ATOM 30 N CYS A 3 -0.420 -5.838 -1.368 1.00 23.11 N ATOM 31 CA CYS A 3 -1.646 -6.597 -1.194 1.00 74.43 C ATOM 32 C CYS A 3 -1.867 -6.818 0.304 1.00 41.05 C ATOM 33 O CYS A 3 -1.222 -6.206 1.155 1.00 65.32 O ATOM 34 CB CYS A 3 -1.608 -7.918 -1.966 1.00 53.12 C ATOM 35 SG CYS A 3 -3.156 -8.334 -2.853 1.00 35.03 S ATOM 36 H CYS A 3 0.346 -6.354 -1.752 1.00 31.21 H ATOM 37 HA CYS A 3 -2.450 -5.996 -1.619 1.00 42.33 H ATOM 38 HB2 CYS A 3 -0.806 -7.895 -2.704 1.00 12.52 H ATOM 39 HB3 CYS A 3 -1.391 -8.741 -1.285 1.00 10.40 H ATOM 40 N TRP A 4 -2.800 -7.712 0.608 1.00 72.44 N ATOM 41 CA TRP A 4 -3.128 -8.035 1.992 1.00 43.50 C ATOM 42 C TRP A 4 -2.696 -9.456 2.337 1.00 52.41 C ATOM 43 O TRP A 4 -2.517 -9.794 3.507 1.00 61.20 O ATOM 44 CB TRP A 4 -4.629 -7.871 2.234 1.00 72.43 C ATOM 45 CG TRP A 4 -5.470 -8.759 1.367 1.00 32.11 C ATOM 46 CD1 TRP A 4 -5.776 -8.567 0.050 1.00 70.40 C ATOM 47 CD2 TRP A 4 -6.115 -9.977 1.758 1.00 45.45 C ATOM 48 NE1 TRP A 4 -6.572 -9.592 -0.402 1.00 23.51 N ATOM 49 CE2 TRP A 4 -6.793 -10.470 0.626 1.00 30.30 C ATOM 50 CE3 TRP A 4 -6.183 -10.699 2.952 1.00 43.11 C ATOM 51 CZ2 TRP A 4 -7.530 -11.651 0.657 1.00 63.32 C ATOM 52 CZ3 TRP A 4 -6.915 -11.871 2.981 1.00 45.32 C ATOM 53 CH2 TRP A 4 -7.579 -12.338 1.839 1.00 35.04 C ATOM 54 H TRP A 4 -3.281 -8.167 -0.116 1.00 21.44 H ATOM 55 HA TRP A 4 -2.593 -7.344 2.627 1.00 21.04 H ATOM 56 HB2 TRP A 4 -4.849 -8.106 3.264 1.00 33.22 H ATOM 57 HB3 TRP A 4 -4.909 -6.847 2.034 1.00 71.12 H ATOM 58 HD1 TRP A 4 -5.437 -7.728 -0.537 1.00 2.41 H ATOM 59 HE1 TRP A 4 -6.922 -9.681 -1.313 1.00 52.03 H ATOM 60 HE3 TRP A 4 -5.677 -10.355 3.842 1.00 10.01 H ATOM 61 HZ2 TRP A 4 -8.047 -12.025 -0.215 1.00 33.13 H ATOM 62 HZ3 TRP A 4 -6.979 -12.442 3.895 1.00 30.12 H ATOM 63 HH2 TRP A 4 -8.139 -13.258 1.908 1.00 54.10 H ATOM 64 N LYS A 5 -2.531 -10.284 1.312 1.00 65.43 N ATOM 65 CA LYS A 5 -2.118 -11.669 1.506 1.00 73.43 C ATOM 66 C LYS A 5 -0.878 -11.989 0.677 1.00 30.13 C ATOM 67 O LYS A 5 -0.046 -12.805 1.076 1.00 41.51 O ATOM 68 CB LYS A 5 -3.256 -12.620 1.127 1.00 55.31 C ATOM 69 CG LYS A 5 -3.431 -12.793 -0.372 1.00 1.11 C ATOM 70 CD LYS A 5 -4.020 -11.547 -1.012 1.00 72.33 C ATOM 71 CE LYS A 5 -5.168 -11.892 -1.950 1.00 25.15 C ATOM 72 NZ LYS A 5 -4.796 -12.969 -2.909 1.00 21.05 N1+ ATOM 73 H LYS A 5 -2.689 -9.956 0.401 1.00 3.23 H ATOM 74 HA LYS A 5 -1.883 -11.802 2.551 1.00 65.13 H ATOM 75 HB2 LYS A 5 -3.059 -13.589 1.560 1.00 60.32 H ATOM 76 HB3 LYS A 