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\AVVNGVNYVGETTAA.pdb REMARK YASARA Written on: Wed May 14 18:16:15 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 203 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 15 ALA VAL VAL ASN GLY VAL ASN TYR VAL GLY GLU THR THR SEQRES 2 15 ALA ALA ATOM 1 N ALA 1 -13.253 -13.740 15.526 1.00 -0.42 N ATOM 2 1H ALA 1 -13.001 -14.718 15.538 1.00 -0.42 H ATOM 3 2H ALA 1 -14.028 -13.603 16.162 1.00 -0.42 H ATOM 4 3H ALA 1 -13.524 -13.464 14.594 1.00 0.27 H ATOM 5 CA ALA 1 -12.092 -12.926 15.986 1.00 0.03 C ATOM 6 HA ALA 1 -11.889 -13.189 17.024 1.00 0.08 H ATOM 7 C ALA 1 -12.400 -11.422 15.931 1.00 0.60 C ATOM 8 O ALA 1 -11.545 -10.661 15.497 1.00 -0.57 O ATOM 9 CB ALA 1 -10.828 -13.266 15.153 1.00 -0.18 C ATOM 10 1HB ALA 1 -9.971 -12.714 15.546 1.00 0.06 H ATOM 11 2HB ALA 1 -10.612 -14.333 15.226 1.00 0.06 H ATOM 12 3HB ALA 1 -10.977 -12.991 14.107 1.00 0.06 H ATOM 13 N VAL 2 -13.541 -10.937 16.411 1.00 -0.42 N ATOM 14 H VAL 2 -14.246 -11.570 16.823 1.00 0.27 H ATOM 15 CA VAL 2 -13.822 -9.487 16.461 1.00 -0.09 C ATOM 16 HA VAL 2 -13.256 -8.991 15.672 1.00 0.10 H ATOM 17 C VAL 2 -13.309 -8.922 17.793 1.00 0.60 C ATOM 18 O VAL 2 -13.908 -8.063 18.434 1.00 -0.57 O ATOM 19 CB VAL 2 -15.332 -9.156 16.218 1.00 0.30 C ATOM 20 HB VAL 2 -15.472 -8.082 16.338 1.00 -0.03 H ATOM 21 CG1 VAL 2 -15.720 -9.514 14.777 1.00 -0.32 C ATOM 22 1HG1 VAL 2 -16.754 -9.219 14.594 1.00 0.08 H ATOM 23 2HG1 VAL 2 -15.079 -8.975 14.078 1.00 0.08 H ATOM 24 3HG1 VAL 2 -15.623 -10.586 14.608 1.00 0.08 H ATOM 25 CG2 VAL 2 -16.278 -9.884 17.190 1.00 -0.32 C ATOM 26 1HG2 VAL 2 -17.284 -9.475 17.090 1.00 0.08 H ATOM 27 2HG2 VAL 2 -16.314 -10.951 16.978 1.00 0.08 H ATOM 28 3HG2 VAL 2 -15.950 -9.733 18.219 1.00 0.08 H ATOM 29 N VAL 3 -12.177 -9.469 18.210 1.00 -0.42 N ATOM 30 H VAL 3 -11.626 -9.967 17.526 1.00 0.27 H ATOM 31 CA VAL 3 -11.691 -9.485 19.593 1.00 -0.09 C ATOM 32 HA VAL 3 -12.548 -9.695 20.235 1.00 0.10 H ATOM 33 C VAL 3 -11.082 -8.180 20.124 1.00 0.60 C ATOM 34 O VAL 3 -10.123 -8.192 20.892 1.00 -0.57 O ATOM 35 CB VAL 3 -10.681 -10.674 19.767 1.00 0.30 C ATOM 36 HB VAL 3 -10.212 -10.614 20.744 1.00 -0.03 H ATOM 37 CG1 VAL 3 -11.423 -12.010 