOM 110 C ALA 7 -7.469 -11.662 21.703 1.00 0.60 C ATOM 111 O ALA 7 -7.626 -12.339 22.717 1.00 -0.57 O ATOM 112 CB ALA 7 -5.381 -11.994 20.317 1.00 -0.18 C ATOM 113 1HB ALA 7 -4.877 -12.428 21.183 1.00 0.06 H ATOM 114 2HB ALA 7 -4.986 -12.449 19.409 1.00 0.06 H ATOM 115 3HB ALA 7 -5.193 -10.919 20.295 1.00 0.06 H ATOM 116 N ALA 8 -7.825 -10.385 21.648 1.00 -0.42 N ATOM 117 H ALA 8 -7.700 -9.866 20.789 1.00 0.27 H ATOM 118 CA ALA 8 -8.434 -9.714 22.791 1.00 0.03 C ATOM 119 HA ALA 8 -7.877 -9.970 23.693 1.00 0.08 H ATOM 120 C ALA 8 -9.870 -10.212 22.947 1.00 0.60 C ATOM 121 O ALA 8 -10.362 -10.365 24.060 1.00 -0.57 O ATOM 122 CB ALA 8 -8.398 -8.192 22.596 1.00 -0.18 C ATOM 123 1HB ALA 8 -8.832 -7.705 23.470 1.00 0.06 H ATOM 124 2HB ALA 8 -7.366 -7.859 22.478 1.00 0.06 H ATOM 125 3HB ALA 8 -8.971 -7.911 21.711 1.00 0.06 H ATOM 126 N LEU 9 -10.527 -10.500 21.832 1.00 -0.42 N ATOM 127 H LEU 9 -10.094 -10.309 20.937 1.00 0.27 H ATOM 128 CA LEU 9 -11.872 -11.076 21.874 1.00 -0.05 C ATOM 129 HA LEU 9 -12.507 -10.430 22.479 1.00 0.09 H ATOM 130 C LEU 9 -11.848 -12.460 22.521 1.00 0.60 C ATOM 131 O LEU 9 -12.667 -12.750 23.378 1.00 -0.57 O ATOM 132 CB LEU 9 -12.457 -11.173 20.462 1.00 -0.11 C ATOM 133 1HB LEU 9 -12.389 -10.188 20.000 1.00 0.05 H ATOM 134 2HB LEU 9 -11.832 -11.855 19.891 1.00 0.05 H ATOM 135 CG LEU 9 -13.905 -11.669 20.323 1.00 0.35 C ATOM 136 HG LEU 9 -13.979 -12.662 20.764 1.00 -0.04 H ATOM 137 CD1 LEU 9 -14.916 -10.755 21.018 1.00 -0.41 C ATOM 138 1HD1 LEU 9 -14.746 -10.771 22.095 1.00 0.10 H ATOM 139 2HD1 LEU 9 -14.825 -9.735 20.644 1.00 0.10 H ATOM 140 3HD1 LEU 9 -15.927 -11.120 20.830 1.00 0.10 H ATOM 141 CD2 LEU 9 -14.247 -11.783 18.838 1.00 -0.41 C ATOM 142 1HD2 LEU 9 -15.261 -12.168 18.728 1.00 0.10 H ATOM 143 2HD2 LEU 9 -14.178 -10.807 18.356 1.00 0.10 H ATOM 144 3HD2 LEU 9 -13.560 -12.479 18.356 1.00 0.10 H ATOM 145 N ALA 10 -10.881 -13.291 22.156 1.00 -0.42 N ATOM 146 H ALA 10 -10.235 -13.016 21.420 1.00 0.27 H ATOM 147 CA ALA 10 -10.736 -14.621 22.746 1.00 0.03 C ATOM 148 HA ALA 10 -11.688 -15.147 22.654 1.00 0.08 H ATOM 149 C ALA 10 -10.388 -14.543 24.237 1.00 0.60 C ATOM 150 O ALA 10 -10.832 -15.360 25.040 1.00 -0.57 O ATOM 151 CB ALA 10 -9.660 -15.403 21.982 1.00 -0.18 C ATOM 152 1HB ALA 10 -9.936 -15.473 20.929 1.00 0.06 H ATOM 153 2HB ALA 10 -8.696 -14.898 22.069 1.00 0.06 H ATOM 154 3HB ALA 10 -9.577 -16.408 22.398 1.00 0.06 H ATOM 155 N LYS 11 -9.609 -13.538 24.617 1.00 -0.35 N ATOM 156 H LYS 11 -9.200 -12.931 23.912 1.00 0.28 H ATOM 157 CA LYS 11 -9.333 -13.286 26.033 1.00 -0.24 C ATOM 158 HA LYS 11 -8.947 -14.199 26.487 1.00 0.14 H ATOM 159 C LYS 11 -10.622 -12.923 26.760 1.00 0.73 C ATOM 160 O LYS 11 -10.786 -13.268 27.936 1.00 -0.59 O ATOM 161 CB LYS 11 -8.288 -12.166 26.184 1.00 -0.01 C ATOM 162 1HB LYS 11 -7.381 -12.479 25.667 1.00 0.04 H ATOM 163 2HB LYS 11 -8.654 -11.266 25.698 1.00 0.04 H ATOM 164 CG LYS 11 -7.928 -11.817 27.632 1.00 0.02 C ATOM 165 1HG LYS 11 -8.141 -12.680 28.263 1.00 0.01 H ATOM 166 2HG LYS 11 -6.861 -11.607 27.693 1.00 0.01 H ATOM 167 CD LYS 11 -8.699 -10.587 28.151 1.00 -0.05 C ATOM 168 1HD LYS 11 -8.160 -9.689 27.847 1.00 0.06 H ATOM 169 2HD LYS 11 -9.693 -10.555 27.707 1.00 0.06 H ATOM 170 CE LYS 11 -8.846 -10.602 29.673 1.00 -0.01 C ATOM 171 1HE LYS 11 -7.880 -10.845 30.119 1.00 0.11 H ATOM 172 2HE LYS 11 -9.144 -9.606 30.008 1.00 0.11 H ATOM 173 NZ LYS 11 -9.884 -11.591 30.136 1.00 -0.38 N ATOM 174 1HZ LYS 11 -10.821 -11.222 29.958 1.00 0.17 H ATOM 175 2HZ LYS 11 -9.799 -12.462 29.625 1.00 0.17 H ATOM 176 3HZ LYS 11 -9.800 -11.761 31.126 1.00 0.17 H ATOM 177 N LYS 12 -11.525 -12.211 26.102 1.00 -0.35 N ATOM 178 H LYS 12 -11.367 -11.977 25.126 1.00 0.28 H ATOM 179 CA LYS 12 -12.751 -11.727 26.737 1.00 -0.24 C ATOM 180 HA LYS 12 -12.491 -11.492 27.766 1.00 0.14 H ATOM 181 C LYS 12 -13.872 -12.770 26.811 1.00 0.73 C ATOM 182 O LYS 12 -14.997 -12.567 26.369 1.00 -0.59 O ATOM 183 CB LYS 12 -13.231 -10.413 26.110 1.00 -0.01 C ATOM 184 1HB LYS 12 -12.362 -9.793 25.891 1.00 0.04 H ATOM 185 2HB LYS 12 -13.760 -10.619 25.179 1.00 0.04 H ATOM 186 CG LYS 12 -14.131 -9.647 27.076 1.00 0.02 C ATOM 187 1HG LYS 12 -14.963 -10.284 27.367 1.00 0.01 H ATOM 188 2HG LYS 12 -13.548 -9.416 27.965 1.00 0.01 H ATOM 189 CD LYS 12 -14.699 -8.360 26.523 1.00 -0.05 C ATOM 190 1HD LYS 12 -13.893 -7.642 26.372 1.00 0.06 H ATOM 191 2HD LYS 12 -15.185 -8.563 25.568 1.00 0.06 H ATOM 192 CE LYS 12 -15.736 -7.802 27.502 1.00 -0.01 C ATOM 193 1HE LYS 12 -16.168 -6.895 27.077 1.00 0.11 H ATOM 194 2HE LYS 12 -16.532 -8.542 27.613 1.00 0.11 H ATOM 195 NZ LYS 12 -15.176 -7.499 28.868 1.00 -0.38 N ATOM 196 1HZ LYS 