ATOM 27 N PRO A 2 11.586 -1.636 1.600 1.00 0.48 N ATOM 28 CA PRO A 2 10.439 -1.279 0.767 1.00 0.37 C ATOM 29 C PRO A 2 9.116 -1.594 1.452 1.00 0.31 C ATOM 30 O PRO A 2 8.997 -2.577 2.192 1.00 0.43 O ATOM 31 CB PRO A 2 10.612 -2.143 -0.482 1.00 0.45 C ATOM 32 CG PRO A 2 11.418 -3.310 -0.030 1.00 0.58 C ATOM 33 CD PRO A 2 12.321 -2.796 1.061 1.00 0.63 C ATOM 34 HA PRO A 2 10.460 -0.234 0.494 1.00 0.40 H ATOM 35 HB2 PRO A 2 9.641 -2.450 -0.847 1.00 0.46 H ATOM 36 HB3 PRO A 2 11.128 -1.579 -1.244 1.00 0.51 H ATOM 37 HG2 PRO A 2 10.763 -4.079 0.355 1.00 0.60 H ATOM 38 HG3 PRO A 2 12.002 -3.692 -0.852 1.00 0.69 H ATOM 39 HD2 PRO A 2 12.460 -3.550 1.820 1.00 0.74 H ATOM 40 HD3 PRO A 2 13.272 -2.490 0.652 1.00 0.73 H ATOM 41 N PHE A 3 8.127 -0.760 1.197 1.00 0.19 N ATOM 42 CA PHE A 3 6.814 -0.917 1.794 1.00 0.16 C ATOM 43 C PHE A 3 5.964 -1.834 0.929 1.00 0.15 C ATOM 44 O PHE A 3 5.564 -1.465 -0.168 1.00 0.18 O ATOM 45 CB PHE A 3 6.146 0.450 1.953 1.00 0.14 C ATOM 46 CG PHE A 3 6.931 1.399 2.812 1.00 0.15 C ATOM 47 CD1 PHE A 3 7.804 2.304 2.238 1.00 0.14 C ATOM 48 CD2 PHE A 3 6.792 1.385 4.190 1.00 0.22 C ATOM 49 CE1 PHE A 3 8.527 3.181 3.023 1.00 0.17 C ATOM 50 CE2 PHE A 3 7.512 2.260 4.980 1.00 0.25 C ATOM 51 CZ PHE A 3 8.382 3.147 4.408 1.00 0.21 C ATOM 52 H PHE A 3 8.279 -0.018 0.570 1.00 0.19 H ATOM 53 HA PHE A 3 6.939 -1.367 2.769 1.00 0.22 H ATOM 54 HB2 PHE A 3 6.027 0.902 0.981 1.00 0.13 H ATOM 55 HB3 PHE A 3 5.178 0.319 2.402 1.00 0.19 H ATOM 56 HD1 PHE A 3 7.919 2.322 1.164 1.00 0.16 H ATOM 57 HD2 PHE A 3 6.113 0.681 4.649 1.00 0.26 H ATOM 58 HE1 PHE A 3 9.206 3.881 2.562 1.00 0.19 H ATOM 59 HE2 PHE A 3 7.396 2.239 6.053 1.00 0.31 H ATOM 60 HZ PHE A 3 8.946 3.827 5.030 1.00 0.24 H ATOM 80 N CYS A 5 2.640 -4.231 0.154 1.00 0.13 N ATOM 81 CA CYS A 5 1.242 -4.476 0.463 1.00 0.18 C ATOM 82 C CYS A 5 1.065 -5.896 0.991 1.00 0.29 C ATOM 83 O CYS A 5 1.604 -6.850 0.428 1.00 0.33 O ATOM 84 CB CYS A 5 0.368 -4.257 -0.773 1.00 0.13 C ATOM 85 SG CYS A 5 -1.368 -4.691 -0.521 1.00 0.20 S ATOM 86 H CYS A 5 2.911 -4.103 -0.783 1.00 0.11 H ATOM 87 HA CYS A 5 0.946 -3.781 1.232 1.00 0.26 H ATOM 88 HB2 CYS A 5 0.407 -3.214 -1.053 1.00 0.17 H ATOM 89 HB3 CYS A 5 0.746 -4.856 -1.584 1.00 0.13 H ATOM 90 N THR A 6 0.318 -6.029 2.074 1.00 0.42 N ATOM 91 CA THR A 6 0.126 -7.317 2.716 1.00 0.57 C ATOM 92 C THR A 6 -1.291 -7.846 2.512 1.00 0.46 C ATOM 93 O THR A 6 -1.748 -8.722 3.249 1.00 0.49 O ATOM 94 CB THR A 6 0.430 -7.219 4.221 1.00 0.85 C ATOM 95 OG1 THR A 6 -0.150 -6.021 4.756 1.00 1.31 O ATOM 96 CG2 THR A 6 1.930 -7.219 4.473 1.00 1.22 C ATOM 97 H THR A 6 -0.115 -5.239 2.458 1.00 0.45 H ATOM 98 HA THR A 6 0.824 -8.012 2.277 1.00 0.64 H ATOM 99 HB THR A 6 -0.005 -8.073 4.718 1.00 0.76 H ATOM 100 HG1 THR A 6 0.550 -5.377 4.928 1.00 1.76 H ATOM 101 HG21 THR A 6 2.118 -7.125 5.532 1.00 1.66 H ATOM 102 HG22 THR A 6 2.384 -6.390 3.951 1.00 1.79 H ATOM 103 HG23 THR A 6 2.354 -8.146 4.116 1.00 1.53 H ATOM 104 N TRP A 7 -1.980 -7.330 1.505 1.00 0.44 N ATOM 105 CA TRP A 7 -3.345 -7.746 1.239 1.00 0.38 C ATOM 106 C TRP A 7 -3.358 -8.880 0.218 1.00 0.51 C ATOM 107 O TRP A 7 -3.569 -8.658 -0.973 1.00 0.61 O ATOM 108 CB TRP A 7 -4.173 -6.566 0.733 1.00 0.39 C ATOM 109 CG TRP A 7 -5.648 -6.757 0.898 1.00 0.42 C ATOM 110 CD1 TRP A 7 -6.456 -7.586 0.178 1.00 0.49 C ATOM 111 CD2 TRP A 7 -6.490 -6.092 1.841 1.00 0.51 C ATOM 112 NE1 TRP A 7 -7.752 -7.482 0.622 1.00 0.57 N ATOM 113 CE2 TRP A 7 -7.799 -6.567 1.642 1.00 0.59 C ATOM 114 CE3 TRP A 7 -6.260 -5.140 2.835 1.00 0.62 C ATOM 115 CZ2 TRP A 7 -8.876 -6.121 2.405 1.00 0.73 C ATOM 116 CZ3 TRP A 7 -7.329 -4.695 3.590 1.00 0.78 C ATOM 117 CH2 TRP A 7 -8.623 -5.186 3.373 1.00 0.82 C ATOM 118 H TRP A 7 -1.560 -6.660 0.922 1.00 0.52 H ATOM 119 HA TRP A 7 -3.772 -8.103 2.164 1.00 0.36 H ATOM 120 HB2 TRP A 7 -3.891 -5.677 1.273 1.00 0.42 H ATOM 121 HB3 TRP A 7 -3.971 -6.419 -0.317 1.00 0.45 H ATOM 122 HD1 TRP A 7 -6.112 -8.227 -0.619 1.00 0.55 H ATOM 123 HE1 TRP A 7 -8.519 -7.980 0.265 1.00 0.66 H ATOM 124 HE3 TRP A 7 -5.269 -4.751 3.015 1.00 0.64 H ATOM 125 HZ2 TRP A 7 -9.879 -6.492 2.249 1.00 0.80 H ATOM 126 HZ3 TRP A 7 -7.172 -3.957 4.362 1.00 0.91 H ATOM 127 HH2 TRP A 7 -9.428 -4.810 3.986 1.00 0.95 H ATOM 146 N CYS A 9 -2.212 -9.668 -3.218 1.00 0.41 N ATOM 147 CA CYS A 9 -1.628 -8.411 -3.643 1.00 0.30 C ATOM 148 C CYS A 9 -0.425 -8.075 -2.765 1.00 0.26 C ATOM 149 O CYS A 9 -0.518 -8.116 -1.537 1.00 0.34 O ATOM 150 CB CYS A 9 -2.683 -7.308 -3.554 1.00 0.29 C ATOM 151 SG CYS A 9 -2.118 -5.678 -4.079 1.00 0.23 S ATOM 152 H CYS A 9 -2.942 -9.649 -2.557 1.00 0.39 H ATOM 153 HA CYS A 9 -1.307 -8.516 -4.667 1.00 0.32 H ATOM 154 HB2 CYS A 9 -3.524 -7.576 -4.174 1.00 0.33 H ATOM 155 HB3 CYS A 9 -3.013 -7.227 -2.528 1.00 0.30 H ATOM 156 N GLY A 10 0.701 -7.756 -3.390 1.00 0.25 N ATOM 157 CA GLY A 10 1.907 -7.474 -2.640 1.00 0.27 C ATOM 158 C GLY A 10 2.812 -6.478 -3.333 1.00 0.21 C ATOM 159 O GLY A 10 4.027 -6.668 -3.385 1.00 0.30 O ATOM 160 H GLY A 10 0.714 -7.708 -4.370 1.00 0.32 H ATOM 161 HA2 GLY A 10 1.629 -7.079 -1.675 1.00 0.31 H ATOM 162 HA3 GLY A 10 2.448 -8.396 -2.497 1.00 0.34 H ATOM 163 N LYS A 11 2.221 -5.418 -3.871 1.00 0.17 N ATOM 164 CA LYS A 11 2.989 -4.373 -4.542 1.00 