5 -4.181 -12.235 1.534 1.00 62.14 H ATOM 77 HG2 LYS A 5 -2.467 -12.992 -0.817 1.00 13.31 H ATOM 78 HG3 LYS A 5 -4.093 -13.628 -0.554 1.00 3.21 H ATOM 79 HD2 LYS A 5 -4.389 -10.894 -0.236 1.00 1.41 H ATOM 80 HD3 LYS A 5 -3.247 -11.042 -1.574 1.00 53.11 H ATOM 81 HE2 LYS A 5 -6.010 -12.221 -1.361 1.00 23.35 H ATOM 82 HE3 LYS A 5 -5.440 -11.006 -2.504 1.00 34.30 H ATOM 83 HZ1 LYS A 5 -3.776 -12.932 -3.109 1.00 41.02 H ATOM 84 HZ2 LYS A 5 -5.317 -12.849 -3.800 1.00 74.11 H ATOM 85 HZ3 LYS A 5 -5.026 -13.900 -2.507 1.00 61.31 H ATOM 86 N CYS A 6 -0.760 -11.341 -0.477 1.00 3.03 N ATOM 87 CA CYS A 6 0.379 -11.555 -1.361 1.00 43.02 C ATOM 88 C CYS A 6 1.678 -11.114 -0.692 1.00 51.43 C ATOM 89 O CYS A 6 1.784 -9.992 -0.197 1.00 72.34 O ATOM 90 CB CYS A 6 0.183 -10.792 -2.673 1.00 25.11 C ATOM 91 SG CYS A 6 -1.329 -11.249 -3.580 1.00 42.11 S ATOM 92 H CYS A 6 -1.456 -10.703 -0.741 1.00 11.44 H ATOM 93 HA CYS A 6 0.440 -12.611 -1.575 1.00 32.21 H ATOM 94 HB2 CYS A 6 0.131 -9.734 -2.461 1.00 22.04 H ATOM 95 HB3 CYS A 6 1.026 -10.983 -3.321 1.00 3.45 H ATOM 96 N GLY A 7 2.665 -12.005 -0.682 1.00 54.11 N ATOM 97 CA GLY A 7 3.943 -11.689 -0.072 1.00 60.31 C ATOM 98 C GLY A 7 4.722 -10.656 -0.861 1.00 4.32 C ATOM 99 O GLY A 7 5.232 -9.687 -0.297 1.00 32.25 O ATOM 100 H GLY A 7 2.523 -12.884 -1.092 1.00 43.11 H ATOM 101 HA2 GLY A 7 3.770 -11.311 0.925 1.00 65.54 H ATOM 102 HA3 GLY A 7 4.531 -12.593 -0.007 1.00 33.32 H ATOM 103 N LYS A 8 4.818 -10.861 -2.170 1.00 32.40 N ATOM 104 CA LYS A 8 5.541 -9.941 -3.039 1.00 1.41 C ATOM 105 C LYS A 8 5.083 -8.504 -2.810 1.00 44.41 C ATOM 106 O LYS A 8 5.894 -7.578 -2.812 1.00 14.52 O ATOM 107 CB LYS A 8 5.337 -10.325 -4.506 1.00 53.41 C ATOM 108 CG LYS A 8 3.901 -10.684 -4.846 1.00 72.24 C ATOM 109 CD LYS A 8 3.649 -10.617 -6.343 1.00 52.24 C ATOM 110 CE LYS A 8 2.297 -9.993 -6.654 1.00 33.15 C ATOM 111 NZ LYS A 8 2.191 -8.605 -6.124 1.00 65.21 N1+ ATOM 112 H LYS A 8 4.390 -11.652 -2.562 1.00 21.12 H ATOM 113 HA LYS A 8 6.591 -10.014 -2.799 1.00 40.23 H ATOM 114 HB2 LYS A 8 5.635 -9.494 -5.128 1.00 50.42 H ATOM 115 HB3 LYS A 8 5.962 -11.176 -4.733 1.00 43.14 H ATOM 116 HG2 LYS A 8 3.699 -11.688 -4.503 1.00 64.14 H ATOM 117 HG3 LYS A 8 3.238 -9.991 -4.347 1.00 70.44 H ATOM 118 HD2 LYS A 8 4.422 -10.019 -6.803 1.00 71.55 H ATOM 119 HD3 LYS A 8 3.675 -11.618 -6.750 1.00 24.25 H ATOM 120 HE2 LYS A 8 2.162 -9.972 -7.724 1.00 34.00 H ATOM 121 HE3 LYS A 8 1.524 -10.600 -6.205 1.00 71.02 H ATOM 