ATOM 1 N MET A 1 1.271 -0.233 -0.343 1.00 61.14 N ATOM 2 CA MET A 1 2.242 0.071 -1.386 1.00 54.30 C ATOM 3 C MET A 1 3.382 -0.942 -1.380 1.00 10.41 C ATOM 4 O MET A 1 4.266 -0.893 -0.524 1.00 3.43 O ATOM 5 CB MET A 1 2.799 1.484 -1.198 1.00 20.22 C ATOM 6 CG MET A 1 3.195 1.795 0.236 1.00 1.40 C ATOM 7 SD MET A 1 4.568 2.960 0.341 1.00 51.55 S ATOM 8 CE MET A 1 5.933 1.920 -0.171 1.00 35.22 C ATOM 9 H MET A 1 1.589 -0.467 0.554 1.00 74.14 H ATOM 10 HA MET A 1 1.734 0.018 -2.338 1.00 15.40 H ATOM 11 HB2 MET A 1 3.671 1.600 -1.823 1.00 4.54 H ATOM 12 HB3 MET A 1 2.049 2.198 -1.504 1.00 14.14 H ATOM 13 HG2 MET A 1 2.343 2.218 0.747 1.00 54.45 H ATOM 14 HG3 MET A 1 3.483 0.874 0.723 1.00 12.20 H ATOM 15 HE1 MET A 1 5.647 1.353 -1.045 1.00 22.11 H ATOM 16 HE2 MET A 1 6.787 2.537 -0.406 1.00 11.55 H ATOM 17 HE3 MET A 1 6.188 1.241 0.630 1.00 61.33 H ATOM 18 N CYS A 2 3.356 -1.861 -2.339 1.00 65.22 N ATOM 19 CA CYS A 2 4.386 -2.887 -2.444 1.00 20.05 C ATOM 20 C CYS A 2 5.746 -2.263 -2.742 1.00 4.54 C ATOM 21 O CYS A 2 6.775 -2.729 -2.251 1.00 4.35 O ATOM 22 CB CYS A 2 4.024 -3.893 -3.539 1.00 63.23 C ATOM 23 SG CYS A 2 5.023 -5.416 -3.510 1.00 13.21 S ATOM 24 H CYS A 2 2.624 -1.850 -2.994 1.00 75.25 H ATOM 25 HA CYS A 2 4.439 -3.403 -1.498 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.988 -4.178 -3.426 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.160 -3.429 -4.504 1.00 71.35 H ATOM 28 N MET A 3 5.743 -1.207 -3.548 1.00 45.01 N ATOM 29 CA MET A 3 6.977 -0.518 -3.909 1.00 52.23 C ATOM 30 C MET A 3 6.682 0.878 -4.449 1.00 23.10 C ATOM 31 O MET A 3 5.602 1.152 -4.973 1.00 20.11 O ATOM 32 CB MET A 3 7.752 -1.327 -4.951 1.00 74.12 C ATOM 33 CG MET A 3 7.195 -1.196 -6.359 1.00 63.41 C ATOM 34 SD MET A 3 8.143 -2.137 -7.572 1.00 2.44 S ATOM 35 CE MET A 3 9.786 -1.474 -7.305 1.00 45.55 C ATOM 36 H MET A 3 4.892 -0.881 -3.908 1.00 0.44 H ATOM 37 HA MET A 3 7.579 -0.427 -3.017 1.00 70.35 H ATOM 38 HB2 MET A 3 8.778 -0.992 -4.960 1.00 63.13 H ATOM 39 HB3 MET A 3 7.724 -2.371 -4.672 1.00 23.14 H ATOM 40 HG2 MET A 3 6.177 -1.553 -6.364 1.00 53.32 H ATOM 41 HG3 MET A 3 7.210 -0.154 -6.641 1.00 1.24 H ATOM 42 HE1 MET A 3 10.286 -1.360 -8.256 1.00 21.34 H ATOM 43 HE2 MET A 3 9.710 -0.513 -6.820 1.00 61.54 H ATOM 44 HE3 MET A 3 10.350 -2.152 -6.680 1.00 63.45 H ATOM 45 N PRO A 4 7.664 1.782 -4.320 1.00 22.41 N ATOM 46 CA PRO A 4 7.533 3.165 -4.790 1.00 23.31 C ATOM 47 C PRO A 4 7.511 3.261 -6.311 1.00 1.05 C ATOM 48 O PRO A 4 8.388 2.726 -6.990 1.00 42.21 O ATOM 49 CB PRO A 4 8.781 3.850 -4.229 1.00 25.11 C ATOM 50 CG PRO A 4 9.774 2.751 -4.061 1.00 51.45 C ATOM 51 CD PRO A 4 8.978 1.526 -3.707 1.00 11.41 C ATOM 52 HA PRO A 4 6.649 3.639 -4.387 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.132 4.596 -4.929 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.546 4.317 -3.283 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.309 2.597 -4.985 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.460 2.996 -3.264 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.436 0.643 -4.130 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.890 1.429 -2.635 1.00 72.12 H ATOM 59 N CYS A 5 6.504 3.947 -6.841 1.00 4.23 N ATOM 60 CA CYS A 5 6.367 4.114 -8.284 1.00 74.20 C ATOM 61 C CYS A 5 6.815 5.508 -8.714 1.00 64.10 C ATOM 62 O CYS A 5 7.047 6.383 -7.881 1.00 15.51 O ATOM 63 CB CYS A 5 4.917 3.877 -8.710 1.00 42.42 C ATOM 64 SG CYS A 5 4.743 3.018 -10.307 1.00 30.21 S ATOM 65 H CYS A 5 5.835 4.351 -6.248 1.00 1.03 H ATOM 66 HA CYS A 5 6.998 3.383 -8.763 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.422 3.277 -7.960 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.413 4.829 -8.791 1.00 14.14 H ATOM 69 N PHE A 6 6.932 5.707 -10.024 1.00 61.31 N ATOM 70 CA PHE A 6 7.352 