12 -14.835 -8.360 29.307 1.00 0.17 H ATOM 197 2HZ LYS 12 -14.408 -6.851 28.802 1.00 0.17 H ATOM 198 3HZ LYS 12 -15.894 -7.118 29.465 1.00 0.17 H ATOM 199 N LEU 13 -13.566 -13.851 27.509 1.00 -0.42 N ATOM 200 H LEU 13 -12.590 -14.082 27.648 1.00 0.27 H ATOM 201 CA LEU 13 -14.584 -14.632 28.207 1.00 -0.05 C ATOM 202 HA LEU 13 -15.443 -14.777 27.550 1.00 0.09 H ATOM 203 C LEU 13 -15.039 -13.828 29.431 1.00 0.60 C ATOM 204 O LEU 13 -16.128 -14.031 29.960 1.00 -0.57 O ATOM 205 CB LEU 13 -14.017 -16.004 28.599 1.00 -0.11 C ATOM 206 1HB LEU 13 -14.832 -16.603 29.005 1.00 0.05 H ATOM 207 2HB LEU 13 -13.696 -16.487 27.676 1.00 0.05 H ATOM 208 CG LEU 13 -12.840 -16.066 29.591 1.00 0.35 C ATOM 209 HG LEU 13 -12.317 -15.111 29.577 1.00 -0.04 H ATOM 210 CD1 LEU 13 -13.307 -16.339 31.021 1.00 -0.41 C ATOM 211 1HD1 LEU 13 -14.017 -15.570 31.330 1.00 0.10 H ATOM 212 2HD1 LEU 13 -13.796 -17.312 31.078 1.00 0.10 H ATOM 213 3HD1 LEU 13 -12.454 -16.320 31.698 1.00 0.10 H ATOM 214 CD2 LEU 13 -11.848 -17.145 29.166 1.00 -0.41 C ATOM 215 1HD2 LEU 13 -12.336 -18.121 29.148 1.00 0.10 H ATOM 216 2HD2 LEU 13 -11.464 -16.916 28.169 1.00 0.10 H ATOM 217 3HD2 LEU 13 -11.011 -17.171 29.862 1.00 0.10 H ATOM 218 N LEU 14 -14.188 -12.897 29.852 1.00 -0.42 N ATOM 219 H LEU 14 -13.298 -12.802 29.390 1.00 0.27 H ATOM 220 CA LEU 14 -14.463 -11.932 30.914 1.00 -0.05 C ATOM 221 HA LEU 14 -15.533 -11.735 30.973 1.00 0.09 H ATOM 222 C LEU 14 -13.733 -10.661 30.510 1.00 0.60 C ATOM 223 O LEU 14 -14.301 -9.552 30.543 1.00 -0.57 O ATOM 224 OXT LEU 14 -12.566 -10.826 30.087 1.00 -0.57 O ATOM 225 CB LEU 14 -13.939 -12.457 32.257 1.00 -0.11 C ATOM 226 1HB LEU 14 -14.435 -13.405 32.463 1.00 0.05 H ATOM 227 2HB LEU 14 -12.874 -12.651 32.145 1.00 0.05 H ATOM 228 CG LEU 14 -14.121 -11.545 33.478 1.00 0.35 C ATOM 229 HG LEU 14 -13.605 -10.603 33.295 1.00 -0.04 H ATOM 230 CD1 LEU 14 -15.589 -11.247 33.767 1.00 -0.41 C ATOM 231 1HD1 LEU 14 -16.148 -12.177 33.870 1.00 0.10 H ATOM 232 2HD1 LEU 14 -15.675 -10.664 34.683 1.00 0.10 H ATOM 233 3HD1 LEU 14 -16.010 -10.665 32.947 1.00 0.10 H ATOM 234 CD2 LEU 14 -13.484 -12.213 34.690 1.00 -0.41 C ATOM 235 1HD2 LEU 14 -13.981 -13.161 34.901 1.00 0.10 H ATOM 236 2HD2 LEU 14 -12.427 -12.392 34.499 1.00 0.10 H ATOM 237 3HD2 LEU 14 -13.576 -11.558 35.556 1.00 0.10 H TER 238 LEU 14 END