0.16 C ATOM 165 C LYS A 11 3.962 -3.702 -3.575 1.00 0.16 C ATOM 166 O LYS A 11 3.653 -3.519 -2.396 1.00 0.21 O ATOM 167 CB LYS A 11 2.058 -3.318 -5.147 1.00 0.24 C ATOM 168 CG LYS A 11 1.221 -3.830 -6.307 1.00 0.75 C ATOM 169 CD LYS A 11 0.494 -2.693 -7.010 1.00 0.58 C ATOM 170 CE LYS A 11 -0.330 -3.200 -8.184 1.00 1.49 C ATOM 171 NZ LYS A 11 -1.013 -2.095 -8.908 1.00 2.05 N1+ ATOM 172 H LYS A 11 1.248 -5.339 -3.818 1.00 0.24 H ATOM 173 HA LYS A 11 3.555 -4.837 -5.334 1.00 0.18 H ATOM 174 HB2 LYS A 11 1.385 -2.966 -4.378 1.00 0.71 H ATOM 175 HB3 LYS A 11 2.653 -2.488 -5.499 1.00 0.81 H ATOM 176 HG2 LYS A 11 1.870 -4.324 -7.015 1.00 1.30 H ATOM 177 HG3 LYS A 11 0.493 -4.533 -5.931 1.00 1.24 H ATOM 178 HD2 LYS A 11 -0.163 -2.208 -6.306 1.00 0.70 H ATOM 179 HD3 LYS A 11 1.224 -1.984 -7.374 1.00 0.86 H ATOM 180 HE2 LYS A 11 0.323 -3.717 -8.870 1.00 2.21 H ATOM 181 HE3 LYS A 11 -1.074 -3.889 -7.811 1.00 1.86 H ATOM 182 HZ1 LYS A 11 -1.561 -2.473 -9.706 1.00 2.40 H ATOM 183 HZ2 LYS A 11 -0.314 -1.418 -9.275 1.00 2.57 H ATOM 184 HZ3 LYS A 11 -1.659 -1.592 -8.265 1.00 2.43 H ATOM 185 N ARG A 12 5.139 -3.348 -4.082 1.00 0.14 N ATOM 186 CA ARG A 12 6.153 -2.678 -3.278 1.00 0.17 C ATOM 187 C ARG A 12 6.156 -1.185 -3.560 1.00 0.15 C ATOM 188 O ARG A 12 5.972 -0.757 -4.703 1.00 0.24 O ATOM 189 CB ARG A 12 7.545 -3.249 -3.562 1.00 0.26 C ATOM 190 CG ARG A 12 7.671 -4.738 -3.299 1.00 0.83 C ATOM 191 CD ARG A 12 9.064 -5.245 -3.645 1.00 0.78 C ATOM 192 NE ARG A 12 9.428 -4.936 -5.028 1.00 1.85 N ATOM 193 CZ ARG A 12 9.818 -5.844 -5.923 1.00 2.32 C ATOM 194 NH1 ARG A 12 9.960 -7.116 -5.575 1.00 2.15 N1+ ATOM 195 NH2 ARG A 12 10.088 -5.469 -7.164 1.00 3.36 N ATOM 196 H ARG A 12 5.327 -3.538 -5.025 1.00 0.14 H ATOM 197 HA ARG A 12 5.909 -2.835 -2.236 1.00 0.21 H ATOM 198 HB2 ARG A 12 7.786 -3.071 -4.600 1.00 0.90 H ATOM 199 HB3 ARG A 12 8.265 -2.735 -2.943 1.00 0.85 H ATOM 200 HG2 ARG A 12 7.477 -4.927 -2.254 1.00 1.33 H ATOM 201 HG3 ARG A 12 6.945 -5.263 -3.902 1.00 1.38 H ATOM 202 HD2 ARG A 12 9.781 -4.778 -2.983 1.00 0.99 H ATOM 203 HD3 ARG A 12 9.090 -6.314 -3.505 1.00 0.93 H ATOM 204 HE ARG A 12 9.370 -3.991 -5.308 1.00 2.49 H ATOM 205 HH11 ARG A 12 9.778 -7.409 -4.634 1.00 1.82 H ATOM 206 HH12 ARG A 12 10.253 -7.794 -6.253 1.00 2.73 H ATOM 207 HH21 ARG A 12 10.380 -6.148 -7.845 1.00 3.75 H ATOM 208 HH22 ARG A 12 10.006 -4.504 -7.426 1.00 3.87 H ATOM 209 N PHE A 13 6.364 -0.401 -2.516 1.00 0.10 N ATOM 210 CA PHE A 13 6.396 1.047 -2.625 1.00 0.10 C ATOM 211 C PHE A 13 7.621 1.596 -1.908 1.00 0.12 C ATOM 212 O PHE A 13 8.069 1.038 -0.906 1.00 0.18 O ATOM 213 CB PHE