19.721 1.00 -0.32 C ATOM 38 1HG1 VAL 3 -10.724 -12.829 19.575 1.00 0.08 H ATOM 39 2HG1 VAL 3 -11.930 -12.173 20.673 1.00 0.08 H ATOM 40 3HG1 VAL 3 -12.160 -12.034 18.922 1.00 0.08 H ATOM 41 CG2 VAL 3 -9.573 -10.649 18.694 1.00 -0.32 C ATOM 42 1HG2 VAL 3 -9.964 -10.889 17.707 1.00 0.08 H ATOM 43 2HG2 VAL 3 -9.098 -9.667 18.668 1.00 0.08 H ATOM 44 3HG2 VAL 3 -8.807 -11.384 18.950 1.00 0.08 H ATOM 45 N ASN 4 -11.647 -7.038 19.768 1.00 -0.42 N ATOM 46 H ASN 4 -12.463 -7.061 19.158 1.00 0.27 H ATOM 47 CA ASN 4 -11.202 -5.771 20.342 1.00 0.01 C ATOM 48 HA ASN 4 -10.135 -5.642 20.159 1.00 0.10 H ATOM 49 C ASN 4 -11.447 -5.854 21.850 1.00 0.60 C ATOM 50 O ASN 4 -12.518 -6.277 22.279 1.00 -0.57 O ATOM 51 CB ASN 4 -11.974 -4.593 19.748 1.00 -0.20 C ATOM 52 1HB ASN 4 -11.895 -4.621 18.662 1.00 0.08 H ATOM 53 2HB ASN 4 -13.023 -4.683 20.028 1.00 0.08 H ATOM 54 CG ASN 4 -11.457 -3.267 20.242 1.00 0.71 C ATOM 55 OD1 ASN 4 -10.363 -3.177 20.774 1.00 -0.59 O ATOM 56 ND2 ASN 4 -12.237 -2.234 20.088 1.00 -0.92 N ATOM 57 1HD2 ASN 4 -11.914 -1.341 20.420 1.00 0.42 H ATOM 58 2HD2 ASN 4 -13.138 -2.338 19.656 1.00 0.42 H ATOM 59 N GLY 5 -10.444 -5.537 22.657 1.00 -0.42 N ATOM 60 H GLY 5 -9.590 -5.167 22.263 1.00 0.27 H ATOM 61 CA GLY 5 -10.531 -5.734 24.098 1.00 -0.03 C ATOM 62 1HA GLY 5 -9.823 -5.075 24.596 1.00 0.07 H ATOM 63 2HA GLY 5 -11.537 -5.469 24.428 1.00 0.07 H ATOM 64 C GLY 5 -10.253 -7.167 24.519 1.00 0.60 C ATOM 65 O GLY 5 -9.348 -7.446 25.298 1.00 -0.57 O ATOM 66 N VAL 6 -11.012 -8.097 23.959 1.00 -0.42 N ATOM 67 H VAL 6 -11.705 -7.793 23.276 1.00 0.27 H ATOM 68 CA VAL 6 -10.946 -9.523 24.290 1.00 -0.09 C ATOM 69 HA VAL 6 -11.152 -9.635 25.354 1.00 0.10 H ATOM 70 C VAL 6 -9.559 -10.126 24.014 1.00 0.60 C ATOM 71 O VAL 6 -9.064 -10.969 24.761 1.00 -0.57 O ATOM 72 CB VAL 6 -12.053 -10.284 23.492 1.00 0.30 C ATOM 73 HB VAL 6 -11.795 -10.256 22.440 1.00 -0.03 H ATOM 74 CG1 VAL 6 -12.169 -11.735 23.926 1.00 -0.32 C ATOM 75 1HG1 VAL 6 -11.217 -12.242 23.778 1.00 0.08 H ATOM 76 2HG1 VAL 6 -12.447 -11.802 24.979 1.00 0.08 H ATOM 77 3HG1 VAL 6 -12.920 -12.249 23.323 1.00 0.08 H ATOM 78 CG2 VAL 6 -13.426 -9.601 23.655 1.00 -0.32 C ATOM 79 1HG2 VAL 6 -13.667 -9.479 24.713 1.00 0.08 H