ATOM 1 N MET A 1 1.379 0.047 0.021 1.00 61.14 N ATOM 2 CA MET A 1 2.114 0.023 -1.238 1.00 54.30 C ATOM 3 C MET A 1 3.205 -1.042 -1.210 1.00 10.41 C ATOM 4 O MET A 1 3.905 -1.204 -0.210 1.00 3.43 O ATOM 5 CB MET A 1 2.732 1.394 -1.518 1.00 20.22 C ATOM 6 CG MET A 1 3.658 1.881 -0.416 1.00 1.40 C ATOM 7 SD MET A 1 5.386 1.468 -0.730 1.00 51.55 S ATOM 8 CE MET A 1 6.161 3.067 -0.507 1.00 35.22 C ATOM 9 H MET A 1 1.049 0.903 0.365 1.00 74.14 H ATOM 10 HA MET A 1 1.414 -0.214 -2.025 1.00 15.40 H ATOM 11 HB2 MET A 1 3.296 1.341 -2.437 1.00 4.54 H ATOM 12 HB3 MET A 1 1.937 2.116 -1.635 1.00 14.14 H ATOM 13 HG2 MET A 1 3.569 2.954 -0.335 1.00 54.45 H ATOM 14 HG3 MET A 1 3.358 1.425 0.515 1.00 12.20 H ATOM 15 HE1 MET A 1 5.546 3.679 0.136 1.00 22.11 H ATOM 16 HE2 MET A 1 7.134 2.936 -0.057 1.00 11.55 H ATOM 17 HE3 MET A 1 6.271 3.551 -1.468 1.00 61.33 H ATOM 18 N CYS A 2 3.346 -1.768 -2.315 1.00 65.22 N ATOM 19 CA CYS A 2 4.351 -2.819 -2.417 1.00 20.05 C ATOM 20 C CYS A 2 5.724 -2.230 -2.730 1.00 4.54 C ATOM 21 O CYS A 2 6.746 -2.727 -2.258 1.00 4.35 O ATOM 22 CB CYS A 2 3.957 -3.826 -3.500 1.00 63.23 C ATOM 23 SG CYS A 2 4.942 -5.359 -3.483 1.00 13.21 S ATOM 24 H CYS A 2 2.758 -1.592 -3.080 1.00 75.25 H ATOM 25 HA CYS A 2 4.399 -3.327 -1.466 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.921 -4.101 -3.365 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.079 -3.367 -4.469 1.00 71.35 H ATOM 28 N MET A 3 5.737 -1.168 -3.528 1.00 45.01 N ATOM 29 CA MET A 3 6.984 -0.509 -3.902 1.00 52.23 C ATOM 30 C MET A 3 6.719 0.893 -4.439 1.00 23.10 C ATOM 31 O MET A 3 5.637 1.196 -4.943 1.00 20.11 O ATOM 32 CB MET A 3 7.727 -1.338 -4.952 1.00 74.12 C ATOM 33 CG MET A 3 7.171 -1.176 -6.359 1.00 63.41 C ATOM 34 SD MET A 3 8.088 -2.132 -7.582 1.00 2.44 S ATOM 35 CE MET A 3 9.748 -1.512 -7.321 1.00 45.55 C ATOM 36 H MET A 3 4.890 -0.816 -3.873 1.00 0.44 H ATOM 37 HA MET A 3 7.597 -0.434 -3.017 1.00 70.35 H ATOM 38 HB2 MET A 3 8.764 -1.038 -4.962 1.00 63.13 H ATOM 39 HB3 MET A 3 7.664 -2.382 -4.682 1.00 23.14 H ATOM 40 HG2 MET A 3 6.142 -1.503 -6.365 1.00 53.32 H ATOM 41 HG3 MET A 3 7.217 -0.131 -6.630 1.00 1.24 H ATOM 42 HE1 MET A 3 10.265 -2.150 -6.618 1.00 21.34 H ATOM 43 HE2 MET A 3 10.282 -1.506 -8.260 1.00 61.54 H ATOM 44 HE3 MET A 3 9.699 -0.507 -6.927 1.00 63.45 H ATOM 45 N PRO A 4 7.727 1.770 -4.329 1.00 22.41 N ATOM 46 CA PRO A 4 7.627 3.156 -4.797 1.00 23.31 C ATOM 47 C PRO A 4 7.579 3.251 -6.318 1.00 1.05 C ATOM 48 O PRO A 4 8.431 2.694 -7.012 1.00 42.21 O ATOM 49 CB PRO A 4 8.903 3.806 -4.260 1.00 25.11 C ATOM 50 CG PRO A 4 9.867 2.680 -4.109 1.00 51.45 C ATOM 51 CD PRO A 4 9.044 1.478 -3.738 1.00 11.41 C ATOM 52 HA PRO A 4 6.763 3.654 -4.380 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.261 4.542 -4.967 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.699 4.280 -3.311 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.383 2.510 -5.041 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.575 2.906 -3.324 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.469 0.582 -4.169 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.973 1.385 -2.665 1.00 72.12 H ATOM 59 N CYS A 5 6.580 3.961 -6.832 1.00 4.23 N ATOM 60 CA CYS A 5 6.422 4.129 -8.271 1.00 74.20 C ATOM 61 C CYS A 5 6.851 5.529 -8.705 1.00 64.10 C ATOM 62 O CYS A 5 7.064 6.411 -7.873 1.00 15.51 O ATOM 63 CB CYS A 5 4.969 3.881 -8.678 1.00 42.42 C ATOM 64 SG CYS A 5 4.781 3.032 -10.279 1.00 30.21 S ATOM 65 H CYS A 5 5.933 4.382 -6.227 1.00 1.03 H ATOM 66 HA CYS A 5 7.054 3.406 -8.762 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.492 3.270 -7.926 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.455 4.827 -8.744 1.00 14.14 H ATOM 69 N PHE A 6 6.974 5.725 -10.013 1.00 61.31 N ATOM 70 CA PHE A 6 7.378 