A 13 5.128 1.642 -2.012 1.00 0.12 C ATOM 214 CG PHE A 13 3.868 1.092 -2.605 1.00 0.14 C ATOM 215 CD1 PHE A 13 3.315 1.658 -3.738 1.00 0.19 C ATOM 216 CD2 PHE A 13 3.241 0.000 -2.028 1.00 0.16 C ATOM 217 CE1 PHE A 13 2.157 1.144 -4.287 1.00 0.22 C ATOM 218 CE2 PHE A 13 2.086 -0.517 -2.572 1.00 0.20 C ATOM 219 CZ PHE A 13 1.544 0.056 -3.703 1.00 0.21 C ATOM 220 H PHE A 13 6.487 -0.810 -1.631 1.00 0.14 H ATOM 221 HA PHE A 13 6.443 1.307 -3.671 1.00 0.13 H ATOM 222 HB2 PHE A 13 5.116 1.432 -0.954 1.00 0.12 H ATOM 223 HB3 PHE A 13 5.130 2.711 -2.165 1.00 0.14 H ATOM 224 HD1 PHE A 13 3.797 2.509 -4.194 1.00 0.21 H ATOM 225 HD2 PHE A 13 3.669 -0.449 -1.145 1.00 0.16 H ATOM 226 HE1 PHE A 13 1.734 1.591 -5.171 1.00 0.27 H ATOM 227 HE2 PHE A 13 1.607 -1.369 -2.111 1.00 0.22 H ATOM 228 HZ PHE A 13 0.637 -0.346 -4.129 1.00 0.25 H ATOM 229 N THR A 14 8.166 2.684 -2.426 1.00 0.15 N ATOM 230 CA THR A 14 9.321 3.327 -1.816 1.00 0.17 C ATOM 231 C THR A 14 8.877 4.294 -0.717 1.00 0.13 C ATOM 232 O THR A 14 9.681 4.747 0.101 1.00 0.24 O ATOM 233 CB THR A 14 10.143 4.086 -2.880 1.00 0.28 C ATOM 234 OG1 THR A 14 10.388 3.227 -4.000 1.00 0.85 O ATOM 235 CG2 THR A 14 11.474 4.566 -2.315 1.00 0.95 C ATOM 236 H THR A 14 7.789 3.064 -3.251 1.00 0.20 H ATOM 237 HA THR A 14 9.943 2.558 -1.381 1.00 0.23 H ATOM 238 HB THR A 14 9.575 4.946 -3.209 1.00 0.82 H ATOM 239 HG1 THR A 14 9.809 2.456 -3.945 1.00 1.26 H ATOM 240 HG21 THR A 14 12.027 5.082 -3.086 1.00 1.58 H ATOM 241 HG22 THR A 14 12.047 3.719 -1.970 1.00 1.36 H ATOM 242 HG23 THR A 14 11.294 5.239 -1.490 1.00 1.65 H ATOM 243 N ARG A 15 7.587 4.589 -0.689 1.00 0.13 N ATOM 244 CA ARG A 15 7.043 5.548 0.257 1.00 0.18 C ATOM 245 C ARG A 15 5.803 4.980 0.946 1.00 0.14 C ATOM 246 O ARG A 15 4.923 4.399 0.302 1.00 0.13 O ATOM 247 CB ARG A 15 6.709 6.853 -0.471 1.00 0.31 C ATOM 248 CG ARG A 15 7.926 7.521 -1.091 1.00 0.38 C ATOM 249 CD ARG A 15 7.554 8.763 -1.882 1.00 0.91 C ATOM 250 NE ARG A 15 6.806 8.443 -3.094 1.00 1.61 N ATOM 251 CZ ARG A 15 6.372 9.357 -3.963 1.00 2.07 C ATOM 252 NH1 ARG A 15 6.599 10.645 -3.740 1.00 1.87 N1+ ATOM 253 NH2 ARG A 15 5.699 8.984 -5.047 1.00 3.12 N ATOM 254 H ARG A 15 6.981 4.146 -1.321 1.00 0.20 H ATOM 255 HA ARG A 15 7.800 5.743 1.003 1.00 0.22 H ATOM 256 HB2 ARG A 15 6.002 6.641 -1.258 1.00 0.37 H ATOM 257 HB3 ARG A 15 6.262 7.541 0.227 1.00 0.40 H ATOM 258 HG2 ARG A 15 8.609 7.799 -0.305 1.00 0.69 H ATOM 259 HG3 ARG A 15 8.409 6.816 -1.754 1.00 0.59 H ATOM 260 HD2 ARG A 15 6.950 9.404 -1.260 1.00 1.32 H ATOM 261 HD3 ARG A 15 8.459 9.282 -2.158 1.00 1.67 H ATOM 262 HE ARG A 15 6.619 7.484 -3.273 1.00 2.18 H ATOM 263 HH11 ARG A 15 7.099 10.935 -2.921 1.00 1.78 H ATOM 264 HH12 ARG A 15 6.269 11.335 -4.390 1.00 2.28 H ATOM 265 HH21 ARG A 15 5.516 8.008 -5.219 1.00 3.70 H ATOM 266 HH22 ARG A 15 5.371 9.674 -5.699 1.00 3.46 H ATOM 267 N SER A 16 5.748 5.149 2.265 1.00 0.15 N ATOM 268 CA SER A 16 4.684 4.580 3.083 1.00 0.14 C ATOM 269 C SER A 16 3.331 5.212 2.770 1.00 0.12 C ATOM 270 O SER A 16 2.290 4.564 2.906 1.00 0.15 O ATOM 271 CB SER A 16 5.029 4.752 4.562 1.00 0.22 C ATOM 272 OG SER A 16 5.590 6.030 4.806 1.00 1.22 O ATOM 273 H SER A 16 6.446 5.679 2.706 1.00 0.19 H ATOM 274 HA SER A 16 4.632 3.524 2.858 1.00 0.16 H ATOM 275 HB2 SER A 16 4.133 4.648 5.154 1.00 0.90 H ATOM 276 HB3 SER A 16 5.744 3.997 4.855 1.00 1.04 H ATOM 277 HG SER A 16 4.979 6.552 5.342 1.00 1.52 H ATOM 278 N ASP A 17 3.347 6.472 2.353 1.00 0.14 N ATOM 279 CA ASP A 17 2.120 7.163 1.968 1.00 0.19 C ATOM 280 C ASP A 17 1.553 6.565 0.689 1.00 0.16 C ATOM 281 O ASP A 17 0.342 6.524 0.496 1.00 0.18 O ATOM 282 CB ASP A 17 2.368 8.662 1.781 1.00 0.28 C ATOM 283 CG ASP A 17 1.105 9.418 1.406 1.00 1.40 C ATOM 284 OD1 ASP A 17 0.246 9.631 2.287 1.00 2.04 O ATOM 285 OD2 ASP A 17 0.971 9.820 0.232 1.00 2.15 O1- ATOM 286 H ASP A 17 4.202 6.954 2.317 1.00 0.15 H ATOM 287 HA ASP A 17 1.401 7.023 2.761 1.00 0.24 H ATOM 288 HB2 ASP A 17 2.752 9.074 2.701 1.00 1.06 H ATOM 289 HB3 ASP A 17 3.095 8.804 0.998 1.00 0.95 H ATOM 290 N GLU A 18 2.437 6.081 -0.175 1.00 0.15 N ATOM 291 CA GLU A 18 2.014 5.415 -1.395 1.00 0.16 C ATOM 292 C GLU A 18 1.350 4.094 -1.057 1.00 0.11 C ATOM 293 O GLU A 18 0.345 3.726 -1.659 1.00 0.13 O ATOM 294 CB GLU A 18 3.194 5.176 -2.334 1.00 0.25 C ATOM 295 CG GLU A 18 3.802 6.448 -2.884 1.00 0.40 C ATOM 296 CD GLU A 18 4.890 6.171 -3.897 1.00 1.31 C ATOM 297 OE1 GLU A 18 6.017 5.836 -3.482 1.00 2.28 O ATOM 298 OE2 GLU A 18 4.632 6.315 -5.109 1.00 1.61 O1- ATOM 299 H GLU A 18 3.391 6.164 0.018 1.00 0.16 H ATOM 300 HA GLU A 18 1.294 6.051 -1.887 1.00 0.24 H ATOM 301 HB2 GLU A 18 3.962 4.645 -1.794 1.00 0.27 H ATOM 302 HB3 GLU A 18 2.863 4.570 -3.164 1.00 0.28 H ATOM 303 HG2 GLU A 18 3.025 7.028 -3.360 1.00 0.80 H ATOM 304 HG3 GLU A 18 4.224 7.011 -2.067 1.00 0.93 H ATOM 305 N LEU A 19 1.916 3.394 -0.079 1.00 0.11 N ATOM 306 CA LEU A 19 1.340 2.141 0.389 1.00 0.12 C ATOM 307 C LEU A 19 -0.028 2.378 1.019 1.00 0.12 C ATOM 308 O LEU A 19 -0.975 1.648 0.740 1.00 0.14 O ATOM 309 CB LEU A 19 2.274 1.457 1.390 1.00 0.14 C ATOM 310 CG LEU A 19 1.698 0.206 2.060 1.00 0.15 C ATOM 311 CD1 LEU A 19 1.303 -0.829 1.019 1.00 0.17 C ATOM 312 CD2 LEU A 19 2.703 -0.384 3.035 1.00 