122 HZ1 LYS A 8 2.018 -7.938 -6.903 1.00 61.22 H ATOM 123 HZ2 LYS A 8 3.074 -8.338 -5.644 1.00 44.03 H ATOM 124 HZ3 LYS A 8 1.407 -8.540 -5.445 1.00 32.11 H ATOM 125 N GLU A 9 3.781 -8.326 -2.612 1.00 72.53 N ATOM 126 CA GLU A 9 3.217 -7.002 -2.381 1.00 42.43 C ATOM 127 C GLU A 9 3.671 -6.022 -3.459 1.00 41.35 C ATOM 128 O GLU A 9 4.679 -5.334 -3.304 1.00 1.21 O ATOM 129 CB GLU A 9 3.625 -6.483 -1.001 1.00 2.02 C ATOM 130 CG GLU A 9 2.646 -6.850 0.101 1.00 32.23 C ATOM 131 CD GLU A 9 3.303 -7.611 1.237 1.00 43.55 C ATOM 132 OE1 GLU A 9 4.452 -7.271 1.590 1.00 10.23 O ATOM 133 OE2 GLU A 9 2.670 -8.545 1.771 1.00 42.32 O ATOM 134 H GLU A 9 3.185 -9.105 -2.622 1.00 42.54 H ATOM 135 HA GLU A 9 2.142 -7.087 -2.420 1.00 32.42 H ATOM 136 HB2 GLU A 9 4.592 -6.892 -0.747 1.00 32.51 H ATOM 137 HB3 GLU A 9 3.700 -5.406 -1.042 1.00 65.34 H ATOM 138 HG2 GLU A 9 2.214 -5.944 0.498 1.00 0.24 H ATOM 139 HG3 GLU A 9 1.864 -7.465 -0.320 1.00 22.54 H ATOM 140 N GLY A 10 2.919 -5.965 -4.554 1.00 53.03 N ATOM 141 CA GLY A 10 3.259 -5.068 -5.643 1.00 3.21 C ATOM 142 C GLY A 10 2.043 -4.379 -6.229 1.00 12.13 C ATOM 143 O GLY A 10 2.075 -3.181 -6.512 1.00 11.21 O ATOM 144 H GLY A 10 2.126 -6.537 -4.623 1.00 72.24 H ATOM 145 HA2 GLY A 10 3.943 -4.317 -5.276 1.00 23.33 H ATOM 146 HA3 GLY A 10 3.747 -5.635 -6.422 1.00 43.21 H ATOM 147 N HIS A 11 0.967 -5.137 -6.413 1.00 34.11 N ATOM 148 CA HIS A 11 -0.266 -4.592 -6.970 1.00 72.23 C ATOM 149 C HIS A 11 -1.270 -4.277 -5.865 1.00 63.40 C ATOM 150 O HIS A 11 -0.956 -4.389 -4.680 1.00 53.12 O ATOM 151 CB HIS A 11 -0.879 -5.577 -7.967 1.00 13.25 C ATOM 152 CG HIS A 11 -1.102 -6.944 -7.397 1.00 72.02 C ATOM 153 ND1 HIS A 11 -0.296 -8.023 -7.693 1.00 74.13 N ATOM 154 CD2 HIS A 11 -2.046 -7.404 -6.543 1.00 73.44 C ATOM 155 CE1 HIS A 11 -0.736 -9.088 -7.048 1.00 32.53 C ATOM 156 NE2 HIS A 11 -1.797 -8.740 -6.342 1.00 51.33 N ATOM 157 H HIS A 11 1.002 -6.085 -6.168 1.00 4.03 H ATOM 158 HA HIS A 11 -0.020 -3.677 -7.487 1.00 73.02 H ATOM 159 HB2 HIS A 11 -1.834 -5.196 -8.297 1.00 73.14 H ATOM 160 HB3 HIS A 11 -0.221 -5.674 -8.818 1.00 72.20 H ATOM 161 HD1 HIS A 11 0.481 -8.010 -8.289 1.00 71.33 H ATOM 162 HD2 HIS A 11 -2.848 -6.829 -6.102 1.00 1.10 H ATOM 163 HE1 HIS A 11 -0.303 -10.076 -7.089 1.00 24.44 H ATOM 164 N GLN A 12 -2.476 -3.884 -6.262 1.00 5.43 N ATOM 165 CA GLN A 12 -3.524 -3.551 -5.304 1.00 24.51 C ATOM 166 C GLN A 12 -4.469 -4.731 -5.101 1.00 53.31 C ATOM 167 O GLN A 12 -4.720 -5.504 -6.025 1.00 44.22 O ATOM 168 CB GLN A 12 -4.309 -2.328 -5.779 1.00 73.24 C ATOM 169 CG GLN A 12 -5.597 -2.094 -5.007 1.00 33.35 C ATOM 170 CD GLN A 12 -5.981 -0.629 -4.942 1.00 31.23 C ATOM 171 OE1 GLN A 12 -6.499 -0.068 -5.907 1.00 52.15 O ATOM 172 NE2 GLN A 12 -5.729 -0.001 -3.799 1.00 44.25 N ATOM 173 H GLN A 12 -2.665 -3.814 -7.220 1.00 65.41 H ATOM 174 HA GLN A 12 -3.050 -3.320 -4.362 1.00 12.21 H ATOM 175 HB2 GLN A 12 -3.687 -1.452 -5.674 1.00 31.20 H ATOM 176 HB3 GLN A 12 -4.560 -2.459 -6.822 1.00 4.02 H ATOM 177 HG2 GLN A 12 -6.396 -2.638 -5.489 1.00 63.31 H ATOM 178 HG3 GLN A 12 -5.469 -2.463 -4.000 1.00 34.15 H ATOM 179 HE21 GLN A 12 -5.313 -0.511 -3.073 1.00 22.41 H ATOM 180 HE22 GLN A 12 -5.966 0.947 -3.730 1.00 64.42 H ATOM 181 N MET A 13 -4.991 -4.862 -3.886 1.00 32.11 N ATOM 182 CA MET A 13 -5.910 -5.947 -3.563 1.00 33.24 C ATOM 183 C MET A 13 -7.112 -5.940 -4.502 1.00 63.24 C ATOM 184 O MET A 13 -7.543 -6.988 -4.984 1.00 65.21 O ATOM 185 CB MET A 13 -6.382 -5.829 -2.112 1.00 70.51 C ATOM 186 CG MET A 13 -7.033 -4.494 -1.791 1.00 42.21 C ATOM 187 SD MET A 13 -7.249 -4.234 -0.020 1.00 74.40 S ATOM 188 CE MET A 13 -5.558 -3.934 0.488 1.00 72.25 C ATOM 189 H MET A 13 -4.754 -4.214 -3.190 1.00 42.00 H ATOM 190 HA MET A 13 -5.378 -6.879 -3.684 1.00 54.22 H ATOM 191 HB2 MET A 13 -7.100 -6.612 -1.915 1.00 4.23 H ATOM 192 HB3 MET A 13 -5.533 -5.958 -1.458 1.00 4.52 H ATOM 193 HG2 MET A 13 -6.412 -3.702 -2.183 1.00 24.05 H ATOM 194 HG3 MET A 13 -8.001 -4.458 -2.268 1.00 12.51 H ATOM 195 HE1 MET A 13 -4.884 -4.417 -0.204 1.00 25.33 H ATOM 196 HE2 MET A 13 -5.368 -2.871 0.493 1.00 23.22 H ATOM 197 HE3 MET A 13 -5.404 -4.334 1.480 1.00 52.44 H ATOM 198 N LYS A 14 -7.649 -4.753 -4.759 1.00 53.44 N ATOM 199 CA LYS A 14 -8.801 -4.608 -5.642 1.00 63.23 C ATOM 200 C LYS A 14 -8.507 -5.193 -7.020 1.00 24.20 C ATOM 201 O LYS A 14 -9.392 -5.747 -7.672 1.00 14.33 O ATOM 202 CB LYS A 14 -9.186 -3.133 -5.775 1.00 32.15 C ATOM 203 CG LYS A 14 -10.545 -2.915 -6.418 1.00 3.22 C ATOM 204 CD LYS A 14 -10.458 -2.961 -7.934 1.00 64.21 C ATOM 205 CE LYS A 14 -11.396 -1.952 -8.577 1.00 41.34 C ATOM 206 NZ LYS A 14 -12.784 -2.480 -8.693 1.00 45.33 N1+ ATOM 207 H LYS A 14 -7.261 -3.953 -4.345 1.00 52.24 H ATOM 208 HA LYS A 14 -9.625 -5.149 -5.203 1.00 73.13 H ATOM 209 HB2 LYS A 14 -9.201 -2.688 -4.791 1.00 11.33 H ATOM 210 HB3 LYS A 14 -8.442 -2.632 -6.376 1.00 43.50 H ATOM 211 HG2 LYS A 14 -11.220 -3.688 -6.083 1.00 70.01 H