ATOM 1 N MET A 1 1.390 0.048 0.134 1.00 61.14 N ATOM 2 CA MET A 1 2.123 0.054 -1.127 1.00 54.30 C ATOM 3 C MET A 1 3.216 -1.009 -1.125 1.00 10.41 C ATOM 4 O MET A 1 3.934 -1.174 -0.138 1.00 3.43 O ATOM 5 CB MET A 1 2.735 1.433 -1.379 1.00 20.22 C ATOM 6 CG MET A 1 3.660 1.899 -0.267 1.00 1.40 C ATOM 7 SD MET A 1 5.392 1.523 -0.601 1.00 51.55 S ATOM 8 CE MET A 1 6.155 3.107 -0.262 1.00 35.22 C ATOM 9 H MET A 1 1.885 -0.056 0.973 1.00 74.14 H ATOM 10 HA MET A 1 1.422 -0.168 -1.918 1.00 15.40 H ATOM 11 HB2 MET A 1 3.300 1.400 -2.298 1.00 4.54 H ATOM 12 HB3 MET A 1 1.938 2.155 -1.481 1.00 14.14 H ATOM 13 HG2 MET A 1 3.556 2.968 -0.153 1.00 54.45 H ATOM 14 HG3 MET A 1 3.370 1.411 0.652 1.00 12.20 H ATOM 15 HE1 MET A 1 6.374 3.183 0.793 1.00 22.11 H ATOM 16 HE2 MET A 1 7.071 3.194 -0.827 1.00 11.55 H ATOM 17 HE3 MET A 1 5.479 3.900 -0.548 1.00 61.33 H ATOM 18 N CYS A 2 3.339 -1.727 -2.236 1.00 65.22 N ATOM 19 CA CYS A 2 4.344 -2.775 -2.363 1.00 20.05 C ATOM 20 C CYS A 2 5.710 -2.181 -2.696 1.00 4.54 C ATOM 21 O CYS A 2 6.741 -2.676 -2.242 1.00 4.35 O ATOM 22 CB CYS A 2 3.934 -3.777 -3.444 1.00 63.23 C ATOM 23 SG CYS A 2 4.909 -5.316 -3.440 1.00 13.21 S ATOM 24 H CYS A 2 2.736 -1.549 -2.990 1.00 75.25 H ATOM 25 HA CYS A 2 4.410 -3.288 -1.416 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.897 -4.045 -3.302 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.051 -3.316 -4.414 1.00 71.35 H ATOM 28 N MET A 3 5.708 -1.117 -3.491 1.00 45.01 N ATOM 29 CA MET A 3 6.946 -0.454 -3.883 1.00 52.23 C ATOM 30 C MET A 3 6.665 0.941 -4.434 1.00 23.10 C ATOM 31 O MET A 3 5.579 1.229 -4.937 1.00 20.11 O ATOM 32 CB MET A 3 7.686 -1.288 -4.930 1.00 74.12 C ATOM 33 CG MET A 3 7.111 -1.155 -6.332 1.00 63.41 C ATOM 34 SD MET A 3 8.030 -2.112 -7.553 1.00 2.44 S ATOM 35 CE MET A 3 9.682 -1.459 -7.323 1.00 45.55 C ATOM 36 H MET A 3 4.853 -0.767 -3.821 1.00 0.44 H ATOM 37 HA MET A 3 7.566 -0.362 -3.004 1.00 70.35 H ATOM 38 HB2 MET A 3 8.720 -0.976 -4.957 1.00 63.13 H ATOM 39 HB3 MET A 3 7.640 -2.328 -4.643 1.00 23.14 H ATOM 40 HG2 MET A 3 6.089 -1.499 -6.321 1.00 53.32 H ATOM 41 HG3 MET A 3 7.136 -0.113 -6.617 1.00 1.24 H ATOM 42 HE1 MET A 3 10.215 -2.069 -6.609 1.00 21.34 H ATOM 43 HE2 MET A 3 10.206 -1.466 -8.267 1.00 61.54 H ATOM 44 HE3 MET A 3 9.619 -0.444 -6.953 1.00 63.45 H ATOM 45 N PRO A 4 7.665 1.829 -4.338 1.00 22.41 N ATOM 46 CA PRO A 4 7.550 3.208 -4.821 1.00 23.31 C ATOM 47 C PRO A 4 7.496 3.286 -6.343 1.00 1.05 C ATOM 48 O PRO A 4 8.348 2.729 -7.035 1.00 42.21 O ATOM 49 CB PRO A 4 8.823 3.876 -4.297 1.00 25.11 C ATOM 50 CG PRO A 4 9.798 2.761 -4.138 1.00 51.45 C ATOM 51 CD PRO A 4 8.988 1.555 -3.751 1.00 11.41 C ATOM 52 HA PRO A 4 6.684 3.703 -4.406 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.171 4.607 -5.013 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.618 4.358 -3.353 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.310 2.585 -5.071 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.506 3.002 -3.359 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.419 0.659 -4.173 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.922 1.473 -2.676 1.00 72.12 H ATOM 59 N CYS A 5 6.488 3.982 -6.860 1.00 4.23 N ATOM 60 CA CYS A 5 6.321 4.134 -8.300 1.00 74.20 C ATOM 61 C CYS A 5 6.726 5.535 -8.749 1.00 64.10 C ATOM 62 O CYS A 5 6.931 6.428 -7.927 1.00 15.51 O ATOM 63 CB CYS A 5 4.871 3.857 -8.699 1.00 42.42 C ATOM 64 SG CYS A 5 4.691 2.990 -10.292 1.00 30.21 S ATOM 65 H CYS A 5 5.839 4.404 -6.257 1.00 1.03 H ATOM 66 HA CYS A 5 6.963 3.414 -8.786 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.407 3.245 -7.939 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.340 4.795 -8.772 1.00 14.14 H ATOM 69 N PHE A 6 6.838 5.720 -10.061 1.00 61.31 N ATOM 70 