ATOM 1 N MET A 1 1.563 0.238 0.039 1.00 61.14 N ATOM 2 CA MET A 1 2.162 0.095 -1.283 1.00 54.30 C ATOM 3 C MET A 1 3.280 -0.942 -1.264 1.00 10.41 C ATOM 4 O MET A 1 4.074 -0.995 -0.323 1.00 3.43 O ATOM 5 CB MET A 1 2.705 1.440 -1.770 1.00 20.22 C ATOM 6 CG MET A 1 3.731 2.056 -0.833 1.00 1.40 C ATOM 7 SD MET A 1 5.424 1.627 -1.279 1.00 51.55 S ATOM 8 CE MET A 1 6.289 3.121 -0.803 1.00 35.22 C ATOM 9 H MET A 1 2.117 0.084 0.833 1.00 74.14 H ATOM 10 HA MET A 1 1.390 -0.238 -1.961 1.00 15.40 H ATOM 11 HB2 MET A 1 3.168 1.300 -2.735 1.00 4.54 H ATOM 12 HB3 MET A 1 1.881 2.132 -1.872 1.00 14.14 H ATOM 13 HG2 MET A 1 3.628 3.131 -0.864 1.00 54.45 H ATOM 14 HG3 MET A 1 3.536 1.706 0.170 1.00 12.20 H ATOM 15 HE1 MET A 1 6.844 3.501 -1.647 1.00 22.11 H ATOM 16 HE2 MET A 1 5.574 3.863 -0.479 1.00 11.55 H ATOM 17 HE3 MET A 1 6.970 2.901 0.007 1.00 61.33 H ATOM 18 N CYS A 2 3.339 -1.764 -2.306 1.00 65.22 N ATOM 19 CA CYS A 2 4.360 -2.798 -2.409 1.00 20.05 C ATOM 20 C CYS A 2 5.723 -2.190 -2.724 1.00 4.54 C ATOM 21 O CYS A 2 6.750 -2.651 -2.228 1.00 4.35 O ATOM 22 CB CYS A 2 3.980 -3.813 -3.489 1.00 63.23 C ATOM 23 SG CYS A 2 5.005 -5.320 -3.487 1.00 13.21 S ATOM 24 H CYS A 2 2.678 -1.672 -3.025 1.00 75.25 H ATOM 25 HA CYS A 2 4.416 -3.304 -1.457 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.954 -4.115 -3.343 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.079 -3.349 -4.459 1.00 71.35 H ATOM 28 N MET A 3 5.723 -1.150 -3.552 1.00 45.01 N ATOM 29 CA MET A 3 6.958 -0.476 -3.933 1.00 52.23 C ATOM 30 C MET A 3 6.672 0.921 -4.474 1.00 23.10 C ATOM 31 O MET A 3 5.585 1.206 -4.979 1.00 20.11 O ATOM 32 CB MET A 3 7.711 -1.299 -4.981 1.00 74.12 C ATOM 33 CG MET A 3 7.152 -1.148 -6.386 1.00 63.41 C ATOM 34 SD MET A 3 8.077 -2.102 -7.607 1.00 2.44 S ATOM 35 CE MET A 3 9.732 -1.469 -7.347 1.00 45.55 C ATOM 36 H MET A 3 4.871 -0.827 -3.916 1.00 0.44 H ATOM 37 HA MET A 3 7.573 -0.387 -3.049 1.00 70.35 H ATOM 38 HB2 MET A 3 8.745 -0.986 -4.992 1.00 63.13 H ATOM 39 HB3 MET A 3 7.662 -2.341 -4.707 1.00 23.14 H ATOM 40 HG2 MET A 3 6.126 -1.485 -6.390 1.00 53.32 H ATOM 41 HG3 MET A 3 7.187 -0.104 -6.663 1.00 1.24 H ATOM 42 HE1 MET A 3 10.229 -1.359 -8.299 1.00 21.34 H ATOM 43 HE2 MET A 3 9.677 -0.508 -6.856 1.00 61.54 H ATOM 44 HE3 MET A 3 10.288 -2.158 -6.728 1.00 63.45 H ATOM 45 N PRO A 4 7.667 1.813 -4.369 1.00 22.41 N ATOM 46 CA PRO A 4 7.545 3.195 -4.844 1.00 23.31 C ATOM 47 C PRO A 4 7.497 3.283 -6.365 1.00 1.05 C ATOM 48 O PRO A 4 8.355 2.735 -7.057 1.00 42.21 O ATOM 49 CB PRO A 4 8.814 3.867 -4.310 1.00 25.11 C ATOM 50 CG PRO A 4 9.794 2.755 -4.155 1.00 51.45 C ATOM 51 CD PRO A 4 8.989 1.543 -3.779 1.00 11.41 C ATOM 52 HA PRO A 4 6.676 3.682 -4.428 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.160 4.604 -5.020 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.602 4.342 -3.363 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.311 2.589 -5.087 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.498 2.995 -3.372 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.427 0.652 -4.205 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.920 1.453 -2.705 1.00 72.12 H ATOM 59 N CYS A 5 6.487 3.977 -6.881 1.00 4.23 N ATOM 60 CA CYS A 5 6.326 4.138 -8.321 1.00 74.20 C ATOM 61 C CYS A 5 6.756 5.532 -8.764 1.00 64.10 C ATOM 62 O CYS A 5 6.968 6.421 -7.938 1.00 15.51 O ATOM 63 CB CYS A 5 4.870 3.888 -8.722 1.00 42.42 C ATOM 64 SG CYS A 5 4.676 3.031 -10.318 1.00 30.21 S ATOM 65 H CYS A 5 5.834 4.391 -6.277 1.00 1.03 H ATOM 66 HA CYS A 5 6.954 3.408 -8.808 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.395 3.282 -7.965 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.357 4.835 -8.793 1.00 14.14 H ATOM 69 N PHE A 6 6.882 5.719 -10.073 1.00 61.31 N ATOM 70 CA PHE A 6 