ATOM 27 N PRO A 2 11.093 -2.275 2.688 1.00 0.48 N ATOM 28 CA PRO A 2 10.193 -1.683 1.699 1.00 0.37 C ATOM 29 C PRO A 2 8.747 -1.686 2.176 1.00 0.31 C ATOM 30 O PRO A 2 8.378 -2.451 3.070 1.00 0.43 O ATOM 31 CB PRO A 2 10.355 -2.601 0.489 1.00 0.45 C ATOM 32 CG PRO A 2 10.675 -3.931 1.078 1.00 0.58 C ATOM 33 CD PRO A 2 11.486 -3.652 2.320 1.00 0.63 C ATOM 34 HA PRO A 2 10.488 -0.677 1.440 1.00 0.40 H ATOM 35 HB2 PRO A 2 9.432 -2.626 -0.074 1.00 0.46 H ATOM 36 HB3 PRO A 2 11.161 -2.241 -0.136 1.00 0.51 H ATOM 37 HG2 PRO A 2 9.760 -4.445 1.334 1.00 0.60 H ATOM 38 HG3 PRO A 2 11.250 -4.515 0.375 1.00 0.69 H ATOM 39 HD2 PRO A 2 11.228 -4.350 3.103 1.00 0.74 H ATOM 40 HD3 PRO A 2 12.542 -3.704 2.099 1.00 0.73 H ATOM 41 N PHE A 3 7.933 -0.836 1.578 1.00 0.19 N ATOM 42 CA PHE A 3 6.529 -0.759 1.931 1.00 0.16 C ATOM 43 C PHE A 3 5.729 -1.669 1.016 1.00 0.15 C ATOM 44 O PHE A 3 5.180 -1.238 0.005 1.00 0.18 O ATOM 45 CB PHE A 3 6.040 0.685 1.844 1.00 0.14 C ATOM 46 CG PHE A 3 6.747 1.596 2.802 1.00 0.15 C ATOM 47 CD1 PHE A 3 7.791 2.398 2.375 1.00 0.14 C ATOM 48 CD2 PHE A 3 6.371 1.642 4.132 1.00 0.22 C ATOM 49 CE1 PHE A 3 8.446 3.230 3.259 1.00 0.17 C ATOM 50 CE2 PHE A 3 7.022 2.473 5.021 1.00 0.25 C ATOM 51 CZ PHE A 3 8.062 3.269 4.585 1.00 0.21 C ATOM 52 H PHE A 3 8.279 -0.254 0.863 1.00 0.19 H ATOM 53 HA PHE A 3 6.424 -1.109 2.949 1.00 0.22 H ATOM 54 HB2 PHE A 3 6.203 1.057 0.845 1.00 0.13 H ATOM 55 HB3 PHE A 3 4.988 0.717 2.069 1.00 0.19 H ATOM 56 HD1 PHE A 3 8.092 2.369 1.337 1.00 0.16 H ATOM 57 HD2 PHE A 3 5.556 1.021 4.472 1.00 0.26 H ATOM 58 HE1 PHE A 3 9.259 3.850 2.913 1.00 0.19 H ATOM 59 HE2 PHE A 3 6.718 2.500 6.056 1.00 0.31 H ATOM 60 HZ PHE A 3 8.574 3.920 5.278 1.00 0.24 H ATOM 80 N CYS A 5 2.783 -4.354 0.010 1.00 0.13 N ATOM 81 CA CYS A 5 1.437 -4.826 0.261 1.00 0.18 C ATOM 82 C CYS A 5 1.456 -6.349 0.365 1.00 0.29 C ATOM 83 O CYS A 5 2.266 -7.007 -0.282 1.00 0.33 O ATOM 84 CB CYS A 5 0.491 -4.373 -0.860 1.00 0.13 C ATOM 85 SG CYS A 5 -1.235 -4.863 -0.613 1.00 0.20 S ATOM 86 H CYS A 5 3.026 -4.062 -0.896 1.00 0.11 H ATOM 87 HA CYS A 5 1.104 -4.409 1.199 1.00 0.26 H ATOM 88 