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\KVHGSLARAGK.pdb REMARK YASARA Written on: Wed May 14 15:08:31 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 169 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 11 LYS VAL HIS GLY SER LEU ALA ARG ALA GLY LYS ATOM 1 N LYS 1 -11.595 -6.800 17.902 1.00 -0.35 N ATOM 2 1H LYS 1 -11.923 -7.715 18.179 1.00 -0.35 H ATOM 3 2H LYS 1 -10.982 -6.442 18.623 1.00 -0.35 H ATOM 4 3H LYS 1 -12.376 -6.169 17.793 1.00 0.28 H ATOM 5 CA LYS 1 -10.846 -6.905 16.620 1.00 -0.24 C ATOM 6 HA LYS 1 -10.016 -7.588 16.776 1.00 0.14 H ATOM 7 C LYS 1 -10.263 -5.560 16.243 1.00 0.73 C ATOM 8 O LYS 1 -10.607 -4.584 16.895 1.00 -0.59 O ATOM 9 CB LYS 1 -11.751 -7.460 15.506 1.00 -0.01 C ATOM 10 1HB LYS 1 -11.138 -7.615 14.619 1.00 0.04 H ATOM 11 2HB LYS 1 -12.126 -8.433 15.825 1.00 0.04 H ATOM 12 CG LYS 1 -12.956 -6.587 15.109 1.00 0.02 C ATOM 13 1HG LYS 1 -13.617 -6.461 15.966 1.00 0.01 H ATOM 14 2HG LYS 1 -12.601 -5.609 14.786 1.00 0.01 H ATOM 15 CD LYS 1 -13.729 -7.236 13.955 1.00 -0.05 C ATOM 16 1HD LYS 1 -13.022 -7.457 13.152 1.00 0.06 H ATOM 17 2HD LYS 1 -14.163 -8.178 14.295 1.00 0.06 H ATOM 18 CE LYS 1 -14.841 -6.346 13.376 1.00 -0.01 C ATOM 19 1HE LYS 1 -14.406 -5.385 13.090 1.00 0.11 H ATOM 20 2HE LYS 1 -15.212 -6.823 12.464 1.00 0.11 H ATOM 21 NZ LYS 1 -16.015 -6.107 14.294 1.00 -0.38 N ATOM 22 1HZ LYS 1 -16.707 -5.535 13.824 1.00 0.17 H ATOM 23 2HZ LYS 1 -16.443 -6.989 14.545 1.00 0.17 H ATOM 24 3HZ LYS 1 -15.713 -5.631 15.132 1.00 0.17 H ATOM 25 N VAL 2 -9.414 -5.533 15.217 1.00 -0.42 N ATOM 26 H VAL 2 -9.145 -6.413 14.802 1.00 0.27 H ATOM 27 CA VAL 2 -8.780 -4.341 14.611 1.00 -0.09 C ATOM 28 HA VAL 2 -8.000 -4.753 13.972 1.00 0.10 H ATOM 29 C VAL 2 -8.018 -3.353 15.510 1.00 0.60 C ATOM 30 O VAL 2 -7.574 -2.311 15.043 1.00 -0.57 O ATOM 31 CB VAL 2 -9.720 -3.582 13.605 1.00 0.30 C ATOM 32 HB VAL 2 -9.112 -2.861 13.061 1.00 -0.03 H ATOM 33 CG1 VAL 2 -10.298 -4.562 12.569 1.00 -0.32 C ATOM 34 1HG1 VAL 2 -10.974 -5.273 13.033 1.00 0.08 H ATOM 35 2HG1 VAL 2 -10.839 -4.000 11.806 1.00 0.08 H ATOM 36 3HG1 VAL 2 -9.484 -5.097 12.074 1.00 0.08 H ATOM 37 CG2 VAL 2 -10.861 -2.805 14.284 1.00 -0.32 C ATOM 38 1HG2 VAL 2 -10.450 -2.126 15.030 1.00 0.08 H ATOM 39 2HG2 VAL 2 -11.388 -2.212 