ATOM 80 2HG2 VAL 6 -13.436 -8.628 23.163 1.00 0.08 H ATOM 81 3HG2 VAL 6 -14.200 -10.213 23.187 1.00 0.08 H ATOM 82 N ASN 7 -8.867 -9.629 22.999 1.00 -0.42 N ATOM 83 H ASN 7 -9.296 -8.925 22.396 1.00 0.27 H ATOM 84 CA ASN 7 -7.512 -10.091 22.687 1.00 0.01 C ATOM 85 HA ASN 7 -7.558 -11.162 22.482 1.00 0.10 H ATOM 86 C ASN 7 -6.548 -9.858 23.853 1.00 0.60 C ATOM 87 O ASN 7 -5.572 -10.580 24.009 1.00 -0.57 O ATOM 88 CB ASN 7 -6.996 -9.353 21.442 1.00 -0.20 C ATOM 89 1HB ASN 7 -7.824 -9.215 20.755 1.00 0.08 H ATOM 90 2HB ASN 7 -6.614 -8.373 21.727 1.00 0.08 H ATOM 91 CG ASN 7 -5.927 -10.115 20.684 1.00 0.71 C ATOM 92 OD1 ASN 7 -6.152 -10.510 19.556 1.00 -0.59 O ATOM 93 ND2 ASN 7 -4.778 -10.314 21.262 1.00 -0.92 N ATOM 94 1HD2 ASN 7 -4.047 -10.757 20.732 1.00 0.42 H ATOM 95 2HD2 ASN 7 -4.646 -10.071 22.235 1.00 0.42 H ATOM 96 N TYR 8 -6.808 -8.863 24.688 1.00 -0.42 N ATOM 97 H TYR 8 -7.658 -8.311 24.593 1.00 0.27 H ATOM 98 CA TYR 8 -5.873 -8.515 25.755 1.00 -0.00 C ATOM 99 HA TYR 8 -4.862 -8.635 25.368 1.00 0.09 H ATOM 100 C TYR 8 -6.004 -9.421 26.974 1.00 0.60 C ATOM 101 O TYR 8 -5.149 -9.398 27.848 1.00 -0.57 O ATOM 102 CB TYR 8 -6.056 -7.050 26.152 1.00 -0.01 C ATOM 103 1HB TYR 8 -7.025 -6.935 26.635 1.00 0.03 H ATOM 104 2HB TYR 8 -5.279 -6.776 26.866 1.00 0.03 H ATOM 105 CG TYR 8 -5.995 -6.112 24.960 1.00 -0.00 C ATOM 106 CD1 TYR 8 -4.916 -6.154 24.049 1.00 -0.19 C ATOM 107 HD1 TYR 8 -4.089 -6.829 24.221 1.00 0.17 H ATOM 108 CD2 TYR 8 -7.033 -5.189 24.725 1.00 -0.19 C ATOM 109 HD2 TYR 8 -7.849 -5.118 25.430 1.00 0.17 H ATOM 110 CE1 TYR 8 -4.904 -5.322 22.896 1.00 -0.23 C ATOM 111 HE1 TYR 8 -4.079 -5.369 22.202 1.00 0.17 H ATOM 112 CE2 TYR 8 -7.023 -4.354 23.574 1.00 -0.23 C ATOM 113 HE2 TYR 8 -7.823 -3.650 23.399 1.00 0.17 H ATOM 114 CZ TYR 8 -5.963 -4.436 22.670 1.00 0.32 C ATOM 115 OH TYR 8 -5.970 -3.635 21.558 1.00 -0.56 O ATOM 116 HH TYR 8 -5.187 -3.744 21.015 1.00 0.40 H ATOM 117 N VAL 9 -7.043 -10.248 27.010 1.00 -0.42 N ATOM 118 H VAL 9 -7.753 -10.203 26.287 1.00 0.27 H ATOM 119 CA VAL 9 -7.181 -11.264 28.061 1.00 -0.09 C ATOM 120 HA VAL 9 -6.454 -11.045 28.842 1.00 0.10 H ATOM 121 C VAL 9 -6.787 -12.626 27.474 1.00 0.60 C ATOM 122 O VAL 9 -6.788 -13.648 28.147 