CA PHE A 6 7.218 7.013 -10.620 1.00 11.13 C ATOM 71 C PHE A 6 6.510 7.258 -11.950 1.00 22.31 C ATOM 72 O PHE A 6 6.663 6.489 -12.901 1.00 51.14 O ATOM 73 CB PHE A 6 8.734 7.080 -10.817 1.00 13.01 C ATOM 74 CG PHE A 6 9.503 7.153 -9.528 1.00 63.40 C ATOM 75 CD1 PHE A 6 9.905 8.374 -9.013 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.821 5.998 -8.831 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.613 8.442 -7.828 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.528 6.060 -7.644 1.00 22.35 C ATOM 79 CZ PHE A 6 10.923 7.284 -7.142 1.00 34.35 C ATOM 80 H PHE A 6 6.661 4.970 -10.667 1.00 73.13 H ATOM 81 HA PHE A 6 6.919 7.777 -9.921 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.061 6.201 -11.349 1.00 11.14 H ATOM 83 HB3 PHE A 6 8.975 7.958 -11.397 1.00 15.01 H ATOM 84 HD1 PHE A 6 9.663 9.281 -9.548 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.511 5.039 -9.223 1.00 2.12 H ATOM 86 HE1 PHE A 6 10.921 9.400 -7.436 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.769 5.152 -7.111 1.00 62.21 H ATOM 88 HZ PHE A 6 11.476 7.335 -6.216 1.00 51.43 H ATOM 89 N THR A 7 5.734 8.335 -12.009 1.00 52.30 N ATOM 90 CA THR A 7 5.000 8.683 -13.221 1.00 12.52 C ATOM 91 C THR A 7 5.951 9.082 -14.342 1.00 73.14 C ATOM 92 O THR A 7 5.704 8.790 -15.514 1.00 53.32 O ATOM 93 CB THR A 7 4.011 9.836 -12.967 1.00 60.31 C ATOM 94 OG1 THR A 7 4.728 11.043 -12.681 1.00 62.32 O ATOM 95 CG2 THR A 7 3.081 9.506 -11.808 1.00 21.32 C ATOM 96 H THR A 7 5.652 8.909 -11.219 1.00 2.23 H ATOM 97 HA THR A 7 4.438 7.815 -13.530 1.00 25.02 H ATOM 98 HB THR A 7 3.416 9.981 -13.856 1.00 13.03 H ATOM 99 HG1 THR A 7 4.407 11.747 -13.250 1.00 50.10 H ATOM 100 HG21 THR A 7 3.213 10.235 -11.022 1.00 33.24 H ATOM 101 HG22 THR A 7 3.314 8.522 -11.429 1.00 1.34 H ATOM 102 HG23 THR A 7 2.058 9.527 -12.151 1.00 63.31 H ATOM 103 N THR A 8 7.041 9.752 -13.980 1.00 1.00 N ATOM 104 CA THR A 8 8.029 10.192 -14.957 1.00 60.33 C ATOM 105 C THR A 8 8.846 9.016 -15.481 1.00 53.42 C ATOM 106 O THR A 8 9.413 9.079 -16.571 1.00 64.45 O ATOM 107 CB THR A 8 8.986 11.240 -14.356 1.00 54.50 C ATOM 108 OG1 THR A 8 9.878 11.724 -15.365 1.00 44.03 O ATOM 109 CG2 THR A 8 9.786 10.645 -13.207 1.00 4.11 C ATOM 110 H THR A 8 7.182 9.955 -13.031 1.00 15.32 H ATOM 111 HA THR A 8 7.502 10.648 -15.782 1.00 2.23 H ATOM 112 HB THR A 8 8.399 12.065 -13.977 1.00 41.13 H ATOM 113 HG1 THR A 8 10.384 12.462 -15.018 1.00 42.43 H ATOM 114 HG21 THR A 8 10.827 10.582 -13.488 1.00 54.43 H ATOM 115 HG22 THR A 8 9.413 9.657 -12.982 1.00 2.14 H ATOM 116 HG23 THR A 8 9.686 11.275 -12.336 1.00 74.13 H ATOM 117 N ASP A 9 8.901 7.944 -14.697 1.00 21.34 N ATOM 118 CA ASP A 9 9.646 6.753 -15.084 1.00 12.04 C ATOM 119 C ASP A 9 8.773 5.806 -15.901 1.00 61.42 C ATOM 120 O ASP A 9 7.636 5.515 -15.527 1.00 12.44 O ATOM 121 CB ASP A 9 10.178 6.034 -13.842 1.00 52.22 C ATOM 122 CG ASP A 9 11.026 6.937 -12.969 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.391 6.510 -11.852 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.325 8.069 -13.401 1.00 44.10 O1- ATOM 125 H ASP A 9 8.427 7.955 -13.839 1.00 2.15 H ATOM 126 HA ASP A 9 10.481 7.067 -15.692 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.343 5.676 -13.257 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.781 5.193 -14.152 1.00 52.11 H ATOM 129 N HIS A 10 9.311 5.328 -17.019 1.00 43.01 N ATOM 130 CA HIS A 10 8.581 4.414 -17.890 1.00 62.24 C ATOM 131 C HIS A 10 8.912 2.963 -17.553 1.00 53.43 C ATOM 132 O HIS A 10 8.053 2.086 -17.637 1.00 31.54 O ATOM 133 CB HIS A 10 8.911 4.700 -19.354 1.00 31.21 C ATOM 134 CG HIS A 10 8.092 5.804 -19.949 1.00 13.22 C ATOM 135 ND1 HIS A 10 8.642 6.976 -20.425 1.00 61.15 N ATOM 136 CD2 HIS A 10 6.757 5.910 -20.145 1.00 41.34 C ATOM 