13.535 1.00 0.08 H ATOM 40 3HG2 VAL 2 -11.563 -3.483 14.761 1.00 0.08 H ATOM 41 N HIS 3 -7.795 -3.701 16.769 1.00 -0.35 N ATOM 42 H HIS 3 -8.062 -4.637 17.056 1.00 0.28 H ATOM 43 CA HIS 3 -7.081 -2.856 17.734 1.00 -0.14 C ATOM 44 HA HIS 3 -6.431 -2.160 17.204 1.00 0.12 H ATOM 45 C HIS 3 -6.188 -3.745 18.600 1.00 0.73 C ATOM 46 O HIS 3 -4.968 -3.696 18.471 1.00 -0.59 O ATOM 47 CB HIS 3 -8.051 -2.062 18.633 1.00 -0.04 C ATOM 48 1HB HIS 3 -8.831 -2.731 18.995 1.00 0.08 H ATOM 49 2HB HIS 3 -7.491 -1.689 19.492 1.00 0.08 H ATOM 50 CG HIS 3 -8.697 -0.882 17.967 1.00 -0.00 C ATOM 51 ND1 HIS 3 -9.824 -0.241 18.475 1.00 -0.15 N ATOM 52 HD1 HIS 3 -10.312 -0.499 19.325 1.00 0.14 H ATOM 53 CD2 HIS 3 -8.380 -0.179 16.848 1.00 -0.11 C ATOM 54 HD2 HIS 3 -7.551 -0.396 16.182 1.00 0.23 H ATOM 55 CE1 HIS 3 -10.150 0.770 17.680 1.00 -0.02 C ATOM 56 HE1 HIS 3 -10.985 1.449 17.829 1.00 0.27 H ATOM 57 NE2 HIS 3 -9.292 0.825 16.689 1.00 -0.17 N ATOM 58 HE2 HIS 3 -9.299 1.500 15.929 1.00 0.14 H ATOM 59 N GLY 4 -6.809 -4.549 19.455 1.00 -0.42 N ATOM 60 H GLY 4 -7.811 -4.548 19.499 1.00 0.27 H ATOM 61 CA GLY 4 -6.097 -5.436 20.367 1.00 -0.03 C ATOM 62 1HA GLY 4 -5.194 -5.814 19.884 1.00 0.07 H ATOM 63 2HA GLY 4 -5.810 -4.877 21.258 1.00 0.07 H ATOM 64 C GLY 4 -6.952 -6.616 20.797 1.00 0.60 C ATOM 65 O GLY 4 -6.976 -6.978 21.963 1.00 -0.57 O ATOM 66 N SER 5 -7.738 -7.157 19.877 1.00 -0.42 N ATOM 67 H SER 5 -7.625 -6.857 18.908 1.00 0.27 H ATOM 68 CA SER 5 -8.686 -8.238 20.167 1.00 -0.03 C ATOM 69 HA SER 5 -8.230 -8.898 20.907 1.00 0.08 H ATOM 70 C SER 5 -8.971 -9.087 18.917 1.00 0.60 C ATOM 71 O SER 5 -10.116 -9.404 18.587 1.00 -0.57 O ATOM 72 CB SER 5 -9.957 -7.651 20.789 1.00 0.21 C ATOM 73 1HB SER 5 -10.820 -8.278 20.565 1.00 0.04 H ATOM 74 2HB SER 5 -9.827 -7.622 21.872 1.00 0.04 H ATOM 75 OG SER 5 -10.171 -6.321 20.332 1.00 -0.65 O ATOM 76 HG SER 5 -9.945 -5.739 21.068 1.00 0.43 H ATOM 77 N LEU 6 -7.910 -9.364 18.174 1.00 -0.42 N ATOM 78 H LEU 6 -7.019 -8.910 18.421 1.00 0.27 H ATOM 79 CA LEU 6 -7.859 -10.264 17.017 1.00 -0.05 C ATOM 80 HA LEU 6 -8.446 -11.157 17.226 1.00 0.09 H ATOM 81 C LEU 6 -6.379 -10.631 16.885 1.00 0.60 C ATOM 82 O LEU 6 -5.668 -10.171 15.989 1.00 -0.57 O ATOM 83 CB LEU 6 -8.368 -9.602 15.725 1.00 -0.11 C ATOM 84 1HB