HB2 CYS A 5 0.517 -3.295 -0.931 1.00 0.17 H ATOM 89 HB3 CYS A 5 0.824 -4.797 -1.794 1.00 0.13 H ATOM 90 N THR A 6 0.607 -6.906 1.208 1.00 0.42 N ATOM 91 CA THR A 6 0.488 -8.349 1.318 1.00 0.57 C ATOM 92 C THR A 6 -0.973 -8.727 1.553 1.00 0.46 C ATOM 93 O THR A 6 -1.321 -9.411 2.518 1.00 0.49 O ATOM 94 CB THR A 6 1.388 -8.904 2.445 1.00 0.85 C ATOM 95 OG1 THR A 6 2.709 -8.348 2.325 1.00 1.31 O ATOM 96 CG2 THR A 6 1.482 -10.422 2.371 1.00 1.22 C ATOM 97 H THR A 6 0.053 -6.338 1.779 1.00 0.45 H ATOM 98 HA THR A 6 0.809 -8.779 0.380 1.00 0.64 H ATOM 99 HB THR A 6 0.966 -8.623 3.399 1.00 0.76 H ATOM 100 HG1 THR A 6 2.805 -7.943 1.453 1.00 1.76 H ATOM 101 HG21 THR A 6 1.909 -10.711 1.423 1.00 1.66 H ATOM 102 HG22 THR A 6 0.494 -10.847 2.465 1.00 1.79 H ATOM 103 HG23 THR A 6 2.107 -10.783 3.173 1.00 1.53 H ATOM 104 N TRP A 7 -1.832 -8.252 0.663 1.00 0.44 N ATOM 105 CA TRP A 7 -3.254 -8.526 0.749 1.00 0.38 C ATOM 106 C TRP A 7 -3.562 -9.839 0.044 1.00 0.51 C ATOM 107 O TRP A 7 -3.979 -9.856 -1.117 1.00 0.61 O ATOM 108 CB TRP A 7 -4.050 -7.377 0.122 1.00 0.39 C ATOM 109 CG TRP A 7 -5.525 -7.448 0.367 1.00 0.42 C ATOM 110 CD1 TRP A 7 -6.440 -8.172 -0.339 1.00 0.49 C ATOM 111 CD2 TRP A 7 -6.254 -6.753 1.378 1.00 0.51 C ATOM 112 NE1 TRP A 7 -7.696 -7.978 0.179 1.00 0.57 N ATOM 113 CE2 TRP A 7 -7.609 -7.107 1.234 1.00 0.59 C ATOM 114 CE3 TRP A 7 -5.892 -5.868 2.393 1.00 0.62 C ATOM 115 CZ2 TRP A 7 -8.601 -6.603 2.070 1.00 0.73 C ATOM 116 CZ3 TRP A 7 -6.877 -5.367 3.222 1.00 0.78 C ATOM 117 CH2 TRP A 7 -8.217 -5.736 3.057 1.00 0.82 C ATOM 118 H TRP A 7 -1.494 -7.711 -0.082 1.00 0.52 H ATOM 119 HA TRP A 7 -3.519 -8.615 1.791 1.00 0.36 H ATOM 120 HB2 TRP A 7 -3.694 -6.440 0.524 1.00 0.42 H ATOM 121 HB3 TRP A 7 -3.891 -7.383 -0.942 1.00 0.45 H ATOM 122 HD1 TRP A 7 -6.194 -8.807 -1.177 1.00 0.55 H ATOM 123 HE1 TRP A 7 -8.521 -8.393 -0.155 1.00 0.66 H ATOM 124 HE3 TRP A 7 -4.861 -5.573 2.533 1.00 0.64 H ATOM 125 HZ2 TRP A 7 -9.640 -6.879 1.954 1.00 0.80 H ATOM 126 HZ3 TRP A 7 -6.615 -4.679 4.013 1.00 0.91 H ATOM 127 HH2 TRP A 7 -8.954 -5.319 3.728 1.00 0.95 H ATOM 146 N CYS A 9 -2.110 -9.704 -3.189 