137 CE1 HIS A 10 7.680 7.755 -20.886 1.00 72.53 C ATOM 138 NE2 HIS A 10 6.527 7.131 -20.729 1.00 64.11 N ATOM 139 H HIS A 10 10.222 5.596 -17.263 1.00 40.51 H ATOM 140 HA HIS A 10 7.526 4.576 -17.729 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.951 4.978 -19.435 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.737 3.806 -19.937 1.00 4.24 H ATOM 143 HD1 HIS A 10 9.595 7.203 -20.423 1.00 3.22 H ATOM 144 HD2 HIS A 10 6.011 5.170 -19.890 1.00 74.25 H ATOM 145 HE1 HIS A 10 7.813 8.735 -21.319 1.00 61.01 H ATOM 146 N GLN A 11 10.163 2.719 -17.176 1.00 53.33 N ATOM 147 CA GLN A 11 10.607 1.373 -16.830 1.00 74.14 C ATOM 148 C GLN A 11 10.214 1.022 -15.399 1.00 32.21 C ATOM 149 O GLN A 11 10.245 -0.143 -15.006 1.00 21.34 O ATOM 150 CB GLN A 11 12.122 1.255 -17.000 1.00 43.54 C ATOM 151 CG GLN A 11 12.910 2.193 -16.100 1.00 43.54 C ATOM 152 CD GLN A 11 13.251 3.504 -16.781 1.00 64.12 C ATOM 153 OE1 GLN A 11 12.755 4.563 -16.398 1.00 53.20 O ATOM 154 NE2 GLN A 11 14.104 3.440 -17.797 1.00 34.11 N ATOM 155 H GLN A 11 10.802 3.460 -17.129 1.00 21.03 H ATOM 156 HA GLN A 11 10.123 0.682 -17.503 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.420 0.242 -16.774 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.376 1.476 -18.025 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.323 2.406 -15.219 1.00 63.04 H ATOM 160 HG3 GLN A 11 13.830 1.705 -15.810 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.459 2.561 -18.048 1.00 15.12 H ATOM 162 HE22 GLN A 11 14.341 4.271 -18.256 1.00 62.42 H ATOM 163 N MET A 12 9.846 2.038 -14.625 1.00 45.43 N ATOM 164 CA MET A 12 9.446 1.835 -13.237 1.00 41.10 C ATOM 165 C MET A 12 8.191 0.972 -13.154 1.00 14.12 C ATOM 166 O MET A 12 8.094 0.080 -12.311 1.00 20.41 O ATOM 167 CB MET A 12 9.199 3.181 -12.554 1.00 13.42 C ATOM 168 CG MET A 12 8.765 3.055 -11.102 1.00 3.42 C ATOM 169 SD MET A 12 10.075 2.421 -10.038 1.00 34.23 S ATOM 170 CE MET A 12 9.347 0.881 -9.485 1.00 44.15 C ATOM 171 H MET A 12 9.842 2.945 -14.996 1.00 23.24 H ATOM 172 HA MET A 12 10.253 1.327 -12.731 1.00 24.11 H ATOM 173 HB2 MET A 12 10.111 3.760 -12.585 1.00 10.25 H ATOM 174 HB3 MET A 12 8.428 3.709 -13.092 1.00 64.23 H ATOM 175 HG2 MET A 12 8.469 4.029 -10.742 1.00 14.24 H ATOM 176 HG3 MET A 12 7.922 2.383 -11.051 1.00 32.30 H ATOM 177 HE1 MET A 12 10.070 0.085 -9.584 1.00 33.32 H ATOM 178 HE2 MET A 12 9.052 0.974 -8.450 1.00 73.40 H ATOM 179 HE3 MET A 12 8.480 0.657 -10.088 1.00 50.41 H ATOM 180 N ALA A 13 7.232 1.242 -14.033 1.00 20.32 N ATOM 181 CA ALA A 13 5.984 0.489 -14.059 1.00 61.02 C ATOM 182 C ALA A 13 6.251 -1.011 -14.111 1.00 65.44 C ATOM 183 O ALA A 13 5.508 -1.803 -13.530 1.00 61.00 O ATOM 184 CB ALA A 13 5.134 0.918 -15.245 1.00 41.50 C ATOM 185 H ALA A 13 7.368 1.965 -14.680 1.00 54.24 H ATOM 186 HA ALA A 13 5.438 0.716 -13.155 1.00 40.02 H ATOM 187 HB1 ALA A 13 4.715 0.044 -15.721 1.00 4.12 H ATOM 188 HB2 ALA A 13 4.336 1.559 -14.902 1.00 21.51 H ATOM 189 HB3 ALA A 13 5.748 1.454 -15.953 1.00 41.25 H ATOM 190 N ARG A 14 7.313 -1.396 -14.811 1.00 61.42 N ATOM 191 CA ARG A 14 7.674 -2.802 -14.940 1.00 4.12 C ATOM 192 C ARG A 14 7.752 -3.472 -13.571 1.00 73.12 C ATOM 193 O ARG A 14 7.143 -4.517 -13.344 1.00 51.32 O ATOM 194 CB ARG A 14 9.015 -2.941 -15.663 1.00 70.30 C ATOM 195 CG ARG A 14 9.347 -4.370 -16.061 1.00 3.53 C ATOM 196 CD ARG A 14 10.225 -4.413 -17.302 1.00 31.05 C ATOM 197 NE ARG A 14 11.092 -5.589 -17.319 1.00 71.02 N ATOM 198 CZ ARG A 14 11.769 -5.988 -18.390 1.00 73.14 C ATOM 199 NH1 ARG A 14 11.681 -5.307 -19.525 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 12.537 -7.068 -18.327 1.00 43.21 N ATOM 201 H ARG A 14 7.866 -0.718 -15.252 1.00 11.41 H ATOM 202 HA ARG A 14 6.908 -3.290 -15.524 