6.993 -10.566 1.00 11.13 C ATOM 71 C PHE A 6 6.653 7.279 -11.892 1.00 22.31 C ATOM 72 O PHE A 6 6.859 6.574 -12.880 1.00 51.14 O ATOM 73 CB PHE A 6 8.870 7.017 -10.762 1.00 13.01 C ATOM 74 CG PHE A 6 9.638 7.134 -9.477 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.122 8.361 -9.052 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.877 6.017 -8.693 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.829 8.472 -7.869 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.583 6.122 -7.509 1.00 22.35 C ATOM 79 CZ PHE A 6 11.061 7.350 -7.098 1.00 34.35 C ATOM 80 H PHE A 6 6.733 4.970 -10.639 1.00 73.13 H ATOM 81 HA PHE A 6 7.077 7.757 -9.855 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.177 6.105 -11.250 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.131 7.860 -11.384 1.00 15.01 H ATOM 84 HD1 PHE A 6 9.942 9.240 -9.656 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.505 5.055 -9.014 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.201 9.435 -7.551 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.763 5.243 -6.908 1.00 62.21 H ATOM 88 HZ PHE A 6 11.612 7.435 -6.173 1.00 51.43 H ATOM 89 N THR A 7 5.823 8.318 -11.905 1.00 52.30 N ATOM 90 CA THR A 7 5.091 8.696 -13.107 1.00 12.52 C ATOM 91 C THR A 7 6.043 9.108 -14.224 1.00 73.14 C ATOM 92 O THR A 7 5.789 8.846 -15.400 1.00 53.32 O ATOM 93 CB THR A 7 4.114 9.853 -12.828 1.00 60.31 C ATOM 94 OG1 THR A 7 4.841 11.065 -12.599 1.00 62.32 O ATOM 95 CG2 THR A 7 3.240 9.545 -11.621 1.00 21.32 C ATOM 96 H THR A 7 5.701 8.841 -11.085 1.00 2.23 H ATOM 97 HA THR A 7 4.519 7.840 -13.433 1.00 25.02 H ATOM 98 HB THR A 7 3.477 9.982 -13.691 1.00 13.03 H ATOM 99 HG1 THR A 7 5.476 10.930 -11.892 1.00 50.10 H ATOM 100 HG21 THR A 7 3.218 8.478 -11.456 1.00 33.24 H ATOM 101 HG22 THR A 7 2.238 9.903 -11.801 1.00 1.34 H ATOM 102 HG23 THR A 7 3.646 10.035 -10.749 1.00 63.31 H ATOM 103 N THR A 8 7.143 9.755 -13.849 1.00 1.00 N ATOM 104 CA THR A 8 8.134 10.205 -14.819 1.00 60.33 C ATOM 105 C THR A 8 8.939 9.031 -15.366 1.00 53.42 C ATOM 106 O THR A 8 9.506 9.109 -16.455 1.00 64.45 O ATOM 107 CB THR A 8 9.101 11.231 -14.200 1.00 54.50 C ATOM 108 OG1 THR A 8 9.990 11.734 -15.204 1.00 44.03 O ATOM 109 CG2 THR A 8 9.904 10.606 -13.069 1.00 4.11 C ATOM 110 H THR A 8 7.289 9.934 -12.897 1.00 15.32 H ATOM 111 HA THR A 8 7.609 10.681 -15.634 1.00 2.23 H ATOM 112 HB THR A 8 8.522 12.052 -13.799 1.00 41.13 H ATOM 113 HG1 THR A 8 9.794 12.658 -15.372 1.00 42.43 H ATOM 114 HG21 THR A 8 9.383 9.737 -12.695 1.00 54.43 H ATOM 115 HG22 THR A 8 10.024 11.324 -12.273 1.00 2.14 H ATOM 116 HG23 THR A 8 10.875 10.311 -13.439 1.00 74.13 H ATOM 117 N ASP A 9 8.985 7.944 -14.603 1.00 21.34 N ATOM 118 CA ASP A 9 9.719 6.753 -15.013 1.00 12.04 C ATOM 119 C ASP A 9 8.832 5.823 -15.836 1.00 61.42 C ATOM 120 O ASP A 9 7.694 5.540 -15.459 1.00 12.44 O ATOM 121 CB ASP A 9 10.256 6.013 -13.788 1.00 52.22 C ATOM 122 CG ASP A 9 11.147 6.887 -12.927 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.555 6.431 -11.839 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.438 8.028 -13.343 1.00 44.10 O1- ATOM 125 H ASP A 9 8.512 7.942 -13.745 1.00 2.15 H ATOM 126 HA ASP A 9 10.550 7.070 -15.624 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.425 5.676 -13.185 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.829 5.157 -14.114 1.00 52.11 H ATOM 129 N HIS A 10 9.359 5.353 -16.961 1.00 43.01 N ATOM 130 CA HIS A 10 8.615 4.456 -17.838 1.00 62.24 C ATOM 131 C HIS A 10 8.934 2.999 -17.521 1.00 53.43 C ATOM 132 O HIS A 10 8.063 2.132 -17.601 1.00 31.54 O ATOM 133 CB HIS A 10 8.940 4.754 -19.302 1.00 31.21 C ATOM 134 CG HIS A 10 8.847 6.207 -19.653 1.00 13.22 C ATOM 135 ND1 HIS A 10 9.952 7.019 -19.796 1.00 61.15 N ATOM 136 CD2 HIS A 10 7.771 6.993 -19.892 1.00 41.34 C ATOM 137 CE1 HIS A 10 9.559 8.242 -20.106 1.00 72.53 C ATOM 138 NE2 HIS A 10 8.240 8.252 -20.170 1.00 64.11 N ATOM 139 H HIS A 10 10.271 5.615 -17.208 1.00 40.51 H ATOM 140 HA HIS A 10 7.563 4.627 -17.670 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.948 4.426 -19.514 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.251 4.213 -19.935 1.00 4.24 H ATOM 143 HD1 HIS A 10 10.884 6.742 -19.686 1.00 3.22 H ATOM 144 HD2 HIS A 10 6.735 6.686 -19.867 1.00 74.25 H ATOM 145 HE1 HIS A 10 10.206 9.089 -20.278 1.00 61.01 H ATOM 146 N GLN A 11 10.186 2.736 -17.160 1.00 53.33 N ATOM 147 CA GLN A 11 10.619 1.383 -16.832 1.00 74.14 C ATOM 148 C GLN A 11 10.240 1.023 -15.399 1.00 32.21 C ATOM 149 O GLN A 11 10.261 -0.146 -15.017 1.00 21.34 O ATOM 150 CB GLN A 11 12.131 1.248 -17.022 1.00 43.54 C ATOM 151 CG GLN A 11 12.935 2.274 -16.242 1.00 43.54 C ATOM 152 CD GLN A 11 14.404 1.909 -16.140 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.752 0.756 -15.884 1.00 53.20 O ATOM 154 NE2 GLN A 11 15.273 2.893 -16.341 1.00 34.11 N ATOM 155 H GLN A 11 10.834 3.469 -17.114 1.00 21.03 H ATOM 156 HA GLN A 11 10.118 0.703 -17.505 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.435 0.263 -16.700 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.361 1.363 -18.070 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.852 3.230 -16.736 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.528 2.349 -15.244 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.923 3.786 -16.540 1.00 15.12 H ATOM 162 HE22 GLN A 11 16.228 2.685 -16.281 1.00 62.42 H ATOM 163 N MET A 12 9.894 2.036 -14.611 1.00 45.43 N ATOM 164 CA MET A 12 9.511 1.825 -13.220 1.00 41.10 C ATOM 165 C MET A 12 8.229 1.003 -13.128 1.00 14.12 C ATOM 166 O MET A 12 8.117 0.102 -12.297 1.00 20.41 O ATOM 167 CB MET A 12 9.320 3.168 -12.513 1.00 13.42 C ATOM 168 CG MET A 12 8.903 3.034 -11.057 1.00 3.42 C ATOM 169 SD MET A 12 10.266 2.533 -9.987 1.00 34.23 S ATOM 170 CE MET A 12 9.534 1.136 -9.139 1.00 44.15 C ATOM 171 H MET A 12 9.897 2.947 -14.973 1.00 23.24 H ATOM 172 HA MET A 12 10.308 1.282 -12.735 1.00 24.11 H ATOM 173 HB2 MET A 12 10.250 3.716 -12.549 1.00 10.25 H ATOM 174 HB3 MET A 12 8.559 3.731 -13.032 1.00 64.23 H ATOM 175 HG2 MET A 12 8.528 3.987 -10.714 1.00 14.24 H ATOM 176 HG3 MET A 12 8.119 2.295 -10.988 1.00 32.30 H ATOM 177 HE1 MET A 12 9.860 1.128 -8.109 1.00 33.32 H ATOM 178 HE2 MET A 12 8.458 1.217 -9.174 1.00 73.40 H ATOM 179 HE3 MET A 12 9.843 0.220 -9.621 1.00 50.41 H ATOM 180 N ALA A 13 7.265 1.319 -13.988 1.00 20.32 N ATOM 181 CA ALA A 13 5.993 0.608 -14.005 1.00 61.02 C ATOM 182 C ALA A 13 6.207 -0.900 -14.079 1.00 65.44 C ATOM 183 O ALA A 13 5.450 -1.674 -13.494 1.00 61.00 O ATOM 184 CB ALA A 13 5.139 1.080 -15.172 1.00 41.50 C ATOM 185 H ALA A 13 7.415 2.047 -14.627 1.00 54.24 H ATOM 186 HA ALA A 13 5.468 0.841 -13.089 1.00 40.02 H ATOM 187 HB1 ALA A 13 5.701 0.981 -16.090 1.00 4.12 H ATOM 188 HB2 ALA A 13 4.245 0.479 -15.230 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.870 2.115 -15.025 1.00 41.25 H ATOM 190 N ARG A 14 7.244 -1.310 -14.804 1.00 61.42 N ATOM 191 CA ARG A 14 7.556 -2.726 -14.957 1.00 4.12 C ATOM 192 C ARG A 14 7.641 -3.414 -13.597 1.00 73.12 C ATOM 193 O ARG A 14 7.020 -4.453 -13.375 1.00 51.32 O ATOM 194 CB ARG A 14 8.875 -2.901 -15.713 1.00 70.30 C ATOM 195 CG ARG A 14 9.265 -4.353 -15.928 1.00 3.53 C ATOM 196 CD ARG A 14 8.201 -5.106 -16.711 1.00 31.05 C ATOM 197 NE ARG A 14 7.199 -5.706 -15.834 1.00 71.02 N ATOM 198 CZ ARG A 14 7.404 -6.816 -15.134 1.00 73.14 C ATOM 199 NH1 ARG A 14 8.569 -7.445 -15.209 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 6.443 -7.300 -14.358 1.00 43.21 N ATOM 201 H ARG A 14 7.811 -0.645 -15.247 1.00 11.41 H ATOM 