ATOM 30 N CYS A 3 0.399 -5.325 -2.811 1.00 51.21 N ATOM 31 CA CYS A 3 -0.769 -5.896 -2.163 1.00 73.31 C ATOM 32 C CYS A 3 -0.589 -5.769 -0.649 1.00 72.31 C ATOM 33 O CYS A 3 0.305 -5.083 -0.154 1.00 20.30 O ATOM 34 CB CYS A 3 -1.000 -7.347 -2.591 1.00 33.24 C ATOM 35 SG CYS A 3 -2.749 -7.781 -2.921 1.00 31.20 S ATOM 36 H CYS A 3 1.140 -5.971 -2.993 1.00 31.21 H ATOM 37 HA CYS A 3 -1.629 -5.318 -2.500 1.00 51.55 H ATOM 38 HB2 CYS A 3 -0.434 -7.562 -3.497 1.00 20.53 H ATOM 39 HB3 CYS A 3 -0.636 -8.025 -1.819 1.00 0.15 H ATOM 40 N TRP A 4 -1.465 -6.451 0.080 1.00 74.25 N ATOM 41 CA TRP A 4 -1.426 -6.432 1.537 1.00 20.34 C ATOM 42 C TRP A 4 -1.071 -7.808 2.090 1.00 31.13 C ATOM 43 O TRP A 4 -0.605 -7.932 3.223 1.00 31.12 O ATOM 44 CB TRP A 4 -2.773 -5.975 2.099 1.00 75.53 C ATOM 45 CG TRP A 4 -3.921 -6.837 1.664 1.00 4.24 C ATOM 46 CD1 TRP A 4 -4.552 -6.811 0.454 1.00 71.43 C ATOM 47 CD2 TRP A 4 -4.573 -7.849 2.438 1.00 33.05 C ATOM 48 NE1 TRP A 4 -5.558 -7.747 0.429 1.00 52.04 N ATOM 49 CE2 TRP A 4 -5.591 -8.397 1.634 1.00 72.33 C ATOM 50 CE3 TRP A 4 -4.396 -8.347 3.732 1.00 63.11 C ATOM 51 CZ2 TRP A 4 -6.427 -9.417 2.083 1.00 43.44 C ATOM 52 CZ3 TRP A 4 -5.226 -9.359 4.176 1.00 0.51 C ATOM 53 CH2 TRP A 4 -6.231 -9.885 3.353 1.00 25.12 C ATOM 54 H TRP A 4 -2.156 -6.980 -0.373 1.00 64.12 H ATOM 55 HA TRP A 4 -0.664 -5.729 1.838 1.00 3.43 H ATOM 56 HB2 TRP A 4 -2.732 -5.994 3.177 1.00 33.44 H ATOM 57 HB3 TRP A 4 -2.969 -4.966 1.767 1.00 14.11 H ATOM 58 HD1 TRP A 4 -4.290 -6.147 -0.355 1.00 3.40 H ATOM 59 HE1 TRP A 4 -6.154 -7.921 -0.330 1.00 70.03 H ATOM 60 HE3 TRP A 4 -3.627 -7.954 4.381 1.00 30.30 H ATOM 61 HZ2 TRP A 4 -7.205 -9.833 1.460 1.00 31.42 H ATOM 62 HZ3 TRP A 4 -5.104 -9.756 5.173 1.00 10.31 H ATOM 63 HH2 TRP A 4 -6.856 -10.674 3.742 1.00 63.13 H ATOM 64 N LYS A 5 -1.294 -8.840 1.284 1.00 21.50 N ATOM 65 CA LYS A 5 -0.996 -10.208 1.692 1.00 73.44 C ATOM 66 C LYS A 5 -0.049 -10.878 0.700 1.00 14.35 C ATOM 67 O LYS A 5 0.752 -11.735 1.074 1.00 74.34 O ATOM 68 CB LYS A 5 -2.288 -11.021 1.807 1.00 52.41 C ATOM 69 CG LYS A 5 -2.859 -11.449 0.466 1.00 31.02 C ATOM 70 CD LYS A 5 -3.470 -10.275 -0.281 1.00 25.02 C ATOM 71 CE LYS A 5 -4.845 -10.619 -0.831 1.00 13.14 C ATOM 72 NZ LYS A 5 -4.844 -11.920 -1.554 1.00 70.52 N1+ ATOM 73 H LYS A 5 -1.667 -8.678 0.392 1.00 72.12 H ATOM 74 HA LYS A 5 -0.518 -10.170 2.658 1.00 2.14 H ATOM 75 HB2 LYS A 5 -2.091 -11.908 2.391 1.00 42.43 H ATOM 76 HB3 LYS A 5 -3.031 -10.423 