7.016 -10.559 1.00 11.13 C ATOM 71 C PHE A 6 6.682 7.285 -11.890 1.00 22.31 C ATOM 72 O PHE A 6 6.934 6.605 -12.885 1.00 51.14 O ATOM 73 CB PHE A 6 8.895 7.063 -10.745 1.00 13.01 C ATOM 74 CG PHE A 6 9.657 7.139 -9.452 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.098 8.357 -8.964 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.928 5.991 -8.724 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.799 8.429 -7.775 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.628 6.057 -7.534 1.00 22.35 C ATOM 79 CZ PHE A 6 11.063 7.278 -7.059 1.00 34.35 C ATOM 80 H PHE A 6 6.790 4.982 -10.627 1.00 73.13 H ATOM 81 HA PHE A 6 7.086 7.778 -9.853 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.215 6.172 -11.265 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.152 7.931 -11.334 1.00 15.01 H ATOM 84 HD1 PHE A 6 9.893 9.258 -9.522 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.587 5.035 -9.096 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.138 9.385 -7.405 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.832 5.155 -6.977 1.00 62.21 H ATOM 88 HZ PHE A 6 11.611 7.332 -6.130 1.00 51.43 H ATOM 89 N THR A 7 5.804 8.283 -11.900 1.00 52.30 N ATOM 90 CA THR A 7 5.070 8.642 -13.107 1.00 12.52 C ATOM 91 C THR A 7 6.019 9.062 -14.224 1.00 73.14 C ATOM 92 O THR A 7 5.773 8.789 -15.399 1.00 53.32 O ATOM 93 CB THR A 7 4.073 9.785 -12.839 1.00 60.31 C ATOM 94 OG1 THR A 7 4.781 10.983 -12.503 1.00 62.32 O ATOM 95 CG2 THR A 7 3.120 9.419 -11.711 1.00 21.32 C ATOM 96 H THR A 7 5.645 8.787 -11.076 1.00 2.23 H ATOM 97 HA THR A 7 4.512 7.774 -13.430 1.00 25.02 H ATOM 98 HB THR A 7 3.495 9.957 -13.736 1.00 13.03 H ATOM 99 HG1 THR A 7 5.399 10.801 -11.791 1.00 50.10 H ATOM 100 HG21 THR A 7 2.101 9.513 -12.054 1.00 33.24 H ATOM 101 HG22 THR A 7 3.281 10.083 -10.875 1.00 1.34 H ATOM 102 HG23 THR A 7 3.302 8.401 -11.403 1.00 63.31 H ATOM 103 N THR A 8 7.107 9.728 -13.849 1.00 1.00 N ATOM 104 CA THR A 8 8.094 10.187 -14.819 1.00 60.33 C ATOM 105 C THR A 8 8.904 9.021 -15.371 1.00 53.42 C ATOM 106 O THR A 8 9.469 9.107 -16.462 1.00 64.45 O ATOM 107 CB THR A 8 9.055 11.218 -14.197 1.00 54.50 C ATOM 108 OG1 THR A 8 9.958 11.708 -15.195 1.00 44.03 O ATOM 109 CG2 THR A 8 9.843 10.601 -13.051 1.00 4.11 C ATOM 110 H THR A 8 7.247 9.916 -12.898 1.00 15.32 H ATOM 111 HA THR A 8 7.566 10.663 -15.632 1.00 2.23 H ATOM 112 HB THR A 8 8.473 12.043 -13.812 1.00 41.13 H ATOM 113 HG1 THR A 8 10.161 12.630 -15.017 1.00 42.43 H ATOM 114 HG21 THR A 8 9.233 9.863 -12.552 1.00 54.43 H ATOM 115 HG22 THR A 8 10.122 11.373 -12.350 1.00 2.14 H ATOM 116 HG23 THR A 8 10.732 10.128 -13.441 1.00 74.13 H ATOM 117 N ASP A 9 8.958 7.931 -14.613 1.00 21.34 N ATOM 118 CA ASP A 9 9.699 6.746 -15.028 1.00 12.04 C ATOM 119 C ASP A 9 8.817 5.816 -15.858 1.00 61.42 C ATOM 120 O ASP A 9 7.675 5.539 -15.493 1.00 12.44 O ATOM 121 CB ASP A 9 10.238 6.002 -13.806 1.00 52.22 C ATOM 122 CG ASP A 9 11.154 6.864 -12.961 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.506 6.436 -11.842 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.520 7.968 -13.418 1.00 44.10 O1- ATOM 125 H ASP A 9 8.486 7.924 -13.754 1.00 2.15 H ATOM 126 HA ASP A 9 10.529 7.070 -15.636 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.409 5.681 -13.193 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.792 5.135 -14.136 1.00 52.11 H ATOM 129 N HIS A 10 9.356 5.340 -16.975 1.00 43.01 N ATOM 130 CA HIS A 10 8.618 4.443 -17.857 1.00 62.24 C ATOM 131 C HIS A 10 8.927 2.985 -17.530 1.00 53.43 C ATOM 132 O HIS A 10 8.053 2.121 -17.616 1.00 31.54 O ATOM 133 CB HIS A 10 8.960 4.732 -19.319 1.00 31.21 C ATOM 134 CG HIS A 10 8.076 5.764 -19.948 1.00 13.22 C ATOM 135 ND1 HIS A 10 7.447 5.577 -21.161 1.00 61.15 N ATOM 136 CD2 HIS A 10 7.714 6.998 -19.525 