202 HA ARG A 14 6.761 -3.182 -15.528 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.788 -2.427 -16.679 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.662 -2.418 -15.154 1.00 32.32 H ATOM 205 HG2 ARG A 14 10.194 -4.389 -16.479 1.00 14.32 H ATOM 206 HG3 ARG A 14 9.397 -4.828 -14.967 1.00 64.15 H ATOM 207 HD2 ARG A 14 7.711 -4.417 -17.382 1.00 2.11 H ATOM 208 HD3 ARG A 14 8.679 -5.887 -17.282 1.00 61.05 H ATOM 209 HE ARG A 14 6.331 -5.258 -15.763 1.00 12.31 H ATOM 210 HH11 ARG A 14 9.296 -7.082 -15.792 1.00 13.11 H ATOM 211 HH12 ARG A 14 8.722 -8.280 -14.680 1.00 54.33 H ATOM 212 HH21 ARG A 14 5.563 -6.829 -14.299 1.00 3.13 H ATOM 213 HH22 ARG A 14 6.599 -8.136 -13.832 1.00 22.33 H ATOM 214 N LYS A 15 8.416 -2.827 -12.691 1.00 53.05 N ATOM 215 CA LYS A 15 8.584 -3.382 -11.354 1.00 32.42 C ATOM 216 C LYS A 15 7.298 -3.246 -10.543 1.00 33.31 C ATOM 217 O LYS A 15 6.925 -4.151 -9.796 1.00 53.12 O ATOM 218 CB LYS A 15 9.733 -2.678 -10.627 1.00 1.14 C ATOM 219 CG LYS A 15 11.082 -2.866 -11.299 1.00 62.52 C ATOM 220 CD LYS A 15 12.067 -1.786 -10.883 1.00 62.43 C ATOM 221 CE LYS A 15 11.868 -0.510 -11.686 1.00 42.23 C ATOM 222 NZ LYS A 15 13.163 0.151 -12.007 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.887 -2.000 -12.928 1.00 5.22 H ATOM 224 HA LYS A 15 8.821 -4.429 -11.456 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.520 -1.620 -10.583 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.798 -3.066 -9.621 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.482 -3.829 -11.020 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.949 -2.826 -12.371 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.924 -1.564 -9.836 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.073 -2.148 -11.042 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.361 -0.756 -12.607 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.259 0.171 -11.111 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.956 -0.447 -11.697 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.225 1.069 -11.523 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.242 0.305 -13.033 1.00 5.34 H ATOM 236 N CYS A 16 6.624 -2.111 -10.697 1.00 3.31 N ATOM 237 CA CYS A 16 5.380 -1.857 -9.981 1.00 42.35 C ATOM 238 C CYS A 16 4.411 -3.026 -10.143 1.00 44.12 C ATOM 239 O CYS A 16 3.782 -3.461 -9.179 1.00 25.33 O ATOM 240 CB CYS A 16 4.730 -0.568 -10.487 1.00 33.01 C ATOM 241 SG CYS A 16 2.979 -0.385 -10.021 1.00 23.31 S ATOM 242 H CYS A 16 6.972 -1.427 -11.307 1.00 60.30 H ATOM 243 HA CYS A 16 5.616 -1.744 -8.935 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.266 0.279 -10.084 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.788 -0.544 -11.565 1.00 1.13 H ATOM 246 N ASP A 17 4.298 -3.528 -11.368 1.00 30.21 N ATOM 247 CA ASP A 17 3.407 -4.645 -11.657 1.00 74.33 C ATOM 248 C ASP A 17 3.972 -5.948 -11.098 1.00 20.44 C ATOM 249 O ASP A 17 3.228 -6.807 -10.626 1.00 54.11 O ATOM 250 CB ASP A 17 3.188 -4.775 -13.165 1.00 61.34 C ATOM 251 CG ASP A 17 2.794 -3.460 -13.808 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.156 -3.241 -14.982 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.122 -2.650 -13.135 1.00 73.12 O1- ATOM 254 H ASP A 17 4.826 -3.136 -12.095 1.00 20.24 H ATOM 255 HA ASP A 17 2.459 -4.447 -11.180 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.102 -5.120 -13.627 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.404 -5.495 -13.348 1.00 43.02 H ATOM 258 N ASP A 18 5.292 -6.088 -11.158 1.00 1.53 N ATOM 259 CA ASP A 18 5.958 -7.286 -10.658 1.00 43.23 C ATOM 260 C ASP A 18 5.729 -7.449 -9.159 1.00 73.15 C ATOM 261 O ASP A 18 5.321 -8.514 -8.694 1.00 70.42 O ATOM 262 CB ASP A 18 7.457 -7.223 -10.954 1.00 12.25 C ATOM 263 CG ASP A 18 8.104 -8.594 -10.954 1.00 72.42 