7.286 7.005 -10.628 1.00 11.13 C ATOM 71 C PHE A 6 6.592 7.266 -11.961 1.00 22.31 C ATOM 72 O PHE A 6 6.735 6.495 -12.911 1.00 51.14 O ATOM 73 CB PHE A 6 8.805 7.049 -10.814 1.00 13.01 C ATOM 74 CG PHE A 6 9.563 7.175 -9.523 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.034 8.407 -9.098 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.806 6.061 -8.735 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.731 8.527 -7.911 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.502 6.174 -7.547 1.00 22.35 C ATOM 79 CZ PHE A 6 10.967 7.408 -7.135 1.00 34.35 C ATOM 80 H PHE A 6 6.698 4.972 -10.683 1.00 73.13 H ATOM 81 HA PHE A 6 6.996 7.773 -9.928 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.127 6.141 -11.300 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.059 7.895 -11.434 1.00 15.01 H ATOM 84 HD1 PHE A 6 9.850 9.282 -9.705 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.444 5.095 -9.057 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.093 9.492 -7.592 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.685 5.299 -6.943 1.00 62.21 H ATOM 88 HZ PHE A 6 11.511 7.500 -6.207 1.00 51.43 H ATOM 89 N THR A 7 5.838 8.359 -12.025 1.00 52.30 N ATOM 90 CA THR A 7 5.120 8.722 -13.240 1.00 12.52 C ATOM 91 C THR A 7 6.085 9.106 -14.356 1.00 73.14 C ATOM 92 O THR A 7 5.843 8.815 -15.528 1.00 53.32 O ATOM 93 CB THR A 7 4.149 9.892 -12.990 1.00 60.31 C ATOM 94 OG1 THR A 7 4.875 11.045 -12.553 1.00 62.32 O ATOM 95 CG2 THR A 7 3.107 9.517 -11.949 1.00 21.32 C ATOM 96 H THR A 7 5.764 8.934 -11.235 1.00 2.23 H ATOM 97 HA THR A 7 4.543 7.864 -13.555 1.00 25.02 H ATOM 98 HB THR A 7 3.643 10.124 -13.917 1.00 13.03 H ATOM 99 HG1 THR A 7 4.703 11.778 -13.150 1.00 50.10 H ATOM 100 HG21 THR A 7 2.992 8.444 -11.923 1.00 33.24 H ATOM 101 HG22 THR A 7 2.162 9.974 -12.204 1.00 1.34 H ATOM 102 HG23 THR A 7 3.426 9.868 -10.979 1.00 63.31 H ATOM 103 N THR A 8 7.180 9.761 -13.984 1.00 1.00 N ATOM 104 CA THR A 8 8.182 10.185 -14.954 1.00 60.33 C ATOM 105 C THR A 8 8.987 8.998 -15.469 1.00 53.42 C ATOM 106 O THR A 8 9.564 9.051 -16.555 1.00 64.45 O ATOM 107 CB THR A 8 9.148 11.222 -14.348 1.00 54.50 C ATOM 108 OG1 THR A 8 10.100 11.639 -15.332 1.00 44.03 O ATOM 109 CG2 THR A 8 9.876 10.643 -13.143 1.00 4.11 C ATOM 110 H THR A 8 7.316 9.964 -13.036 1.00 15.32 H ATOM 111 HA THR A 8 7.667 10.647 -15.785 1.00 2.23 H ATOM 112 HB THR A 8 8.575 12.079 -14.025 1.00 41.13 H ATOM 113 HG1 THR A 8 10.790 12.156 -14.911 1.00 42.43 H ATOM 114 HG21 THR A 8 9.341 9.775 -12.783 1.00 54.43 H ATOM 115 HG22 THR A 8 9.926 11.386 -12.362 1.00 2.14 H ATOM 116 HG23 THR A 8 10.875 10.355 -13.432 1.00 74.13 H ATOM 117 N ASP A 9 9.020 7.927 -14.684 1.00 21.34 N ATOM 118 CA ASP A 9 9.753 6.725 -15.062 1.00 12.04 C ATOM 119 C ASP A 9 8.874 5.790 -15.888 1.00 61.42 C ATOM 120 O ASP A 9 7.732 5.511 -15.522 1.00 12.44 O ATOM 121 CB ASP A 9 10.262 5.998 -13.816 1.00 52.22 C ATOM 122 CG ASP A 9 11.139 6.880 -12.949 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.520 6.438 -11.846 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.444 8.015 -13.375 1.00 44.10 O1- ATOM 125 H ASP A 9 8.539 7.945 -13.830 1.00 2.15 H ATOM 126 HA ASP A 9 10.598 7.026 -15.661 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.416 5.674 -13.226 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.837 5.136 -14.119 1.00 52.11 H ATOM 129 N HIS A 10 9.414 5.309 -17.003 1.00 43.01 N ATOM 130 CA HIS A 10 8.680 4.405 -17.880 1.00 62.24 C ATOM 131 C HIS A 10 8.988 2.950 -17.544 1.00 53.43 C ATOM 132 O HIS A 10 8.115 2.086 -17.626 1.00 31.54 O ATOM 133 CB HIS A 10 9.026 4.687 -19.343 1.00 31.21 C ATOM 134 CG HIS A 10 8.358 5.910 -19.892 1.00 13.22 C ATOM 135 ND1 HIS A 10 7.048 5.924 -20.321 1.00 61.15 N ATOM 136 CD2 HIS A 10 8.827 