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.992 -2.338 -16.560 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.800 -2.579 -15.016 1.00 32.32 H ATOM 205 HG2 ARG A 14 9.872 -4.848 -15.246 1.00 14.32 H ATOM 206 HG3 ARG A 14 8.428 -4.901 -16.261 1.00 64.15 H ATOM 207 HD2 ARG A 14 9.590 -4.434 -18.176 1.00 2.11 H ATOM 208 HD3 ARG A 14 10.839 -3.525 -17.324 1.00 61.05 H ATOM 209 HE ARG A 14 11.171 -6.107 -16.491 1.00 12.31 H ATOM 210 HH11 ARG A 14 11.105 -4.492 -19.575 1.00 13.11 H ATOM 211 HH12 ARG A 14 12.194 -5.608 -20.329 1.00 54.33 H ATOM 212 HH21 ARG A 14 12.605 -7.583 -17.474 1.00 3.13 H ATOM 213 HH22 ARG A 14 13.046 -7.367 -19.133 1.00 22.33 H ATOM 214 N LYS A 15 8.504 -2.862 -12.662 1.00 53.05 N ATOM 215 CA LYS A 15 8.661 -3.398 -11.315 1.00 32.42 C ATOM 216 C LYS A 15 7.353 -3.306 -10.537 1.00 33.31 C ATOM 217 O LYS A 15 6.978 -4.237 -9.823 1.00 53.12 O ATOM 218 CB LYS A 15 9.763 -2.641 -10.569 1.00 1.14 C ATOM 219 CG LYS A 15 11.147 -2.836 -11.166 1.00 62.52 C ATOM 220 CD LYS A 15 12.061 -1.666 -10.849 1.00 62.43 C ATOM 221 CE LYS A 15 11.845 -0.511 -11.816 1.00 42.23 C ATOM 222 NZ LYS A 15 13.127 0.144 -12.195 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.966 -2.031 -12.903 1.00 5.22 H ATOM 224 HA LYS A 15 8.944 -4.435 -11.401 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.534 -1.586 -10.583 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.786 -2.982 -9.543 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.581 -3.738 -10.759 1.00 44.42 H ATOM 228 HG3 LYS A 15 11.055 -2.931 -12.239 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.858 -1.322 -9.846 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.089 -1.993 -10.919 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.367 -0.890 -12.706 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.202 0.219 -11.346 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.886 -0.158 -11.551 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.031 1.178 -12.137 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.388 -0.116 -13.167 1.00 5.34 H ATOM 236 N CYS A 16 6.661 -2.182 -10.682 1.00 3.31 N ATOM 237 CA CYS A 16 5.392 -1.969 -9.994 1.00 42.35 C ATOM 238 C CYS A 16 4.451 -3.150 -10.213 1.00 44.12 C ATOM 239 O CYS A 16 3.694 -3.529 -9.318 1.00 25.33 O ATOM 240 CB CYS A 16 4.732 -0.679 -10.485 1.00 33.01 C ATOM 241 SG CYS A 16 2.993 -0.494 -9.976 1.00 23.31 S ATOM 242 H CYS A 16 7.011 -1.476 -11.266 1.00 60.30 H ATOM 243 HA CYS A 16 5.598 -1.880 -8.939 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.280 0.167 -10.093 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.765 -0.654 -11.563 1.00 1.13 H ATOM 246 N ASP A 17 4.502 -3.727 -11.409 1.00 30.21 N ATOM 247 CA ASP A 17 3.656 -4.865 -11.746 1.00 74.33 C ATOM 248 C ASP A 17 4.184 -6.145 -11.104 1.00 20.44 C ATOM 249 O ASP A 17 3.412 -6.996 -10.666 1.00 54.11 O ATOM 250 CB ASP A 17 3.575 -5.037 -13.264 1.00 61.34 C ATOM 251 CG ASP A 17 3.341 -3.722 -13.983 1.00 41.41 C ATOM 252 OD1 ASP A 17 4.024 -3.470 -14.998 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.473 -2.947 -13.531 1.00 73.12 O1- ATOM 254 H ASP A 17 5.126 -3.379 -12.081 1.00 20.24 H ATOM 255 HA ASP A 17 2.666 -4.668 -11.362 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.502 -5.461 -13.622 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.762 -5.706 -13.501 1.00 43.02 H ATOM 258 N ASP A 18 5.506 -6.273 -11.056 1.00 1.53 N ATOM 259 CA ASP A 18 6.138 -7.448 -10.468 1.00 43.23 C ATOM 260 C ASP A 18 5.828 -7.545 -8.978 1.00 73.15 C ATOM 261 O ASP A 18 5.392 -8.589 -8.490 1.00 70.42 O ATOM 262 CB ASP A 18 7.652 -7.401 -10.684 1.00 12.25 C ATOM 263 CG ASP A 18 8.290 -8.775 -10.611 1.00 72.42 C ATOM 264 OD1 ASP A 18 9.157 -8.980 -9.734 1.00 72.02 O ATOM 265 OD2 