1.00 41.34 C ATOM 137 CE1 HIS A 10 6.738 6.652 -21.457 1.00 72.53 C ATOM 138 NE2 HIS A 10 6.883 7.529 -20.480 1.00 64.11 N ATOM 139 H HIS A 10 10.270 5.599 -17.213 1.00 40.51 H ATOM 140 HA HIS A 10 7.564 4.617 -17.702 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.979 5.088 -19.379 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.869 3.820 -19.891 1.00 4.24 H ATOM 143 HD1 HIS A 10 7.512 4.776 -21.721 1.00 3.22 H ATOM 144 HD2 HIS A 10 8.023 7.476 -18.606 1.00 74.25 H ATOM 145 HE1 HIS A 10 6.142 6.790 -22.346 1.00 61.01 H ATOM 146 N GLN A 11 10.173 2.719 -17.154 1.00 53.33 N ATOM 147 CA GLN A 11 10.596 1.365 -16.815 1.00 74.14 C ATOM 148 C GLN A 11 10.200 1.013 -15.386 1.00 32.21 C ATOM 149 O GLN A 11 10.213 -0.156 -14.998 1.00 21.34 O ATOM 150 CB GLN A 11 12.110 1.223 -16.988 1.00 43.54 C ATOM 151 CG GLN A 11 12.915 2.057 -16.005 1.00 43.54 C ATOM 152 CD GLN A 11 14.224 2.549 -16.591 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.237 3.383 -17.496 1.00 53.20 O ATOM 154 NE2 GLN A 11 15.334 2.033 -16.077 1.00 34.11 N ATOM 155 H GLN A 11 10.823 3.450 -17.105 1.00 21.03 H ATOM 156 HA GLN A 11 10.102 0.684 -17.491 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.380 0.186 -16.853 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.376 1.529 -17.989 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.327 2.913 -15.711 1.00 63.04 H ATOM 160 HG3 GLN A 11 13.131 1.455 -15.134 1.00 63.33 H ATOM 161 HE21 GLN A 11 15.248 1.372 -15.357 1.00 15.12 H ATOM 162 HE22 GLN A 11 16.194 2.332 -16.437 1.00 62.42 H ATOM 163 N MET A 12 9.850 2.031 -14.606 1.00 45.43 N ATOM 164 CA MET A 12 9.450 1.827 -13.218 1.00 41.10 C ATOM 165 C MET A 12 8.160 1.017 -13.139 1.00 14.12 C ATOM 166 O MET A 12 8.028 0.124 -12.301 1.00 20.41 O ATOM 167 CB MET A 12 9.264 3.174 -12.516 1.00 13.42 C ATOM 168 CG MET A 12 8.855 3.047 -11.058 1.00 3.42 C ATOM 169 SD MET A 12 10.161 2.351 -10.027 1.00 34.23 S ATOM 170 CE MET A 12 9.385 0.834 -9.476 1.00 44.15 C ATOM 171 H MET A 12 9.860 2.940 -14.972 1.00 23.24 H ATOM 172 HA MET A 12 10.237 1.279 -12.724 1.00 24.11 H ATOM 173 HB2 MET A 12 10.194 3.720 -12.560 1.00 10.25 H ATOM 174 HB3 MET A 12 8.500 3.734 -13.034 1.00 64.23 H ATOM 175 HG2 MET A 12 8.604 4.027 -10.682 1.00 14.24 H ATOM 176 HG3 MET A 12 7.987 2.407 -10.997 1.00 32.30 H ATOM 177 HE1 MET A 12 8.516 0.632 -10.086 1.00 33.32 H ATOM 178 HE2 MET A 12 10.087 0.018 -9.569 1.00 73.40 H ATOM 179 HE3 MET A 12 9.086 0.937 -8.444 1.00 50.41 H ATOM 180 N ALA A 13 7.212 1.334 -14.013 1.00 20.32 N ATOM 181 CA ALA A 13 5.933 0.633 -14.042 1.00 61.02 C ATOM 182 C ALA A 13 6.136 -0.877 -14.106 1.00 65.44 C ATOM 183 O ALA A 13 5.367 -1.641 -13.523 1.00 61.00 O ATOM 184 CB ALA A 13 5.099 1.106 -15.223 1.00 41.50 C ATOM 185 H ALA A 13 7.376 2.055 -14.657 1.00 54.24 H ATOM 186 HA ALA A 13 5.400 0.876 -13.136 1.00 40.02 H ATOM 187 HB1 ALA A 13 4.908 2.165 -15.127 1.00 4.12 H ATOM 188 HB2 ALA A 13 5.637 0.919 -16.141 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.162 0.571 -15.239 1.00 41.25 H ATOM 190 N ARG A 14 7.176 -1.301 -14.817 1.00 61.42 N ATOM 191 CA ARG A 14 7.478 -2.719 -14.959 1.00 4.12 C ATOM 192 C ARG A 14 7.572 -3.394 -13.593 1.00 73.12 C ATOM 193 O ARG A 14 6.901 -4.392 -13.333 1.00 51.32 O ATOM 194 CB ARG A 14 8.787 -2.910 -15.726 1.00 70.30 C ATOM 195 CG ARG A 14 8.871 -4.233 -16.468 1.00 3.53 C ATOM 196 CD ARG A 14 9.432 -5.336 -15.583 1.00 31.05 C ATOM 197 NE ARG A 14 10.841 -5.117 -15.265 1.00 71.02 N ATOM 198 CZ ARG A 14 11.625 -6.045 -14.727 1.00 73.14 C ATOM 199 NH1 ARG A 14 11.141 -7.248 -14.450 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 12.896 -5.771 -14.466 1.00 43.21 N ATOM 201 H ARG A 14 7.754 -0.643 -15.258 1.00 11.41 H ATOM 202 HA ARG A 14 6.674 -3.176 -15.517 