1.00 0.41 N ATOM 147 CA CYS A 9 -1.616 -8.463 -3.767 1.00 0.30 C ATOM 148 C CYS A 9 -0.352 -8.016 -3.040 1.00 0.26 C ATOM 149 O CYS A 9 -0.388 -7.761 -1.834 1.00 0.34 O ATOM 150 CB CYS A 9 -2.700 -7.390 -3.662 1.00 0.29 C ATOM 151 SG CYS A 9 -2.177 -5.742 -4.177 1.00 0.23 S ATOM 152 H CYS A 9 -2.989 -9.705 -2.749 1.00 0.39 H ATOM 153 HA CYS A 9 -1.389 -8.640 -4.807 1.00 0.32 H ATOM 154 HB2 CYS A 9 -3.538 -7.674 -4.278 1.00 0.33 H ATOM 155 HB3 CYS A 9 -3.025 -7.324 -2.636 1.00 0.30 H ATOM 156 N GLY A 10 0.758 -7.917 -3.767 1.00 0.25 N ATOM 157 CA GLY A 10 2.027 -7.638 -3.127 1.00 0.27 C ATOM 158 C GLY A 10 2.867 -6.607 -3.852 1.00 0.21 C ATOM 159 O GLY A 10 4.044 -6.843 -4.125 1.00 0.30 O ATOM 160 H GLY A 10 0.715 -8.034 -4.740 1.00 0.32 H ATOM 161 HA2 GLY A 10 1.837 -7.283 -2.125 1.00 0.31 H ATOM 162 HA3 GLY A 10 2.586 -8.557 -3.066 1.00 0.34 H ATOM 163 N LYS A 11 2.277 -5.462 -4.163 1.00 0.17 N ATOM 164 CA LYS A 11 3.028 -4.368 -4.766 1.00 0.16 C ATOM 165 C LYS A 11 3.951 -3.726 -3.736 1.00 0.16 C ATOM 166 O LYS A 11 3.551 -3.492 -2.593 1.00 0.21 O ATOM 167 CB LYS A 11 2.085 -3.312 -5.350 1.00 0.24 C ATOM 168 CG LYS A 11 1.315 -3.782 -6.573 1.00 0.75 C ATOM 169 CD LYS A 11 0.559 -2.633 -7.225 1.00 0.58 C ATOM 170 CE LYS A 11 -0.232 -3.095 -8.440 1.00 1.49 C ATOM 171 NZ LYS A 11 0.645 -3.669 -9.494 1.00 2.05 N1+ ATOM 172 H LYS A 11 1.321 -5.353 -3.988 1.00 0.24 H ATOM 173 HA LYS A 11 3.630 -4.780 -5.562 1.00 0.18 H ATOM 174 HB2 LYS A 11 1.369 -3.029 -4.592 1.00 0.71 H ATOM 175 HB3 LYS A 11 2.664 -2.444 -5.626 1.00 0.81 H ATOM 176 HG2 LYS A 11 2.012 -4.193 -7.289 1.00 1.30 H ATOM 177 HG3 LYS A 11 0.610 -4.543 -6.275 1.00 1.24 H ATOM 178 HD2 LYS A 11 -0.124 -2.211 -6.504 1.00 0.70 H ATOM 179 HD3 LYS A 11 1.269 -1.880 -7.534 1.00 0.86 H ATOM 180 HE2 LYS A 11 -0.939 -3.846 -8.127 1.00 2.21 H ATOM 181 HE3 LYS A 11 -0.765 -2.248 -8.847 1.00 1.86 H ATOM 182 HZ1 LYS A 11 1.127 -4.517 -9.139 1.00 2.40 H ATOM 183 HZ2 LYS A 11 1.363 -2.973 -9.782 1.00 2.57 H ATOM 184 HZ3 LYS A 11 0.078 -3.928 -10.326 1.00 2.43 H ATOM 185 N ARG A 12 5.188 -3.462 -4.135 1.00 0.14 N ATOM 186 CA ARG A 12 6.169 -2.856 -3.243 1.00 0.17 C ATOM 187 C ARG A 12 6.315 -1.368 -3.527 1.00 0.15 C ATOM 188 O ARG A 12 6.450 -0.955 -4.681 1.00 0.24 O ATOM 189 CB ARG A 12 7.529 -3.539 -3.392 1.00 0.26 C ATOM 190 CG ARG A 12 7.501 -5.030 -3.109 1.00 0.83 C ATOM 191 CD ARG A 12 8.896 -5.631 -3.164 1.00 0.78 C ATOM 192 NE ARG A 12 8.880 -7.070 -2.910 1.00 1.85 N ATOM 193 CZ ARG A 12 9.803 -7.712 -2.195 1.00 2.32 C ATOM 194 NH1 ARG A 12 10.829 -7.049 -1.671 1.00 2.15 N1+ ATOM 195 NH2 ARG A 12 9.705 -9.021 -2.014 1.00 3.36 N ATOM 196 H ARG A 12 5.448 -3.677 -5.055 1.00 0.14 H ATOM 197 HA ARG A 12 5.817 -2.985 -2.232 1.00 0.21 H ATOM 198 HB2 ARG A 12 7.882 -3.393 -4.402 1.00 0.90 H ATOM 199 HB3 ARG A 12 8.225 -3.077 -2.707 1.00 0.85 H ATOM 200 HG2 ARG A 12 7.088 -5.190 -2.126 1.00 1.33 H ATOM 201 HG3 ARG A 12 6.878 -5.514 -3.847 1.00 1.38 H ATOM 202 HD2 ARG A 12 9.314 -5.454 -4.143 1.00 0.99 H ATOM 203 HD3 ARG A 12 9.512 -5.151 -2.418 1.00 0.93 H ATOM 204 HE ARG A 12 8.136 -7.586 -3.300 1.00 2.49 H ATOM 205 HH11 ARG A 12 10.920 -6.061 -1.812 1.00 1.82 H ATOM 206 HH12 ARG A 12 11.520 -7.536 -1.128 1.00 2.73 H ATOM 207 HH21 ARG A 12 10.397 -9.506 -1.476 1.00 3.75 H ATOM 208 HH22 ARG A 12 8.942 -9.531 -2.420 1.00 3.87 H ATOM 209 N PHE A 13 6.296 -0.573 -2.469 1.00 0.10 N ATOM 210 CA PHE A 13 6.401 0.872 -2.585 1.00 0.10 C ATOM 211 C PHE A 13 7.588 1.383 -1.780 1.00 0.12 C ATOM 212 O PHE A 13 7.987 0.775 -0.782 1.00 0.18 O ATOM 213 CB PHE A 13 5.115 1.528 -2.080 1.00 0.12 C ATOM 214 CG PHE A 13 3.885 1.016 -2.764 1.00 0.14 C ATOM 215 CD1 PHE A 13 3.458 1.570 -3.957 1.00 0.19 C ATOM 216 CD2 PHE A 13 3.162 -0.026 -2.215 1.00 0.16 C ATOM 217 CE1 PHE A 13 2.329 1.093 -4.588 1.00 0.22 C ATOM 218 CE2 PHE A 13 2.033 -0.508 -2.840 1.00 0.20 C ATOM 219 CZ PHE A 13 1.616 0.053 -4.029 1.00 0.21 C ATOM 220 H PHE A 13 6.201 -0.969 -1.575 1.00 0.14 H ATOM 221 HA PHE A 13 6.540 1.120 -3.625 1.00 0.13 H ATOM 222 HB2 PHE A 13 5.012 1.338 -1.024 1.00 0.12 H ATOM 223 HB3 PHE A 13 5.172 2.593 -2.247 1.00 0.14 H ATOM 224 HD1 PHE A 13 4.015 2.385 -4.393 1.00 0.21 H ATOM 225 HD2 PHE A 13 3.493 -0.466 -1.286 1.00 0.16 H ATOM 226 HE1 