ASP A 18 7.924 -9.643 -11.429 1.00 1.52 O1- ATOM 266 H ASP A 18 6.069 -5.560 -11.422 1.00 42.55 H ATOM 267 HA ASP A 18 5.741 -8.321 -10.964 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.856 -6.981 -11.659 1.00 71.53 H ATOM 269 HB3 ASP A 18 8.098 -6.775 -9.926 1.00 23.01 H ATOM 270 N CYS A 19 6.056 -6.451 -8.259 1.00 74.32 N ATOM 271 CA CYS A 19 5.802 -6.412 -6.824 1.00 61.35 C ATOM 272 C CYS A 19 4.373 -6.847 -6.511 1.00 64.12 C ATOM 273 O CYS A 19 4.116 -7.490 -5.494 1.00 71.41 O ATOM 274 CB CYS A 19 6.048 -5.003 -6.279 1.00 12.25 C ATOM 275 SG CYS A 19 6.556 -4.961 -4.530 1.00 61.50 S ATOM 276 H CYS A 19 6.403 -5.649 -8.705 1.00 52.24 H ATOM 277 HA CYS A 19 6.485 -7.097 -6.347 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.831 -4.534 -6.859 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.141 -4.425 -6.374 1.00 44.30 H ATOM 280 N CYS A 20 3.446 -6.490 -7.395 1.00 43.21 N ATOM 281 CA CYS A 20 2.043 -6.842 -7.216 1.00 13.54 C ATOM 282 C CYS A 20 1.821 -8.333 -7.458 1.00 3.21 C ATOM 283 O CYS A 20 0.896 -8.931 -6.909 1.00 31.20 O ATOM 284 CB CYS A 20 1.164 -6.025 -8.164 1.00 71.44 C ATOM 285 SG CYS A 20 1.109 -4.245 -7.777 1.00 62.14 S ATOM 286 H CYS A 20 3.712 -5.978 -8.188 1.00 13.34 H ATOM 287 HA CYS A 20 1.770 -6.611 -6.198 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.542 -6.128 -9.171 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.154 -6.402 -8.122 1.00 54.53 H ATOM 290 N GLY A 21 2.676 -8.927 -8.285 1.00 71.21 N ATOM 291 CA GLY A 21 2.557 -10.341 -8.585 1.00 63.31 C ATOM 292 C GLY A 21 3.270 -10.723 -9.868 1.00 31.25 C ATOM 293 O GLY A 21 4.316 -11.368 -9.836 1.00 4.44 O ATOM 294 H GLY A 21 3.394 -8.399 -8.694 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.978 -10.908 -7.769 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.510 -10.590 -8.681 1.00 45.10 H ATOM 297 N GLY A 22 2.700 -10.326 -11.001 1.00 45.41 N ATOM 298 CA GLY A 22 3.300 -10.641 -12.284 1.00 34.14 C ATOM 299 C GLY A 22 3.141 -9.519 -13.291 1.00 73.32 C ATOM 300 O GLY A 22 2.474 -8.521 -13.019 1.00 61.24 O ATOM 301 H GLY A 22 1.864 -9.814 -10.966 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.352 -10.835 -12.139 1.00 2.10 H ATOM 303 HA3 GLY A 22 2.831 -11.532 -12.679 1.00 24.21 H ATOM 304 N LYS A 23 3.757 -9.681 -14.456 1.00 3.23 N ATOM 305 CA LYS A 23 3.682 -8.673 -15.508 1.00 20.35 C ATOM 306 C LYS A 23 2.232 -8.377 -15.876 1.00 22.43 C ATOM 307 O LYS A 23 1.483 -9.275 -16.257 1.00 2.32 O ATOM 308 CB LYS A 23 4.448 -9.142 -16.747 1.00 72.33 C ATOM 309 CG LYS A 23 4.317 -8.203 -17.935 1.00 64.12 C ATOM 310 CD LYS A 23 3.228 -8.660 -18.890 1.00 52.32 C ATOM 311 CE LYS A 23 3.783 -9.577 -19.970 1.00 45.02 C ATOM 312 NZ LYS A 23 4.315 -8.808 -21.129 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.275 -10.499 -14.614 1.00 3.22 H ATOM 314 HA LYS A 23 4.138 -7.770 -15.135 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.495 -9.229 -16.497 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.075 -10.113 -17.041 1.00 10.51 H ATOM 317 HG2 LYS A 23 4.075 -7.215 -17.574 1.00 33.44 H ATOM 318 HG3 LYS A 23 5.259 -8.174 -18.463 1.00 3.51 H ATOM 319 HD2 LYS A 23 2.474 -9.196 -18.333 1.00 62.25 H ATOM 320 HD3 LYS A 23 2.786 -7.793 -19.359 1.00 13.45 H ATOM 321 HE2 LYS A 23 4.579 -10.170 -19.546 1.00 23.11 H ATOM 322 HE3 LYS A 23 2.992 -10.227 -20.313 1.00 53.04 H ATOM 323 HZ1 LYS A 23 4.242 -7.788 -20.945 1.00 22.05 H ATOM 324 HZ2 LYS A 23 3.772 -9.033 -21.987 1.00 23.14 H ATOM 325 HZ3 LYS A 23 5.314 -9.050 -21.291 1.00 40.52 H ATOM 326 N GLY A 24 1.843 -7.111 -15.758 1.00 4.40 N ATOM 327 CA GLY A 24 0.484 -6.720 -16.083 1.00 75.05 C ATOM 328 C GLY A 24 -0.404 -6.632 -14.857 1.00 42.01 C ATOM 329 O GLY A 24 -1.444 -5.975 -14.881 1.00 52.53 O