LEU 6 -9.385 -9.283 15.912 1.00 0.05 H ATOM 85 2HB LEU 6 -7.765 -8.712 15.545 1.00 0.05 H ATOM 86 CG LEU 6 -8.397 -10.424 14.423 1.00 0.35 C ATOM 87 HG LEU 6 -7.393 -10.781 14.207 1.00 -0.04 H ATOM 88 CD1 LEU 6 -9.321 -11.637 14.519 1.00 -0.41 C ATOM 89 1HD1 LEU 6 -9.340 -12.160 13.561 1.00 0.10 H ATOM 90 2HD1 LEU 6 -8.960 -12.327 15.279 1.00 0.10 H ATOM 91 3HD1 LEU 6 -10.335 -11.325 14.772 1.00 0.10 H ATOM 92 CD2 LEU 6 -8.840 -9.532 13.266 1.00 -0.41 C ATOM 93 1HD2 LEU 6 -8.174 -8.671 13.185 1.00 0.10 H ATOM 94 2HD2 LEU 6 -8.775 -10.092 12.332 1.00 0.10 H ATOM 95 3HD2 LEU 6 -9.866 -9.198 13.407 1.00 0.10 H ATOM 96 N ALA 7 -5.905 -11.455 17.809 1.00 -0.42 N ATOM 97 H ALA 7 -6.525 -11.811 18.519 1.00 0.27 H ATOM 98 CA ALA 7 -4.490 -11.829 17.877 1.00 0.03 C ATOM 99 HA ALA 7 -3.909 -10.918 18.038 1.00 0.08 H ATOM 100 C ALA 7 -3.952 -12.479 16.594 1.00 0.60 C ATOM 101 O ALA 7 -2.772 -12.373 16.293 1.00 -0.57 O ATOM 102 CB ALA 7 -4.271 -12.752 19.082 1.00 -0.18 C ATOM 103 1HB ALA 7 -4.838 -13.675 18.963 1.00 0.06 H ATOM 104 2HB ALA 7 -3.209 -12.993 19.161 1.00 0.06 H ATOM 105 3HB ALA 7 -4.580 -12.245 19.999 1.00 0.06 H ATOM 106 N ARG 8 -4.832 -13.075 15.797 1.00 -0.35 N ATOM 107 H ARG 8 -5.791 -13.108 16.091 1.00 0.28 H ATOM 108 CA ARG 8 -4.466 -13.642 14.491 1.00 -0.26 C ATOM 109 HA ARG 8 -3.692 -14.396 14.641 1.00 0.16 H ATOM 110 C ARG 8 -3.882 -12.595 13.534 1.00 0.73 C ATOM 111 O ARG 8 -3.097 -12.931 12.662 1.00 -0.59 O ATOM 112 CB ARG 8 -5.705 -14.297 13.860 1.00 -0.00 C ATOM 113 1HB ARG 8 -6.160 -14.948 14.607 1.00 0.03 H ATOM 114 2HB ARG 8 -6.420 -13.512 13.612 1.00 0.03 H ATOM 115 CG ARG 8 -5.433 -15.121 12.593 1.00 0.04 C ATOM 116 1HG ARG 8 -4.996 -14.468 11.839 1.00 0.03 H ATOM 117 2HG ARG 8 -4.724 -15.920 12.816 1.00 0.03 H ATOM 118 CD ARG 8 -6.707 -15.724 12.008 1.00 0.05 C ATOM 119 1HD ARG 8 -7.451 -14.935 11.886 1.00 0.07 H ATOM 120 2HD ARG 8 -6.469 -16.133 11.025 1.00 0.07 H ATOM 121 NE ARG 8 -7.256 -16.807 12.841 1.00 -0.53 N ATOM 122 HE ARG 8 -6.726 -17.050 13.662 1.00 0.35 H ATOM 123 CZ ARG 8 -8.362 -17.501 12.599 1.00 0.81 C ATOM 124 NH1 ARG 8 -8.713 -18.435 13.440 1.00 -0.86 N ATOM 125 1HH1 ARG 8 -8.150 -18.631 14.251 1.00 0.32 H ATOM 126 2HH1 ARG 8 -9.549 -18.974 13.276 1.00 0.32 H ATOM 127 NH2 ARG 