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.889 -2.112 -16.445 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.610 -2.862 -15.027 1.00 32.32 H ATOM 205 HG2 ARG A 14 7.880 -4.517 -16.793 1.00 14.32 H ATOM 206 HG3 ARG A 14 9.513 -4.113 -17.329 1.00 64.15 H ATOM 207 HD2 ARG A 14 8.866 -5.364 -14.664 1.00 2.11 H ATOM 208 HD3 ARG A 14 9.331 -6.278 -16.097 1.00 61.05 H ATOM 209 HE ARG A 14 11.219 -4.235 -15.461 1.00 12.31 H ATOM 210 HH11 ARG A 14 10.183 -7.457 -14.646 1.00 13.11 H ATOM 211 HH12 ARG A 14 11.734 -7.945 -14.046 1.00 54.33 H ATOM 212 HH21 ARG A 14 13.266 -4.865 -14.674 1.00 3.13 H ATOM 213 HH22 ARG A 14 13.485 -6.469 -14.061 1.00 22.33 H ATOM 214 N LYS A 15 8.411 -2.840 -12.723 1.00 53.05 N ATOM 215 CA LYS A 15 8.594 -3.386 -11.383 1.00 32.42 C ATOM 216 C LYS A 15 7.312 -3.264 -10.566 1.00 33.31 C ATOM 217 O LYS A 15 6.945 -4.180 -9.829 1.00 53.12 O ATOM 218 CB LYS A 15 9.738 -2.663 -10.668 1.00 1.14 C ATOM 219 CG LYS A 15 11.100 -2.915 -11.292 1.00 62.52 C ATOM 220 CD LYS A 15 12.073 -1.790 -10.980 1.00 62.43 C ATOM 221 CE LYS A 15 11.838 -0.585 -11.879 1.00 42.23 C ATOM 222 NZ LYS A 15 13.114 0.080 -12.260 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.919 -2.044 -12.988 1.00 5.22 H ATOM 224 HA LYS A 15 8.846 -4.432 -11.482 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.546 -1.601 -10.689 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.770 -2.995 -9.640 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.500 -3.839 -10.902 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.986 -2.994 -12.364 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.942 -1.487 -9.952 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.082 -2.146 -11.127 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.333 -0.914 -12.775 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.214 0.123 -11.354 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.645 0.350 -11.406 1.00 32.11 H ATOM 234 HZ2 LYS A 15 12.919 0.937 -12.817 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.699 -0.565 -12.829 1.00 5.34 H ATOM 236 N CYS A 16 6.635 -2.129 -10.702 1.00 3.31 N ATOM 237 CA CYS A 16 5.393 -1.888 -9.978 1.00 42.35 C ATOM 238 C CYS A 16 4.426 -3.055 -10.152 1.00 44.12 C ATOM 239 O CYS A 16 3.782 -3.490 -9.198 1.00 25.33 O ATOM 240 CB CYS A 16 4.739 -0.592 -10.462 1.00 33.01 C ATOM 241 SG CYS A 16 3.002 -0.399 -9.948 1.00 23.31 S ATOM 242 H CYS A 16 6.978 -1.436 -11.305 1.00 60.30 H ATOM 243 HA CYS A 16 5.633 -1.790 -8.930 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.292 0.249 -10.070 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.769 -0.564 -11.541 1.00 1.13 H ATOM 246 N ASP A 17 4.329 -3.557 -11.378 1.00 30.21 N ATOM 247 CA ASP A 17 3.441 -4.674 -11.679 1.00 74.33 C ATOM 248 C ASP A 17 3.989 -5.975 -11.099 1.00 20.44 C ATOM 249 O ASP A 17 3.231 -6.830 -10.641 1.00 54.11 O ATOM 250 CB ASP A 17 3.256 -4.814 -13.191 1.00 61.34 C ATOM 251 CG ASP A 17 2.912 -3.496 -13.855 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.223 -3.336 -15.055 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.331 -2.623 -13.177 1.00 73.12 O1- ATOM 254 H ASP A 17 4.868 -3.168 -12.099 1.00 20.24 H ATOM 255 HA ASP A 17 2.484 -4.469 -11.225 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.171 -5.187 -13.627 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.457 -5.514 -13.386 1.00 43.02 H ATOM 258 N ASP A 18 5.310 -6.118 -11.125 1.00 1.53 N ATOM 259 CA ASP A 18 5.960 -7.315 -10.602 1.00 43.23 C ATOM 260 C ASP A 18 5.709 -7.459 -9.105 1.00 73.15 C ATOM 261 O ASP A 18 5.298 -8.519 -8.633 1.00 70.42 O ATOM 262 CB ASP A 18 7.463 -7.266 -10.878 1.00 12.25 C ATOM 263 CG ASP A 18 8.106 -8.638 -10.829 1.00 72.42 C ATOM 264 OD1 ASP A 18 9.250 -8.775 -11.311 1.00 72.02 