C ATOM 264 OD1 ASP A 18 8.173 -9.218 -9.874 1.00 72.02 O ATOM 265 OD2 ASP A 18 8.542 -9.043 -12.034 1.00 1.52 O1- ATOM 266 H ASP A 18 5.832 -5.368 -11.546 1.00 42.55 H ATOM 267 HA ASP A 18 5.534 -8.137 -11.169 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.606 -6.775 -11.926 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.940 -6.616 -10.203 1.00 23.01 H ATOM 270 N CYS A 19 5.995 -6.388 -8.406 1.00 74.32 N ATOM 271 CA CYS A 19 5.820 -6.412 -6.958 1.00 61.35 C ATOM 272 C CYS A 19 4.408 -6.859 -6.589 1.00 64.12 C ATOM 273 O CYS A 19 4.205 -7.549 -5.590 1.00 71.41 O ATOM 274 CB CYS A 19 6.101 -5.030 -6.366 1.00 12.25 C ATOM 275 SG CYS A 19 6.651 -5.064 -4.629 1.00 61.50 S ATOM 276 H CYS A 19 6.317 -5.566 -8.834 1.00 52.24 H ATOM 277 HA CYS A 19 6.526 -7.120 -6.552 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.875 -4.549 -6.946 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.201 -4.436 -6.415 1.00 44.30 H ATOM 280 N CYS A 20 3.436 -6.460 -7.403 1.00 43.21 N ATOM 281 CA CYS A 20 2.043 -6.818 -7.162 1.00 13.54 C ATOM 282 C CYS A 20 1.817 -8.309 -7.396 1.00 3.21 C ATOM 283 O CYS A 20 0.920 -8.911 -6.806 1.00 31.20 O ATOM 284 CB CYS A 20 1.121 -6.003 -8.071 1.00 71.44 C ATOM 285 SG CYS A 20 1.144 -4.212 -7.738 1.00 62.14 S ATOM 286 H CYS A 20 3.660 -5.911 -8.183 1.00 13.34 H ATOM 287 HA CYS A 20 1.814 -6.589 -6.133 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.421 -6.149 -9.098 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.106 -6.348 -7.944 1.00 54.53 H ATOM 290 N GLY A 21 2.637 -8.898 -8.261 1.00 71.21 N ATOM 291 CA GLY A 21 2.509 -10.313 -8.557 1.00 63.31 C ATOM 292 C GLY A 21 3.270 -10.715 -9.806 1.00 31.25 C ATOM 293 O GLY A 21 4.299 -11.384 -9.726 1.00 4.44 O ATOM 294 H GLY A 21 3.333 -8.368 -8.702 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.888 -10.880 -7.720 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.464 -10.548 -8.696 1.00 45.10 H ATOM 297 N GLY A 22 2.761 -10.306 -10.964 1.00 45.41 N ATOM 298 CA GLY A 22 3.410 -10.637 -12.219 1.00 34.14 C ATOM 299 C GLY A 22 3.171 -9.592 -13.290 1.00 73.32 C ATOM 300 O GLY A 22 2.377 -8.670 -13.102 1.00 61.24 O ATOM 301 H GLY A 22 1.937 -9.774 -10.966 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.473 -10.727 -12.049 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.030 -11.586 -12.567 1.00 24.21 H ATOM 304 N LYS A 23 3.861 -9.734 -14.417 1.00 3.23 N ATOM 305 CA LYS A 23 3.721 -8.794 -15.523 1.00 20.35 C ATOM 306 C LYS A 23 2.253 -8.609 -15.898 1.00 22.43 C ATOM 307 O LYS A 23 1.578 -9.560 -16.290 1.00 2.32 O ATOM 308 CB LYS A 23 4.510 -9.284 -16.738 1.00 72.33 C ATOM 309 CG LYS A 23 4.502 -8.309 -17.903 1.00 64.12 C ATOM 310 CD LYS A 23 5.743 -8.460 -18.766 1.00 52.32 C ATOM 311 CE LYS A 23 5.708 -7.521 -19.963 1.00 45.02 C ATOM 312 NZ LYS A 23 6.821 -7.794 -20.914 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.479 -10.489 -14.507 1.00 3.22 H ATOM 314 HA LYS A 23 4.121 -7.843 -15.204 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.536 -9.451 -16.443 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.086 -10.219 -17.076 1.00 10.51 H ATOM 317 HG2 LYS A 23 3.629 -8.496 -18.512 1.00 33.44 H ATOM 318 HG3 LYS A 23 4.464 -7.301 -17.516 1.00 3.51 H ATOM 319 HD2 LYS A 23 6.616 -8.232 -18.170 1.00 62.25 H ATOM 320 HD3 LYS A 23 5.803 -9.479 -19.121 1.00 13.45 H ATOM 321 HE2 LYS A 23 4.767 -7.649 -20.476 1.00 23.11 H ATOM 322 HE3 LYS A 23 5.789 -6.505 -19.608 1.00 53.04 H ATOM 323 HZ1 LYS A 23 6.626 -7.340 -21.830 1.00 22.05 H ATOM 324 HZ2 LYS A 23 6.922 -8.818 -21.062 1.00 23.14 H ATOM 325 HZ3 LYS A 23 7.715 -7.419 -20.535 1.00 40.52 H ATOM 326 N GLY A 24 1.766 -7.378 -15.776 1.00 4.40 N ATOM 327 CA GLY A 24 0.383 -7.091 -16.107 1.00 75.05 C ATOM 328 C GLY A 24 -0.487 -6.931 -14.876 1.00 42.01 C ATOM 329 O GLY A 24 -1.562 -6.334 -14.940 1.00 52.53 O ATOM 330 H GLY A 24 2.351 -6.659 -15.458 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.343 -6.179 -16.684 1.00 12.33 H ATOM 332 HA3 GLY A 24 -0.008 -7.901 -16.706 1.00 2.34 H ATOM 333 N ARG A 25 -0.022 -7.466 -13.751 1.00 15.22 N ATOM 334 CA ARG A 25 -0.766 -7.381 -12.501 1.00 10.45 C ATOM 335 C ARG A 25 -0.339 -6.158 -11.694 1.00 52.41 C ATOM 336 O ARG A 25 0.823 -6.031 -11.310 1.00 73.24 O ATOM 337 CB ARG A 25 -0.558 -8.650 -11.672 1.00 71.43 C ATOM 338 CG ARG A 25 -0.597 -9.927 -12.494 1.00 22.35 C ATOM 339 CD ARG A 25 -1.184 -11.083 -11.700 1.00 4.34 C ATOM 340 NE ARG A 25 -1.726 -12.125 -12.568 1.00 25.31 N ATOM 341 CZ ARG A 25 -0.972 -12.990 -13.238 1.00 43.12 C ATOM 342 NH1 ARG A 25 0.349 -12.937 -13.138 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -1.539 -13.909 -14.008 1.00 50.14 N ATOM 344 H ARG A 25 0.842 -7.929 -13.763 1.00 43.44 H ATOM 345 HA ARG A 25 -1.814 -7.289 -12.744 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.403 -8.593 -11.183 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.332 -8.707 -10.922 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.206 -9.763 -13.371 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.409 -10.182 -12.793 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.407 -11.511 -11.083 1.00 43.41 H ATOM 351 HD3 ARG A 25 -1.975 -10.704 -11.070 1.00 72.52 H ATOM 352 HE ARG A 25 -2.700 -12.182 -12.655 1.00 71.42 H ATOM 353 HH11 ARG A 25 0.779 -12.246 -12.559 1.00 14.34 H ATOM 354 HH12 ARG A 25 0.915 -13.590 -13.643 1.00 2.50 H ATOM 355 HH21 ARG A 25 -2.535 -13.952 -14.084 1.00 12.23 H ATOM 356 HH22 ARG A 25 -0.970 -14.559 -14.512 1.00 22.24 H ATOM 357 N GLY A 26 -1.286 -5.260 -11.443 1.00 12.23 N ATOM 358 CA GLY A 26 -0.988 -4.059 -10.686 1.00 3.25 C ATOM 359 C GLY A 26 -1.106 -2.800 -11.522 1.00 24.32 C ATOM 360 O GLY A 26 -1.292 -2.869 -12.738 1.00 11.13 O ATOM 361 H GLY A 26 -2.195 -5.414 -11.775 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.672 -3.992 -9.854 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.021 -4.130 -10.303 1.00 64.11 H ATOM 364 N LYS A 27 -1.001 -1.647 -10.872 1.00 24.11 N ATOM 365 CA LYS A 27 -1.099 -0.367 -11.562 1.00 32.04 C ATOM 366 C LYS A 27 -0.228 0.686 -10.883 1.00 61.25 C ATOM 367 O LYS A 27 0.071 0.585 -9.693 1.00 41.23 O ATOM 368 CB LYS A 27 -2.553 0.107 -11.600 1.00 32.44 C ATOM 369 CG LYS A 27 -3.320 -0.380 -12.818 1.00 22.41 C ATOM 370 CD LYS A 27 -4.821 -0.324 -12.591 1.00 55.25 C ATOM 371 CE LYS A 27 -5.572 -0.071 -13.889 1.00 3.41 C ATOM 372 NZ LYS A 27 -6.971 0.379 -13.642 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.853 -1.657 -9.902 1.00 41.42 H ATOM 374 HA LYS A 27 -0.749 -0.508 -12.574 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.059 -0.252 -10.716 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.567 1.188 -11.600 1.00 21.32 H ATOM 377 HG2 LYS A 27 -3.071 0.245 -13.662 1.00 34.13 H ATOM 378 HG3 LYS A 27 -3.034 -1.401 -13.026 1.00 32.04 H ATOM 379 HD2 LYS A 27 -5.149 -1.266 -12.175 1.00 4.44 H ATOM 380 HD3 LYS A 27 -5.041 0.474 -11.895 1.00 42.23 H ATOM 381 HE2 LYS A 27 -5.052 0.691 -14.448 1.00 23.42 H ATOM 382 HE3 LYS A 27 -5.594 -0.987 -14.460 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -6.975 1.187 -12.986 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -7.527 -0.395 -13.225 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -7.416 0.669 -14.535 1.00 22.22 H ATOM 386 N CYS A 28 0.176 1.696 -11.646 1.00 33.30 N ATOM 387 CA CYS A 28 1.011 2.768 -11.118 1.00 64.20 C ATOM 388 C CYS A 28 0.207 4.055 -10.957 1.00 13.13 C ATOM 389 O CYS A 28 -0.159 4.698 -11.941 1.00 62.20 O ATOM 390 CB CYS A 28 2.206 3.013 -12.041 1.00 