8 -9.123 -17.311 11.550 1.00 -0.86 N ATOM 128 1HH2 ARG 8 -8.870 -16.613 10.869 1.00 0.32 H ATOM 129 2HH2 ARG 8 -9.955 -17.862 11.414 1.00 0.32 H ATOM 130 N ALA 9 -4.258 -11.338 13.715 1.00 -0.42 N ATOM 131 H ALA 9 -4.893 -11.109 14.470 1.00 0.27 H ATOM 132 CA ALA 9 -3.771 -10.240 12.885 1.00 0.03 C ATOM 133 HA ALA 9 -3.158 -10.634 12.073 1.00 0.08 H ATOM 134 C ALA 9 -2.902 -9.285 13.714 1.00 0.60 C ATOM 135 O ALA 9 -2.608 -8.176 13.284 1.00 -0.57 O ATOM 136 CB ALA 9 -4.971 -9.497 12.278 1.00 -0.18 C ATOM 137 1HB ALA 9 -5.575 -10.190 11.693 1.00 0.06 H ATOM 138 2HB ALA 9 -5.574 -9.057 13.072 1.00 0.06 H ATOM 139 3HB ALA 9 -4.609 -8.702 11.623 1.00 0.06 H ATOM 140 N GLY 10 -2.570 -9.685 14.936 1.00 -0.42 N ATOM 141 H GLY 10 -2.805 -10.620 15.249 1.00 0.27 H ATOM 142 CA GLY 10 -1.849 -8.807 15.849 1.00 -0.03 C ATOM 143 1HA GLY 10 -1.584 -9.368 16.745 1.00 0.07 H ATOM 144 2HA GLY 10 -0.931 -8.476 15.362 1.00 0.07 H ATOM 145 C GLY 10 -2.636 -7.572 16.250 1.00 0.60 C ATOM 146 O GLY 10 -2.051 -6.545 16.599 1.00 -0.57 O ATOM 147 N LYS 11 -3.956 -7.636 16.137 1.00 -0.35 N ATOM 148 H LYS 11 -4.384 -8.530 15.923 1.00 0.28 H ATOM 149 CA LYS 11 -4.850 -6.487 16.321 1.00 -0.24 C ATOM 150 HA LYS 11 -4.341 -5.708 16.876 1.00 0.14 H ATOM 151 C LYS 11 -6.008 -6.949 17.174 1.00 0.73 C ATOM 152 O LYS 11 -7.187 -6.506 17.071 1.00 -0.59 O ATOM 153 OXT LYS 11 -5.680 -7.792 18.017 1.00 -0.59 O ATOM 154 CB LYS 11 -5.297 -5.958 14.955 1.00 -0.01 C ATOM 155 1HB LYS 11 -5.530 -6.811 14.318 1.00 0.04 H ATOM 156 2HB LYS 11 -6.200 -5.376 15.079 1.00 0.04 H ATOM 157 CG LYS 11 -4.269 -5.075 14.246 1.00 0.02 C ATOM 158 1HG LYS 11 -3.278 -5.519 14.332 1.00 0.01 H ATOM 159 2HG LYS 11 -4.531 -5.030 13.188 1.00 0.01 H ATOM 160 CD LYS 11 -4.251 -3.638 14.791 1.00 -0.05 C ATOM 161 1HD LYS 11 -4.519 -2.970 13.972 1.00 0.06 H ATOM 162 2HD LYS 11 -5.003 -3.530 15.570 1.00 0.06 H ATOM 163 CE LYS 11 -2.896 -3.192 15.349 1.00 -0.01 C ATOM 164 1HE LYS 11 -2.114 -3.463 14.636 1.00 0.11 H ATOM 165 2HE LYS 11 -2.909 -2.105 15.445 1.00 0.11 H ATOM 166 NZ LYS 11 -2.570 -3.782 16.693 1.00 -0.38 N ATOM 167 1HZ LYS 11 -3.327 -3.611 17.349 1.00 0.17 H ATOM 168 2HZ LYS 11 -2.447 -4.789 16.606 1.00 0.17 H ATOM 169 3HZ LYS 11 -1.716 -3.388 17.056 1.00 0.17 H TER 170 LYS 11 END