ATOM 1 N MET A 1 1.368 0.070 0.147 1.00 61.14 N ATOM 2 CA MET A 1 2.103 0.059 -1.112 1.00 54.30 C ATOM 3 C MET A 1 3.160 -1.042 -1.114 1.00 10.41 C ATOM 4 O MET A 1 3.821 -1.284 -0.103 1.00 3.43 O ATOM 5 CB MET A 1 2.764 1.417 -1.354 1.00 20.22 C ATOM 6 CG MET A 1 3.727 1.829 -0.252 1.00 1.40 C ATOM 7 SD MET A 1 5.424 1.321 -0.588 1.00 51.55 S ATOM 8 CE MET A 1 6.012 2.714 -1.547 1.00 35.22 C ATOM 9 H MET A 1 1.075 0.928 0.522 1.00 74.14 H ATOM 10 HA MET A 1 1.398 -0.135 -1.906 1.00 15.40 H ATOM 11 HB2 MET A 1 3.311 1.378 -2.284 1.00 4.54 H ATOM 12 HB3 MET A 1 1.994 2.171 -1.429 1.00 14.14 H ATOM 13 HG2 MET A 1 3.701 2.904 -0.152 1.00 54.45 H ATOM 14 HG3 MET A 1 3.407 1.377 0.675 1.00 12.20 H ATOM 15 HE1 MET A 1 6.895 2.427 -2.097 1.00 22.11 H ATOM 16 HE2 MET A 1 5.242 3.024 -2.239 1.00 11.55 H ATOM 17 HE3 MET A 1 6.250 3.533 -0.885 1.00 61.33 H ATOM 18 N CYS A 2 3.314 -1.706 -2.254 1.00 65.22 N ATOM 19 CA CYS A 2 4.289 -2.782 -2.388 1.00 20.05 C ATOM 20 C CYS A 2 5.673 -2.224 -2.708 1.00 4.54 C ATOM 21 O CYS A 2 6.687 -2.757 -2.258 1.00 4.35 O ATOM 22 CB CYS A 2 3.855 -3.759 -3.482 1.00 63.23 C ATOM 23 SG CYS A 2 4.783 -5.326 -3.490 1.00 13.21 S ATOM 24 H CYS A 2 2.757 -1.468 -3.025 1.00 75.25 H ATOM 25 HA CYS A 2 4.335 -3.307 -1.446 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.810 -3.997 -3.346 1.00 13.22 H ATOM 27 HB3 CYS A 2 3.990 -3.291 -4.446 1.00 71.35 H ATOM 28 N MET A 3 5.706 -1.148 -3.487 1.00 45.01 N ATOM 29 CA MET A 3 6.965 -0.517 -3.866 1.00 52.23 C ATOM 30 C MET A 3 6.728 0.891 -4.399 1.00 23.10 C ATOM 31 O MET A 3 5.652 1.219 -4.903 1.00 20.11 O ATOM 32 CB MET A 3 7.684 -1.360 -4.920 1.00 74.12 C ATOM 33 CG MET A 3 7.114 -1.201 -6.320 1.00 63.41 C ATOM 34 SD MET A 3 8.024 -2.151 -7.553 1.00 2.44 S ATOM 35 CE MET A 3 9.678 -1.507 -7.324 1.00 45.55 C ATOM 36 H MET A 3 4.863 -0.768 -3.815 1.00 0.44 H ATOM 37 HA MET A 3 7.582 -0.456 -2.983 1.00 70.35 H ATOM 38 HB2 MET A 3 8.725 -1.073 -4.944 1.00 63.13 H ATOM 39 HB3 MET A 3 7.613 -2.401 -4.643 1.00 23.14 H ATOM 40 HG2 MET A 3 6.087 -1.535 -6.315 1.00 53.32 H ATOM 41 HG3 MET A 3 7.149 -0.156 -6.591 1.00 1.24 H ATOM 42 HE1 MET A 3 10.214 -2.132 -6.624 1.00 21.34 H ATOM 43 HE2 MET A 3 10.197 -1.499 -8.271 1.00 61.54 H ATOM 44 HE3 MET A 3 9.622 -0.500 -6.936 1.00 63.45 H ATOM 45 N PRO A 4 7.755 1.747 -4.289 1.00 22.41 N ATOM 46 CA PRO A 4 7.682 3.135 -4.755 1.00 23.31 C ATOM 47 C PRO A 4 7.635 3.235 -6.276 1.00 1.05 C ATOM 48 O PRO A 4 8.475 2.661 -6.971 1.00 42.21 O ATOM 49 CB PRO A 4 8.973 3.759 -4.218 1.00 25.11 C ATOM 50 CG PRO A 4 9.913 2.612 -4.069 1.00 51.45 C ATOM 51 CD PRO A 4 9.065 1.426 -3.701 1.00 11.41 C ATOM 52 HA PRO A 4 6.830 3.651 -4.337 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.344 4.488 -4.924 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.778 4.235 -3.269 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.423 2.433 -5.003 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.625 2.822 -3.286 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.472 0.524 -4.133 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.993 1.334 -2.628 1.00 72.12 H ATOM 59 N CYS A 5 6.650 3.965 -6.787 1.00 4.23 N ATOM 60 CA CYS A 5 6.494 4.139 -8.226 1.00 74.20 C ATOM 61 C CYS A 5 6.937 5.535 -8.657 1.00 64.10 C ATOM 62 O CYS A 5 7.179 6.406 -7.821 1.00 15.51 O ATOM 63 CB CYS A 5 5.038 3.907 -8.634 1.00 42.42 C ATOM 64 SG CYS A 5 4.842 3.048 -10.229 1.00 30.21 S ATOM 65 H CYS A 5 6.012 4.397 -6.182 1.00 1.03 H ATOM 66 HA CYS A 5 7.118 3.409 -8.719 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.552 3.308 -7.878 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.537 4.860 -8.710 1.00 14.14 H ATOM 69 N PHE A 6 7.041 5.739 -9.966 1.00 61.31 N ATOM 70 CA PHE A 6 7.456 7.029 -10.507 