2.316 1.00 4.11 H ATOM 77 HG2 LYS A 5 -2.067 -11.871 -0.134 1.00 43.21 H ATOM 78 HG3 LYS A 5 -3.623 -12.195 0.633 1.00 54.15 H ATOM 79 HD2 LYS A 5 -3.564 -9.439 0.396 1.00 43.43 H ATOM 80 HD3 LYS A 5 -2.820 -10.005 -1.102 1.00 33.22 H ATOM 81 HE2 LYS A 5 -5.543 -10.674 -0.009 1.00 73.15 H ATOM 82 HE3 LYS A 5 -5.152 -9.838 -1.511 1.00 64.44 H ATOM 83 HZ1 LYS A 5 -5.731 -12.034 -2.086 1.00 22.21 H ATOM 84 HZ2 LYS A 5 -4.756 -12.705 -0.878 1.00 21.23 H ATOM 85 HZ3 LYS A 5 -4.046 -11.959 -2.220 1.00 1.14 H ATOM 86 N CYS A 6 -0.145 -10.480 -0.564 1.00 14.54 N ATOM 87 CA CYS A 6 0.703 -11.040 -1.609 1.00 11.53 C ATOM 88 C CYS A 6 2.153 -10.600 -1.426 1.00 72.11 C ATOM 89 O CYS A 6 2.505 -9.454 -1.702 1.00 72.25 O ATOM 90 CB CYS A 6 0.198 -10.611 -2.988 1.00 65.12 C ATOM 91 SG CYS A 6 -1.530 -11.078 -3.326 1.00 2.42 S ATOM 92 H CYS A 6 -0.804 -9.792 -0.800 1.00 43.20 H ATOM 93 HA CYS A 6 0.654 -12.115 -1.535 1.00 72.23 H ATOM 94 HB2 CYS A 6 0.270 -9.536 -3.071 1.00 71.32 H ATOM 95 HB3 CYS A 6 0.817 -11.067 -3.747 1.00 30.31 H ATOM 96 N GLY A 7 2.990 -11.521 -0.958 1.00 62.15 N ATOM 97 CA GLY A 7 4.392 -11.210 -0.747 1.00 32.20 C ATOM 98 C GLY A 7 5.040 -10.595 -1.971 1.00 43.21 C ATOM 99 O GLY A 7 5.867 -9.689 -1.857 1.00 34.34 O ATOM 100 H GLY A 7 2.653 -12.419 -0.755 1.00 43.13 H ATOM 101 HA2 GLY A 7 4.475 -10.519 0.078 1.00 4.31 H ATOM 102 HA3 GLY A 7 4.916 -12.120 -0.495 1.00 65.33 H ATOM 103 N LYS A 8 4.667 -11.088 -3.147 1.00 42.32 N ATOM 104 CA LYS A 8 5.218 -10.582 -4.399 1.00 13.41 C ATOM 105 C LYS A 8 5.102 -9.062 -4.469 1.00 73.44 C ATOM 106 O LYS A 8 6.023 -8.381 -4.919 1.00 32.32 O ATOM 107 CB LYS A 8 4.496 -11.215 -5.590 1.00 54.34 C ATOM 108 CG LYS A 8 2.986 -11.259 -5.433 1.00 14.10 C ATOM 109 CD LYS A 8 2.299 -11.614 -6.741 1.00 33.30 C ATOM 110 CE LYS A 8 2.366 -10.466 -7.736 1.00 12.32 C ATOM 111 NZ LYS A 8 1.768 -9.218 -7.184 1.00 73.50 N1+ ATOM 112 H LYS A 8 4.004 -11.810 -3.174 1.00 40.30 H ATOM 113 HA LYS A 8 6.262 -10.853 -4.436 1.00 32.11 H ATOM 114 HB2 LYS A 8 4.728 -10.647 -6.480 1.00 34.24 H ATOM 115 HB3 LYS A 8 4.853 -12.227 -5.716 1.00 41.33 H ATOM 116 HG2 LYS A 8 2.731 -12.002 -4.692 1.00 64.20 H ATOM 117 HG3 LYS A 8 2.638 -10.289 -5.106 1.00 43.14 H ATOM 118 HD2 LYS A 8 2.786 -12.477 -7.171 1.00 40.30 H ATOM 119 HD3 LYS A 8 1.262 -11.847 -6.542 1.00 0.54 H ATOM 120 HE2 LYS A 8 3.400 -10.280 -7.982 1.00 72.35 H ATOM 121 HE3 LYS A 8 1.828 -10.748 -8.629 1.00 31.54 H ATOM 122 HZ1 