1.00 -0.57 O ATOM 123 CB VAL 9 -8.588 -11.193 28.747 1.00 0.30 C ATOM 124 HB VAL 9 -8.865 -10.141 28.808 1.00 -0.03 H ATOM 125 CG1 VAL 9 -9.686 -11.914 27.964 1.00 -0.32 C ATOM 126 1HG1 VAL 9 -9.452 -12.976 27.881 1.00 0.08 H ATOM 127 2HG1 VAL 9 -10.637 -11.809 28.486 1.00 0.08 H ATOM 128 3HG1 VAL 9 -9.791 -11.481 26.978 1.00 0.08 H ATOM 129 CG2 VAL 9 -8.528 -11.724 30.185 1.00 -0.32 C ATOM 130 1HG2 VAL 9 -9.499 -11.604 30.665 1.00 0.08 H ATOM 131 2HG2 VAL 9 -8.259 -12.784 30.182 1.00 0.08 H ATOM 132 3HG2 VAL 9 -7.782 -11.168 30.752 1.00 0.08 H ATOM 133 N GLY 10 -6.396 -12.621 26.204 1.00 -0.42 N ATOM 134 H GLY 10 -6.385 -11.756 25.686 1.00 0.27 H ATOM 135 CA GLY 10 -5.903 -13.820 25.539 1.00 -0.03 C ATOM 136 1HA GLY 10 -5.193 -13.517 24.770 1.00 0.07 H ATOM 137 2HA GLY 10 -5.371 -14.435 26.265 1.00 0.07 H ATOM 138 C GLY 10 -6.962 -14.682 24.882 1.00 0.60 C ATOM 139 O GLY 10 -6.645 -15.634 24.176 1.00 -0.57 O ATOM 140 N GLU 11 -8.223 -14.327 25.074 1.00 -0.52 N ATOM 141 H GLU 11 -8.415 -13.514 25.635 1.00 0.29 H ATOM 142 CA GLU 11 -9.368 -15.080 24.549 1.00 0.04 C ATOM 143 HA GLU 11 -9.157 -16.148 24.639 1.00 0.11 H ATOM 144 C GLU 11 -9.646 -14.794 23.065 1.00 0.54 C ATOM 145 O GLU 11 -10.749 -14.442 22.647 1.00 -0.58 O ATOM 146 CB GLU 11 -10.590 -14.769 25.420 1.00 0.06 C ATOM 147 1HB GLU 11 -10.624 -13.694 25.593 1.00 -0.02 H ATOM 148 2HB GLU 11 -11.492 -15.064 24.900 1.00 -0.02 H ATOM 149 CG GLU 11 -10.593 -15.484 26.762 1.00 0.01 C ATOM 150 1HG GLU 11 -9.575 -15.536 27.152 1.00 -0.04 H ATOM 151 2HG GLU 11 -11.201 -14.907 27.460 1.00 -0.04 H ATOM 152 CD GLU 11 -11.172 -16.888 26.651 1.00 0.81 C ATOM 153 OE1 GLU 11 -12.231 -17.141 27.262 1.00 -0.57 O ATOM 154 OE2 GLU 11 -10.589 -17.731 25.934 1.00 -0.57 O ATOM 155 N THR 12 -8.627 -14.954 22.236 1.00 -0.42 N ATOM 156 H THR 12 -7.748 -15.320 22.611 1.00 0.27 H ATOM 157 CA THR 12 -8.687 -14.609 20.813 1.00 -0.04 C ATOM 158 HA THR 12 -9.031 -13.580 20.728 1.00 0.10 H ATOM 159 C THR 12 -9.629 -15.478 19.978 1.00 0.60 C ATOM 160 O THR 12 -9.848 -15.210 18.797 1.00 -0.57 O ATOM 161 CB THR 12 -7.282 -14.705 20.187 1.00 0.37 C ATOM 162 HB THR 12 -7.328 -14.434 19.132 1.00 0.00 H ATOM 163 OG1 THR 12 -6.792 -16.040 20.328 