1.00 11.13 C ATOM 71 C PHE A 6 6.740 7.321 -11.823 1.00 22.31 C ATOM 72 O PHE A 6 6.957 6.640 -12.826 1.00 51.14 O ATOM 73 CB PHE A 6 8.971 7.052 -10.721 1.00 13.01 C ATOM 74 CG PHE A 6 9.756 7.082 -9.441 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.242 8.278 -8.939 1.00 51.33 C ATOM 76 CD2 PHE A 6 10.010 5.914 -8.741 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.967 8.309 -7.763 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.732 5.938 -7.563 1.00 22.35 C ATOM 79 CZ PHE A 6 11.210 7.137 -7.073 1.00 34.35 C ATOM 80 H PHE A 6 6.835 5.006 -10.581 1.00 73.13 H ATOM 81 HA PHE A 6 7.191 7.790 -9.790 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.264 6.169 -11.269 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.232 7.929 -11.293 1.00 15.01 H ATOM 84 HD1 PHE A 6 10.051 9.196 -9.477 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.636 4.975 -9.124 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.339 9.248 -7.381 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.922 5.020 -7.027 1.00 62.21 H ATOM 88 HZ PHE A 6 11.777 7.158 -6.153 1.00 51.43 H ATOM 89 N THR A 7 5.885 8.339 -11.811 1.00 52.30 N ATOM 90 CA THR A 7 5.136 8.722 -13.001 1.00 12.52 C ATOM 91 C THR A 7 6.072 9.133 -14.131 1.00 73.14 C ATOM 92 O THR A 7 5.801 8.873 -15.304 1.00 53.32 O ATOM 93 CB THR A 7 4.166 9.880 -12.706 1.00 60.31 C ATOM 94 OG1 THR A 7 4.900 11.083 -12.450 1.00 62.32 O ATOM 95 CG2 THR A 7 3.284 9.556 -11.509 1.00 21.32 C ATOM 96 H THR A 7 5.756 8.843 -10.981 1.00 2.23 H ATOM 97 HA THR A 7 4.558 7.867 -13.320 1.00 25.02 H ATOM 98 HB THR A 7 3.534 10.030 -13.569 1.00 13.03 H ATOM 99 HG1 THR A 7 4.344 11.704 -11.976 1.00 50.10 H ATOM 100 HG21 THR A 7 3.612 10.130 -10.654 1.00 33.24 H ATOM 101 HG22 THR A 7 3.356 8.502 -11.285 1.00 1.34 H ATOM 102 HG23 THR A 7 2.259 9.806 -11.738 1.00 63.31 H ATOM 103 N THR A 8 7.178 9.779 -13.772 1.00 1.00 N ATOM 104 CA THR A 8 8.156 10.228 -14.757 1.00 60.33 C ATOM 105 C THR A 8 8.935 9.052 -15.332 1.00 53.42 C ATOM 106 O THR A 8 9.482 9.135 -16.432 1.00 64.45 O ATOM 107 CB THR A 8 9.146 11.236 -14.145 1.00 54.50 C ATOM 108 OG1 THR A 8 10.016 11.745 -15.161 1.00 44.03 O ATOM 109 CG2 THR A 8 9.969 10.587 -13.043 1.00 4.11 C ATOM 110 H THR A 8 7.339 9.957 -12.822 1.00 15.32 H ATOM 111 HA THR A 8 7.621 10.718 -15.557 1.00 2.23 H ATOM 112 HB THR A 8 8.584 12.055 -13.719 1.00 41.13 H ATOM 113 HG1 THR A 8 10.731 11.122 -15.312 1.00 42.43 H ATOM 114 HG21 THR A 8 10.018 11.250 -12.192 1.00 54.43 H ATOM 115 HG22 THR A 8 10.967 10.392 -13.407 1.00 2.14 H ATOM 116 HG23 THR A 8 9.505 9.657 -12.749 1.00 74.13 H ATOM 117 N ASP A 9 8.984 7.955 -14.582 1.00 21.34 N ATOM 118 CA ASP A 9 9.696 6.761 -15.020 1.00 12.04 C ATOM 119 C ASP A 9 8.782 5.849 -15.832 1.00 61.42 C ATOM 120 O ASP A 9 7.650 5.573 -15.434 1.00 12.44 O ATOM 121 CB ASP A 9 10.252 6.003 -13.813 1.00 52.22 C ATOM 122 CG ASP A 9 11.170 6.859 -12.963 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.586 6.392 -11.883 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.472 7.997 -13.380 1.00 44.10 O1- ATOM 125 H ASP A 9 8.528 7.950 -13.714 1.00 2.15 H ATOM 126 HA ASP A 9 10.518 7.075 -15.645 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.430 5.668 -13.197 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.809 5.145 -14.161 1.00 52.11 H ATOM 129 N HIS A 10 9.281 5.385 -16.973 1.00 43.01 N ATOM 130 CA HIS A 10 8.508 4.504 -17.843 1.00 62.24 C ATOM 131 C HIS A 10 8.817 3.040 -17.546 1.00 53.43 C ATOM 132 O HIS A 10 7.936 2.184 -17.618 1.00 31.54 O ATOM 133 CB HIS A 10 8.806 4.813 -19.310 1.00 31.21 C ATOM 134 CG HIS A 10 8.567 6.244 -19.682 1.00 13.22 C ATOM 135 ND1 HIS A 10 7.375 6.698 -20.206 1.00 61.15 N ATOM 136 CD2 HIS A 10 9.377 7.326 -19.601 1.00 41.34 C ATOM 