ATOM 330 H GLY A 24 2.484 -6.437 -15.448 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.504 -5.755 -16.569 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.065 -7.445 -16.765 1.00 2.34 H ATOM 333 N ARG A 25 0.008 -7.297 -13.782 1.00 15.22 N ATOM 334 CA ARG A 25 -0.758 -7.294 -12.543 1.00 10.45 C ATOM 335 C ARG A 25 -0.431 -6.062 -11.703 1.00 52.41 C ATOM 336 O ARG A 25 0.713 -5.862 -11.297 1.00 73.24 O ATOM 337 CB ARG A 25 -0.473 -8.564 -11.738 1.00 71.43 C ATOM 338 CG ARG A 25 -0.458 -9.829 -12.580 1.00 22.35 C ATOM 339 CD ARG A 25 -0.946 -11.032 -11.789 1.00 4.34 C ATOM 340 NE ARG A 25 -0.757 -12.281 -12.520 1.00 25.31 N ATOM 341 CZ ARG A 25 -1.252 -13.448 -12.123 1.00 43.12 C ATOM 342 NH1 ARG A 25 -1.963 -13.523 -11.005 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -1.037 -14.542 -12.842 1.00 50.14 N ATOM 344 H ARG A 25 0.847 -7.803 -13.825 1.00 43.44 H ATOM 345 HA ARG A 25 -1.807 -7.270 -12.800 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.491 -8.464 -11.261 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.232 -8.672 -10.978 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.103 -9.688 -13.436 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.552 -10.014 -12.916 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.395 -11.082 -10.862 1.00 43.41 H ATOM 351 HD3 ARG A 25 -1.997 -10.903 -11.577 1.00 72.52 H ATOM 352 HE ARG A 25 -0.234 -12.248 -13.349 1.00 71.42 H ATOM 353 HH11 ARG A 25 -2.127 -12.700 -10.462 1.00 14.34 H ATOM 354 HH12 ARG A 25 -2.336 -14.403 -10.709 1.00 2.50 H ATOM 355 HH21 ARG A 25 -0.503 -14.488 -13.685 1.00 12.23 H ATOM 356 HH22 ARG A 25 -1.411 -15.419 -12.542 1.00 22.24 H ATOM 357 N GLY A 26 -1.443 -5.240 -11.448 1.00 12.23 N ATOM 358 CA GLY A 26 -1.242 -4.037 -10.660 1.00 3.25 C ATOM 359 C GLY A 26 -1.353 -2.774 -11.490 1.00 24.32 C ATOM 360 O GLY A 26 -1.705 -2.826 -12.668 1.00 11.13 O ATOM 361 H GLY A 26 -2.334 -5.450 -11.798 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.982 -4.006 -9.875 1.00 32.44 H ATOM 363 HA3 GLY A 26 -0.258 -4.075 -10.213 1.00 64.11 H ATOM 364 N LYS A 27 -1.054 -1.635 -10.874 1.00 24.11 N ATOM 365 CA LYS A 27 -1.124 -0.352 -11.562 1.00 32.04 C ATOM 366 C LYS A 27 -0.239 0.683 -10.874 1.00 61.25 C ATOM 367 O LYS A 27 0.096 0.543 -9.697 1.00 41.23 O ATOM 368 CB LYS A 27 -2.569 0.148 -11.610 1.00 32.44 C ATOM 369 CG LYS A 27 -2.921 0.871 -12.899 1.00 22.41 C ATOM 370 CD LYS A 27 -4.343 0.568 -13.338 1.00 55.25 C ATOM 371 CE LYS A 27 -4.635 1.138 -14.718 1.00 3.41 C ATOM 372 NZ LYS A 27 -4.400 2.608 -14.770 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.780 -1.658 -9.933 1.00 41.42 H ATOM 374 HA LYS A 27 -0.768 -0.497 -12.572 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.233 -0.698 -11.504 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.730 0.827 -10.786 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.822 1.934 -12.743 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.239 0.554 -13.676 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.482 -0.503 -13.368 1.00 4.44 H ATOM 380 HD3 LYS A 27 -5.031 1.001 -12.626 1.00 42.23 H ATOM 381 HE2 LYS A 27 -3.992 0.654 -15.436 1.00 23.42 H ATOM 382 HE3 LYS A 27 -5.667 0.939 -14.965 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -3.436 2.827 -14.448 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -5.078 3.100 -14.155 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -4.516 2.954 -15.743 1.00 22.22 H ATOM 386 N CYS A 28 0.133 1.722 -11.613 1.00 33.30 N ATOM 387 CA CYS A 28 0.977 2.781 -11.074 1.00 64.20 C ATOM 388 C CYS A 28 0.173 4.059 -10.854 1.00 13.13 C ATOM 389 O CYS A 28 -0.220 4.730 -11.808 1.00 62.20 O ATOM 390 CB CYS A 28 2.149 3.060 -12.019 1.00 65.11 C ATOM 391 SG CYS A 28 3.400 