O ATOM 265 OD2 ASP A 18 7.464 -9.574 -10.309 1.00 1.52 O1- ATOM 266 H ASP A 18 5.861 -5.401 -11.505 1.00 42.55 H ATOM 267 HA ASP A 18 5.538 -8.169 -11.109 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.629 -6.845 -11.859 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.938 -6.639 -10.138 1.00 23.01 H ATOM 270 N CYS A 19 5.959 -6.386 -8.362 1.00 74.32 N ATOM 271 CA CYS A 19 5.762 -6.393 -6.918 1.00 61.35 C ATOM 272 C CYS A 19 4.347 -6.841 -6.564 1.00 64.12 C ATOM 273 O CYS A 19 4.131 -7.511 -5.553 1.00 71.41 O ATOM 274 CB CYS A 19 6.027 -5.001 -6.340 1.00 12.25 C ATOM 275 SG CYS A 19 6.572 -5.010 -4.601 1.00 61.50 S ATOM 276 H CYS A 19 6.284 -5.569 -8.796 1.00 52.24 H ATOM 277 HA CYS A 19 6.465 -7.090 -6.489 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.798 -4.519 -6.922 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.121 -4.417 -6.398 1.00 44.30 H ATOM 280 N CYS A 20 3.387 -6.467 -7.403 1.00 43.21 N ATOM 281 CA CYS A 20 1.992 -6.829 -7.180 1.00 13.54 C ATOM 282 C CYS A 20 1.773 -8.321 -7.419 1.00 3.21 C ATOM 283 O CYS A 20 0.873 -8.927 -6.840 1.00 31.20 O ATOM 284 CB CYS A 20 1.079 -6.015 -8.098 1.00 71.44 C ATOM 285 SG CYS A 20 1.095 -4.224 -7.763 1.00 62.14 S ATOM 286 H CYS A 20 3.621 -5.933 -8.192 1.00 13.34 H ATOM 287 HA CYS A 20 1.750 -6.603 -6.152 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.389 -6.160 -9.123 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.063 -6.363 -7.982 1.00 54.53 H ATOM 290 N GLY A 21 2.604 -8.906 -8.277 1.00 71.21 N ATOM 291 CA GLY A 21 2.484 -10.320 -8.578 1.00 63.31 C ATOM 292 C GLY A 21 3.261 -10.716 -9.818 1.00 31.25 C ATOM 293 O GLY A 21 4.292 -11.382 -9.727 1.00 4.44 O ATOM 294 H GLY A 21 3.303 -8.372 -8.709 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.854 -10.888 -7.737 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.442 -10.558 -8.729 1.00 45.10 H ATOM 297 N GLY A 22 2.764 -10.307 -10.982 1.00 45.41 N ATOM 298 CA GLY A 22 3.431 -10.634 -12.229 1.00 34.14 C ATOM 299 C GLY A 22 3.202 -9.586 -13.301 1.00 73.32 C ATOM 300 O GLY A 22 2.404 -8.666 -13.120 1.00 61.24 O ATOM 301 H GLY A 22 1.940 -9.777 -10.993 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.491 -10.721 -12.046 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.058 -11.584 -12.584 1.00 24.21 H ATOM 304 N LYS A 23 3.904 -9.725 -14.420 1.00 3.23 N ATOM 305 CA LYS A 23 3.775 -8.784 -15.526 1.00 20.35 C ATOM 306 C LYS A 23 2.311 -8.600 -15.917 1.00 22.43 C ATOM 307 O LYS A 23 1.642 -9.551 -16.317 1.00 2.32 O ATOM 308 CB LYS A 23 4.578 -9.271 -16.734 1.00 72.33 C ATOM 309 CG LYS A 23 4.558 -8.305 -17.907 1.00 64.12 C ATOM 310 CD LYS A 23 5.591 -7.204 -17.740 1.00 52.32 C ATOM 311 CE LYS A 23 6.980 -7.675 -18.144 1.00 45.02 C ATOM 312 NZ LYS A 23 7.111 -7.816 -19.621 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.524 -10.480 -14.505 1.00 3.22 H ATOM 314 HA LYS A 23 4.170 -7.833 -15.201 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.605 -9.417 -16.432 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.171 -10.215 -17.065 1.00 10.51 H ATOM 317 HG2 LYS A 23 4.773 -8.851 -18.814 1.00 33.44 H ATOM 318 HG3 LYS A 23 3.577 -7.859 -17.977 1.00 3.51 H ATOM 319 HD2 LYS A 23 5.314 -6.365 -18.361 1.00 62.25 H ATOM 320 HD3 LYS A 23 5.613 -6.896 -16.704 1.00 13.45 H ATOM 321 HE2 LYS A 23 7.706 -6.958 -17.793 1.00 23.11 H ATOM 322 HE3 LYS A 23 7.168 -8.634 -17.682 1.00 53.04 H ATOM 323 HZ1 LYS A 23 7.323 -8.803 -19.869 1.00 22.05 H ATOM 324 HZ2 LYS A 23 7.880 -7.209 -19.970 1.00 23.14 H ATOM 325 HZ3 LYS A 23 6.224 -7.535 -20.086 1.00 40.52 H ATOM 326 N GLY A 24 1.821 -7.370 -15.798 1.00 4.40 N ATOM 327 CA GLY A 24 0.441 -7.084 -16.144 1.00 75.05 C ATOM 328 C GLY A 24 -0.442 -6.927 -14.922 1.00 42.01 C ATOM 329 O GLY A 24 -1.517 -6.332 -14.997 1.00 52.53 O ATOM 330 H GLY A 24 2.402 -6.650 -15.474 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.407 -6.172 -16.720 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.059 -7.894 -16.748 1.00 2.34 H ATOM 333 N ARG A 25 0.011 -7.463 -13.793 1.00 15.22 N ATOM 334 CA ARG A 25 -0.747 -7.381 -12.550 1.00 10.45 C ATOM 335 C ARG A 25 -0.322 -6.165 -11.733 1.00 52.41 C ATOM 336 O ARG A 25 0.839 -6.042 -11.342 1.00 73.24 O ATOM 337 CB ARG A 25 -0.555 -8.656 -11.726 1.00 71.43 C ATOM 338 CG ARG A 25 -0.586 -9.929 -12.557 1.00 22.35 C ATOM 339 CD ARG A 25 -1.202 -11.084 -11.783 1.00 4.34 C ATOM 340 NE ARG A 25 -0.714 -12.378 -12.251 1.00 25.31 N ATOM 341 CZ ARG A 25 -1.200 -13.542 -11.835 1.00 43.12 C ATOM 342 NH1 ARG A 25 -2.185 -13.572 -10.947 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -0.703 -14.678 -12.306 1.00 50.14 N ATOM 344 H ARG A 25 0.876 -7.925 -13.797 1.00 43.44 H ATOM 345 HA ARG A 25 -1.791 -7.281 -12.805 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.399 -8.605 -11.223 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.340 -8.714 -10.988 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.172 -9.752 -13.446 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.424 -10.191 -12.835 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.954 -10.972 -10.739 1.00 43.41 H ATOM 351 HD3 ARG A 25 -2.274 -11.049 -11.904 1.00 72.52 H ATOM 352 HE ARG A 25 0.013 -12.379 -12.907 1.00 71.42 H ATOM 353 HH11 ARG A 25 -2.562 -12.718 -10.590 1.00 14.34 H ATOM 354 HH12 ARG A 25 -2.550 -14.450 -10.635 1.00 2.50 H ATOM 355 HH21 ARG A 25 0.040 -14.658 -12.976 1.00 12.23 H ATOM 356 HH22 ARG A 25 -1.070 -15.553 -11.993 1.00 22.24 H ATOM 357 N GLY A 26 -1.270 -5.268 -11.479 1.00 12.23 N ATOM 358 CA GLY A 26 -0.973 -4.074 -10.709 1.00 3.25 C ATOM 359 C GLY A 26 -1.152 -2.805 -11.519 1.00 24.32 C ATOM 360 O GLY A 26 -1.521 -2.853 -12.693 1.00 11.13 O ATOM 361 H GLY A 26 -2.178 -5.420 -11.815 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.629 -4.038 -9.853 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.050 -4.126 -10.365 1.00 64.11 H ATOM 364 N LYS A 27 -0.893 -1.663 -10.890 1.00 24.11 N ATOM 365 CA LYS A 27 -1.027 -0.373 -11.558 1.00 32.04 C ATOM 366 C LYS A 27 -0.177 0.688 -10.868 1.00 61.25 C ATOM 367 O LYS A 27 0.091 0.600 -9.669 1.00 41.23 O ATOM 368 CB LYS A 27 -2.494 0.064 -11.576 1.00 32.44 C ATOM 369 CG LYS A 27 -2.892 0.806 -12.840 1.00 22.41 C ATOM 370 CD LYS A 27 -4.298 0.439 -13.282 1.00 55.25 C ATOM 371 CE LYS A 27 -4.664 1.117 -14.594 1.00 3.41 C ATOM 372 NZ LYS A 27 -3.970 0.493 -15.754 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.603 -1.688 -9.954 1.00 41.42 H ATOM 374 HA LYS A 27 -0.682 -0.489 -12.575 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.119 -0.811 -11.485 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.673 0.713 -10.731 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.851 1.868 -12.650 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.197 0.552 -13.629 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.356 -0.631 -13.415 1.00 4.44 H ATOM 380 HD3 LYS A 27 -4.999 0.748 -12.519 1.00 42.23 H ATOM 381 HE2 LYS A 27 -5.731 1.039 -14.739 1.00 23.42 H ATOM 382 HE3 LYS A 27 -4.385 2.159 -14.535 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -4.666 0.191 -16.466 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -3.428 -0.338 -15.442 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -3.318 1.175 -16.189 1.00 22.22 H ATOM 386 N CYS A 28 0.244 1.691 -11.631 1.00 33.30 N ATOM 387 CA CYS A 28 1.063 2.771 -11.093 1.00 64.20 C ATOM 388 C CYS A 28 0.236 4.040 -10.909 1.00 13.13 C ATOM 389 O CYS A 28 -0.149 4.691 -11.880 1.00 62.20 O ATOM 390 CB CYS A 28 2.247 3.050 -12.020 1.00 65.11 C