137 CE1 HIS A 10 7.462 7.996 -20.433 1.00 72.53 C ATOM 138 NE2 HIS A 10 8.667 8.402 -20.074 1.00 64.11 N ATOM 139 H HIS A 10 10.189 5.640 -17.237 1.00 40.51 H ATOM 140 HA HIS A 10 7.461 4.684 -17.652 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.840 4.584 -19.517 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.175 4.197 -19.936 1.00 4.24 H ATOM 143 HD1 HIS A 10 6.583 6.149 -20.385 1.00 3.22 H ATOM 144 HD2 HIS A 10 10.394 7.341 -19.234 1.00 74.25 H ATOM 145 HE1 HIS A 10 6.682 8.620 -20.841 1.00 61.01 H ATOM 146 N GLN A 11 10.073 2.760 -17.213 1.00 53.33 N ATOM 147 CA GLN A 11 10.497 1.400 -16.906 1.00 74.14 C ATOM 148 C GLN A 11 10.143 1.029 -15.470 1.00 32.21 C ATOM 149 O GLN A 11 10.160 -0.143 -15.099 1.00 21.34 O ATOM 150 CB GLN A 11 12.003 1.251 -17.128 1.00 43.54 C ATOM 151 CG GLN A 11 12.834 2.269 -16.365 1.00 43.54 C ATOM 152 CD GLN A 11 14.246 1.787 -16.096 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.469 0.931 -15.240 1.00 53.20 O ATOM 154 NE2 GLN A 11 15.209 2.335 -16.829 1.00 34.11 N ATOM 155 H GLN A 11 10.729 3.487 -17.173 1.00 21.03 H ATOM 156 HA GLN A 11 9.976 0.732 -17.576 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.305 0.262 -16.813 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.213 1.364 -18.182 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.886 3.179 -16.944 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.352 2.472 -15.420 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.956 3.013 -17.491 1.00 15.12 H ATOM 162 HE22 GLN A 11 16.131 2.043 -16.675 1.00 62.42 H ATOM 163 N MET A 12 9.824 2.038 -14.666 1.00 45.43 N ATOM 164 CA MET A 12 9.465 1.817 -13.269 1.00 41.10 C ATOM 165 C MET A 12 8.192 0.985 -13.160 1.00 14.12 C ATOM 166 O MET A 12 8.094 0.090 -12.322 1.00 20.41 O ATOM 167 CB MET A 12 9.277 3.155 -12.552 1.00 13.42 C ATOM 168 CG MET A 12 8.875 3.011 -11.093 1.00 3.42 C ATOM 169 SD MET A 12 10.222 2.404 -10.059 1.00 34.23 S ATOM 170 CE MET A 12 9.529 0.860 -9.472 1.00 44.15 C ATOM 171 H MET A 12 9.828 2.952 -15.018 1.00 23.24 H ATOM 172 HA MET A 12 10.275 1.279 -12.801 1.00 24.11 H ATOM 173 HB2 MET A 12 10.204 3.707 -12.595 1.00 10.25 H ATOM 174 HB3 MET A 12 8.508 3.719 -13.059 1.00 64.23 H ATOM 175 HG2 MET A 12 8.563 3.975 -10.722 1.00 14.24 H ATOM 176 HG3 MET A 12 8.049 2.318 -11.028 1.00 32.30 H ATOM 177 HE1 MET A 12 10.266 0.076 -9.564 1.00 33.32 H ATOM 178 HE2 MET A 12 9.242 0.965 -8.436 1.00 73.40 H ATOM 179 HE3 MET A 12 8.661 0.608 -10.064 1.00 50.41 H ATOM 180 N ALA A 13 7.217 1.287 -14.012 1.00 20.32 N ATOM 181 CA ALA A 13 5.951 0.566 -14.013 1.00 61.02 C ATOM 182 C ALA A 13 6.177 -0.941 -14.084 1.00 65.44 C ATOM 183 O ALA A 13 5.432 -1.718 -13.489 1.00 61.00 O ATOM 184 CB ALA A 13 5.080 1.027 -15.173 1.00 41.50 C ATOM 185 H ALA A 13 7.354 2.012 -14.658 1.00 54.24 H ATOM 186 HA ALA A 13 5.435 0.799 -13.093 1.00 40.02 H ATOM 187 HB1 ALA A 13 5.707 1.248 -16.025 1.00 4.12 H ATOM 188 HB2 ALA A 13 4.384 0.244 -15.432 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.537 1.913 -14.884 1.00 41.25 H ATOM 190 N ARG A 14 7.211 -1.345 -14.816 1.00 61.42 N ATOM 191 CA ARG A 14 7.533 -2.758 -14.966 1.00 4.12 C ATOM 192 C ARG A 14 7.633 -3.442 -13.606 1.00 73.12 C ATOM 193 O ARG A 14 7.041 -4.498 -13.385 1.00 51.32 O ATOM 194 CB ARG A 14 8.849 -2.924 -15.729 1.00 70.30 C ATOM 195 CG ARG A 14 9.039 -4.311 -16.322 1.00 3.53 C ATOM 196 CD ARG A 14 9.598 -5.284 -15.295 1.00 31.05 C ATOM 197 NE ARG A 14 10.320 -6.387 -15.922 1.00 71.02 N ATOM 198 CZ ARG A 14 11.573 -6.294 -16.353 1.00 73.14 C ATOM 199 NH1 ARG A 14 12.240 -5.156 -16.223 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 12.163 -7.342 -16.914 1.00 43.21 N ATOM 201 H ARG A 14 7.768 -0.676 -15.266 1.00 11.41 H ATOM 202 HA ARG A 14 6.739 -3.222 -15.532 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.878 -2.206 -16.535 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.669 -2.730 -15.055 1.00 32.32 H ATOM 205 HG2 ARG A 14 8.083 -4.678 -16.667 1.00 14.32 H ATOM 206 HG3 ARG A 14 9.724 -4.246 -17.153 1.00 64.15 H ATOM 207 HD2 ARG A 14 10.272 -4.750 -14.642 1.00 2.11 H ATOM 208 HD3 ARG A 14 8.778 -5.685 -14.717 1.00 61.05 H ATOM 209 HE ARG A 14 9.846 -7.238 -16.029 1.00 12.31 H ATOM 210 HH11 ARG A 14 11.798 -4.364 -15.800 1.00 13.11 H ATOM 211 HH12 ARG A 14 13.184 -5.088 -16.547 1.00 54.33 H ATOM 212 HH21 ARG A 14 11.664 -8.203 -17.013 1.00 3.13 H ATOM 213 HH22 ARG A 14 13.106 -7.271 -17.237 1.00 22.33 H ATOM 214 N LYS A 15 8.385 -2.831 -12.696 1.00 53.05 N ATOM 215 CA LYS A 15 8.562 -3.378 -11.357 1.00 32.42 C ATOM 216 C LYS A 15 7.272 -3.268 -10.549 1.00 33.31 C ATOM 217 O LYS A 15 6.896 -4.196 -9.832 1.00 53.12 O ATOM 218 CB LYS A 15 9.694 -2.648 -10.631 1.00 1.14 C ATOM 219 CG LYS A 15 11.062 -2.880 -11.250 1.00 62.52 C ATOM 220 CD LYS A 15 12.018 -1.742 -10.933 1.00 62.43 C ATOM 221 CE LYS A 15 11.847 -0.584 -11.904 1.00 42.23 C ATOM 222 NZ LYS A 15 13.159 -0.043 -12.356 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.832 -1.990 -12.932 1.00 5.22 H ATOM 224 HA LYS A 15 8.822 -4.421 -11.456 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.492 -1.588 -10.645 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.726 -2.986 -9.605 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.472 -3.800 -10.860 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.953 -2.959 -12.322 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.824 -1.389 -9.931 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.033 -2.108 -10.997 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.295 -0.930 -12.764 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.293 0.202 -11.412 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.883 -0.203 -11.627 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.081 0.979 -12.534 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.456 -0.513 -13.235 1.00 5.34 H ATOM 236 N CYS A 16 6.600 -2.129 -10.670 1.00 3.31 N ATOM 237 CA CYS A 16 5.352 -1.896 -9.952 1.00 42.35 C ATOM 238 C CYS A 16 4.383 -3.057 -10.158 1.00 44.12 C ATOM 239 O CYS A 16 3.659 -3.445 -9.240 1.00 25.33 O ATOM 240 CB CYS A 16 4.706 -0.591 -10.419 1.00 33.01 C ATOM 241 SG CYS A 16 2.972 -0.390 -9.897 1.00 23.31 S ATOM 242 H CYS A 16 6.951 -1.425 -11.257 1.00 60.30 H ATOM 243 HA CYS A 16 5.583 -1.818 -8.901 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.267 0.242 -10.019 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.732 -0.550 -11.498 1.00 1.13 H ATOM 246 N ASP A 17 4.375 -3.608 -11.367 1.00 30.21 N ATOM 247 CA ASP A 17 3.496 -4.725 -11.693 1.00 74.33 C ATOM 248 C ASP A 17 4.027 -6.025 -11.097 1.00 20.44 C ATOM 249 O ASP A 17 3.256 -6.875 -10.650 1.00 54.11 O ATOM 250 CB ASP A 17 3.356 -4.865 -13.209 1.00 61.34 C ATOM 251 CG ASP A 17 3.082 -3.539 -13.890 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.416 -3.406 -15.087 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.534 -2.634 -13.228 1.00 73.12 O1- ATOM 254 H ASP A 17 4.975 -3.254 -12.056 1.00 20.24 H ATOM 255 HA ASP A 17 2.526 -4.519 -11.268 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.272 -5.274 -13.613 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.539 -5.538 -13.428 1.00 43.02 H ATOM 258 N ASP A 18 5.347 -6.173 -11.094 1.00 1.53 N ATOM 259 CA ASP A 18 5.980 -7.370 -10.552 1.00 43.23 C ATOM 260 C ASP A 18 5.706 -7.502 -9.058 1.00 73.15 C ATOM 261 O ASP A 18 5.290 -8.559 -8.583 1.00 70.42 O ATOM 262 CB ASP A 18 7.489 -7.334 -10.806 1.00 12.25 C ATOM 263 CG ASP A 18 8.086 -8.720 -10.951 1.00 72.42 C ATOM 264 OD1 