4.194 -11.336 1.00 14.21 S ATOM 392 H CYS A 28 -0.166 1.777 -12.546 1.00 41.24 H ATOM 393 HA CYS A 28 1.364 2.446 -10.124 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.643 2.127 -12.251 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.770 3.498 -12.930 1.00 4.33 H ATOM 396 N TYR A 29 -0.068 4.389 -9.591 1.00 12.13 N ATOM 397 CA TYR A 29 -0.829 5.584 -9.244 1.00 54.10 C ATOM 398 C TYR A 29 -0.052 6.458 -8.263 1.00 74.01 C ATOM 399 O TYR A 29 0.207 6.058 -7.129 1.00 21.41 O ATOM 400 CB TYR A 29 -2.181 5.198 -8.642 1.00 42.54 C ATOM 401 CG TYR A 29 -3.159 4.648 -9.654 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.519 3.306 -9.645 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.727 5.471 -10.619 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.412 2.799 -10.567 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.623 4.973 -11.545 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.962 3.636 -11.516 1.00 13.41 C ATOM 407 OH TYR A 29 -5.853 3.136 -12.437 1.00 30.43 O ATOM 408 H TYR A 29 0.271 3.814 -8.872 1.00 31.15 H ATOM 409 HA TYR A 29 -0.997 6.145 -10.152 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.027 4.444 -7.885 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.627 6.071 -8.188 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.086 2.653 -8.900 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.458 6.518 -10.639 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.678 1.752 -10.544 1.00 64.52 H ATOM 415 HE2 TYR A 29 -5.052 5.628 -12.289 1.00 70.25 H ATOM 416 HH TYR A 29 -6.564 2.681 -11.979 1.00 34.11 H ATOM 417 N GLY A 30 0.316 7.655 -8.710 1.00 73.23 N ATOM 418 CA GLY A 30 1.058 8.568 -7.859 1.00 75.55 C ATOM 419 C GLY A 30 2.485 8.114 -7.629 1.00 55.41 C ATOM 420 O GLY A 30 3.041 7.328 -8.396 1.00 44.54 O ATOM 421 H GLY A 30 0.081 7.920 -9.623 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.072 9.543 -8.323 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.557 8.641 -6.905 1.00 4.20 H ATOM 424 N PRO A 31 3.102 8.616 -6.548 1.00 73.33 N ATOM 425 CA PRO A 31 4.483 8.272 -6.194 1.00 43.14 C ATOM 426 C PRO A 31 4.617 6.828 -5.721 1.00 12.34 C ATOM 427 O PRO A 31 5.723 6.297 -5.626 1.00 71.01 O ATOM 428 CB PRO A 31 4.808 9.240 -5.054 1.00 11.54 C ATOM 429 CG PRO A 31 3.487 9.578 -4.455 1.00 21.14 C ATOM 430 CD PRO A 31 2.500 9.557 -5.590 1.00 72.01 C ATOM 431 HA PRO A 31 5.158 8.443 -7.019 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.455 8.752 -4.338 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.297 10.117 -5.451 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.220 8.841 -3.713 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.526 10.562 -4.012 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.540 9.199 -5.248 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.406 10.541 -6.025 1.00 34.24 H ATOM 438 N GLN A 32 3.484 6.199 -5.427 1.00 24.42 N ATOM 439 CA GLN A 32 3.476 4.816 -4.963 1.00 72.22 C ATOM 440 C GLN A 32 2.827 3.899 -5.996 1.00 34.31 C ATOM 441 O GLN A 32 2.163 4.364 -6.922 1.00 54.23 O ATOM 442 CB GLN A 32 2.736 4.707 -3.629 1.00 24.33 C ATOM 443 CG GLN A 32 3.379 5.508 -2.509 1.00 54.33 C ATOM 444 CD GLN A 32 2.398 5.870 -1.412 1.00 11.12 C ATOM 445 OE1 GLN A 32 1.357 5.228 -1.257 1.00 63.11 O ATOM 446 NE2 GLN A 32 2.723 6.902 -0.643 1.00 54.22 N ATOM 447 H GLN A 32 2.633 6.676 -5.522 1.00 31.43 H ATOM 448 HA GLN A 32 4.502 4.509 -4.821 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.724 5.062 -3.762 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.708 3.670 -3.330 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.177 4.922 -2.077 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.786 6.419 -2.922 1.00 4.55 H ATOM 453 HE21 GLN A 32 3.566 