0.17 C ATOM 313 H LEU A 19 2.747 3.724 0.329 1.00 0.12 H ATOM 314 HA LEU A 19 1.217 1.498 -0.468 1.00 0.14 H ATOM 315 HB2 LEU A 19 3.179 1.179 0.870 1.00 0.15 H ATOM 316 HB3 LEU A 19 2.526 2.169 2.159 1.00 0.15 H ATOM 317 HG LEU A 19 0.810 0.478 2.616 1.00 0.15 H ATOM 318 HD11 LEU A 19 0.883 -1.691 1.512 1.00 0.93 H ATOM 319 HD12 LEU A 19 2.175 -1.126 0.456 1.00 0.92 H ATOM 320 HD13 LEU A 19 0.568 -0.403 0.350 1.00 0.94 H ATOM 321 HD21 LEU A 19 2.229 -1.167 3.607 1.00 0.94 H ATOM 322 HD22 LEU A 19 3.056 0.389 3.703 1.00 1.07 H ATOM 323 HD23 LEU A 19 3.535 -0.797 2.487 1.00 1.03 H ATOM 324 N GLN A 20 -0.131 3.400 1.861 1.00 0.15 N ATOM 325 CA GLN A 20 -1.407 3.748 2.480 1.00 0.19 C ATOM 326 C GLN A 20 -2.436 4.107 1.414 1.00 0.15 C ATOM 327 O GLN A 20 -3.562 3.601 1.420 1.00 0.16 O ATOM 328 CB GLN A 20 -1.243 4.919 3.446 1.00 0.27 C ATOM 329 CG GLN A 20 -2.561 5.394 4.036 1.00 1.15 C ATOM 330 CD GLN A 20 -2.407 6.602 4.930 1.00 1.67 C ATOM 331 OE1 GLN A 20 -1.520 7.432 4.733 1.00 2.11 O ATOM 332 NE2 GLN A 20 -3.282 6.716 5.912 1.00 2.50 N ATOM 333 H GLN A 20 0.671 3.926 2.078 1.00 0.17 H ATOM 334 HA GLN A 20 -1.753 2.884 3.026 1.00 0.23 H ATOM 335 HB2 GLN A 20 -0.598 4.617 4.257 1.00 0.82 H ATOM 336 HB3 GLN A 20 -0.789 5.745 2.921 1.00 0.82 H ATOM 337 HG2 GLN A 20 -3.228 5.651 3.226 1.00 1.84 H ATOM 338 HG3 GLN A 20 -2.993 4.591 4.612 1.00 1.71 H ATOM 339 HE21 GLN A 20 -3.973 6.022 6.001 1.00 2.87 H ATOM 340 HE22 GLN A 20 -3.206 7.485 6.516 1.00 3.01 H ATOM 341 N ARG A 21 -2.032 4.979 0.498 1.00 0.15 N ATOM 342 CA ARG A 21 -2.888 5.387 -0.607 1.00 0.19 C ATOM 343 C ARG A 21 -3.340 4.163 -1.393 1.00 0.14 C ATOM 344 O ARG A 21 -4.516 4.029 -1.733 1.00 0.16 O ATOM 345 CB ARG A 21 -2.140 6.356 -1.521 1.00 0.28 C ATOM 346 CG ARG A 21 -2.960 6.856 -2.692 1.00 0.90 C ATOM 347 CD ARG A 21 -2.110 7.693 -3.628 1.00 0.92 C ATOM 348 NE ARG A 21 -2.869 8.181 -4.772 1.00 1.52 N ATOM 349 CZ ARG A 21 -2.750 7.697 -6.005 1.00 1.91 C ATOM 350 NH1 ARG A 21 -1.973 6.647 -6.240 1.00 1.87 N1+ ATOM 351 NH2 ARG A 21 -3.420 8.249 -7.005 1.00 2.78 N ATOM 352 H ARG A 21 -1.129 5.362 0.570 1.00 0.17 H ATOM 353 HA ARG A 21 -3.754 5.881 -0.197 1.00 0.24 H ATOM 354 HB2 ARG A 21 -1.829 7.212 -0.940 1.00 0.71 H ATOM 355 HB3 ARG A 21 -1.265 5.861 -1.909 1.00 0.85 H ATOM 356 HG2 ARG A 21 -3.356 6.011 -3.233 1.00 1.39 H ATOM 357 HG3 ARG A 21 -3.772 7.463 -2.319 1.00 1.31 H ATOM 358 HD2 ARG A 21 -1.722 8.538 -3.080 1.00 1.26 H ATOM 359 HD3 ARG A 21 -1.287 7.092 -3.982 1.00 1.23 H ATOM 360 HE ARG A 21 -3.487 8.929 -4.612 1.00 2.02 H ATOM 361 HH11 ARG A 21 -1.470 6.212 -5.489 1.00 1.76 