7.166 -20.079 1.00 41.34 C ATOM 137 CE1 HIS A 10 6.740 7.134 -20.750 1.00 72.53 C ATOM 138 NE2 HIS A 10 7.802 7.908 -20.613 1.00 64.11 N ATOM 139 H HIS A 10 10.329 5.568 -17.241 1.00 40.51 H ATOM 140 HA HIS A 10 7.625 4.581 -17.730 1.00 21.14 H ATOM 141 HB2 HIS A 10 10.094 4.824 -19.433 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.724 3.843 -19.947 1.00 4.24 H ATOM 143 HD1 HIS A 10 6.436 5.159 -20.314 1.00 3.22 H ATOM 144 HD2 HIS A 10 9.823 7.520 -19.851 1.00 74.25 H ATOM 145 HE1 HIS A 10 5.783 7.441 -21.144 1.00 61.01 H ATOM 146 N GLN A 11 10.235 2.687 -17.165 1.00 53.33 N ATOM 147 CA GLN A 11 10.658 1.336 -16.817 1.00 74.14 C ATOM 148 C GLN A 11 10.261 0.992 -15.385 1.00 32.21 C ATOM 149 O GLN A 11 10.273 -0.173 -14.990 1.00 21.34 O ATOM 150 CB GLN A 11 12.171 1.192 -16.987 1.00 43.54 C ATOM 151 CG GLN A 11 12.971 2.237 -16.226 1.00 43.54 C ATOM 152 CD GLN A 11 14.392 1.794 -15.944 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.633 0.955 -15.075 1.00 53.20 O ATOM 154 NE2 GLN A 11 15.345 2.357 -16.678 1.00 34.11 N ATOM 155 H GLN A 11 10.885 3.418 -17.118 1.00 21.03 H ATOM 156 HA GLN A 11 10.164 0.651 -17.489 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.471 0.216 -16.637 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.414 1.280 -18.036 1.00 24.02 H ATOM 159 HG2 GLN A 11 13.002 3.144 -16.811 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.477 2.435 -15.285 1.00 63.33 H ATOM 161 HE21 GLN A 11 15.080 3.018 -17.352 1.00 15.12 H ATOM 162 HE22 GLN A 11 16.272 2.088 -16.517 1.00 62.42 H ATOM 163 N MET A 12 9.909 2.014 -14.613 1.00 45.43 N ATOM 164 CA MET A 12 9.507 1.820 -13.225 1.00 41.10 C ATOM 165 C MET A 12 8.221 1.003 -13.141 1.00 14.12 C ATOM 166 O MET A 12 8.095 0.111 -12.302 1.00 20.41 O ATOM 167 CB MET A 12 9.313 3.170 -12.533 1.00 13.42 C ATOM 168 CG MET A 12 8.884 3.053 -11.080 1.00 3.42 C ATOM 169 SD MET A 12 10.242 2.582 -9.990 1.00 34.23 S ATOM 170 CE MET A 12 9.541 1.149 -9.176 1.00 44.15 C ATOM 171 H MET A 12 9.919 2.921 -14.984 1.00 23.24 H ATOM 172 HA MET A 12 10.297 1.279 -12.724 1.00 24.11 H ATOM 173 HB2 MET A 12 10.244 3.716 -12.568 1.00 10.25 H ATOM 174 HB3 MET A 12 8.557 3.729 -13.064 1.00 64.23 H ATOM 175 HG2 MET A 12 8.496 4.007 -10.754 1.00 14.24 H ATOM 176 HG3 MET A 12 8.107 2.307 -11.008 1.00 32.30 H ATOM 177 HE1 MET A 12 9.991 1.034 -8.201 1.00 33.32 H ATOM 178 HE2 MET A 12 8.474 1.284 -9.066 1.00 73.40 H ATOM 179 HE3 MET A 12 9.734 0.267 -9.769 1.00 50.41 H ATOM 180 N ALA A 13 7.270 1.314 -14.014 1.00 20.32 N ATOM 181 CA ALA A 13 5.994 0.608 -14.038 1.00 61.02 C ATOM 182 C ALA A 13 6.205 -0.902 -14.098 1.00 65.44 C ATOM 183 O ALA A 13 5.438 -1.668 -13.514 1.00 61.00 O ATOM 184 CB ALA A 13 5.156 1.074 -15.220 1.00 41.50 C ATOM 185 H ALA A 13 7.429 2.036 -14.657 1.00 54.24 H ATOM 186 HA ALA A 13 5.461 0.851 -13.131 1.00 40.02 H ATOM 187 HB1 ALA A 13 5.736 0.990 -16.127 1.00 4.12 H ATOM 188 HB2 ALA A 13 4.272 0.459 -15.298 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.867 2.104 -15.072 1.00 41.25 H ATOM 190 N ARG A 14 7.246 -1.322 -14.809 1.00 61.42 N ATOM 191 CA ARG A 14 7.555 -2.740 -14.947 1.00 4.12 C ATOM 192 C ARG A 14 7.622 -3.417 -13.581 1.00 73.12 C ATOM 193 O ARG A 14 6.953 -4.422 -13.340 1.00 51.32 O ATOM 194 CB ARG A 14 8.881 -2.925 -15.686 1.00 70.30 C ATOM 195 CG ARG A 14 8.987 -4.250 -16.424 1.00 3.53 C ATOM 196 CD ARG A 14 8.284 -4.195 -17.771 1.00 31.05 C ATOM 197 NE ARG A 14 9.037 -3.416 -18.750 1.00 71.02 N ATOM 198 CZ ARG A 14 8.594 -3.148 -19.973 1.00 73.14 C ATOM 199 NH1 ARG A 14 7.408 -3.594 -20.365 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 9.337 -2.432 -20.807 1.00 43.21 N ATOM 201 H ARG A 14 7.820 -0.662 -15.252 1.00 11.41 H ATOM 202 HA ARG A 14 6.765 -3.197 -15.523 