65.11 C ATOM 391 SG CYS A 28 3.453 4.151 -11.356 1.00 14.21 S ATOM 392 H CYS A 28 -0.096 1.721 -12.589 1.00 41.24 H ATOM 393 HA CYS A 28 1.373 2.460 -10.149 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.697 2.070 -12.239 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.853 3.431 -12.972 1.00 4.33 H ATOM 396 N TYR A 29 -0.064 4.423 -9.710 1.00 12.13 N ATOM 397 CA TYR A 29 -0.826 5.632 -9.419 1.00 54.10 C ATOM 398 C TYR A 29 -0.102 6.500 -8.394 1.00 74.01 C ATOM 399 O TYR A 29 -0.002 6.144 -7.222 1.00 21.41 O ATOM 400 CB TYR A 29 -2.220 5.269 -8.902 1.00 42.54 C ATOM 401 CG TYR A 29 -3.076 4.552 -9.921 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.647 3.319 -9.634 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.315 5.109 -11.173 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.429 2.660 -10.562 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.097 4.458 -12.106 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.652 3.233 -11.797 1.00 13.41 C ATOM 407 OH TYR A 29 -5.431 2.581 -12.724 1.00 30.43 O ATOM 408 H TYR A 29 0.254 3.869 -8.967 1.00 31.15 H ATOM 409 HA TYR A 29 -0.928 6.189 -10.339 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.121 4.625 -8.042 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.735 6.173 -8.612 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.471 2.873 -8.665 1.00 34.10 H ATOM 413 HD2 TYR A 29 -2.879 6.068 -11.412 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.865 1.701 -10.320 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.271 4.907 -13.074 1.00 70.25 H ATOM 416 HH TYR A 29 -5.095 2.757 -13.606 1.00 34.11 H ATOM 417 N GLY A 30 0.403 7.643 -8.848 1.00 73.23 N ATOM 418 CA GLY A 30 1.112 8.546 -7.960 1.00 75.55 C ATOM 419 C GLY A 30 2.528 8.085 -7.675 1.00 55.41 C ATOM 420 O GLY A 30 3.104 7.286 -8.414 1.00 44.54 O ATOM 421 H GLY A 30 0.293 7.875 -9.795 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.147 9.525 -8.413 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.572 8.611 -7.027 1.00 4.20 H ATOM 424 N PRO A 31 3.111 8.596 -6.581 1.00 73.33 N ATOM 425 CA PRO A 31 4.476 8.248 -6.176 1.00 43.14 C ATOM 426 C PRO A 31 4.585 6.810 -5.681 1.00 12.34 C ATOM 427 O PRO A 31 5.677 6.245 -5.621 1.00 71.01 O ATOM 428 CB PRO A 31 4.770 9.228 -5.039 1.00 11.54 C ATOM 429 CG PRO A 31 3.431 9.582 -4.488 1.00 21.14 C ATOM 430 CD PRO A 31 2.484 9.554 -5.656 1.00 72.01 C ATOM 431 HA PRO A 31 5.182 8.405 -6.980 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.389 8.746 -4.295 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.278 10.098 -5.429 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.135 8.856 -3.747 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.463 10.572 -4.056 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.511 9.207 -5.343 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.410 10.533 -6.106 1.00 34.24 H ATOM 438 N GLN A 32 3.446 6.222 -5.329 1.00 24.42 N ATOM 439 CA GLN A 32 3.415 4.850 -4.839 1.00 72.22 C ATOM 440 C GLN A 32 2.685 3.938 -5.821 1.00 34.31 C ATOM 441 O GLN A 32 1.780 4.374 -6.534 1.00 54.23 O ATOM 442 CB GLN A 32 2.737 4.790 -3.469 1.00 24.33 C ATOM 443 CG GLN A 32 3.470 5.575 -2.394 1.00 54.33 C ATOM 444 CD GLN A 32 2.677 5.682 -1.106 1.00 11.12 C ATOM 445 OE1 GLN A 32 1.458 5.508 -1.099 1.00 63.11 O ATOM 446 NE2 GLN A 32 3.366 5.969 -0.008 1.00 54.22 N ATOM 447 H GLN A 32 2.608 6.724 -5.400 1.00 31.43 H ATOM 448 HA GLN A 32 4.434 4.509 -4.742 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.737 5.188 -3.557 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.678 3.759 -3.154 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.406 5.080 -2.180 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.666 6.571 -2.762 1.00 4.55 H ATOM 