ASP A 18 9.106 -8.999 -10.289 1.00 72.02 O ATOM 265 OD2 ASP A 18 7.531 -9.525 -11.728 1.00 1.52 O1- ATOM 266 H ASP A 18 5.909 -5.461 -11.465 1.00 42.55 H ATOM 267 HA ASP A 18 5.561 -8.226 -11.060 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.682 -6.781 -11.714 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.974 -6.837 -9.978 1.00 23.01 H ATOM 270 N CYS A 19 5.942 -6.421 -8.321 1.00 74.32 N ATOM 271 CA CYS A 19 5.722 -6.415 -6.880 1.00 61.35 C ATOM 272 C CYS A 19 4.304 -6.868 -6.544 1.00 64.12 C ATOM 273 O CYS A 19 4.076 -7.537 -5.535 1.00 71.41 O ATOM 274 CB CYS A 19 5.970 -5.017 -6.311 1.00 12.25 C ATOM 275 SG CYS A 19 6.454 -5.004 -4.555 1.00 61.50 S ATOM 276 H CYS A 19 6.273 -5.607 -8.757 1.00 52.24 H ATOM 277 HA CYS A 19 6.421 -7.106 -6.435 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.762 -4.544 -6.873 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.068 -4.432 -6.408 1.00 44.30 H ATOM 280 N CYS A 20 3.353 -6.500 -7.397 1.00 43.21 N ATOM 281 CA CYS A 20 1.958 -6.868 -7.193 1.00 13.54 C ATOM 282 C CYS A 20 1.744 -8.357 -7.447 1.00 3.21 C ATOM 283 O CYS A 20 0.839 -8.970 -6.884 1.00 31.20 O ATOM 284 CB CYS A 20 1.053 -6.046 -8.112 1.00 71.44 C ATOM 285 SG CYS A 20 1.061 -4.258 -7.762 1.00 62.14 S ATOM 286 H CYS A 20 3.597 -5.968 -8.184 1.00 13.34 H ATOM 287 HA CYS A 20 1.705 -6.651 -6.166 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.374 -6.181 -9.135 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.035 -6.397 -8.011 1.00 54.53 H ATOM 290 N GLY A 21 2.585 -8.932 -8.302 1.00 71.21 N ATOM 291 CA GLY A 21 2.472 -10.344 -8.618 1.00 63.31 C ATOM 292 C GLY A 21 3.261 -10.726 -9.854 1.00 31.25 C ATOM 293 O GLY A 21 4.294 -11.388 -9.759 1.00 4.44 O ATOM 294 H GLY A 21 3.288 -8.393 -8.722 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.835 -10.919 -7.779 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.431 -10.582 -8.781 1.00 45.10 H ATOM 297 N GLY A 22 2.772 -10.311 -11.018 1.00 45.41 N ATOM 298 CA GLY A 22 3.451 -10.627 -12.262 1.00 34.14 C ATOM 299 C GLY A 22 3.225 -9.572 -13.329 1.00 73.32 C ATOM 300 O GLY A 22 2.423 -8.655 -13.147 1.00 61.24 O ATOM 301 H GLY A 22 1.944 -9.787 -11.033 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.510 -10.709 -12.071 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.086 -11.575 -12.628 1.00 24.21 H ATOM 304 N LYS A 23 3.935 -9.701 -14.445 1.00 3.23 N ATOM 305 CA LYS A 23 3.808 -8.752 -15.545 1.00 20.35 C ATOM 306 C LYS A 23 2.347 -8.571 -15.943 1.00 22.43 C ATOM 307 O LYS A 23 1.683 -9.521 -16.353 1.00 2.32 O ATOM 308 CB LYS A 23 4.621 -9.229 -16.751 1.00 72.33 C ATOM 309 CG LYS A 23 4.841 -8.153 -17.800 1.00 64.12 C ATOM 310 CD LYS A 23 6.080 -7.325 -17.500 1.00 52.32 C ATOM 311 CE LYS A 23 7.329 -7.957 -18.096 1.00 45.02 C ATOM 312 NZ LYS A 23 7.913 -8.988 -17.194 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.557 -10.453 -14.531 1.00 3.22 H ATOM 314 HA LYS A 23 4.199 -7.803 -15.211 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.587 -9.570 -16.407 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.102 -10.055 -17.216 1.00 10.51 H ATOM 317 HG2 LYS A 23 4.959 -8.622 -18.765 1.00 33.44 H ATOM 318 HG3 LYS A 23 3.979 -7.500 -17.819 1.00 3.51 H ATOM 319 HD2 LYS A 23 5.954 -6.338 -17.920 1.00 62.25 H ATOM 320 HD3 LYS A 23 6.200 -7.251 -16.428 1.00 13.45 H ATOM 321 HE2 LYS A 23 7.070 -8.418 -19.036 1.00 23.11 H ATOM 322 HE3 LYS A 23 8.062 -7.181 -18.266 1.00 53.04 H ATOM 323 HZ1 LYS A 23 7.471 -9.911 -17.374 1.00 22.05 H ATOM 324 HZ2 LYS A 23 7.750 -8.726 -16.201 1.00 23.14 H ATOM 325 HZ3 LYS A 23 8.936 -9.067 -17.358 1.00 40.52 H ATOM 326 N GLY A 24 1.853 -7.343 -15.819 1.00 4.40 N ATOM 327 CA GLY A 24 0.475 -7.059 -16.172 1.00 75.05 C ATOM 328 C GLY A 24 -0.416 -6.912 -14.954 1.00 42.01 C ATOM 329 O GLY A 24 -1.493 -6.319 -15.032 1.00 52.53 O ATOM 330 H GLY A 24 2.430 -6.623 -15.487 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.441 -6.143 -16.742 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.098 -7.865 -16.783 1.00 2.34 H ATOM 333 N ARG A 25 0.032 -7.455 -13.826 1.00 15.22 N ATOM 334 CA ARG A 25 -0.734 -7.383 -12.587 1.00 10.45 C ATOM 335 C ARG A 25 -0.315 -6.173 -11.758 1.00 52.41 C ATOM 336 O ARG A 25 0.843 -6.052 -11.359 1.00 73.24 O ATOM 337 CB ARG A 25 -0.546 -8.663 -11.772 1.00 71.43 C ATOM 338 CG ARG A 25 -0.568 -9.930 -12.613 1.00 22.35 C ATOM 339 CD ARG A 25 -1.187 -11.093 -11.852 1.00 4.34 C ATOM 340 NE ARG A 25 -1.822 -12.057 -12.748 1.00 25.31 N ATOM 341 CZ ARG A 25 -1.147 -12.842 -13.579 1.00 43.12 C ATOM 342 NH1 ARG A 25 0.176 -12.780 -13.629 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -1.796 -13.694 -14.363 1.00 50.14 N ATOM 344 H ARG A 25 0.897 -7.914 -13.827 1.00 43.44 H ATOM 345 HA ARG A 25 -1.778 -7.283 -12.847 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.404 -8.615 -11.261 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.337 -8.729 -11.040 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.149 -9.748 -13.506 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.445 -10.187 -12.886 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.410 -11.594 -11.293 1.00 43.41 H ATOM 351 HD3 ARG A 25 -1.928 -10.705 -11.171 1.00 72.52 H ATOM 352 HE ARG A 25 -2.799 -12.118 -12.727 1.00 71.42 H ATOM 353 HH11 ARG A 25 0.668 -12.141 -13.039 1.00 14.34 H ATOM 354 HH12 ARG A 25 0.682 -13.375 -14.255 1.00 2.50 H ATOM 355 HH21 ARG A 25 -2.795 -13.743 -14.327 1.00 12.23 H ATOM 356 HH22 ARG A 25 -1.289 -14.285 -14.988 1.00 22.24 H ATOM 357 N GLY A 26 -1.266 -5.279 -11.502 1.00 12.23 N ATOM 358 CA GLY A 26 -0.975 -4.090 -10.723 1.00 3.25 C ATOM 359 C GLY A 26 -1.147 -2.815 -11.525 1.00 24.32 C ATOM 360 O GLY A 26 -1.500 -2.856 -12.703 1.00 11.13 O ATOM 361 H GLY A 26 -2.171 -5.428 -11.847 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.640 -4.060 -9.872 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.043 -4.145 -10.369 1.00 64.11 H ATOM 364 N LYS A 27 -0.897 -1.678 -10.884 1.00 24.11 N ATOM 365 CA LYS A 27 -1.024 -0.384 -11.545 1.00 32.04 C ATOM 366 C LYS A 27 -0.185 0.674 -10.836 1.00 61.25 C ATOM 367 O LYS A 27 0.053 0.588 -9.631 1.00 41.23 O ATOM 368 CB LYS A 27 -2.491 0.052 -11.577 1.00 32.44 C ATOM 369 CG LYS A 27 -2.903 0.705 -12.885 1.00 22.41 C ATOM 370 CD LYS A 27 -4.354 0.406 -13.226 1.00 55.25 C ATOM 371 CE LYS A 27 -4.483 -0.878 -14.029 1.00 3.41 C ATOM 372 NZ LYS A 27 -4.655 -2.068 -13.151 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.618 -1.710 -9.944 1.00 41.42 H ATOM 374 HA LYS A 27 -0.667 -0.491 -12.557 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.115 -0.814 -11.419 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.661 0.758 -10.777 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.777 1.775 -12.798 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.272 0.330 -13.678 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.915 0.302 -12.309 1.00 4.44 H ATOM 380 HD3 LYS A 27 -4.754 1.226 -13.805 1.00 42.23 H ATOM 381 HE2 LYS A 27 -5.341 -0.795 -14.679 1.00 23.42 H ATOM 382 HE3 LYS A 27 -3.591 -1.006 -14.625 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -5.301 -2.751 -13.596 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -5.052 -1.780 -12.233 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -3.737 -2.529 -12.990 1.00 22.22 H ATOM 386 N CYS A 28 0.263 1.672 -11.591 1.00 33.30 N ATOM 387 CA CYS A 28 1.076 2.747 -11.036 1.00 64.20 C ATOM 388 C CYS A 28 0.254 4.023 -10.874 1.00 13.13 C ATOM 389 O CYS A 28 -0.102 4.673 -11.857 1.00 62.20 O