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.993 -2.127 -16.406 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.688 -2.870 -14.971 1.00 32.32 H ATOM 205 HG2 ARG A 14 10.030 -4.480 -16.583 1.00 14.32 H ATOM 206 HG3 ARG A 14 8.534 -5.024 -15.821 1.00 64.15 H ATOM 207 HD2 ARG A 14 8.165 -5.202 -18.141 1.00 2.11 H ATOM 208 HD3 ARG A 14 7.311 -3.745 -17.636 1.00 61.05 H ATOM 209 HE ARG A 14 9.915 -3.076 -18.481 1.00 12.31 H ATOM 210 HH11 ARG A 14 6.845 -4.133 -19.738 1.00 13.11 H ATOM 211 HH12 ARG A 14 7.076 -3.389 -21.286 1.00 54.33 H ATOM 212 HH21 ARG A 14 10.231 -2.094 -20.516 1.00 3.13 H ATOM 213 HH22 ARG A 14 9.003 -2.231 -21.728 1.00 22.33 H ATOM 214 N LYS A 15 8.435 -2.858 -12.690 1.00 53.05 N ATOM 215 CA LYS A 15 8.591 -3.406 -11.348 1.00 32.42 C ATOM 216 C LYS A 15 7.289 -3.294 -10.560 1.00 33.31 C ATOM 217 O LYS A 15 6.899 -4.224 -9.852 1.00 53.12 O ATOM 218 CB LYS A 15 9.713 -2.679 -10.604 1.00 1.14 C ATOM 219 CG LYS A 15 11.074 -2.826 -11.262 1.00 62.52 C ATOM 220 CD LYS A 15 12.033 -1.737 -10.812 1.00 62.43 C ATOM 221 CE LYS A 15 11.883 -0.480 -11.655 1.00 42.23 C ATOM 222 NZ LYS A 15 13.203 0.117 -12.001 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.942 -2.058 -12.941 1.00 5.22 H ATOM 224 HA LYS A 15 8.851 -4.450 -11.443 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.473 -1.627 -10.555 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.778 -3.072 -9.600 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.489 -3.788 -10.998 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.954 -2.767 -12.334 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.826 -1.491 -9.781 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.046 -2.102 -10.902 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.362 -0.733 -12.566 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.305 0.244 -11.100 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.158 1.153 -11.920 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.463 -0.132 -12.977 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.936 -0.240 -11.356 1.00 5.34 H ATOM 236 N CYS A 16 6.622 -2.153 -10.689 1.00 3.31 N ATOM 237 CA CYS A 16 5.363 -1.920 -9.990 1.00 42.35 C ATOM 238 C CYS A 16 4.397 -3.081 -10.207 1.00 44.12 C ATOM 239 O CYS A 16 3.639 -3.447 -9.309 1.00 25.33 O ATOM 240 CB CYS A 16 4.725 -0.615 -10.468 1.00 33.01 C ATOM 241 SG CYS A 16 2.968 -0.437 -10.019 1.00 23.31 S ATOM 242 H CYS A 16 6.984 -1.449 -11.268 1.00 60.30 H ATOM 243 HA CYS A 16 5.579 -1.840 -8.935 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.259 0.218 -10.034 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.797 -0.560 -11.544 1.00 1.13 H ATOM 246 N ASP A 17 4.431 -3.654 -11.405 1.00 30.21 N ATOM 247 CA ASP A 17 3.559 -4.774 -11.741 1.00 74.33 C ATOM 248 C ASP A 17 4.079 -6.070 -11.127 1.00 20.44 C ATOM 249 O ASP A 17 3.300 -6.910 -10.674 1.00 54.11 O ATOM 250 CB ASP A 17 3.447 -4.924 -13.259 1.00 61.34 C ATOM 251 CG ASP A 17 3.231 -3.595 -13.958 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.585 -3.487 -15.151 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.705 -2.665 -13.312 1.00 73.12 O1- ATOM 254 H ASP A 17 5.056 -3.317 -12.080 1.00 20.24 H ATOM 255 HA ASP A 17 2.580 -4.566 -11.337 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.358 -5.364 -13.638 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.616 -5.573 -13.491 1.00 43.02 H ATOM 258 N ASP A 18 5.398 -6.226 -11.115 1.00 1.53 N ATOM 259 CA ASP A 18 6.022 -7.420 -10.556 1.00 43.23 C ATOM 260 C ASP A 18 5.758 -7.519 -9.057 1.00 73.15 C ATOM 261 O ASP A 18 5.344 -8.566 -8.557 1.00 70.42 O ATOM 262 CB ASP A 18 7.528 -7.406 -10.821 1.00 12.25 C ATOM 263 CG ASP A 18 8.176 -8.748 -10.547 1.00 72.42 C ATOM 264 OD1 ASP A 18 9.285 -8.766 -9.973 1.00 72.02 O ATOM 265 OD2 ASP A 18 7.574 -9.782 -10.907 1.00 1.52 O1- ATOM 266 H ASP A 18 5.965 -5.521 -11.491 1.00 42.55 H ATOM 267 HA ASP A 18 5.587 -8.280 -11.043 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.702 -7.148 -11.855 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.992 -6.666 -10.186 1.00 23.01 H ATOM 270 N CYS A 19 6.000 -6.425 -8.344 1.00 74.32 N ATOM 271 CA CYS A 19 5.791 -6.389 -6.902 1.00 61.35 C ATOM 272 C CYS A 19 4.375 -6.836 -6.547 1.00 64.12 C ATOM 273 O CYS A 19 4.156 -7.484 -5.523 1.00 71.41 O ATOM 274 CB CYS A 19 6.042 -4.979 -6.365 1.00 12.25 C ATOM 275 SG CYS A 19 6.607 -4.932 -4.633 1.00 61.50 S ATOM 276 H CYS A 19 6.329 -5.621 -8.799 1.00 52.24 H ATOM 277 HA CYS A 19 6.494 -7.069 -6.447 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.800 -4.501 -6.968 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.127 -4.409 -6.428 1.00 44.30 H ATOM 280 N CYS A 20 3.418 -6.484 -7.399 1.00 43.21 N ATOM 281 CA CYS A 20 2.024 -6.848 -7.177 1.00 13.54 C ATOM 282 C CYS A 20 1.804 -8.337 -7.428 1.00 3.21 C ATOM 283 O CYS A 20 0.904 -8.948 -6.853 1.00 31.20 O ATOM 284 CB CYS A 20 1.110 -6.025 -8.086 1.00 71.44 C ATOM 285 SG CYS A 20 1.103 -4.241 -7.716 1.00 62.14 S ATOM 286 H CYS A 20 3.656 -5.967 -8.198 1.00 13.34 H ATOM 287 HA CYS A 20 1.784 -6.629 -6.148 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.429 -6.146 -9.111 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.096 -6.385 -7.986 1.00 54.53 H ATOM 290 N GLY A 21 2.633 -8.914 -8.292 1.00 71.21 N ATOM 291 CA GLY A 21 2.513 -10.327 -8.605 1.00 63.31 C ATOM 292 C GLY A 21 3.278 -10.711 -9.855 1.00 31.25 C ATOM 293 O GLY A 21 4.310 -11.376 -9.780 1.00 4.44 O ATOM 294 H GLY A 21 3.332 -8.378 -8.720 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.890 -10.902 -7.773 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.468 -10.563 -8.749 1.00 45.10 H ATOM 297 N GLY A 22 2.770 -10.292 -11.011 1.00 45.41 N ATOM 298 CA GLY A 22 3.424 -10.608 -12.266 1.00 34.14 C ATOM 299 C GLY A 22 3.183 -9.553 -13.328 1.00 73.32 C ATOM 300 O GLY A 22 2.387 -8.634 -13.131 1.00 61.24 O ATOM 301 H GLY A 22 1.944 -9.765 -11.010 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.486 -10.695 -12.094 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.049 -11.555 -12.626 1.00 24.21 H ATOM 304 N LYS A 23 3.873 -9.681 -14.456 1.00 3.23 N ATOM 305 CA LYS A 23 3.730 -8.732 -15.553 1.00 20.35 C ATOM 306 C LYS A 23 2.263 -8.547 -15.927 1.00 22.43 C ATOM 307 O LYS A 23 1.591 -9.497 -16.329 1.00 2.32 O ATOM 308 CB LYS A 23 4.524 -9.208 -16.773 1.00 72.33 C ATOM 309 CG LYS A 23 4.536 -8.209 -17.917 1.00 64.12 C ATOM 310 CD LYS A 23 5.659 -8.500 -18.898 1.00 52.32 C ATOM 311 CE LYS A 23 5.550 -7.633 -20.144 1.00 45.02 C ATOM 312 NZ LYS A 23 5.427 -6.188 -19.804 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.492 -10.435 -14.554 1.00 3.22 H ATOM 314 HA LYS A 23 4.127 -7.783 -15.224 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.544 -9.394 -16.473 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.089 -10.129 -17.132 1.00 10.51 H ATOM 317 HG2 LYS A 23 3.592 -8.262 -18.440 1.00 33.44 H ATOM 318 HG3 LYS A 23 4.672 -7.215 -17.514 1.00 3.51 H ATOM 319 HD2 LYS A 23 6.606 -8.303 -18.419 1.00 62.25 H ATOM 320 HD3 LYS A 23 5.610 -9.539 -19.189 1.00 13.45 H ATOM 321 HE2 LYS A 23 6.433 -7.779 -20.746 1.00 23.11 H ATOM 322 HE3 LYS A 23 4.677 -7.938 -20.703 1.00 53.04 H ATOM 323 HZ1 LYS A 23 4.482 -5.991 -19.417 1.00 22.05 H ATOM 324 HZ2 LYS A 23 5.569 -5.608 -20.655 1.00 23.14 H ATOM 325 HZ3 LYS A 23 6.141 -5.925 -19.096 1.00 40.52 H ATOM 326 N GLY A 24 1.773 -7.319 -15.794 1.00 4.40 N ATOM 327 CA GLY A 24 0.388 -7.033 -16.123 1.00 75.05 C ATOM 328 C GLY A 24 -0.483 -6.887 -14.891 1.00 42.01 