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\FFPIVGKLLSGLSGLL.pdb REMARK YASARA Written on: Wed May 14 19:38:40 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 252 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 16 PHE PHE PRO ILE VAL GLY LYS LEU LEU SER GLY LEU SER SEQRES 2 16 GLY LEU LEU ATOM 1 N PHE 1 -17.226 -15.168 27.396 1.00 -0.42 N ATOM 2 1H PHE 1 -17.805 -14.594 27.992 1.00 -0.42 H ATOM 3 2H PHE 1 -16.281 -15.177 27.754 1.00 -0.42 H ATOM 4 3H PHE 1 -17.227 -14.789 26.460 1.00 0.27 H ATOM 5 CA PHE 1 -17.759 -16.559 27.374 1.00 -0.00 C ATOM 6 HA PHE 1 -17.748 -16.923 28.401 1.00 0.10 H ATOM 7 C PHE 1 -16.813 -17.472 26.612 1.00 0.60 C ATOM 8 O PHE 1 -16.059 -18.178 27.258 1.00 -0.57 O ATOM 9 CB PHE 1 -19.222 -16.632 26.896 1.00 -0.03 C ATOM 10 1HB PHE 1 -19.470 -17.668 26.665 1.00 0.03 H ATOM 11 2HB PHE 1 -19.859 -16.312 27.720 1.00 0.03 H ATOM 12 CG PHE 1 -19.547 -15.761 25.704 1.00 0.01 C ATOM 13 CD1 PHE 1 -19.840 -14.391 25.876 1.00 -0.13 C ATOM 14 HD1 PHE 1 -19.839 -13.953 26.864 1.00 0.13 H ATOM 15 CD2 PHE 1 -19.632 -16.316 24.413 1.00 -0.13 C ATOM 16 HD2 PHE 1 -19.467 -17.375 24.263 1.00 0.13 H ATOM 17 CE1 PHE 1 -20.164 -13.573 24.768 1.00 -0.17 C ATOM 18 HE1 PHE 1 -20.382 -12.523 24.911 1.00 0.14 H ATOM 19 CE2 PHE 1 -19.967 -15.508 23.298 1.00 -0.17 C ATOM 20 HE2 PHE 1 -20.041 -15.942 22.312 1.00 0.14 H ATOM 21 CZ PHE 1 -20.225 -14.133 23.477 1.00 -0.11 C ATOM 22 HZ PHE 1 -20.481 -13.513 22.628 1.00 0.13 H ATOM 23 N PHE 2 -16.754 -17.446 25.285 1.00 -0.42 N ATOM 24 H PHE 2 -17.399 -16.897 24.735 1.00 0.27 H ATOM 25 CA PHE 2 -15.714 -18.209 24.591 1.00 -0.00 C ATOM 26 HA PHE 2 -15.732 -19.243 24.939 1.00 0.10 H ATOM 27 C PHE 2 -14.364 -17.575 24.932 1.00 0.60 C ATOM 28 O PHE 2 -14.317 -16.362 25.190 1.00 -0.57 O ATOM 29 CB PHE 2 -15.929 -18.172 23.075 1.00 -0.03 C ATOM 30 1HB PHE 2 -15.835 -17.144 22.737 1.00 0.03 H ATOM 31 2HB PHE 2 -15.150 -18.761 22.592 1.00 0.03 H ATOM 32 CG PHE 2 -17.268 -18.693 22.636 1.00 0.01 C ATOM 33 CD1 PHE 2 -17.762 -19.924 23.113 1.00 -0.13 C ATOM 34 HD1 PHE 2 -17.172 -20.527 23.788 1.00 0.13 H ATOM 35 CD2 PHE 2 -18.043 -17.954 21.723 1.00 -0.13 C ATOM 36 HD2 PHE 2 -17.668 -17.022 21.324 1.00 0.13 H ATOM 37 CE1 PHE 2 -19.037 -20.396 22.713 1.00 -0.17 C ATOM 38 HE1 PHE 2 -19.410 -21.338 23.090 1.00 0.14 H ATOM 39 CE2 PHE 2 -19.313 -18.421 21.305 1.00 -0.17 C ATOM 40 HE2 PHE 2 -19.897 -17.850 20.596 1.00 0.14 H ATOM 41 CZ PHE 2 -19.813 -19.641 21.807 1.00 -0.11 C ATOM 42 HZ PHE 2 -20.783 -20.002 21.492 1.00 0.13 H ATOM 43 N PRO 3 -13.255 -18.338 24.899 1.00 -0.25 N ATOM 44 CA PRO 3 -12.002 -17.666 25.274 1.00 -0.03 C ATOM 45 HA PRO 3 -12.111 -17.189 26.248 1.00 0.06 H ATOM 46 C PRO 3 -11.532 -16.613 24.271 1.00 0.59 C ATOM 47 O PRO 3 -10.836 -15.670 24.640 1.00 -0.57 O ATOM 48 CB PRO 3 -11.013 -18.829 25.383 1.00 -0.01 C ATOM 49 1HB PRO 3 -10.001 -18.509 25.134 1.00 0.03 H ATOM 50 2HB PRO 3 -11.043 -19.251 26.388 1.00 0.03 H ATOM 51 CG PRO 3 -11.522 -19.829 24.408 1.00 0.02 C ATOM 52 1HG PRO 3 -11.250 -19.537 23.393 1.00 0.02 H ATOM 53 2HG PRO 3 -11.143 -20.825 24.635 1.00 0.02 H ATOM 54 CD PRO 3 -13.020 -19.764 24.596 1.00 0.02 C ATOM 55 1HD PRO 3 -13.532 -20.069 23.683 1.00 0.04 H ATOM 56 2HD PRO 3 -13.326 -20.385 25.440 1.00 0.04 H ATOM 57 N ILE 4 -11.970 -16.703 23.021 1.00 -0.42 N ATOM 58 H ILE 4 -12.500 -17.506 22.726 1.00 0.27 H ATOM 59 CA ILE 4 -11.680 -15.655 22.043 1.00 -0.06 C ATOM 60 HA ILE 4 -10.611 -15.447 22.081 1.00 0.09 H ATOM 61 C ILE 4 -12.394 -14.347 22.393 1.00 0.60 C ATOM 62 O ILE 4 -11.890 -13.275 22.104 1.00 -0.57 O ATOM 63 CB ILE 4 -12.014 -16.116 20.590 1.00 0.13 C ATOM 64 HB ILE 4 -11.714 -15.319 19.909 1.00 0.02 H ATOM 65 CG1 ILE 4 -13.526 -16.374 20.405 1.00 -0.04 C ATOM 66 1HG1 ILE 4 -13.817 -17.223 21.023 1.00 0.02 H ATOM 67 2HG1 ILE 4 -14.076 -15.501 20.746 1.00 0.02 H ATOM 68 CG2 ILE 4 -11.184 -17.382 20.249 1.00 -0.32 C ATOM 69 1HG2 ILE 4 -10.132 -17.212 20.482 1.00 0.09 H ATOM 70 2HG2 ILE 4 -11.541 -18.252 20.800 1.00 0.09 H ATOM 71 3HG2 ILE 4 -11.257 -17.591 19.180 1.00 0.09 H ATOM 72 CD1 ILE 4 -13.978 -16.653 18.969 1.00 -0.07 C ATOM 73 1HD1 ILE 4 -13.555 -17.593 18.612 1.00 0.02 H ATOM 74 2HD1 ILE 4 -15.066 -16.726 18.939 1.00 0.02 H ATOM 75 3HD1 ILE 4 -13.661 -15.840 18.314 1.00 0.02 H ATOM 76 N VAL 5 -13.516 -14.417 23.098 1.00 -0.42 N ATOM 77 H VAL 5 -13.881 -15.316 23.373 1.00 0.27 H ATOM 78 CA VAL 5 -14.234 -13.213 23.514 1.00 -0.09 C ATOM 79 HA VAL 5 -14.217 -12.486 22.704 1.00 0.10 H ATOM 80 C VAL 5 -13.472 -12.627 24.692 1.00 0.60 C ATOM 81 O VAL 5 -13.307 -11.422 24.798 1.00 -0.57 O ATOM 82 CB VAL 5 -15.717 -13.515 23.874 1.00 0.30 C ATOM 83 HB VAL 5 -15.746 -14.247 24.680 1.00 -0.03 H ATOM 84 CG1 VAL 5 -16.458 -12.256 24.343 1.00 -0.32 C ATOM 85 1HG1 VAL 5 -16.003 -11.864 25.254 1.00 0.08 H ATOM 86 2HG1 VAL 5 -16.405 -11.483 23.571 1.00 0.08 H ATOM 87 3HG1 VAL 5 -17.505 -12.483 24.540 1.00 0.08 H ATOM 88 CG2 VAL 5 -16.443 -14.103 22.656 1.00 -0.32 C ATOM 89 1HG2 VAL 5 -16.433 -13.383 21.833 1.00 0.08 H ATOM 90 2HG2 VAL 5 -15.962 -15.017 22.322 1.00 0.08 H ATOM 91 3HG2 VAL 5 -17.477 -14.324 22.910 1.00 0.08 H ATOM 92 N GLY 6 -12.907 -13.482 25.533 1.00 -0.42 N ATOM 93 H GLY 6 -13.041 -14.477 25.416 1.00 0.27 H ATOM 94 CA GLY 6 -12.057 -12.988 26.604 1.00 -0.03 C ATOM 95 1HA GLY 6 -12.618 -12.278 27.212 1.00 0.07 H ATOM 96 2HA GLY 6 -11.734 -13.820 27.230 1.00 0.07 H ATOM 97 C GLY 6 -10.834 -12.284 26.047 1.00 0.60 C ATOM 98 O GLY 6 -10.408 -11.257 26.559 1.00 -0.57 O ATOM 99 N LYS 7 -10.274 -12.795 24.960 1.00 -0.35 N ATOM 100 H LYS 7 -10.644 -13.654 24.564 1.00 0.28 H ATOM 101 CA LYS 7 -9.100 -12.168 24.347 1.00 -0.24 C ATOM 102 HA LYS 7 -8.470 -11.828 25.163 1.00 0.14 H ATOM 103 C LYS 7 -9.424 -10.929 23.503 1.00 0.73 C ATOM 104 O LYS 7 -8.581 -10.045 23.356 1.00 -0.59 O ATOM 105 CB LYS 7 -8.325 -13.228 23.556 1.00 -0.01 C ATOM 106 1HB LYS 7 -8.392 -14.167 24.102 1.00 0.04 H ATOM 107 2HB LYS 7 -8.819 -13.374 22.596 1.00 0.04 H ATOM 108 CG LYS 7 -6.833 -12.917 23.314 1.00 0.02 C ATOM 109 1HG LYS 7 -6.416 -13.709 22.693 1.00 0.01 H ATOM 110 2HG LYS 7 -6.764 -11.985 22.755 1.00 0.01 H ATOM 111 CD LYS 7 -5.969 -12.774 24.588 1.00 -0.05 C ATOM 112 1HD LYS 7 -4.964 -12.480 24.291 1.00 0.06 H ATOM 113 2HD LYS 7 -6.370 -11.971 25.202 1.00 0.06 H ATOM 114 CE LYS 7 -5.869 -14.038 25.451 1.00 -0.01 C ATOM 115 1HE LYS 7 -5.337 -13.784 26.371 1.00 0.11 H ATOM 116 2HE LYS 7 -6.874 -14.364 25.727 1.00 0.11 H ATOM 117 NZ LYS 7 -5.144 -15.165 24.765 1.00 -0.38 N ATOM 118 1HZ LYS 7 -4.201 -14.878 24.536 1.00 0.17 H ATOM 119 2HZ LYS 7 -5.103 -15.970 25.377 1.00 0.17 H ATOM 120 3HZ LYS 7 -5.628 -15.419 23.915 1.00 0.17 H ATOM 121 N LEU 8 -10.656 -10.819 23.026 1.00 -0.42 N ATOM 122 H LEU 8 -11.271 -11.625 23.041 1.00 0.27 H ATOM 123 CA LEU 8 -11.171 -9.561 22.473 1.00 -0.05 C ATOM 124 HA LEU 8 -10.477 -9.180 21.726 1.00 0.09 H ATOM 125 C LEU 8 -11.304 -8.505 23.563 1.00 0.60 C ATOM 126 O LEU 8 -10.912 -7.364 23.365 1.00 -0.57 O ATOM 127 CB LEU 8 -12.547 -9.774 21.830 1.00 -0.11 C ATOM 128 1HB LEU 8 -13.101 -10.470 22.452 1.00 0.05 H ATOM 129 2HB LEU 8 -13.081 -8.824 21.850 1.00 0.05 H ATOM 130 CG LEU 8 -12.581 -10.289 20.385 1.00 0.35 C ATOM 131 HG LEU 8 -11.872 -11.109 20.287 1.00 -0.04 H ATOM 132 CD1 LEU 8 -13.970 -10.818 20.034 1.00 -0.41 C ATOM 133 1HD1 LEU 8 -14.719 -10.036 20.168 1.00 0.10 H ATOM 134 2HD1 LEU 8 -13.980 -11.151 18.995 1.00 0.10 H ATOM 135 3HD1 LEU 8 -14.209 -11.668 20.669 1.00 0.10 H ATOM 136 CD2 LEU 8 -12.201 -9.182 19.404 1.00 -0.41 C ATOM 137 1HD2 LEU 8 -12.152 -9.587 18.391 1.00 0.10 H ATOM 138 2HD2 LEU 8 -12.934 -8.376 19.432 1.00 0.10 H ATOM 139 3HD2 LEU 8 -11.222 -8.776 19.649 1.00 0.10 H ATOM 140 N LEU 9 -11.802 -8.888 24.730 1.00 -0.42 N ATOM 141 H LEU 9 -12.146 -9.837 24.841 1.00 0.27 H ATOM 142 CA LEU 9 -11.904 -7.964 25.866 1.00 -0.05 C ATOM 143 HA LEU 9 -12.377 -7.040 25.534 1.00 0.09 H ATOM 144 C LEU 9 -10.524 -7.598 26.407 1.00 0.60 C ATOM 145 O LEU 9 -10.320 -6.517 26.941 1.00 -0.57 O ATOM 146 CB LEU 9 -12.749 -8.582 26.987 1.00 -0.11 C ATOM 147 1HB LEU 9 -12.316 -9.550 27.234 1.00 0.05 H ATOM 148 2HB LEU 9 -12.655 -7.946 27.867 1.00 0.05 H ATOM 149 CG LEU 9 -14.249 -8.780 26.710 1.00 0.35 C ATOM 150 HG LEU 9 -14.368 -9.310 25.770 1.00 -0.04 H ATOM 151 CD1 LEU 9 -14.870 -9.634 27.816 1.00 -0.41 C ATOM 152 1HD1 LEU 9 -14.761 -9.133 28.780 1.00 0.10 H ATOM 153 2HD1 LEU 9 -15.928 -9.787 27.607 1.00 0.10 H ATOM 154 3HD1 LEU 9 -14.370 -10.601 27.853 1.00 0.10 H ATOM 155 CD2 LEU 9 -15.001 -7.452 26.604 1.00 -0.41 C ATOM 156 1HD2 LEU 9 -14.614 -6.873 25.766 1.00 0.10 H ATOM 157 2HD2 LEU 9 -16.060 -7.639 26.433 1.00 0.10 H ATOM 158 3HD2 LEU 9 -14.879 -6.875 27.522 1.00 0.10 H ATOM 159 N SER 10 -9.554 -8.471 26.183 1.00 -0.42 N ATOM 160 H SER 10 -9.793 -9.362 25.774 1.00 0.27 H ATOM 161 CA SER 10 -8.151 -8.185 26.493 1.00 -0.03 C ATOM 162 HA SER 10 -8.093 -7.684 27.460 1.00 0.08 H ATOM 163 C SER 10 -7.493 -7.291 25.441 1.00 0.60 C ATOM 164 O SER 10 -6.284 -7.076 25.476 1.00 -0.57 O ATOM 165 CB SER 10 -7.342 -9.481 26.558 1.00 0.21 C ATOM 166 1HB SER 10 -7.303 -9.915 25.561 1.00 0.04 H ATOM 167 2HB SER 10 -6.324 -9.252 26.877 1.00 0.04 H ATOM 168 OG SER 10 -7.909 -10.427 27.450 1.00 -0.65 O ATOM 169 HG SER 10 -8.862 -10.490 27.285 1.00 0.43 H ATOM 170 N GLY 11 -8.252 -6.846 24.448 1.00 -0.42 N ATOM 171 H GLY 11 -9.234 -7.097 24.413 1.00 0.27 H ATOM 172 CA GLY 11 -7.751 -5.972 23.398 1.00 -0.03 C ATOM 173 1HA GLY 11 -8.594 -5.432 22.967 1.00 0.07 H ATOM 174 2HA GLY 11 -7.077 -5.243 23.848 1.00 0.07 H ATOM 175 C GLY 11 -7.003 -6.660 22.275 1.00 0.60 C ATOM 176 O GLY 11 -7.138 -6.291 21.118 1.00 -0.57 O ATOM 177 N LEU 12 -6.217 -7.675 22.603 1.00 -0.42 N ATOM 178 H LEU 12 -6.191 -7.958 23.573 1.00 0.27 H ATOM 179 CA LEU 12 -5.318 -8.319 21.644 1.00 -0.05 C ATOM 180 HA LEU 12 -4.619 -7.560 21.294 1.00 0.09 H ATOM 181 C LEU 12 -5.991 -8.895 20.400 1.00 0.60 C ATOM 182 O LEU 12 -5.449 -8.791 19.308 1.00 -0.57 O ATOM 183 CB LEU 12 -4.526 -9.419 22.361 1.00 -0.11 C ATOM 184 1HB LEU 12 -4.089 -8.983 23.259 1.00 0.05 H ATOM 185 2HB LEU 12 -5.233 -10.185 22.673 1.00 0.05 H ATOM 186 CG LEU 12 -3.399 -10.110 21.570 1.00 0.35 C ATOM 187 HG LEU 12 -3.826 -10.566 20.679 1.00 -0.04 H ATOM 188 CD1 LEU 12 -2.301 -9.143 21.135 1.00 -0.41 C ATOM 189 1HD1 LEU 12 -2.707 -8.427 20.418 1.00 0.10 H ATOM 190 2HD1 LEU 12 -1.897 -8.606 21.994 1.00 0.10 H ATOM 191 3HD1 LEU 12 -1.497 -9.688 20.639 1.00 0.10 H ATOM 192 CD2 LEU 12 -2.783 -11.225 22.413 1.00 -0.41 C ATOM 193 1HD2 LEU 12 -3.537 -11.975 22.631 1.00 0.10 H ATOM 194 2HD2 LEU 12 -1.975 -11.700 21.853 1.00 0.10 H ATOM 195 3HD2 LEU 12 -2.380 -10.817 23.342 1.00 0.10 H ATOM 196 N SER 13 -7.178 -9.467 20.530 1.00 -0.42 N ATOM 197 H SER 13 -7.626 -9.512 21.439 1.00 0.27 H ATOM 198 CA SER 13 -7.862 -10.027 19.359 1.00 -0.03 C ATOM 199 HA SER 13 -7.111 -10.457 18.697 1.00 0.08 H ATOM 200 C SER 13 -8.629 -8.998 18.529 1.00 0.60 C ATOM 201 O SER 13 -9.336 -9.372 17.604 1.00 -0.57 O ATOM 202 CB SER 13 -8.801 -11.155 19.774 1.00 0.21 C ATOM 203 1HB SER 13 -9.541 -10.772 20.471 1.00 0.04 H ATOM 204 2HB SER 13 -9.309 -11.551 18.894 1.00 0.04 H ATOM 205 OG SER 13 -8.055 -12.191 20.387 1.00 -0.65 O ATOM 206 HG SER 13 -7.471 -12.560 19.718 1.00 0.43 H ATOM 207 N GLY 14 -8.497 -7.722 18.863 1.00 -0.42 N ATOM 208 H GLY 14 -7.945 -7.454 19.673 1.00 0.27 H ATOM 209 CA GLY 14 -9.080 -6.651 18.067 1.00 -0.03 C ATOM 210 1HA GLY 14 -9.323 -7.015 17.068 1.00 0.07 H ATOM 211 2HA GLY 14 -9.982 -6.280 18.549 1.00 0.07 H ATOM 212 C GLY 14 -8.082 -5.518 17.941 1.00 0.60 C ATOM 213 O GLY 14 -8.453 -4.353 17.832 1.00 -0.57 O ATOM 214 N LEU 15 -6.807 -5.866 18.054 1.00 -0.42 N ATOM 215 H LEU 15 -6.570 -6.842 18.149 1.00 0.27 H ATOM 216 CA LEU 15 -5.726 -4.882 18.062 1.00 -0.05 C ATOM 217 HA LEU 15 -6.049 -3.996 18.606 1.00 0.09 H ATOM 218 C LEU 15 -5.330 -4.470 16.648 1.00 0.60 C ATOM 219 O LEU 15 -4.906 -3.338 16.410 1.00 -0.57 O ATOM 220 CB LEU 15 -4.510 -5.498 18.767 1.00 -0.11 C ATOM 221 1HB LEU 15 -4.848 -5.877 19.728 1.00 0.05 H ATOM 222 2HB LEU 15 -4.183 -6.351 18.172 1.00 0.05 H ATOM 223 CG LEU 15 -3.280 -4.612 19.024 1.00 0.35 C ATOM 224 HG LEU 15 -2.909 -4.238 18.071 1.00 -0.04 H ATOM 225 CD1 LEU 15 -3.595 -3.415 19.924 1.00 -0.41 C ATOM 226 1HD1 LEU 15 -4.297 -2.755 19.413 1.00 0.10 H ATOM 227 2HD1 LEU 15 -4.036 -3.753 20.862 1.00 0.10 H ATOM 228 3HD1 LEU 15 -2.683 -2.854 20.127 1.00 0.10 H ATOM 229 CD2 LEU 15 -2.174 -5.451 19.666 1.00 -0.41 C ATOM 230 1HD2 LEU 15 -2.503 -5.829 20.634 1.00 0.10 H ATOM 231 2HD2 LEU 15 -1.929 -6.289 19.012 1.00 0.10 H ATOM 232 3HD2 LEU 15 -1.283 -4.839 19.798 1.00 0.10 H ATOM 233 N LEU 16 -5.452 -5.424 15.736 1.00 -0.42 N ATOM 234 H LEU 16 -5.897 -6.303 15.977 1.00 0.27 H ATOM 235 CA LEU 16 -5.072 -5.311 14.333 1.00 -0.05 C ATOM 236 HA LEU 16 -5.172 -4.290 13.969 1.00 0.09 H ATOM 237 C LEU 16 -6.106 -6.215 13.682 1.00 0.60 C ATOM 238 O LEU 16 -6.312 -6.185 12.454 1.00 -0.57 O ATOM 239 OXT LEU 16 -6.675 -6.994 14.487 1.00 -0.57 O ATOM 240 CB LEU 16 -3.664 -5.877 14.087 1.00 -0.11 C ATOM 241 1HB LEU 16 -3.664 -6.899 14.464 1.00 0.05 H ATOM 242 2HB LEU 16 -3.523 -5.930 13.008 1.00 0.05 H ATOM 243 CG LEU 16 -2.452 -5.156 14.690 1.00 0.35 C ATOM 244 HG LEU 16 -2.590 -5.069 15.766 1.00 -0.04 H ATOM 245 CD1 LEU 16 -1.196 -5.985 14.440 1.00 -0.41 C ATOM 246 1HD1 LEU 16 -0.338 -5.493 14.894 1.00 0.10 H ATOM 247 2HD1 LEU 16 -1.318 -6.969 14.893 1.00 0.10 H ATOM 248 3HD1 LEU 16 -1.030 -6.098 13.368 1.00 0.10 H ATOM 249 CD2 LEU 16 -2.269 -3.758 14.109 1.00 -0.41 C ATOM 250 1HD2 LEU 16 -3.139 -3.151 14.368 1.00 0.10 H ATOM 251 2HD2 LEU 16 -1.384 -3.292 14.537 1.00 0.10 H ATOM 252 3HD2 LEU 16 -2.178 -3.809 13.024 1.00 0.10 H TER 253 LEU 16 END