ATOM 391 SG CYS A 28 3.477 4.203 -11.328 1.00 14.21 S ATOM 392 H CYS A 28 -0.002 1.706 -12.580 1.00 41.24 H ATOM 393 HA CYS A 28 1.436 2.456 -10.131 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.754 2.121 -12.234 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.880 3.475 -12.943 1.00 4.33 H ATOM 396 N TYR A 29 -0.033 4.387 -9.655 1.00 12.13 N ATOM 397 CA TYR A 29 -0.815 5.576 -9.342 1.00 54.10 C ATOM 398 C TYR A 29 -0.072 6.474 -8.358 1.00 74.01 C ATOM 399 O TYR A 29 0.084 6.133 -7.186 1.00 21.41 O ATOM 400 CB TYR A 29 -2.175 5.181 -8.762 1.00 42.54 C ATOM 401 CG TYR A 29 -3.116 4.581 -9.782 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.492 3.246 -9.708 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.630 5.350 -10.819 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.351 2.692 -10.638 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.491 4.805 -11.752 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.848 3.477 -11.658 1.00 13.41 C ATOM 407 OH TYR A 29 -5.706 2.930 -12.586 1.00 30.43 O ATOM 408 H TYR A 29 0.301 3.829 -8.922 1.00 31.15 H ATOM 409 HA TYR A 29 -0.972 6.122 -10.261 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.026 4.453 -7.980 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.650 6.058 -8.347 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.101 2.634 -8.907 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.348 6.390 -10.891 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.631 1.652 -10.564 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.880 5.419 -12.551 1.00 70.25 H ATOM 416 HH TYR A 29 -5.852 3.559 -13.295 1.00 34.11 H ATOM 417 N GLY A 30 0.385 7.624 -8.843 1.00 73.23 N ATOM 418 CA GLY A 30 1.106 8.555 -7.994 1.00 75.55 C ATOM 419 C GLY A 30 2.519 8.092 -7.698 1.00 55.41 C ATOM 420 O GLY A 30 3.102 7.298 -8.435 1.00 44.54 O ATOM 421 H GLY A 30 0.231 7.843 -9.786 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.148 9.515 -8.485 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.572 8.660 -7.062 1.00 4.20 H ATOM 424 N PRO A 31 3.092 8.598 -6.596 1.00 73.33 N ATOM 425 CA PRO A 31 4.453 8.248 -6.179 1.00 43.14 C ATOM 426 C PRO A 31 4.558 6.807 -5.691 1.00 12.34 C ATOM 427 O PRO A 31 5.647 6.236 -5.643 1.00 71.01 O ATOM 428 CB PRO A 31 4.736 9.222 -5.033 1.00 11.54 C ATOM 429 CG PRO A 31 3.392 9.572 -4.494 1.00 21.14 C ATOM 430 CD PRO A 31 2.455 9.550 -5.671 1.00 72.01 C ATOM 431 HA PRO A 31 5.165 8.410 -6.975 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.348 8.736 -4.286 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.248 10.093 -5.414 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.089 8.843 -3.760 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.419 10.560 -4.056 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.479 9.201 -5.370 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.386 10.532 -6.116 1.00 34.24 H ATOM 438 N GLN A 32 3.418 6.225 -5.332 1.00 24.42 N ATOM 439 CA GLN A 32 3.382 4.850 -4.848 1.00 72.22 C ATOM 440 C GLN A 32 2.717 3.931 -5.866 1.00 34.31 C ATOM 441 O GLN A 32 1.942 4.381 -6.711 1.00 54.23 O ATOM 442 CB GLN A 32 2.637 4.777 -3.514 1.00 24.33 C ATOM 443 CG GLN A 32 3.270 5.616 -2.415 1.00 54.33 C ATOM 444 CD GLN A 32 2.286 5.989 -1.325 1.00 11.12 C ATOM 445 OE1 GLN A 32 1.219 6.541 -1.598 1.00 63.11 O ATOM 446 NE2 GLN A 32 2.639 5.689 -0.081 1.00 54.22 N ATOM 447 H GLN A 32 2.582 6.731 -5.393 1.00 31.43 H ATOM 448 HA GLN A 32 4.401 4.524 -4.699 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.624 5.119 -3.661 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.617 3.748 -3.183 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.080 5.056 -1.973 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.661 6.523 -2.854 1.00 4.55 H