C ATOM 329 O GLY A 24 -1.559 -6.293 -14.951 1.00 52.53 O ATOM 330 H GLY A 24 2.355 -6.601 -15.469 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.347 -6.116 -16.691 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.001 -7.838 -16.730 1.00 2.34 H ATOM 333 N ARG A 25 -0.017 -7.431 -13.772 1.00 15.22 N ATOM 334 CA ARG A 25 -0.763 -7.361 -12.521 1.00 10.45 C ATOM 335 C ARG A 25 -0.341 -6.143 -11.704 1.00 52.41 C ATOM 336 O ARG A 25 0.820 -6.014 -11.316 1.00 73.24 O ATOM 337 CB ARG A 25 -0.549 -8.636 -11.702 1.00 71.43 C ATOM 338 CG ARG A 25 -0.588 -9.907 -12.535 1.00 22.35 C ATOM 339 CD ARG A 25 -1.175 -11.069 -11.750 1.00 4.34 C ATOM 340 NE ARG A 25 -1.690 -12.118 -12.626 1.00 25.31 N ATOM 341 CZ ARG A 25 -2.398 -13.155 -12.193 1.00 43.12 C ATOM 342 NH1 ARG A 25 -2.673 -13.282 -10.902 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -2.832 -14.068 -13.053 1.00 50.14 N ATOM 344 H ARG A 25 0.848 -7.892 -13.787 1.00 43.44 H ATOM 345 HA ARG A 25 -1.811 -7.271 -12.764 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.413 -8.581 -11.216 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.321 -8.700 -10.951 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.198 -9.736 -13.411 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.417 -10.159 -12.837 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.403 -11.488 -11.121 1.00 43.41 H ATOM 351 HD3 ARG A 25 -1.980 -10.700 -11.133 1.00 72.52 H ATOM 352 HE ARG A 25 -1.498 -12.044 -13.584 1.00 71.42 H ATOM 353 HH11 ARG A 25 -2.348 -12.595 -10.252 1.00 14.34 H ATOM 354 HH12 ARG A 25 -3.207 -14.064 -10.579 1.00 2.50 H ATOM 355 HH21 ARG A 25 -2.627 -13.976 -14.026 1.00 12.23 H ATOM 356 HH22 ARG A 25 -3.365 -14.848 -12.726 1.00 22.24 H ATOM 357 N GLY A 26 -1.292 -5.250 -11.447 1.00 12.23 N ATOM 358 CA GLY A 26 -1.000 -4.055 -10.678 1.00 3.25 C ATOM 359 C GLY A 26 -1.112 -2.791 -11.507 1.00 24.32 C ATOM 360 O GLY A 26 -1.234 -2.851 -12.731 1.00 11.13 O ATOM 361 H GLY A 26 -2.201 -5.406 -11.781 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.691 -3.993 -9.851 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.005 -4.128 -10.288 1.00 64.11 H ATOM 364 N LYS A 27 -1.070 -1.643 -10.841 1.00 24.11 N ATOM 365 CA LYS A 27 -1.169 -0.357 -11.523 1.00 32.04 C ATOM 366 C LYS A 27 -0.286 0.687 -10.846 1.00 61.25 C ATOM 367 O LYS A 27 0.066 0.550 -9.674 1.00 41.23 O ATOM 368 CB LYS A 27 -2.622 0.123 -11.544 1.00 32.44 C ATOM 369 CG LYS A 27 -3.469 -0.547 -12.612 1.00 22.41 C ATOM 370 CD LYS A 27 -4.943 -0.540 -12.241 1.00 55.25 C ATOM 371 CE LYS A 27 -5.822 -0.818 -13.449 1.00 3.41 C ATOM 372 NZ LYS A 27 -5.675 0.232 -14.495 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.972 -1.660 -9.865 1.00 41.42 H ATOM 374 HA LYS A 27 -0.829 -0.494 -12.538 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.069 -0.078 -10.581 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.634 1.189 -11.720 1.00 21.32 H ATOM 377 HG2 LYS A 27 -3.341 -0.017 -13.544 1.00 34.13 H ATOM 378 HG3 LYS A 27 -3.141 -1.570 -12.729 1.00 32.04 H ATOM 379 HD2 LYS A 27 -5.122 -1.303 -11.497 1.00 4.44 H ATOM 380 HD3 LYS A 27 -5.197 0.429 -11.834 1.00 42.23 H ATOM 381 HE2 LYS A 27 -5.546 -1.773 -13.868 1.00 23.42 H ATOM 382 HE3 LYS A 27 -6.853 -0.850 -13.128 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -5.266 1.094 -14.081 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -6.603 0.463 -14.903 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -5.049 -0.106 -15.255 1.00 22.22 H ATOM 386 N CYS A 28 0.065 1.730 -11.590 1.00 33.30 N ATOM 387 CA CYS A 28 0.904 2.799 -11.062 1.00 64.20 C ATOM 388 C CYS A 28 0.104 4.086 -10.893 1.00 13.13 C ATOM 389 O CYS A 28 -0.265 4.733 -11.874 1.00 62.20 O ATOM 390 CB CYS A 28 2.097 3.044 -11.988 1.00 65.11 C ATOM 