PHE A 13 2.004 1.530 -5.518 1.00 0.27 H ATOM 227 HE2 PHE A 13 1.477 -1.321 -2.398 1.00 0.22 H ATOM 228 HZ PHE A 13 0.731 -0.321 -4.519 1.00 0.25 H ATOM 229 N THR A 14 8.156 2.493 -2.224 1.00 0.15 N ATOM 230 CA THR A 14 9.265 3.120 -1.524 1.00 0.17 C ATOM 231 C THR A 14 8.743 4.157 -0.532 1.00 0.13 C ATOM 232 O THR A 14 9.462 4.599 0.365 1.00 0.24 O ATOM 233 CB THR A 14 10.224 3.801 -2.521 1.00 0.28 C ATOM 234 OG1 THR A 14 10.431 2.942 -3.652 1.00 0.85 O ATOM 235 CG2 THR A 14 11.568 4.109 -1.869 1.00 0.95 C ATOM 236 H THR A 14 7.827 2.897 -3.058 1.00 0.20 H ATOM 237 HA THR A 14 9.804 2.354 -0.989 1.00 0.23 H ATOM 238 HB THR A 14 9.779 4.728 -2.854 1.00 0.82 H ATOM 239 HG1 THR A 14 9.990 3.326 -4.424 1.00 1.26 H ATOM 240 HG21 THR A 14 12.211 4.605 -2.581 1.00 1.58 H ATOM 241 HG22 THR A 14 12.032 3.188 -1.548 1.00 1.36 H ATOM 242 HG23 THR A 14 11.415 4.750 -1.014 1.00 1.65 H ATOM 243 N ARG A 15 7.479 4.529 -0.688 1.00 0.13 N ATOM 244 CA ARG A 15 6.871 5.546 0.160 1.00 0.18 C ATOM 245 C ARG A 15 5.678 4.983 0.929 1.00 0.14 C ATOM 246 O ARG A 15 4.791 4.334 0.363 1.00 0.13 O ATOM 247 CB ARG A 15 6.436 6.746 -0.680 1.00 0.31 C ATOM 248 CG ARG A 15 7.589 7.614 -1.159 1.00 0.38 C ATOM 249 CD ARG A 15 7.120 8.692 -2.124 1.00 0.91 C ATOM 250 NE ARG A 15 5.974 9.451 -1.617 1.00 1.61 N ATOM 251 CZ ARG A 15 5.573 10.619 -2.120 1.00 2.07 C ATOM 252 NH1 ARG A 15 6.244 11.183 -3.118 1.00 1.87 N1+ ATOM 253 NH2 ARG A 15 4.493 11.212 -1.631 1.00 3.12 N ATOM 254 H ARG A 15 6.937 4.102 -1.385 1.00 0.20 H ATOM 255 HA ARG A 15 7.618 5.866 0.871 1.00 0.22 H ATOM 256 HB2 ARG A 15 5.904 6.388 -1.548 1.00 0.37 H ATOM 257 HB3 ARG A 15 5.774 7.362 -0.091 1.00 0.40 H ATOM 258 HG2 ARG A 15 8.052 8.084 -0.306 1.00 0.69 H ATOM 259 HG3 ARG A 15 8.312 6.986 -1.662 1.00 0.59 H ATOM 260 HD2 ARG A 15 7.935 9.376 -2.300 1.00 1.32 H ATOM 261 HD3 ARG A 15 6.841 8.223 -3.056 1.00 1.67 H ATOM 262 HE ARG A 15 5.460 9.054 -0.867 1.00 2.18 H ATOM 263 HH11 ARG A 15 7.057 10.732 -3.501 1.00 1.78 H ATOM 264 HH12 ARG A 15 5.943 12.063 -3.494 1.00 2.28 H ATOM 265 HH21 ARG A 15 3.974 10.778 -0.882 1.00 3.70 H ATOM 266 HH22 ARG A 