ATOM 453 HE21 GLN A 32 3.504 5.251 0.061 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.023 5.919 0.643 1.00 14.22 H ATOM 455 N CYS A 33 3.025 2.641 -5.782 1.00 31.22 N ATOM 456 CA CYS A 33 2.458 1.657 -6.697 1.00 4.23 C ATOM 457 C CYS A 33 1.250 0.966 -6.072 1.00 42.43 C ATOM 458 O CYS A 33 1.372 0.272 -5.061 1.00 3.41 O ATOM 459 CB CYS A 33 3.513 0.618 -7.079 1.00 45.11 C ATOM 460 SG CYS A 33 2.853 -0.806 -8.004 1.00 44.02 S ATOM 461 H CYS A 33 3.649 2.343 -5.087 1.00 11.45 H ATOM 462 HA CYS A 33 2.138 2.177 -7.587 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.264 1.089 -7.695 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.977 0.240 -6.181 1.00 63.41 H ATOM 465 N LEU A 34 0.085 1.160 -6.679 1.00 13.22 N ATOM 466 CA LEU A 34 -1.147 0.555 -6.182 1.00 63.23 C ATOM 467 C LEU A 34 -1.544 -0.647 -7.033 1.00 51.42 C ATOM 468 O LEU A 34 -1.745 -0.528 -8.241 1.00 24.01 O ATOM 469 CB LEU A 34 -2.278 1.585 -6.176 1.00 32.10 C ATOM 470 CG LEU A 34 -1.928 2.961 -5.608 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.131 3.889 -5.681 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.434 2.837 -4.174 1.00 70.22 C ATOM 473 H LEU A 34 0.049 1.723 -7.480 1.00 45.35 H ATOM 474 HA LEU A 34 -0.968 0.222 -5.171 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.607 1.721 -7.194 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.089 1.180 -5.588 1.00 40.13 H ATOM 477 HG LEU A 34 -1.136 3.396 -6.200 1.00 15.14 H ATOM 478 HD11 LEU A 34 -2.799 4.914 -5.630 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.795 3.684 -4.853 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.656 3.727 -6.611 1.00 51.04 H ATOM 481 HD21 LEU A 34 -1.004 3.777 -3.860 1.00 53.03 H ATOM 482 HD22 LEU A 34 -0.684 2.061 -4.118 1.00 13.11 H ATOM 483 HD23 LEU A 34 -2.263 2.586 -3.529 1.00 72.45 H ATOM 484 N CYS A 35 -1.657 -1.806 -6.393 1.00 55.40 N ATOM 485 CA CYS A 35 -2.032 -3.031 -7.090 1.00 1.13 C ATOM 486 C CYS A 35 -3.546 -3.118 -7.259 1.00 11.13 C ATOM 487 O CYS A 35 -4.303 -2.572 -6.457 1.00 45.25 O ATOM 488 CB CYS A 35 -1.522 -4.254 -6.324 1.00 3.52 C ATOM 489 SG CYS A 35 0.246 -4.178 -5.893 1.00 24.35 S ATOM 490 H CYS A 35 -1.484 -1.839 -5.428 1.00 32.23 H ATOM 491 HA CYS A 35 -1.573 -3.012 -8.066 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.080 -4.351 -5.404 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.677 -5.137 -6.927 1.00 43.25 H ATOM 494 N ARG A 36 -3.979 -3.810 -8.308 1.00 44.14 N ATOM 495 CA ARG A 36 -5.401 -3.969 -8.585 1.00 13.02 C ATOM 496 C ARG A 36 -6.124 -4.576 -7.386 1.00 4.24 C ATOM 497 O ARG A 36 -5.897 -5.733 -7.034 1.00 54.12 O ATOM 498 CB ARG A 36 -5.609 -4.850 -9.819 1.00 3.14 C ATOM 499 CG ARG A 36 -5.506 -4.092 -11.132 1.00 65.30 C ATOM 500 CD ARG A 36 -6.841 -3.482 -11.530 1.00 44.00 C ATOM 501 NE ARG A 36 -6.690 -2.457 -12.559 1.00 13.52 N ATOM 502 CZ ARG A 36 -7.703 -1.746 -13.042 1.00 42.43 C ATOM 503 NH1 ARG A 36 -8.934 -1.949 -12.592 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -7.486 -0.831 -13.978 1.00 4.52 N ATOM 505 H ARG A 36 -3.326 -4.222 -8.912 1.00 31.33 H ATOM 506 HA ARG A 36 -5.813 -2.989 -8.780 1.00 52.22 H ATOM 507 HB2 ARG A 36 -4.862 -5.630 -9.819 1.00 23.53 H ATOM 508 HB3 ARG A 36 -6.587 -5.300 -9.764 1.00 62.10 H ATOM 509 HG2 ARG A 36 -4.779 -3.301 -11.025 1.00 51.50 H ATOM 510 HG3 ARG A 36 -5.187 -4.774 -11.906 1.00 2.40 H ATOM 511 HD2 ARG A 36 -7.482 -4.265 -11.907 1.00 3.43 H ATOM 512 HD3 ARG A 36 -7.293 -3.038 -10.655 1.00 43.42 H ATOM 513 HE ARG A 36 -5.790 -2.291 -12.905 1.00 5.53 H ATOM 514 HH11 ARG A 36 -9.100 -2.637 -11.887 1.00 32.41 H ATOM 515 HH12 ARG A 36 -9.694 -1.412 -12.957 1.00 50.15 H ATOM 516 HH21 ARG A 36 -6.559 -0.676 -14.320 1.00 24.15 H ATOM 517 HH22 ARG A 36 -8.249 -0.298 -14.342 1.00 1.54 H