ATOM 30 N CYS A 3 0.305 -5.721 -1.728 1.00 53.41 N ATOM 31 CA CYS A 3 -0.938 -6.394 -1.393 1.00 30.54 C ATOM 32 C CYS A 3 -1.022 -6.517 0.130 1.00 13.31 C ATOM 33 O CYS A 3 -0.250 -5.915 0.876 1.00 22.44 O ATOM 34 CB CYS A 3 -1.047 -7.756 -2.081 1.00 62.44 C ATOM 35 SG CYS A 3 -2.701 -8.140 -2.768 1.00 52.43 S ATOM 36 H CYS A 3 0.981 -6.290 -2.196 1.00 1.52 H ATOM 37 HA CYS A 3 -1.746 -5.771 -1.776 1.00 63.12 H ATOM 38 HB2 CYS A 3 -0.331 -7.817 -2.901 1.00 51.33 H ATOM 39 HB3 CYS A 3 -0.793 -8.550 -1.378 1.00 55.03 H ATOM 40 N TRP A 4 -1.985 -7.315 0.577 1.00 53.23 N ATOM 41 CA TRP A 4 -2.195 -7.535 2.003 1.00 22.32 C ATOM 42 C TRP A 4 -1.875 -8.977 2.384 1.00 51.41 C ATOM 43 O TRP A 4 -1.620 -9.280 3.550 1.00 44.54 O ATOM 44 CB TRP A 4 -3.638 -7.202 2.385 1.00 1.11 C ATOM 45 CG TRP A 4 -4.653 -8.015 1.639 1.00 4.52 C ATOM 46 CD1 TRP A 4 -5.074 -7.821 0.355 1.00 52.32 C ATOM 47 CD2 TRP A 4 -5.374 -9.148 2.134 1.00 52.02 C ATOM 48 NE1 TRP A 4 -6.014 -8.765 0.021 1.00 35.50 N ATOM 49 CE2 TRP A 4 -6.215 -9.592 1.095 1.00 54.12 C ATOM 50 CE3 TRP A 4 -5.390 -9.832 3.352 1.00 30.30 C ATOM 51 CZ2 TRP A 4 -7.063 -10.687 1.240 1.00 65.30 C ATOM 52 CZ3 TRP A 4 -6.232 -10.919 3.495 1.00 64.03 C ATOM 53 CH2 TRP A 4 -7.058 -11.339 2.444 1.00 42.55 C ATOM 54 H TRP A 4 -2.570 -7.767 -0.068 1.00 4.22 H ATOM 55 HA TRP A 4 -1.528 -6.877 2.541 1.00 54.12 H ATOM 56 HB2 TRP A 4 -3.776 -7.384 3.440 1.00 3.24 H ATOM 57 HB3 TRP A 4 -3.826 -6.159 2.176 1.00 41.33 H ATOM 58 HD1 TRP A 4 -4.714 -7.035 -0.291 1.00 50.22 H ATOM 59 HE1 TRP A 4 -6.466 -8.837 -0.846 1.00 53.52 H ATOM 60 HE3 TRP A 4 -4.761 -9.524 4.174 1.00 65.21 H ATOM 61 HZ2 TRP A 4 -7.705 -11.023 0.439 1.00 21.31 H ATOM 62 HZ3 TRP A 4 -6.258 -11.460 4.429 1.00 22.02 H ATOM 63 HH2 TRP A 4 -7.699 -12.192 2.600 1.00 71.14 H ATOM 64 N LYS A 5 -1.891 -9.863 1.394 1.00 3.11 N ATOM 65 CA LYS A 5 -1.601 -11.273 1.625 1.00 61.15 C ATOM 66 C LYS A 5 -0.486 -11.757 0.703 1.00 5.04 C ATOM 67 O LYS A 5 0.294 -12.638 1.066 1.00 63.43 O ATOM 68 CB LYS A 5 -2.859 -12.116 1.406 1.00 73.05 C ATOM 69 CG LYS A 5 -3.199 -12.332 -0.059 1.00 34.01 C ATOM 70 CD LYS A 5 -3.720 -11.059 -0.704 1.00 43.53 C ATOM 71 CE LYS A 5 -4.968 -11.323 -1.532 1.00 11.11 C ATOM 72 NZ LYS A 5 -4.789 -12.480 -2.452 1.00 41.00 N1+ ATOM 73 H LYS A 5 -2.102 -9.561 0.485 1.00 4.53 H ATOM 74 HA LYS A 5 -1.278 -11.383 2.649 1.00 54.52 H ATOM 75 HB2 LYS A 5 -2.716 -13.082 1.867 1.00 63.14 H ATOM 76 HB3 LYS A 5 -3.696 -11.622 1.878 1.00 2.25 H ATOM 77 HG2 LYS A 5 -2.310 -12.651 -0.583 1.00 14.24 H ATOM 78 HG3 LYS A 5 -3.958 -13.098 -0.134 1.00 22.54 H ATOM 79 HD2 LYS A 5 -3.959 -10.345 0.070 1.00 53.33 H ATOM 80 HD3 LYS A 5 -2.952 -10.651 -1.347 1.00 23.31 H ATOM 81 HE2 LYS A 5 -5.790 -11.529 -0.864 1.00 30.32 H ATOM 82 HE3 LYS A 5 -5.191 -10.441 -2.115 1.00 22.32 H ATOM 83 HZ1 LYS A 5 -5.070 -13.361 -1.976 1.00 71.23 H ATOM 84 HZ2 LYS A 5 -3.792 -12.557 -2.739 1.00 34.41 H ATOM 85 HZ3 LYS A 5 -5.375 -12.355 -3.302 1.00 23.10 H ATOM 86 N CYS A 6 -0.414 -11.174 -0.489 1.00 33.33 N ATOM 87 CA CYS A 6 0.606 -11.545 -1.462 1.00 1.32 C ATOM 88 C CYS A 6 1.993 -11.130 -0.980 1.00 43.52 C ATOM 89 O CYS A 6 2.353 -9.954 -1.029 1.00 32.02 O ATOM 90 CB CYS A 6 0.309 -10.897 -2.815 1.00 40.54 C ATOM 91 SG CYS A 6 -1.325 -11.320 -3.500 1.00 70.41 S ATOM 92 H CYS A 6 -1.065 -10.477 -0.720 1.00 64.43 H ATOM 93 HA CYS A 6 0.584 -12.618 -1.574 1.00 31.02 H ATOM 94 HB2 CYS A 6 0.351 -9.822 -2.708 1.00 72.33 H ATOM 95 HB3 CYS A 6 1.057 -11.211 -3.528 1.00 74.25 H ATOM 96 N GLY A 7 2.769 -12.104 -0.515 1.00 72.52 N ATOM 97 CA GLY A 7 4.107 -11.821 -0.032 1.00 4.24 C ATOM 98 C GLY A 7 4.933 -11.040 -1.035 1.00 12.12 C ATOM 99 O GLY A 7 5.725 -10.175 -0.660 1.00 31.02 O ATOM 100 H GLY A 7 2.429 -13.024 -0.500 1.00 41.23 H ATOM 101 HA2 GLY A 7 4.035 -11.250 0.882 1.00 51.32 H ATOM 102 HA3 GLY A 7 4.607 -12.755 0.179 1.00 62.15 H ATOM 103 N LYS A 8 4.750 -11.345 -2.315 1.00 33.41 N ATOM 104 CA LYS A 8 5.483 -10.667 -3.377 1.00 5.35 C ATOM 105 C LYS A 8 5.373 -9.152 -3.232 1.00 74.33 C ATOM 106 O LYS A 8 6.346 -8.428 -3.438 1.00 11.14 O ATOM 107 CB LYS A 8 4.956 -11.099 -4.746 1.00 73.23 C ATOM 108 CG LYS A 8 3.440 -11.146 -4.827 1.00 33.41 C ATOM 109 CD LYS A 8 2.960 -11.241 -6.266 1.00 24.43 C ATOM 110 CE LYS A 8 3.207 -9.945 -7.022 1.00 62.11 C ATOM 111 NZ LYS A 8 2.584 -8.777 -6.340 1.00 33.52 N1+ ATOM 112 H LYS A 8 4.104 -12.044 -2.552 1.00 31.44 H ATOM 113 HA LYS A 8 6.522 -10.949 -3.295 1.00 21.12 H ATOM 114 HB2 LYS A 8 5.314 -10.405 -5.492 1.00 53.03 H ATOM 115 HB3 LYS A 8 5.338 -12.085 -4.971 1.00 50.42 H ATOM 116 HG2 LYS A 8 3.086 -12.010 -4.283 1.00 51.23 H ATOM 117 HG3 LYS A 8 3.037 -10.248 -4.381 1.00 74.02 H ATOM 118 HD2 LYS A 8 3.491 -12.041 -6.761 1.00 45.51 H ATOM 119 HD3 LYS A 8 1.901 -11.454 -6.270 1.00 33.34 H ATOM 120 HE2 LYS A 8 4.272 -9.783 -7.094 1.00 54.33 H ATOM 121 HE3 LYS A 8 2.789 -10.037 -8.014 1.00 22.43 H ATOM 