ATOM 390 CB CYS A 28 2.284 3.017 -11.934 1.00 65.11 C ATOM 391 SG CYS A 28 3.487 4.191 -11.230 1.00 14.21 S ATOM 392 H CYS A 28 0.040 1.685 -12.546 1.00 41.24 H ATOM 393 HA CYS A 28 1.424 2.432 -10.065 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.802 2.087 -12.117 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.941 3.421 -12.875 1.00 4.33 H ATOM 396 N TYR A 29 -0.045 4.372 -9.628 1.00 12.13 N ATOM 397 CA TYR A 29 -0.827 5.568 -9.337 1.00 54.10 C ATOM 398 C TYR A 29 -0.076 6.491 -8.381 1.00 74.01 C ATOM 399 O TYR A 29 0.059 6.198 -7.195 1.00 21.41 O ATOM 400 CB TYR A 29 -2.180 5.185 -8.735 1.00 42.54 C ATOM 401 CG TYR A 29 -3.129 4.557 -9.730 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.579 3.252 -9.565 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.577 5.268 -10.837 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.445 2.675 -10.472 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.445 4.699 -11.748 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.876 3.403 -11.562 1.00 13.41 C ATOM 407 OH TYR A 29 -5.740 2.831 -12.468 1.00 30.43 O ATOM 408 H TYR A 29 0.266 3.814 -8.887 1.00 31.15 H ATOM 409 HA TYR A 29 -0.993 6.091 -10.268 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.023 4.477 -7.935 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.654 6.070 -8.338 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.240 2.686 -8.709 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.238 6.284 -10.980 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.783 1.660 -10.326 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.781 5.268 -12.603 1.00 70.25 H ATOM 416 HH TYR A 29 -5.857 3.422 -13.216 1.00 34.11 H ATOM 417 N GLY A 30 0.411 7.610 -8.910 1.00 73.23 N ATOM 418 CA GLY A 30 1.142 8.560 -8.092 1.00 75.55 C ATOM 419 C GLY A 30 2.549 8.091 -7.776 1.00 55.41 C ATOM 420 O GLY A 30 3.129 7.274 -8.492 1.00 44.54 O ATOM 421 H GLY A 30 0.273 7.792 -9.863 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.196 9.502 -8.615 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.608 8.704 -7.164 1.00 4.20 H ATOM 424 N PRO A 31 3.119 8.616 -6.681 1.00 73.33 N ATOM 425 CA PRO A 31 4.475 8.261 -6.248 1.00 43.14 C ATOM 426 C PRO A 31 4.562 6.830 -5.728 1.00 12.34 C ATOM 427 O PRO A 31 5.643 6.246 -5.671 1.00 71.01 O ATOM 428 CB PRO A 31 4.759 9.258 -5.122 1.00 11.54 C ATOM 429 CG PRO A 31 3.416 9.633 -4.600 1.00 21.14 C ATOM 430 CD PRO A 31 2.486 9.595 -5.782 1.00 72.01 C ATOM 431 HA PRO A 31 5.194 8.398 -7.043 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.361 8.783 -4.361 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.282 10.115 -5.519 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.101 8.922 -3.851 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.449 10.629 -4.183 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.505 9.261 -5.479 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.429 10.566 -6.249 1.00 34.24 H ATOM 438 N GLN A 32 3.416 6.273 -5.349 1.00 24.42 N ATOM 439 CA GLN A 32 3.364 4.910 -4.833 1.00 72.22 C ATOM 440 C GLN A 32 2.683 3.977 -5.827 1.00 34.31 C ATOM 441 O GLN A 32 1.856 4.407 -6.633 1.00 54.23 O ATOM 442 CB GLN A 32 2.623 4.877 -3.495 1.00 24.33 C ATOM 443 CG GLN A 32 3.154 5.877 -2.480 1.00 54.33 C ATOM 444 CD GLN A 32 4.479 5.450 -1.877 1.00 11.12 C ATOM 445 OE1 GLN A 32 4.548 5.071 -0.708 1.00 63.11 O ATOM 446 NE2 GLN A 32 5.539 5.508 -2.675 1.00 54.22 N ATOM 447 H GLN A 32 2.586 6.790 -5.417 1.00 31.43 H ATOM 448 HA GLN A 32 4.379 4.575 -4.680 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.580 5.092 -3.669 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.712 3.887 -3.072 1.00 42.10 H ATOM 451 HG2 GLN A 32 3.291 6.830 -2.971 1.00 35.42 H ATOM 452 HG3 GLN A 32 2.431 