1.00 -0.68 O ATOM 164 HG1 THR 12 -7.135 -16.568 19.602 1.00 0.41 H ATOM 165 CG2 THR 12 -6.294 -13.797 20.900 1.00 -0.24 C ATOM 166 1HG2 THR 12 -6.083 -14.173 21.901 1.00 0.06 H ATOM 167 2HG2 THR 12 -5.364 -13.774 20.333 1.00 0.06 H ATOM 168 3HG2 THR 12 -6.694 -12.788 20.960 1.00 0.06 H ATOM 169 N THR 13 -10.177 -16.519 20.588 1.00 -0.42 N ATOM 170 H THR 13 -9.927 -16.714 21.548 1.00 0.27 H ATOM 171 CA THR 13 -11.118 -17.427 19.939 1.00 -0.04 C ATOM 172 HA THR 13 -11.162 -17.224 18.870 1.00 0.10 H ATOM 173 C THR 13 -12.537 -17.317 20.496 1.00 0.60 C ATOM 174 O THR 13 -13.440 -17.985 20.004 1.00 -0.57 O ATOM 175 CB THR 13 -10.641 -18.876 20.155 1.00 0.37 C ATOM 176 HB THR 13 -11.371 -19.577 19.750 1.00 0.00 H ATOM 177 OG1 THR 13 -10.452 -19.098 21.555 1.00 -0.68 O ATOM 178 HG1 THR 13 -11.310 -19.240 21.969 1.00 0.41 H ATOM 179 CG2 THR 13 -9.285 -19.120 19.501 1.00 -0.24 C ATOM 180 1HG2 THR 13 -9.041 -20.179 19.583 1.00 0.06 H ATOM 181 2HG2 THR 13 -9.322 -18.841 18.448 1.00 0.06 H ATOM 182 3HG2 THR 13 -8.514 -18.544 20.012 1.00 0.06 H ATOM 183 N ALA 14 -12.734 -16.507 21.530 1.00 -0.42 N ATOM 184 H ALA 14 -11.973 -15.936 21.886 1.00 0.27 H ATOM 185 CA ALA 14 -14.031 -16.428 22.209 1.00 0.03 C ATOM 186 HA ALA 14 -14.500 -17.412 22.178 1.00 0.08 H ATOM 187 C ALA 14 -14.993 -15.434 21.549 1.00 0.60 C ATOM 188 O ALA 14 -16.149 -15.310 21.953 1.00 -0.57 O ATOM 189 CB ALA 14 -13.815 -16.052 23.677 1.00 -0.18 C ATOM 190 1HB ALA 14 -14.767 -16.093 24.208 1.00 0.06 H ATOM 191 2HB ALA 14 -13.122 -16.755 24.147 1.00 0.06 H ATOM 192 3HB ALA 14 -13.414 -15.041 23.747 1.00 0.06 H ATOM 193 N ALA 15 -14.499 -14.710 20.556 1.00 -0.42 N ATOM 194 H ALA 15 -13.555 -14.876 20.230 1.00 0.27 H ATOM 195 CA ALA 15 -15.269 -13.717 19.819 1.00 0.03 C ATOM 196 HA ALA 15 -16.309 -14.035 19.730 1.00 0.08 H ATOM 197 C ALA 15 -14.617 -13.710 18.448 1.00 0.60 C ATOM 198 O ALA 15 -15.085 -13.024 17.519 1.00 -0.57 O ATOM 199 OXT ALA 15 -13.568 -14.374 18.329 1.00 -0.57 O ATOM 200 CB ALA 15 -15.187 -12.337 20.503 1.00 -0.18 C ATOM 201 1HB ALA 15 -15.640 -12.399 21.494 1.00 0.06 H ATOM 202 2HB ALA 15 -14.152 -12.027 20.601 1.00 0.06 H ATOM 203 3HB ALA 15 -15.730 -11.604 19.907 1.00 0.06 H TER 204 ALA 15 END