15 4.186 12.092 -2.002 1.00 3.46 H ATOM 267 N SER A 16 5.673 5.253 2.229 1.00 0.15 N ATOM 268 CA SER A 16 4.644 4.761 3.131 1.00 0.14 C ATOM 269 C SER A 16 3.284 5.358 2.805 1.00 0.12 C ATOM 270 O SER A 16 2.256 4.694 2.940 1.00 0.15 O ATOM 271 CB SER A 16 5.039 5.106 4.563 1.00 0.22 C ATOM 272 OG SER A 16 5.611 6.401 4.621 1.00 1.22 O ATOM 273 H SER A 16 6.387 5.815 2.600 1.00 0.19 H ATOM 274 HA SER A 16 4.595 3.688 3.028 1.00 0.16 H ATOM 275 HB2 SER A 16 4.166 5.082 5.195 1.00 0.90 H ATOM 276 HB3 SER A 16 5.764 4.389 4.920 1.00 1.04 H ATOM 277 HG SER A 16 6.145 6.478 5.422 1.00 1.52 H ATOM 278 N ASP A 17 3.289 6.611 2.369 1.00 0.14 N ATOM 279 CA ASP A 17 2.058 7.301 2.010 1.00 0.19 C ATOM 280 C ASP A 17 1.486 6.724 0.724 1.00 0.16 C ATOM 281 O ASP A 17 0.272 6.694 0.534 1.00 0.18 O ATOM 282 CB ASP A 17 2.299 8.809 1.860 1.00 0.28 C ATOM 283 CG ASP A 17 3.079 9.177 0.611 1.00 1.40 C ATOM 284 OD1 ASP A 17 2.510 9.866 -0.266 1.00 2.04 O ATOM 285 OD2 ASP A 17 4.264 8.790 0.503 1.00 2.15 O1- ATOM 286 H ASP A 17 4.142 7.086 2.293 1.00 0.15 H ATOM 287 HA ASP A 17 1.348 7.136 2.806 1.00 0.24 H ATOM 288 HB2 ASP A 17 1.348 9.310 1.823 1.00 1.06 H ATOM 289 HB3 ASP A 17 2.847 9.161 2.720 1.00 0.95 H ATOM 290 N GLU A 18 2.363 6.244 -0.146 1.00 0.15 N ATOM 291 CA GLU A 18 1.934 5.612 -1.383 1.00 0.16 C ATOM 292 C GLU A 18 1.363 4.233 -1.101 1.00 0.11 C ATOM 293 O GLU A 18 0.397 3.816 -1.741 1.00 0.13 O ATOM 294 CB GLU A 18 3.080 5.518 -2.388 1.00 0.25 C ATOM 295 CG GLU A 18 3.583 6.872 -2.848 1.00 0.40 C ATOM 296 CD GLU A 18 4.499 6.771 -4.046 1.00 1.31 C ATOM 297 OE1 GLU A 18 5.672 6.391 -3.873 1.00 2.28 O ATOM 298 OE2 GLU A 18 4.048 7.069 -5.172 1.00 1.61 O1- ATOM 299 H GLU A 18 3.318 6.322 0.047 1.00 0.16 H ATOM 300 HA GLU A 18 1.152 6.224 -1.803 1.00 0.24 H ATOM 301 HB2 GLU A 18 3.903 4.988 -1.931 1.00 0.27 H ATOM 302 HB3 GLU A 18 2.742 4.968 -3.253 1.00 0.28 H ATOM 303 HG2 GLU A 18 2.736 7.487 -3.112 1.00 0.80 H ATOM 304 HG3 GLU A 18 4.128 7.333 -2.037 1.00 0.93 H ATOM 305 N LEU A 19 1.957 3.527 -0.143 1.00 0.11 N ATOM 306 CA LEU A 19 1.395 2.264 0.317 1.00 0.12 C ATOM 307 C LEU A 19 0.032 