122 HZ1 LYS A 8 2.304 -8.062 -7.041 1.00 5.31 H ATOM 123 HZ2 LYS A 8 3.259 -8.350 -5.675 1.00 1.31 H ATOM 124 HZ3 LYS A 8 1.739 -9.080 -5.813 1.00 45.24 H ATOM 125 N GLU A 9 4.181 -8.682 -2.877 1.00 2.33 N ATOM 126 CA GLU A 9 3.945 -7.253 -2.705 1.00 23.13 C ATOM 127 C GLU A 9 4.406 -6.474 -3.933 1.00 52.32 C ATOM 128 O GLU A 9 5.549 -6.024 -4.004 1.00 73.11 O ATOM 129 CB GLU A 9 4.672 -6.740 -1.460 1.00 12.13 C ATOM 130 CG GLU A 9 3.765 -6.570 -0.253 1.00 11.25 C ATOM 131 CD GLU A 9 4.386 -5.705 0.827 1.00 65.10 C ATOM 132 OE1 GLU A 9 4.674 -4.522 0.548 1.00 32.44 O ATOM 133 OE2 GLU A 9 4.585 -6.212 1.951 1.00 63.00 O ATOM 134 H GLU A 9 3.444 -9.310 -2.727 1.00 50.33 H ATOM 135 HA GLU A 9 2.884 -7.105 -2.577 1.00 34.31 H ATOM 136 HB2 GLU A 9 5.455 -7.438 -1.201 1.00 54.41 H ATOM 137 HB3 GLU A 9 5.117 -5.782 -1.687 1.00 34.31 H ATOM 138 HG2 GLU A 9 2.842 -6.110 -0.573 1.00 42.13 H ATOM 139 HG3 GLU A 9 3.554 -7.544 0.164 1.00 44.02 H ATOM 140 N GLY A 10 3.506 -6.319 -4.900 1.00 42.50 N ATOM 141 CA GLY A 10 3.838 -5.594 -6.113 1.00 64.40 C ATOM 142 C GLY A 10 2.655 -4.832 -6.675 1.00 42.15 C ATOM 143 O GLY A 10 2.770 -3.653 -7.012 1.00 43.02 O ATOM 144 H GLY A 10 2.610 -6.699 -4.789 1.00 12.04 H ATOM 145 HA2 GLY A 10 4.633 -4.897 -5.896 1.00 43.54 H ATOM 146 HA3 GLY A 10 4.184 -6.299 -6.856 1.00 13.32 H ATOM 147 N HIS A 11 1.514 -5.506 -6.779 1.00 41.25 N ATOM 148 CA HIS A 11 0.304 -4.884 -7.307 1.00 24.14 C ATOM 149 C HIS A 11 -0.590 -4.390 -6.174 1.00 13.02 C ATOM 150 O HIS A 11 -0.213 -4.445 -5.004 1.00 24.21 O ATOM 151 CB HIS A 11 -0.463 -5.874 -8.183 1.00 62.41 C ATOM 152 CG HIS A 11 -0.775 -7.167 -7.494 1.00 71.12 C ATOM 153 ND1 HIS A 11 -0.048 -8.321 -7.694 1.00 23.30 N ATOM 154 CD2 HIS A 11 -1.742 -7.483 -6.602 1.00 34.53 C ATOM 155 CE1 HIS A 11 -0.555 -9.292 -6.956 1.00 20.24 C ATOM 156 NE2 HIS A 11 -1.584 -8.810 -6.283 1.00 11.32 N ATOM 157 H HIS A 11 1.485 -6.443 -6.495 1.00 10.23 H ATOM 158 HA HIS A 11 0.601 -4.039 -7.909 1.00 3.13 H ATOM 159 HB2 HIS A 11 -1.398 -5.427 -8.487 1.00 4.21 H ATOM 160 HB3 HIS A 11 0.125 -6.099 -9.061 1.00 65.12 H ATOM 161 HD1 HIS A 11 0.724 -8.415 -8.290 1.00 23.24 H ATOM 162 HD2 HIS A 11 -2.499 -6.817 -6.212 1.00 53.03 H ATOM 163 HE1 HIS A 11 -0.191 -10.307 -6.909 1.00 24.50 H ATOM 164 N GLN A 12 -1.776 -3.907 -6.531 1.00 10.05 N ATOM 165 CA GLN A 12 -2.723 -3.402 -5.543 1.00 41.14 C ATOM 166 C GLN A 12 -3.758 -4.464 -5.188 1.00 62.34 C ATOM 167 O GLN A 12 -4.167 -5.254 -6.039 1.00 33.13 O ATOM 168 CB GLN A 12 -3.422 -2.148 -6.071 1.00 72.04 C ATOM 169 CG GLN A 12 -4.636 -1.739 -5.253 1.00 53.54 C ATOM 170 CD GLN A 12 -4.859 -0.239 -5.250 1.00 71.03 C ATOM 171 OE1 GLN A 12 -4.932 0.392 -6.305 1.00 64.34 O ATOM 172 NE2 GLN A 12 -4.969 0.341 -4.061 1.00 34.12 N ATOM 173 H GLN A 12 -2.019 -3.890 -7.479 1.00 54.50 H ATOM 174 HA GLN A 12 -2.169 -3.146 -4.653 1.00 45.23 H ATOM 175 HB2 GLN A 12 -2.719 -1.329 -6.067 1.00 3.00 H ATOM 176 HB3 GLN A 12 -3.744 -2.330 -7.086 1.00 70.22 H ATOM 177 HG2 GLN A 12 -5.512 -2.216 -5.668 1.00 42.33 H ATOM 178 HG3 GLN A 12 -4.496 -2.069 -4.235 1.00 30.31 H ATOM 179 HE21 GLN A 12 -4.900 -0.224 -3.263 1.00 31.44 H ATOM 180 HE22 GLN A 12 -5.113 1.309 -4.029 1.00 61.13 H ATOM 181 N MET A 13 -4.176 -4.478 -3.927 1.00 52.40 N ATOM 182 CA MET A 13 -5.164 -5.443 -3.460 1.00 74.22 C ATOM 183 C MET A 13 -6.448 -5.347 -4.279 1.00 64.14 C ATOM 184 O MET A 13 -7.049 -6.362 -4.632 1.00 43.14 O ATOM 185 CB MET A 13 -5.473 -5.214 -1.979 1.00 64.23 C ATOM 186 CG MET A 13 -6.001 -3.821 -1.677 1.00 21.42 C ATOM 187 SD MET A 13 -6.058 -3.469 0.091 1.00 53.04 S ATOM 188 CE MET A 13 -7.313 -2.191 0.140 1.00 25.35 C ATOM 189 H MET A 13 -3.813 -3.822 -3.295 1.00 30.50 H ATOM 190 HA MET A 13 -4.746 -6.431 -3.583 1.00 41.20 H ATOM 191 HB2 MET A 13 -6.213 -5.933 -1.663 1.00 31.35 H ATOM 192 HB3 MET A 13 -4.569 -5.364 -1.408 1.00 22.41 H ATOM 193 HG2 MET A 13 -5.359 -3.096 -2.153 1.00 4.52 H ATOM 194 HG3 MET A 13 -6.999 -3.735 -2.080 1.00 40.12 H ATOM 195 HE1 MET A 13 -7.005 -1.360 -0.477 1.00 21.22 H ATOM 196 HE2 MET A 13 -8.246 -2.589 -0.230 1.00 2.22 H ATOM 197 HE3 MET A 13 -7.443 -1.855 1.159 1.00 44.41 H ATOM 198 N LYS A 14 -6.863 -4.121 -4.579 1.00 3.13 N ATOM 199 CA LYS A 14 -8.074 -3.891 -5.357 1.00 70.42 C ATOM 200 C LYS A 14 -7.987 -4.580 -6.715 1.00 64.14 C ATOM 201 O LYS A 14 -8.987 -5.069 -7.239 1.00 75.44 O ATOM 202 CB LYS A 14 -8.305 -2.391 -5.548 1.00 53.35 C ATOM 203 CG LYS A 14 -9.737 -2.037 -5.911 1.00 34.42 C ATOM 204 CD LYS A 14 -9.959 -2.078 -7.414 1.00 23.15 C ATOM 205 CE LYS A 14 -9.822 -0.696 -8.035 1.00 32.44 C ATOM 206 NZ LYS A 14 -11.020 0.150 -7.774 1.00 62.53 N1+ ATOM 207 H LYS A 14 -6.341 -3.351 -4.269 1.00 5.31 H ATOM 208 HA LYS A 14 -8.905 -4.308 -4.809 1.00 20.05 H ATOM 209 HB2 LYS A 14 -8.051 -1.880 -4.631 1.00 54.35 H ATOM 210 HB3 LYS A 14 -7.659 -2.037 -6.339 1.00 4.14 H ATOM 211 HG2 LYS A 14 -10.403 -2.745 -5.441 1.00 35.45 