5.983 -1.685 1.00 4.55 H ATOM 453 HE21 GLN A 32 5.408 5.820 -3.596 1.00 11.44 H ATOM 454 HE22 GLN A 32 6.407 5.238 -2.312 1.00 14.22 H ATOM 455 N CYS A 33 3.034 2.696 -5.767 1.00 31.22 N ATOM 456 CA CYS A 33 2.458 1.702 -6.663 1.00 4.23 C ATOM 457 C CYS A 33 1.257 1.018 -6.015 1.00 42.43 C ATOM 458 O CYS A 33 1.383 0.378 -4.971 1.00 3.41 O ATOM 459 CB CYS A 33 3.510 0.658 -7.044 1.00 45.11 C ATOM 460 SG CYS A 33 2.841 -0.776 -7.947 1.00 44.02 S ATOM 461 H CYS A 33 3.699 2.414 -5.103 1.00 11.45 H ATOM 462 HA CYS A 33 2.128 2.211 -7.556 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.255 1.123 -7.673 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.983 0.290 -6.146 1.00 63.41 H ATOM 465 N LEU A 34 0.095 1.156 -6.643 1.00 13.22 N ATOM 466 CA LEU A 34 -1.129 0.551 -6.129 1.00 63.23 C ATOM 467 C LEU A 34 -1.564 -0.623 -7.001 1.00 51.42 C ATOM 468 O LEU A 34 -1.824 -0.460 -8.194 1.00 24.01 O ATOM 469 CB LEU A 34 -2.247 1.593 -6.062 1.00 32.10 C ATOM 470 CG LEU A 34 -1.831 2.996 -5.617 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.039 3.919 -5.564 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.137 2.943 -4.264 1.00 70.22 C ATOM 473 H LEU A 34 0.058 1.678 -7.472 1.00 45.35 H ATOM 474 HA LEU A 34 -0.926 0.187 -5.133 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.684 1.673 -7.045 1.00 35.14 H ATOM 476 HB3 LEU A 34 -2.993 1.232 -5.367 1.00 40.13 H ATOM 477 HG LEU A 34 -1.132 3.402 -6.336 1.00 15.14 H ATOM 478 HD11 LEU A 34 -3.652 3.761 -6.438 1.00 55.34 H ATOM 479 HD12 LEU A 34 -2.706 4.946 -5.539 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.615 3.706 -4.676 1.00 51.04 H ATOM 481 HD21 LEU A 34 -1.095 1.919 -3.922 1.00 53.03 H ATOM 482 HD22 LEU A 34 -1.692 3.538 -3.552 1.00 13.11 H ATOM 483 HD23 LEU A 34 -0.136 3.334 -4.357 1.00 72.45 H ATOM 484 N CYS A 35 -1.644 -1.803 -6.397 1.00 55.40 N ATOM 485 CA CYS A 35 -2.050 -3.004 -7.117 1.00 1.13 C ATOM 486 C CYS A 35 -3.564 -3.045 -7.300 1.00 11.13 C ATOM 487 O CYS A 35 -4.311 -2.490 -6.493 1.00 45.25 O ATOM 488 CB CYS A 35 -1.582 -4.255 -6.370 1.00 3.52 C ATOM 489 SG CYS A 35 0.181 -4.229 -5.908 1.00 24.35 S ATOM 490 H CYS A 35 -1.424 -1.869 -5.444 1.00 32.23 H ATOM 491 HA CYS A 35 -1.583 -2.982 -8.091 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.157 -4.358 -5.462 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.746 -5.120 -6.995 1.00 43.25 H ATOM 494 N ARG A 36 -4.010 -3.705 -8.364 1.00 44.14 N ATOM 495 CA ARG A 36 -5.434 -3.816 -8.652 1.00 13.02 C ATOM 496 C ARG A 36 -6.191 -4.368 -7.447 1.00 4.24 C ATOM 497 O ARG A 36 -7.308 -3.941 -7.154 1.00 54.12 O ATOM 498 CB ARG A 36 -5.661 -4.717 -9.867 1.00 3.14 C ATOM 499 CG ARG A 36 -4.957 -6.061 -9.770 1.00 65.30 C ATOM 500 CD ARG A 36 -5.934 -7.215 -9.930 1.00 44.00 C ATOM 501 NE ARG A 36 -6.690 -7.122 -11.176 1.00 13.52 N ATOM 502 CZ ARG A 36 -6.205 -7.478 -12.360 1.00 42.43 C ATOM 503 NH1 ARG A 36 -4.969 -7.949 -12.458 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -6.955 -7.364 -13.448 1.00 4.52 N ATOM 505 H ARG A 36 -3.365 -4.126 -8.969 1.00 31.33 H ATOM 506 HA ARG A 36 -5.807 -2.827 -8.873 1.00 52.22 H ATOM 507 HB2 ARG A 36 -6.721 -4.898 -9.975 1.00 23.53 H ATOM 508 HB3 ARG A 36 -5.300 -4.209 -10.749 1.00 62.10 H ATOM 509 HG2 ARG A 36 -4.212 -6.123 -10.549 1.00 51.50 H ATOM 510 HG3 ARG A 36 -4.479 -6.136 -8.805 1.00 2.40 H ATOM 511 HD2 ARG A 36 -5.379 -8.141 -9.925 1.00 3.43 H ATOM 512 HD3 ARG A 36 -6.623 -7.203 -9.099 1.00 43.42 H ATOM 513 HE ARG A 36 -7.606 -6.776 -11.126 1.00 5.53 H ATOM 514 HH11 ARG A 36 -4.402 -8.037 -11.639 1.00 32.41 H ATOM 515 HH12 ARG A 36 -4.606 -8.218 -13.350 1.00 50.15 H ATOM 516 HH21 ARG A 36 -7.887 -7.010 -13.377 1.00 24.15 H ATOM 517 HH22 ARG A 36 -6.589 -7.633 -14.338 1.00 1.54 H TER 518 ARG A 36