LYS A 8 1.361 -8.647 -7.952 1.00 71.44 H ATOM 123 HZ2 LYS A 8 2.496 -8.657 -6.699 1.00 23.10 H ATOM 124 HZ3 LYS A 8 1.016 -9.452 -6.505 1.00 30.42 H ATOM 125 N GLU A 9 3.965 -8.539 -4.021 1.00 50.43 N ATOM 126 CA GLU A 9 3.731 -7.099 -4.034 1.00 34.43 C ATOM 127 C GLU A 9 4.000 -6.516 -5.418 1.00 24.22 C ATOM 128 O GLU A 9 5.114 -6.086 -5.716 1.00 32.11 O ATOM 129 CB GLU A 9 4.616 -6.407 -2.995 1.00 73.21 C ATOM 130 CG GLU A 9 4.054 -6.461 -1.584 1.00 42.22 C ATOM 131 CD GLU A 9 4.470 -5.268 -0.745 1.00 62.22 C ATOM 132 OE1 GLU A 9 5.278 -4.452 -1.235 1.00 44.22 O ATOM 133 OE2 GLU A 9 3.988 -5.151 0.401 1.00 63.32 O ATOM 134 H GLU A 9 3.268 -9.134 -3.675 1.00 12.21 H ATOM 135 HA GLU A 9 2.695 -6.930 -3.781 1.00 0.13 H ATOM 136 HB2 GLU A 9 5.586 -6.881 -2.993 1.00 60.51 H ATOM 137 HB3 GLU A 9 4.733 -5.370 -3.274 1.00 72.30 H ATOM 138 HG2 GLU A 9 2.976 -6.483 -1.640 1.00 62.50 H ATOM 139 HG3 GLU A 9 4.408 -7.361 -1.104 1.00 33.32 H ATOM 140 N GLY A 10 2.972 -6.506 -6.260 1.00 73.13 N ATOM 141 CA GLY A 10 3.118 -5.975 -7.603 1.00 14.32 C ATOM 142 C GLY A 10 1.859 -5.288 -8.094 1.00 50.25 C ATOM 143 O GLY A 10 1.906 -4.148 -8.558 1.00 73.15 O ATOM 144 H GLY A 10 2.107 -6.862 -5.968 1.00 32.43 H ATOM 145 HA2 GLY A 10 3.930 -5.263 -7.610 1.00 70.44 H ATOM 146 HA3 GLY A 10 3.357 -6.786 -8.275 1.00 33.03 H ATOM 147 N HIS A 11 0.730 -5.983 -7.995 1.00 0.52 N ATOM 148 CA HIS A 11 -0.547 -5.433 -8.434 1.00 54.43 C ATOM 149 C HIS A 11 -1.257 -4.721 -7.286 1.00 24.31 C ATOM 150 O HIS A 11 -0.704 -4.581 -6.195 1.00 43.15 O ATOM 151 CB HIS A 11 -1.440 -6.542 -8.991 1.00 62.12 C ATOM 152 CG HIS A 11 -1.641 -7.683 -8.041 1.00 43.44 C ATOM 153 ND1 HIS A 11 -1.056 -8.919 -8.216 1.00 32.21 N ATOM 154 CD2 HIS A 11 -2.366 -7.768 -6.901 1.00 65.24 C ATOM 155 CE1 HIS A 11 -1.414 -9.717 -7.225 1.00 51.33 C ATOM 156 NE2 HIS A 11 -2.208 -9.042 -6.414 1.00 33.24 N ATOM 157 H HIS A 11 0.757 -6.886 -7.616 1.00 51.14 H ATOM 158 HA HIS A 11 -0.348 -4.716 -9.217 1.00 33.13 H ATOM 159 HB2 HIS A 11 -2.411 -6.131 -9.225 1.00 2.21 H ATOM 160 HB3 HIS A 11 -0.994 -6.935 -9.894 1.00 20.35 H ATOM 161 HD1 HIS A 11 -0.468 -9.175 -8.956 1.00 51.24 H ATOM 162 HD2 HIS A 11 -2.958 -6.981 -6.457 1.00 54.22 H ATOM 163 HE1 HIS A 11 -1.109 -10.745 -7.100 1.00 13.25 H ATOM 164 N GLN A 12 -2.482 -4.274 -7.540 1.00 33.42 N ATOM 165 CA GLN A 12 -3.265 -3.576 -6.527 1.00 75.51 C ATOM 166 C GLN A 12 -4.189 -4.542 -5.792 1.00 74.13 C ATOM 167 O GLN A 12 -4.704 -5.493 -6.381 1.00 3.25 O ATOM 168 CB GLN A 12 -4.086 -2.456 -7.169 1.00 24.01 C ATOM 169 CG GLN A 12 -5.127 -1.855 -6.239 1.00 1.12 C ATOM 170 CD GLN A 12 -5.411 -0.398 -6.545 1.00 11.40 C ATOM 171 OE1 GLN A 12 -6.484 -0.053 -7.042 1.00 21.51 O ATOM 172 NE2 GLN A 12 -4.449 0.468 -6.249 1.00 42.32 N ATOM 173 H GLN A 12 -2.869 -4.417 -8.428 1.00 45.05 H ATOM 174 HA GLN A 12 -2.578 -3.145 -5.816 1.00 2.41 H ATOM 175 HB2 GLN A 12 -3.415 -1.669 -7.481 1.00 75.11 H ATOM 176 HB3 GLN A 12 -4.594 -2.850 -8.036 1.00 72.13 H ATOM 177 HG2 GLN A 12 -6.046 -2.413 -6.339 1.00 21.20 H ATOM 178 HG3 GLN A 12 -4.770 -1.931 -5.222 1.00 63.34 H ATOM 179 HE21 GLN A 12 -3.620 0.122 -5.856 1.00 62.13 H ATOM 180 HE22 GLN A 12 -4.605 1.416 -6.437 1.00 53.33 H ATOM 181 N MET A 13 -4.395 -4.291 -4.503 1.00 70.44 N ATOM 182 CA MET A 13 -5.258 -5.139 -3.689 1.00 11.23 C ATOM 183 C MET A 13 -6.680 -5.156 -4.240 1.00 14.43 C ATOM 184 O MET A 13 -7.336 -6.198 -4.264 1.00 3.42 O ATOM 185 CB MET A 13 -5.266 -4.651 -2.239 1.00 10.03 C ATOM 186 CG MET A 13 -5.768 -3.225 -2.080 1.00 72.01 C ATOM 187 SD MET A 13 -5.457 -2.558 -0.434 1.00 62.01 S ATOM 188 CE MET A 13 -7.103 -2.032 0.035 1.00 13.30 C ATOM 189 H MET A 13 -3.957 -3.518 -4.090 1.00 71.11 H ATOM 190 HA MET A 13 -4.861 -6.142 -3.719 1.00 61.32 H ATOM 191 HB2 MET A 13 -5.902 -5.301 -1.656 1.00 40.42 H ATOM 192 HB3 MET A 13 -4.260 -4.700 -1.849 1.00 33.52 H ATOM 193 HG2 MET A 13 -5.271 -2.599 -2.806 1.00 20.10 H ATOM 194 HG3 MET A 13 -6.832 -3.211 -2.264 1.00 53.44 H ATOM 195 HE1 MET A 13 -7.323 -1.080 -0.427 1.00 24.43 H ATOM 196 HE2 MET A 13 -7.823 -2.766 -0.294 1.00 71.32 H ATOM 197 HE3 MET A 13 -7.156 -1.931 1.110 1.00 72.15 H ATOM 198 N LYS A 14 -7.153 -3.995 -4.681 1.00 43.22 N ATOM 199 CA LYS A 14 -8.497 -3.875 -5.233 1.00 70.40 C ATOM 200 C LYS A 14 -8.673 -4.791 -6.440 1.00 40.03 C ATOM 201 O LYS A 14 -9.752 -5.341 -6.662 1.00 41.11 O ATOM 202 CB LYS A 14 -8.779 -2.426 -5.634 1.00 12.43 C ATOM 203 CG LYS A 14 -10.259 -2.108 -5.766 1.00 64.01 C ATOM 204 CD LYS A 14 -10.769 -2.404 -7.166 1.00 74.21 C ATOM 205 CE LYS A 14 -10.782 -1.153 -8.031 1.00 62.11 C ATOM 206 NZ LYS A 14 -11.281 -1.434 -9.406 1.00 34.14 N1+ ATOM 207 H LYS A 14 -6.582 -3.198 -4.636 1.00 33.43 H ATOM 208 HA LYS A 14 -9.198 -4.171 -4.467 1.00 24.11 H ATOM 209 HB2 LYS A 14 -8.357 -1.770 -4.887 1.00 2.41 H ATOM 210 HB3 LYS A 14 -8.304 -2.228 -6.584 1.00 22.41 H ATOM 211 HG2 LYS A 14 -10.811 -2.708 -5.059 1.00 32.24 