453 HE21 GLN A 32 4.335 6.096 -0.090 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.878 6.045 0.838 1.00 14.22 H ATOM 455 N CYS A 33 3.084 2.671 -5.852 1.00 31.22 N ATOM 456 CA CYS A 33 2.469 1.697 -6.746 1.00 4.23 C ATOM 457 C CYS A 33 1.261 1.039 -6.086 1.00 42.43 C ATOM 458 O CYS A 33 1.364 0.483 -4.991 1.00 3.41 O ATOM 459 CB CYS A 33 3.488 0.630 -7.150 1.00 45.11 C ATOM 460 SG CYS A 33 2.775 -0.766 -8.078 1.00 44.02 S ATOM 461 H CYS A 33 3.810 2.383 -5.259 1.00 11.45 H ATOM 462 HA CYS A 33 2.139 2.221 -7.630 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.245 1.084 -7.773 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.953 0.231 -6.260 1.00 63.41 H ATOM 465 N LEU A 34 0.117 1.105 -6.758 1.00 13.22 N ATOM 466 CA LEU A 34 -1.111 0.515 -6.237 1.00 63.23 C ATOM 467 C LEU A 34 -1.528 -0.696 -7.066 1.00 51.42 C ATOM 468 O LEU A 34 -1.740 -0.590 -8.275 1.00 24.01 O ATOM 469 CB LEU A 34 -2.234 1.552 -6.228 1.00 32.10 C ATOM 470 CG LEU A 34 -1.857 2.946 -5.726 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.086 3.837 -5.648 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.173 2.857 -4.369 1.00 70.22 C ATOM 473 H LEU A 34 0.097 1.560 -7.625 1.00 45.35 H ATOM 474 HA LEU A 34 -0.921 0.193 -5.224 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.600 1.653 -7.238 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.027 1.175 -5.596 1.00 40.13 H ATOM 477 HG LEU A 34 -1.162 3.397 -6.422 1.00 15.14 H ATOM 478 HD11 LEU A 34 -2.779 4.869 -5.568 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.672 3.567 -4.781 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.683 3.707 -6.539 1.00 51.04 H ATOM 481 HD21 LEU A 34 -0.210 2.383 -4.482 1.00 53.03 H ATOM 482 HD22 LEU A 34 -1.785 2.274 -3.696 1.00 13.11 H ATOM 483 HD23 LEU A 34 -1.041 3.850 -3.967 1.00 72.45 H ATOM 484 N CYS A 35 -1.645 -1.845 -6.410 1.00 55.40 N ATOM 485 CA CYS A 35 -2.039 -3.075 -7.084 1.00 1.13 C ATOM 486 C CYS A 35 -3.557 -3.174 -7.196 1.00 11.13 C ATOM 487 O CYS A 35 -4.272 -3.052 -6.201 1.00 45.25 O ATOM 488 CB CYS A 35 -1.492 -4.291 -6.334 1.00 3.52 C ATOM 489 SG CYS A 35 0.268 -4.157 -5.883 1.00 24.35 S ATOM 490 H CYS A 35 -1.462 -1.866 -5.446 1.00 32.23 H ATOM 491 HA CYS A 35 -1.618 -3.058 -8.078 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.055 -4.424 -5.421 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.607 -5.169 -6.952 1.00 43.25 H ATOM 494 N ARG A 36 -4.044 -3.393 -8.414 1.00 44.14 N ATOM 495 CA ARG A 36 -5.477 -3.507 -8.655 1.00 13.02 C ATOM 496 C ARG A 36 -6.097 -4.571 -7.754 1.00 4.24 C ATOM 497 O ARG A 36 -7.259 -4.463 -7.360 1.00 54.12 O ATOM 498 CB ARG A 36 -5.742 -3.847 -10.122 1.00 3.14 C ATOM 499 CG ARG A 36 -4.907 -5.007 -10.639 1.00 65.30 C ATOM 500 CD ARG A 36 -5.783 -6.137 -11.157 1.00 44.00 C ATOM 501 NE ARG A 36 -6.009 -7.164 -10.143 1.00 13.52 N ATOM 502 CZ ARG A 36 -6.924 -8.120 -10.256 1.00 42.43 C ATOM 503 NH1 ARG A 36 -7.695 -8.181 -11.333 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -7.069 -9.019 -9.290 1.00 4.52 N ATOM 505 H ARG A 36 -3.423 -3.481 -9.167 1.00 31.33 H ATOM 506 HA ARG A 36 -5.927 -2.553 -8.429 1.00 52.22 H ATOM 507 HB2 ARG A 36 -6.785 -4.104 -10.237 1.00 23.53 H ATOM 508 HB3 ARG A 36 -5.525 -2.980 -10.726 1.00 62.10 H ATOM 509 HG2 ARG A 36 -4.279 -4.657 -11.445 1.00 51.50 H ATOM 510 HG3 ARG A 36 -4.290 -5.381 -9.835 1.00 2.40 H ATOM 511 HD2 ARG A 36 -6.736 -5.727 -11.458 1.00 3.43 H ATOM 512 HD3 ARG A 36 -5.299 -6.588 -12.011 1.00 43.42 H ATOM 513 HE ARG A 36 -5.450 -7.138 -9.339 1.00 5.53 H ATOM 514 HH11 ARG A 36 -7.588 -7.505 -12.063 1.00 32.41 H ATOM 515 HH12 ARG A 36 -8.383 -8.902 -11.416 1.00 50.15 H ATOM 516 HH21 ARG A 36 -6.489 -8.976 -8.477 1.00 24.15 H ATOM 517 HH22 ARG A 36 -7.758 -9.738 -9.376 1.00 1.54 H