H ATOM 212 HG3 LYS A 14 -9.955 -1.042 -5.551 1.00 1.32 H ATOM 213 HD2 LYS A 14 -9.226 -2.734 -7.859 1.00 71.41 H ATOM 214 HD3 LYS A 14 -10.952 -2.456 -7.612 1.00 64.23 H ATOM 215 HE2 LYS A 14 -8.953 -0.213 -7.617 1.00 2.51 H ATOM 216 HE3 LYS A 14 -9.695 -0.807 -9.101 1.00 41.24 H ATOM 217 HZ1 LYS A 14 -11.769 -0.072 -8.461 1.00 34.15 H ATOM 218 HZ2 LYS A 14 -10.772 1.156 -7.862 1.00 34.35 H ATOM 219 HZ3 LYS A 14 -11.380 -0.026 -6.815 1.00 21.13 H ATOM 220 N ASP A 15 -6.784 -4.616 -7.279 1.00 53.31 N ATOM 221 CA ASP A 15 -6.566 -5.247 -8.575 1.00 70.24 C ATOM 222 C ASP A 15 -6.041 -6.669 -8.405 1.00 64.35 C ATOM 223 O ASP A 15 -5.749 -7.356 -9.385 1.00 71.11 O ATOM 224 CB ASP A 15 -5.583 -4.423 -9.409 1.00 33.30 C ATOM 225 CG ASP A 15 -5.689 -4.722 -10.891 1.00 73.15 C ATOM 226 OD1 ASP A 15 -6.645 -4.231 -11.529 1.00 64.32 O ATOM 227 OD2 ASP A 15 -4.817 -5.446 -11.414 1.00 44.13 O ATOM 228 H ASP A 15 -6.025 -4.208 -6.812 1.00 20.12 H ATOM 229 HA ASP A 15 -7.515 -5.287 -9.089 1.00 44.51 H ATOM 230 HB2 ASP A 15 -5.785 -3.373 -9.257 1.00 51.23 H ATOM 231 HB3 ASP A 15 -4.576 -4.643 -9.087 1.00 11.53 H ATOM 232 N CYS A 16 -5.921 -7.105 -7.156 1.00 2.01 N ATOM 233 CA CYS A 16 -5.429 -8.444 -6.856 1.00 70.33 C ATOM 234 C CYS A 16 -6.373 -9.507 -7.411 1.00 34.15 C ATOM 235 O CYS A 16 -7.586 -9.304 -7.476 1.00 13.24 O ATOM 236 CB CYS A 16 -5.270 -8.626 -5.345 1.00 42.35 C ATOM 237 SG CYS A 16 -4.580 -10.240 -4.859 1.00 44.11 S ATOM 238 H CYS A 16 -6.169 -6.511 -6.416 1.00 52.30 H ATOM 239 HA CYS A 16 -4.464 -8.557 -7.327 1.00 54.22 H ATOM 240 HB2 CYS A 16 -4.609 -7.859 -4.966 1.00 75.33 H ATOM 241 HB3 CYS A 16 -6.237 -8.526 -4.875 1.00 4.43 H ATOM 242 N THR A 17 -5.809 -10.643 -7.809 1.00 43.33 N ATOM 243 CA THR A 17 -6.599 -11.737 -8.359 1.00 23.43 C ATOM 244 C THR A 17 -7.773 -12.079 -7.448 1.00 42.15 C ATOM 245 O THR A 17 -8.867 -12.384 -7.921 1.00 13.51 O ATOM 246 CB THR A 17 -5.741 -13.000 -8.567 1.00 0.21 C ATOM 247 OG1 THR A 17 -5.394 -13.571 -7.300 1.00 52.23 O ATOM 248 CG2 THR A 17 -4.475 -12.672 -9.345 1.00 13.04 C ATOM 249 H THR A 17 -4.837 -10.745 -7.732 1.00 52.13 H ATOM 250 HA THR A 17 -6.980 -11.424 -9.320 1.00 22.02 H ATOM 251 HB THR A 17 -6.317 -13.719 -9.132 1.00 0.22 H ATOM 252 HG1 THR A 17 -5.136 -14.488 -7.422 1.00 53.24 H ATOM 253 HG21 THR A 17 -3.822 -12.071 -8.730 1.00 65.45 H ATOM 254 HG22 THR A 17 -4.734 -12.123 -10.238 1.00 62.32 H ATOM 255 HG23 THR A 17 -3.973 -13.588 -9.617 1.00 21.10 H