7.367 -0.826 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.105 7.159 0.073 1.00 14.22 H ATOM 455 N CYS A 33 3.024 2.596 -5.828 1.00 31.22 N ATOM 456 CA CYS A 33 2.458 1.613 -6.744 1.00 4.23 C ATOM 457 C CYS A 33 1.249 0.920 -6.122 1.00 42.43 C ATOM 458 O CYS A 33 1.370 0.226 -5.113 1.00 3.41 O ATOM 459 CB CYS A 33 3.515 0.574 -7.126 1.00 45.11 C ATOM 460 SG CYS A 33 2.852 -0.865 -8.025 1.00 44.02 S ATOM 461 H CYS A 33 3.562 2.287 -5.069 1.00 11.45 H ATOM 462 HA CYS A 33 2.140 2.134 -7.635 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.256 1.042 -7.758 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.993 0.212 -6.228 1.00 63.41 H ATOM 465 N LEU A 34 0.085 1.115 -6.731 1.00 13.22 N ATOM 466 CA LEU A 34 -1.147 0.509 -6.238 1.00 63.23 C ATOM 467 C LEU A 34 -1.561 -0.671 -7.111 1.00 51.42 C ATOM 468 O LEU A 34 -1.809 -0.515 -8.307 1.00 24.01 O ATOM 469 CB LEU A 34 -2.269 1.547 -6.198 1.00 32.10 C ATOM 470 CG LEU A 34 -1.900 2.913 -5.618 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.111 3.833 -5.605 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.329 2.760 -4.215 1.00 70.22 C ATOM 473 H LEU A 34 0.051 1.679 -7.532 1.00 45.35 H ATOM 474 HA LEU A 34 -0.962 0.152 -5.236 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.614 1.701 -7.209 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.074 1.140 -5.604 1.00 40.13 H ATOM 477 HG LEU A 34 -1.142 3.368 -6.241 1.00 15.14 H ATOM 478 HD11 LEU A 34 -3.672 3.703 -6.518 1.00 55.34 H ATOM 479 HD12 LEU A 34 -2.783 4.859 -5.527 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.738 3.591 -4.759 1.00 51.04 H ATOM 481 HD21 LEU A 34 -0.416 2.184 -4.260 1.00 53.03 H ATOM 482 HD22 LEU A 34 -2.047 2.249 -3.589 1.00 13.11 H ATOM 483 HD23 LEU A 34 -1.120 3.736 -3.803 1.00 72.45 H ATOM 484 N CYS A 35 -1.634 -1.852 -6.505 1.00 55.40 N ATOM 485 CA CYS A 35 -2.021 -3.058 -7.227 1.00 1.13 C ATOM 486 C CYS A 35 -3.530 -3.100 -7.449 1.00 11.13 C ATOM 487 O CYS A 35 -4.297 -3.360 -6.522 1.00 45.25 O ATOM 488 CB CYS A 35 -1.573 -4.302 -6.457 1.00 3.52 C ATOM 489 SG CYS A 35 0.177 -4.274 -5.951 1.00 24.35 S ATOM 490 H CYS A 35 -1.424 -1.913 -5.550 1.00 32.23 H ATOM 491 HA CYS A 35 -1.528 -3.044 -8.187 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.171 -4.398 -5.563 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.722 -5.174 -7.077 1.00 43.25 H ATOM 494 N ARG A 36 -3.948 -2.844 -8.684 1.00 44.14 N ATOM 495 CA ARG A 36 -5.364 -2.851 -9.028 1.00 13.02 C ATOM 496 C ARG A 36 -6.025 -4.153 -8.583 1.00 4.24 C ATOM 497 O ARG A 36 -5.376 -5.196 -8.508 1.00 54.12 O ATOM 498 CB ARG A 36 -5.546 -2.663 -10.536 1.00 3.14 C ATOM 499 CG ARG A 36 -4.692 -3.600 -11.373 1.00 65.30 C ATOM 500 CD ARG A 36 -5.543 -4.430 -12.322 1.00 44.00 C ATOM 501 NE ARG A 36 -4.782 -4.880 -13.486 1.00 13.52 N ATOM 502 CZ ARG A 36 -5.166 -5.881 -14.271 1.00 42.43 C ATOM 503 NH1 ARG A 36 -6.292 -6.532 -14.019 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -4.420 -6.231 -15.311 1.00 4.52 N ATOM 505 H ARG A 36 -3.288 -2.644 -9.381 1.00 31.33 H ATOM 506 HA ARG A 36 -5.836 -2.028 -8.513 1.00 52.22 H ATOM 507 HB2 ARG A 36 -6.582 -2.836 -10.786 1.00 23.53 H ATOM 508 HB3 ARG A 36 -5.286 -1.647 -10.794 1.00 62.10 H ATOM 509 HG2 ARG A 36 -3.992 -3.015 -11.953 1.00 51.50 H ATOM 510 HG3 ARG A 36 -4.150 -4.263 -10.715 1.00 2.40 H ATOM 511 HD2 ARG A 36 -5.912 -5.294 -11.790 1.00 3.43 H ATOM 512 HD3 ARG A 36 -6.374 -3.829 -12.657 1.00 43.42 H ATOM 513 HE ARG A 36 -3.947 -4.412 -13.691 1.00 5.53 H ATOM 514 HH11 ARG A 36 -6.856 -6.269 -13.236 1.00 32.41 H ATOM 515 HH12 ARG A 36 -6.578 -7.285 -14.612 1.00 50.15 H ATOM 516 HH21 ARG A 36 -3.572 -5.743 -15.506 1.00 24.15 H ATOM 517 HH22 ARG A 36 -4.710 -6.985 -15.902 1.00 1.54 H TER 518 ARG A 36