2.507 0.949 1.00 0.12 C ATOM 308 O LEU A 19 -0.909 1.762 0.708 1.00 0.14 O ATOM 309 CB LEU A 19 2.318 1.574 1.323 1.00 0.14 C ATOM 310 CG LEU A 19 1.735 0.311 1.971 1.00 0.15 C ATOM 311 CD1 LEU A 19 1.510 -0.776 0.930 1.00 0.17 C ATOM 312 CD2 LEU A 19 2.640 -0.198 3.081 1.00 0.17 C ATOM 313 H LEU A 19 2.799 3.856 0.252 1.00 0.12 H ATOM 314 HA LEU A 19 1.269 1.625 -0.546 1.00 0.14 H ATOM 315 HB2 LEU A 19 3.231 1.306 0.811 1.00 0.15 H ATOM 316 HB3 LEU A 19 2.556 2.278 2.105 1.00 0.15 H ATOM 317 HG LEU A 19 0.774 0.553 2.407 1.00 0.15 H ATOM 318 HD11 LEU A 19 0.820 -0.419 0.179 1.00 0.93 H ATOM 319 HD12 LEU A 19 1.102 -1.653 1.408 1.00 0.92 H ATOM 320 HD13 LEU A 19 2.452 -1.025 0.464 1.00 0.94 H ATOM 321 HD21 LEU A 19 2.143 -0.998 3.609 1.00 0.94 H ATOM 322 HD22 LEU A 19 2.859 0.606 3.766 1.00 1.07 H ATOM 323 HD23 LEU A 19 3.559 -0.569 2.653 1.00 1.03 H ATOM 324 N GLN A 20 -0.060 3.559 1.752 1.00 0.15 N ATOM 325 CA GLN A 20 -1.321 3.958 2.368 1.00 0.19 C ATOM 326 C GLN A 20 -2.389 4.210 1.305 1.00 0.15 C ATOM 327 O GLN A 20 -3.495 3.660 1.372 1.00 0.16 O ATOM 328 CB GLN A 20 -1.112 5.213 3.218 1.00 0.27 C ATOM 329 CG GLN A 20 -2.399 5.825 3.740 1.00 1.15 C ATOM 330 CD GLN A 20 -2.157 7.080 4.549 1.00 1.67 C ATOM 331 OE1 GLN A 20 -2.113 8.188 4.007 1.00 2.11 O ATOM 332 NE2 GLN A 20 -2.002 6.919 5.851 1.00 2.50 N ATOM 333 H GLN A 20 0.752 4.077 1.950 1.00 0.17 H ATOM 334 HA GLN A 20 -1.646 3.149 3.006 1.00 0.23 H ATOM 335 HB2 GLN A 20 -0.492 4.959 4.065 1.00 0.82 H ATOM 336 HB3 GLN A 20 -0.602 5.955 2.621 1.00 0.82 H ATOM 337 HG2 GLN A 20 -3.030 6.073 2.901 1.00 1.84 H ATOM 338 HG3 GLN A 20 -2.901 5.101 4.365 1.00 1.71 H ATOM 339 HE21 GLN A 20 -2.052 6.010 6.214 1.00 2.87 H ATOM 340 HE22 GLN A 20 -1.852 7.717 6.403 1.00 3.01 H ATOM 341 N ARG A 21 -2.046 5.031 0.316 1.00 0.15 N ATOM 342 CA ARG A 21 -2.959 5.326 -0.782 1.00 0.19 C ATOM 343 C ARG A 21 -3.360 4.041 -1.485 1.00 0.14 C ATOM 344 O ARG A 21 -4.538 3.812 -1.751 1.00 0.16 O ATOM 345 CB ARG A 21 -2.319 6.292 -1.784 1.00 0.28 C ATOM 346 CG ARG A 21 -2.083 7.688 -1.230 1.00 0.90 C ATOM 347 CD ARG A 21 -1.448 8.599 -2.270 1.00 