ATOM 212 HG3 LYS A 14 -10.924 -1.948 -6.117 1.00 62.24 H ATOM 213 HD2 LYS A 14 -9.445 -2.737 -8.235 1.00 50.11 H ATOM 214 HD3 LYS A 14 -10.724 -3.953 -8.271 1.00 61.11 H ATOM 215 HE2 LYS A 14 -11.410 -1.057 -7.974 1.00 64.10 H ATOM 216 HE3 LYS A 14 -11.026 -1.715 -9.564 1.00 53.42 H ATOM 217 HZ1 LYS A 14 -12.828 -3.205 -9.437 1.00 74.14 H ATOM 218 HZ2 LYS A 14 -13.440 -1.710 -8.936 1.00 25.14 H ATOM 219 HZ3 LYS A 14 -13.081 -2.904 -7.792 1.00 11.12 H ATOM 220 N ASP A 15 -7.258 -5.068 -7.456 1.00 72.15 N ATOM 221 CA ASP A 15 -6.847 -5.587 -8.756 1.00 0.11 C ATOM 222 C ASP A 15 -6.161 -6.941 -8.608 1.00 32.51 C ATOM 223 O ASP A 15 -5.651 -7.501 -9.579 1.00 51.52 O ATOM 224 CB ASP A 15 -5.908 -4.599 -9.449 1.00 42.23 C ATOM 225 CG ASP A 15 -5.857 -4.804 -10.950 1.00 71.45 C ATOM 226 OD1 ASP A 15 -6.863 -5.280 -11.519 1.00 5.11 O ATOM 227 OD2 ASP A 15 -4.812 -4.489 -11.557 1.00 53.01 O ATOM 228 H ASP A 15 -6.597 -4.617 -6.891 1.00 10.43 H ATOM 229 HA ASP A 15 -7.734 -5.711 -9.359 1.00 45.53 H ATOM 230 HB2 ASP A 15 -6.247 -3.592 -9.254 1.00 51.21 H ATOM 231 HB3 ASP A 15 -4.911 -4.722 -9.053 1.00 44.40 H ATOM 232 N CYS A 16 -6.152 -7.464 -7.386 1.00 43.20 N ATOM 233 CA CYS A 16 -5.527 -8.752 -7.109 1.00 55.23 C ATOM 234 C CYS A 16 -6.284 -9.883 -7.801 1.00 44.50 C ATOM 235 O CYS A 16 -7.501 -9.816 -7.974 1.00 71.23 O ATOM 236 CB CYS A 16 -5.478 -9.005 -5.601 1.00 41.42 C ATOM 237 SG CYS A 16 -4.637 -10.552 -5.134 1.00 15.22 S ATOM 238 H CYS A 16 -6.575 -6.970 -6.651 1.00 60.45 H ATOM 239 HA CYS A 16 -4.519 -8.722 -7.494 1.00 14.43 H ATOM 240 HB2 CYS A 16 -4.953 -8.190 -5.124 1.00 43.45 H ATOM 241 HB3 CYS A 16 -6.487 -9.049 -5.218 1.00 4.11 H ATOM 242 N THR A 17 -5.553 -10.921 -8.195 1.00 33.43 N ATOM 243 CA THR A 17 -6.153 -12.066 -8.868 1.00 74.20 C ATOM 244 C THR A 17 -7.356 -12.591 -8.093 1.00 33.51 C ATOM 245 O THR A 17 -8.357 -12.997 -8.683 1.00 63.41 O ATOM 246 CB THR A 17 -5.136 -13.208 -9.050 1.00 24.03 C ATOM 247 OG1 THR A 17 -4.844 -13.811 -7.784 1.00 12.42 O ATOM 248 CG2 THR A 17 -3.850 -12.692 -9.679 1.00 74.34 C ATOM 249 H THR A 17 -4.588 -10.916 -8.028 1.00 44.23 H ATOM 250 HA THR A 17 -6.480 -11.744 -9.846 1.00 71.22 H ATOM 251 HB THR A 17 -5.566 -13.953 -9.704 1.00 10.22 H ATOM 252 HG1 THR A 17 -5.327 -14.637 -7.704 1.00 13.44 H ATOM 253 HG21 THR A 17 -4.088 -12.123 -10.566 1.00 25.53 H ATOM 254 HG22 THR A 17 -3.220 -13.527 -9.946 1.00 63.41 H ATOM 255 HG23 THR A 17 -3.332 -12.060 -8.974 1.00 32.44 H