391 SG CYS A 28 3.332 4.203 -11.320 1.00 14.21 S ATOM 392 H CYS A 28 -0.248 1.783 -12.518 1.00 41.24 H ATOM 393 HA CYS A 28 1.269 2.487 -10.095 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.597 2.104 -12.175 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.739 3.446 -12.924 1.00 4.33 H ATOM 396 N TYR A 29 -0.161 4.452 -9.644 1.00 12.13 N ATOM 397 CA TYR A 29 -0.919 5.662 -9.347 1.00 54.10 C ATOM 398 C TYR A 29 -0.198 6.515 -8.309 1.00 74.01 C ATOM 399 O TYR A 29 -0.127 6.156 -7.134 1.00 21.41 O ATOM 400 CB TYR A 29 -2.319 5.301 -8.845 1.00 42.54 C ATOM 401 CG TYR A 29 -3.157 4.567 -9.866 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.670 3.305 -9.596 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.440 5.137 -11.101 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.436 2.630 -10.526 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.207 4.471 -12.037 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.702 3.217 -11.746 1.00 13.41 C ATOM 407 OH TYR A 29 -5.467 2.549 -12.674 1.00 30.43 O ATOM 408 H TYR A 29 0.159 3.896 -8.905 1.00 31.15 H ATOM 409 HA TYR A 29 -1.011 6.230 -10.261 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.230 4.670 -7.974 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.841 6.207 -8.575 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.460 2.847 -8.639 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.050 6.120 -11.327 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.824 1.648 -10.297 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.415 4.930 -12.993 1.00 70.25 H ATOM 416 HH TYR A 29 -6.249 2.191 -12.247 1.00 34.11 H ATOM 417 N GLY A 30 0.336 7.650 -8.751 1.00 73.23 N ATOM 418 CA GLY A 30 1.044 8.538 -7.848 1.00 75.55 C ATOM 419 C GLY A 30 2.473 8.097 -7.603 1.00 55.41 C ATOM 420 O GLY A 30 3.044 7.315 -8.365 1.00 44.54 O ATOM 421 H GLY A 30 0.248 7.886 -9.698 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.053 9.532 -8.272 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.520 8.565 -6.903 1.00 4.20 H ATOM 424 N PRO A 31 3.074 8.603 -6.516 1.00 73.33 N ATOM 425 CA PRO A 31 4.453 8.270 -6.147 1.00 43.14 C ATOM 426 C PRO A 31 4.595 6.827 -5.674 1.00 12.34 C ATOM 427 O PRO A 31 5.696 6.279 -5.647 1.00 71.01 O ATOM 428 CB PRO A 31 4.759 9.241 -5.004 1.00 11.54 C ATOM 429 CG PRO A 31 3.428 9.567 -4.418 1.00 21.14 C ATOM 430 CD PRO A 31 2.454 9.538 -5.563 1.00 72.01 C ATOM 431 HA PRO A 31 5.137 8.448 -6.965 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.402 8.758 -4.281 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.245 10.122 -5.394 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.161 8.827 -3.679 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.455 10.551 -3.973 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.493 9.172 -5.232 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.355 10.522 -5.999 1.00 34.24 H ATOM 438 N GLN A 32 3.474 6.219 -5.302 1.00 24.42 N ATOM 439 CA GLN A 32 3.474 4.840 -4.829 1.00 72.22 C ATOM 440 C GLN A 32 2.718 3.934 -5.793 1.00 34.31 C ATOM 441 O GLN A 32 1.773 4.365 -6.457 1.00 54.23 O ATOM 442 CB GLN A 32 2.850 4.755 -3.435 1.00 24.33 C ATOM 443 CG GLN A 32 3.615 5.535 -2.377 1.00 54.33 C ATOM 444 CD GLN A 32 2.896 5.569 -1.043 1.00 11.12 C ATOM 445 OE1 GLN A 32 2.006 4.759 -0.784 1.00 63.11 O ATOM 446 NE2 GLN A 32 3.279 6.509 -0.188 1.00 54.22 N ATOM 447 H GLN A 32 2.627 6.708 -5.344 1.00 31.43 H ATOM 448 HA GLN A 32 4.501 4.508 -4.774 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.844 5.143 -3.481 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.815 3.719 -3.131 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.581 5.073 -2.236 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.750 6.550 -2.724 1.00 4.55 