H ATOM 212 HG3 LYS A 14 -10.413 -1.060 -5.550 1.00 72.33 H ATOM 213 HD2 LYS A 14 -10.127 -3.140 -7.627 1.00 1.15 H ATOM 214 HD3 LYS A 14 -11.775 -2.794 -7.098 1.00 32.31 H ATOM 215 HE2 LYS A 14 -11.422 -0.418 -7.568 1.00 44.43 H ATOM 216 HE3 LYS A 14 -9.776 -0.766 -8.095 1.00 43.20 H ATOM 217 HZ1 LYS A 14 -11.580 -2.428 -9.481 1.00 3.32 H ATOM 218 HZ2 LYS A 14 -10.530 -1.256 -10.102 1.00 71.11 H ATOM 219 HZ3 LYS A 14 -12.093 -0.822 -9.623 1.00 53.10 H ATOM 220 N ASP A 15 -7.607 -4.951 -7.216 1.00 5.00 N ATOM 221 CA ASP A 15 -7.643 -5.802 -8.399 1.00 64.44 C ATOM 222 C ASP A 15 -7.047 -7.174 -8.100 1.00 61.50 C ATOM 223 O ASP A 15 -6.938 -8.022 -8.986 1.00 65.42 O ATOM 224 CB ASP A 15 -6.883 -5.143 -9.552 1.00 21.15 C ATOM 225 CG ASP A 15 -7.539 -3.858 -10.017 1.00 45.20 C ATOM 226 OD1 ASP A 15 -7.855 -3.009 -9.158 1.00 2.31 O ATOM 227 OD2 ASP A 15 -7.736 -3.701 -11.240 1.00 73.44 O ATOM 228 H ASP A 15 -6.775 -4.486 -6.987 1.00 4.23 H ATOM 229 HA ASP A 15 -8.676 -5.927 -8.687 1.00 23.44 H ATOM 230 HB2 ASP A 15 -5.878 -4.915 -9.228 1.00 24.52 H ATOM 231 HB3 ASP A 15 -6.842 -5.828 -10.386 1.00 22.14 H ATOM 232 N CYS A 16 -6.662 -7.386 -6.846 1.00 10.11 N ATOM 233 CA CYS A 16 -6.076 -8.654 -6.429 1.00 3.22 C ATOM 234 C CYS A 16 -7.052 -9.805 -6.655 1.00 3.11 C ATOM 235 O CYS A 16 -8.263 -9.648 -6.497 1.00 1.22 O ATOM 236 CB CYS A 16 -5.674 -8.593 -4.954 1.00 33.33 C ATOM 237 SG CYS A 16 -4.951 -10.139 -4.316 1.00 13.01 S ATOM 238 H CYS A 16 -6.775 -6.671 -6.184 1.00 1.02 H ATOM 239 HA CYS A 16 -5.193 -8.824 -7.026 1.00 51.13 H ATOM 240 HB2 CYS A 16 -4.943 -7.810 -4.820 1.00 1.45 H ATOM 241 HB3 CYS A 16 -6.548 -8.369 -4.360 1.00 2.33 H ATOM 242 N THR A 17 -6.516 -10.964 -7.026 1.00 42.30 N ATOM 243 CA THR A 17 -7.338 -12.141 -7.275 1.00 21.11 C ATOM 244 C THR A 17 -7.530 -12.956 -6.001 1.00 73.54 C ATOM 245 O THR A 17 -7.362 -14.175 -6.003 1.00 60.32 O ATOM 246 CB THR A 17 -6.716 -13.042 -8.359 1.00 3.25 C ATOM 247 OG1 THR A 17 -5.577 -13.730 -7.829 1.00 41.21 O ATOM 248 CG2 THR A 17 -6.301 -12.222 -9.571 1.00 22.10 C ATOM 249 H THR A 17 -5.544 -11.026 -7.135 1.00 70.34 H ATOM 250 HA THR A 17 -8.303 -11.806 -7.626 1.00 12.23 H ATOM 251 HB THR A 17 -7.453 -13.768 -8.669 1.00 35.03 H ATOM 252 HG1 THR A 17 -5.325 -14.439 -8.426 1.00 14.01 H ATOM 253 HG21 THR A 17 -7.177 -11.790 -10.030 1.00 13.14 H ATOM 254 HG22 THR A 17 -5.800 -12.861 -10.283 1.00 51.14 H ATOM 255 HG23 THR A 17 -5.631 -11.434 -9.260 1.00 60.15 H