H ATOM 362 HH12 ARG A 21 -1.885 6.283 -7.171 1.00 2.33 H ATOM 363 HH21 ARG A 21 -4.019 9.036 -6.837 1.00 3.23 H ATOM 364 HH22 ARG A 21 -3.332 7.881 -7.934 1.00 3.13 H ATOM 365 N HIS A 22 -2.396 3.264 -1.645 1.00 0.11 N ATOM 366 CA HIS A 22 -2.680 2.021 -2.335 1.00 0.09 C ATOM 367 C HIS A 22 -3.691 1.189 -1.552 1.00 0.11 C ATOM 368 O HIS A 22 -4.654 0.687 -2.118 1.00 0.15 O ATOM 369 CB HIS A 22 -1.386 1.223 -2.555 1.00 0.11 C ATOM 370 CG HIS A 22 -1.628 -0.196 -2.963 1.00 0.11 C ATOM 371 ND1 HIS A 22 -1.748 -0.628 -4.279 1.00 0.18 N ATOM 372 CD2 HIS A 22 -1.850 -1.284 -2.185 1.00 0.11 C ATOM 373 CE1 HIS A 22 -2.054 -1.936 -4.248 1.00 0.21 C ATOM 374 NE2 HIS A 22 -2.122 -2.345 -3.010 1.00 0.15 N ATOM 375 H HIS A 22 -1.475 3.445 -1.357 1.00 0.13 H ATOM 376 HA HIS A 22 -3.105 2.268 -3.294 1.00 0.11 H ATOM 377 HB2 HIS A 22 -0.802 1.698 -3.327 1.00 0.14 H ATOM 378 HB3 HIS A 22 -0.818 1.212 -1.635 1.00 0.12 H ATOM 379 HD1 HIS A 22 -1.631 -0.077 -5.085 1.00 0.24 H ATOM 380 HD2 HIS A 22 -1.795 -1.325 -1.108 1.00 0.14 H ATOM 381 HE1 HIS A 22 -2.217 -2.557 -5.114 1.00 0.28 H ATOM 382 N LYS A 23 -3.471 1.050 -0.251 1.00 0.13 N ATOM 383 CA LYS A 23 -4.358 0.255 0.590 1.00 0.18 C ATOM 384 C LYS A 23 -5.778 0.802 0.569 1.00 0.17 C ATOM 385 O LYS A 23 -6.738 0.074 0.833 1.00 0.21 O ATOM 386 CB LYS A 23 -3.851 0.194 2.030 1.00 0.26 C ATOM 387 CG LYS A 23 -2.646 -0.710 2.223 1.00 0.57 C ATOM 388 CD LYS A 23 -2.312 -0.876 3.694 1.00 0.99 C ATOM 389 CE LYS A 23 -1.210 -1.900 3.902 1.00 1.50 C ATOM 390 NZ LYS A 23 -0.923 -2.121 5.345 1.00 1.93 N1+ ATOM 391 H LYS A 23 -2.689 1.490 0.153 1.00 0.13 H ATOM 392 HA LYS A 23 -4.372 -0.744 0.187 1.00 0.24 H ATOM 393 HB2 LYS A 23 -3.578 1.191 2.344 1.00 0.56 H ATOM 394 HB3 LYS A 23 -4.647 -0.168 2.661 1.00 0.66 H ATOM 395 HG2 LYS A 23 -2.861 -1.680 1.801 1.00 1.21 H ATOM 396 HG3 LYS A 23 -1.795 -0.276 1.718 1.00 1.27 H ATOM 397 HD2 LYS A 23 -1.985 0.075 4.088 1.00 1.75 H ATOM 398 HD3 LYS A 23 -3.199 -1.201 4.219 1.00 1.44 H ATOM 399 HE2 LYS A 23 -1.516 -2.836 3.459 1.00 1.79 H ATOM 400 HE3 LYS A 23 -0.312 -1.547 3.415 1.00 2.05 H ATOM 401 HZ1 LYS A 23 -1.779 -2.443 5.835 1.00 2.29 H ATOM 402 HZ2 LYS A 23 -0.598 -1.238 5.786 1.00 2.36 H ATOM 403 HZ3 LYS A 23 -0.182 -2.842 5.457 1.00 2.11 H ATOM 404 N ARG A 24 -5.912 2.077 0.230 1.00 0.17 N ATOM 405 CA ARG A 24 -7.222 2.700 0.144 1.00 0.23 C ATOM 406 C ARG A 24 -8.008 2.180 -1.061 1.00 0.22 C ATOM 407 O ARG A 24 -9.182 2.502 -1.223 1.00 0.33 O ATOM 408 CB ARG A 24 -7.093 4.222 0.102 1.00 0.34 C ATOM 409 CG ARG A 24 -6.635 4.815 1.425 1.00 0.92 C ATOM 410 CD ARG A 24 -6.524 6.330 