H ATOM 453 HE21 GLN A 32 3.994 7.122 -0.463 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.831 6.555 0.681 1.00 14.22 H ATOM 455 N CYS A 33 3.137 2.675 -5.868 1.00 31.22 N ATOM 456 CA CYS A 33 2.499 1.706 -6.752 1.00 4.23 C ATOM 457 C CYS A 33 1.297 1.059 -6.073 1.00 42.43 C ATOM 458 O CYS A 33 1.404 0.532 -4.965 1.00 3.41 O ATOM 459 CB CYS A 33 3.502 0.630 -7.172 1.00 45.11 C ATOM 460 SG CYS A 33 2.759 -0.771 -8.067 1.00 44.02 S ATOM 461 H CYS A 33 3.895 2.389 -5.315 1.00 11.45 H ATOM 462 HA CYS A 33 2.161 2.232 -7.631 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.246 1.073 -7.817 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.987 0.237 -6.290 1.00 63.41 H ATOM 465 N LEU A 34 0.151 1.102 -6.744 1.00 13.22 N ATOM 466 CA LEU A 34 -1.074 0.520 -6.207 1.00 63.23 C ATOM 467 C LEU A 34 -1.529 -0.666 -7.051 1.00 51.42 C ATOM 468 O LEU A 34 -1.800 -0.526 -8.244 1.00 24.01 O ATOM 469 CB LEU A 34 -2.181 1.574 -6.150 1.00 32.10 C ATOM 470 CG LEU A 34 -1.764 2.959 -5.655 1.00 43.54 C ATOM 471 CD1 LEU A 34 -2.964 3.892 -5.606 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.106 2.860 -4.286 1.00 70.22 C ATOM 473 H LEU A 34 0.128 1.536 -7.623 1.00 45.35 H ATOM 474 HA LEU A 34 -0.864 0.175 -5.205 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.582 1.686 -7.146 1.00 35.14 H ATOM 476 HB3 LEU A 34 -2.954 1.205 -5.492 1.00 40.13 H ATOM 477 HG LEU A 34 -1.044 3.379 -6.343 1.00 15.14 H ATOM 478 HD11 LEU A 34 -2.624 4.910 -5.489 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.593 3.624 -4.770 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.527 3.803 -6.524 1.00 51.04 H ATOM 481 HD21 LEU A 34 -1.654 3.466 -3.580 1.00 53.03 H ATOM 482 HD22 LEU A 34 -0.088 3.215 -4.350 1.00 13.11 H ATOM 483 HD23 LEU A 34 -1.111 1.832 -3.959 1.00 72.45 H ATOM 484 N CYS A 35 -1.611 -1.835 -6.424 1.00 55.40 N ATOM 485 CA CYS A 35 -2.034 -3.047 -7.114 1.00 1.13 C ATOM 486 C CYS A 35 -3.552 -3.084 -7.266 1.00 11.13 C ATOM 487 O CYS A 35 -4.282 -2.512 -6.456 1.00 45.25 O ATOM 488 CB CYS A 35 -1.556 -4.286 -6.355 1.00 3.52 C ATOM 489 SG CYS A 35 0.200 -4.232 -5.875 1.00 24.35 S ATOM 490 H CYS A 35 -1.381 -1.884 -5.471 1.00 32.23 H ATOM 491 HA CYS A 35 -1.587 -3.042 -8.097 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.139 -4.393 -5.452 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.701 -5.157 -6.977 1.00 43.25 H ATOM 494 N ARG A 36 -4.021 -3.761 -8.310 1.00 44.14 N ATOM 495 CA ARG A 36 -5.452 -3.873 -8.568 1.00 13.02 C ATOM 496 C ARG A 36 -6.052 -5.050 -7.806 1.00 4.24 C ATOM 497 O ARG A 36 -5.330 -5.846 -7.205 1.00 54.12 O ATOM 498 CB ARG A 36 -5.708 -4.036 -10.068 1.00 3.14 C ATOM 499 CG ARG A 36 -5.125 -5.313 -10.649 1.00 65.30 C ATOM 500 CD ARG A 36 -5.458 -5.456 -12.126 1.00 44.00 C ATOM 501 NE ARG A 36 -4.800 -6.613 -12.727 1.00 13.52 N ATOM 502 CZ ARG A 36 -5.148 -7.129 -13.901 1.00 42.43 C ATOM 503 NH1 ARG A 36 -6.140 -6.592 -14.597 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -4.501 -8.184 -14.381 1.00 4.52 N ATOM 505 H ARG A 36 -3.389 -4.195 -8.920 1.00 31.33 H ATOM 506 HA ARG A 36 -5.922 -2.962 -8.229 1.00 52.22 H ATOM 507 HB2 ARG A 36 -6.775 -4.044 -10.239 1.00 23.53 H ATOM 508 HB3 ARG A 36 -5.273 -3.197 -10.588 1.00 62.10 H ATOM 509 HG2 ARG A 36 -4.052 -5.294 -10.533 1.00 51.50 H ATOM 510 HG3 ARG A 36 -5.531 -6.160 -10.115 1.00 2.40 H ATOM 511 HD2 ARG A 36 -6.527 -5.566 -12.232 1.00 3.43 H ATOM 512 HD3 ARG A 36 -5.135 -4.564 -12.641 1.00 43.42 H ATOM 513 HE ARG A 36 -4.065 -7.026 -12.229 1.00 5.53 H ATOM 514 HH11 ARG A 36 -6.628 -5.796 -14.238 1.00 32.41 H ATOM 515 HH12 ARG A 36 -6.398 -6.982 -15.481 1.00 50.15 H ATOM 516 HH21 ARG A 36 -3.752 -8.591 -13.858 1.00 24.15 H ATOM 517 HH22 ARG A 36 -4.763 -8.571 -15.264 1.00 1.54 H TER 518 ARG A 36