1.359 1.00 0.92 C ATOM 411 NE ARG A 24 -7.801 6.965 1.048 1.00 1.57 N ATOM 412 CZ ARG A 24 -8.032 8.272 1.168 1.00 1.89 C ATOM 413 NH1 ARG A 24 -7.084 9.079 1.632 1.00 1.57 N1+ ATOM 414 NH2 ARG A 24 -9.211 8.770 0.827 1.00 2.84 N ATOM 415 H ARG A 24 -5.107 2.614 0.037 1.00 0.18 H ATOM 416 HA ARG A 24 -7.761 2.428 1.040 1.00 0.28 H ATOM 417 HB2 ARG A 24 -6.374 4.492 -0.658 1.00 0.81 H ATOM 418 HB3 ARG A 24 -8.051 4.648 -0.151 1.00 0.82 H ATOM 419 HG2 ARG A 24 -7.350 4.551 2.190 1.00 1.39 H ATOM 420 HG3 ARG A 24 -5.669 4.402 1.677 1.00 1.39 H ATOM 421 HD2 ARG A 24 -6.177 6.693 2.314 1.00 1.14 H ATOM 422 HD3 ARG A 24 -5.807 6.593 0.595 1.00 1.40 H ATOM 423 HE ARG A 24 -8.526 6.384 0.718 1.00 2.11 H ATOM 424 HH11 ARG A 24 -6.189 8.709 1.896 1.00 1.94 H ATOM 425 HH12 ARG A 24 -7.257 10.064 1.712 1.00 1.49 H ATOM 426 HH21 ARG A 24 -9.387 9.754 0.916 1.00 3.18 H ATOM 427 HH22 ARG A 24 -9.934 8.164 0.480 1.00 3.39 H ATOM 428 N THR A 25 -7.367 1.371 -1.900 1.00 0.21 N ATOM 429 CA THR A 25 -8.077 0.688 -2.973 1.00 0.27 C ATOM 430 C THR A 25 -8.721 -0.584 -2.430 1.00 0.26 C ATOM 431 O THR A 25 -9.793 -0.995 -2.875 1.00 0.34 O ATOM 432 CB THR A 25 -7.158 0.336 -4.164 1.00 0.37 C ATOM 433 OG1 THR A 25 -6.136 -0.583 -3.755 1.00 1.28 O ATOM 434 CG2 THR A 25 -6.518 1.589 -4.743 1.00 1.04 C ATOM 435 H THR A 25 -6.398 1.238 -1.801 1.00 0.23 H ATOM 436 HA THR A 25 -8.856 1.349 -3.327 1.00 0.29 H ATOM 437 HB THR A 25 -7.758 -0.128 -4.932 1.00 0.93 H ATOM 438 HG1 THR A 25 -5.426 -0.099 -3.310 1.00 1.45 H ATOM 439 HG21 THR A 25 -7.290 2.266 -5.079 1.00 1.50 H ATOM 440 HG22 THR A 25 -5.887 1.319 -5.578 1.00 1.73 H ATOM 441 HG23 THR A 25 -5.921 2.073 -3.983 1.00 1.63 H ATOM 442 N HIS A 26 -8.065 -1.196 -1.443 1.00 0.22 N ATOM 443 CA HIS A 26 -8.623 -2.359 -0.762 1.00 0.25 C ATOM 444 C HIS A 26 -9.619 -1.895 0.291 1.00 0.32 C ATOM 445 O HIS A 26 -10.397 -2.680 0.834 1.00 0.40 O ATOM 446 CB HIS A 26 -7.534 -3.190 -0.071 1.00 0.27 C ATOM 447 CG HIS A 26 -6.456 -3.725 -0.965 1.00 0.23 C ATOM 448 ND1 HIS A 26 -6.640 -4.728 -1.912 1.00 0.26 N ATOM 449 CD2 HIS A 26 -5.135 -3.414 -1.002 1.00 0.20 C ATOM 450 CE1 HIS A 26 -5.442 -4.989 -2.473 1.00 0.26 C ATOM 451 NE2 HIS A 26 -4.530 -4.215 -1.945 1.00 0.21 N ATOM 452 H HIS A 26 -7.187 -0.856 -1.167 1.00 0.22 H ATOM 453 HA HIS A 26 -9.133 -2.967 -1.492 1.00 0.30 H ATOM 454 HB2 HIS A 26 -7.055 -2.575 0.675 1.00 0.30 H ATOM 455 HB3 HIS A 26 -8.002 -4.032 0.420 1.00 0.34 H ATOM 456 HD1 HIS A 26 -7.488 -5.176 -2.126 1.00 0.30 H ATOM 457 HD2 HIS A 26 -4.632 -2.683 -0.390 1.00 0.20 H ATOM 458 HE1 HIS A 26 -5.260 -5.732 -3.233 1.00 0.32 H