0.92 C ATOM 348 NE ARG A 21 -2.289 8.751 -3.455 1.00 1.52 N ATOM 349 CZ ARG A 21 -2.255 9.807 -4.265 1.00 1.91 C ATOM 350 NH1 ARG A 21 -1.433 10.821 -4.018 1.00 1.87 N1+ ATOM 351 NH2 ARG A 21 -3.049 9.848 -5.326 1.00 2.78 N ATOM 352 H ARG A 21 -1.153 5.445 0.327 1.00 0.17 H ATOM 353 HA ARG A 21 -3.844 5.785 -0.366 1.00 0.24 H ATOM 354 HB2 ARG A 21 -1.369 5.889 -2.097 1.00 0.71 H ATOM 355 HB3 ARG A 21 -2.966 6.375 -2.644 1.00 0.85 H ATOM 356 HG2 ARG A 21 -3.029 8.111 -0.928 1.00 1.39 H ATOM 357 HG3 ARG A 21 -1.427 7.622 -0.375 1.00 1.31 H ATOM 358 HD2 ARG A 21 -1.288 9.571 -1.830 1.00 1.26 H ATOM 359 HD3 ARG A 21 -0.497 8.180 -2.566 1.00 1.23 H ATOM 360 HE ARG A 21 -2.913 8.018 -3.663 1.00 2.02 H ATOM 361 HH11 ARG A 21 -0.829 10.800 -3.214 1.00 1.76 H ATOM 362 HH12 ARG A 21 -1.413 11.613 -4.632 1.00 2.33 H ATOM 363 HH21 ARG A 21 -3.671 9.085 -5.515 1.00 3.23 H ATOM 364 HH22 ARG A 21 -3.028 10.639 -5.943 1.00 3.13 H ATOM 365 N HIS A 22 -2.380 3.189 -1.754 1.00 0.11 N ATOM 366 CA HIS A 22 -2.638 1.902 -2.370 1.00 0.09 C ATOM 367 C HIS A 22 -3.631 1.096 -1.530 1.00 0.11 C ATOM 368 O HIS A 22 -4.598 0.537 -2.054 1.00 0.15 O ATOM 369 CB HIS A 22 -1.326 1.126 -2.546 1.00 0.11 C ATOM 370 CG HIS A 22 -1.534 -0.292 -2.959 1.00 0.11 C ATOM 371 ND1 HIS A 22 -1.560 -0.731 -4.277 1.00 0.18 N ATOM 372 CD2 HIS A 22 -1.805 -1.375 -2.193 1.00 0.11 C ATOM 373 CE1 HIS A 22 -1.861 -2.039 -4.263 1.00 0.21 C ATOM 374 NE2 HIS A 22 -2.014 -2.441 -3.028 1.00 0.15 N ATOM 375 H HIS A 22 -1.454 3.433 -1.526 1.00 0.13 H ATOM 376 HA HIS A 22 -3.073 2.083 -3.342 1.00 0.11 H ATOM 377 HB2 HIS A 22 -0.726 1.610 -3.301 1.00 0.14 H ATOM 378 HB3 HIS A 22 -0.786 1.125 -1.610 1.00 0.12 H ATOM 379 HD1 HIS A 22 -1.384 -0.182 -5.076 1.00 0.24 H ATOM 380 HD2 HIS A 22 -1.827 -1.409 -1.115 1.00 0.14 H ATOM 381 HE1 HIS A 22 -1.964 -2.665 -5.135 1.00 0.28 H ATOM 382 N LYS A 23 -3.390 1.057 -0.225 1.00 0.13 N ATOM 383 CA LYS A 23 -4.240 0.322 0.703 1.00 0.18 C ATOM 384 C LYS A 23 -5.657 0.872 0.707 1.00 0.17 C ATOM 385 O LYS A 23 -6.602 0.149 1.018 1.00 0.21 O ATOM 386 CB LYS A 23 -3.666 0.377 2.117 1.00 0.26 C ATOM 387 CG LYS A 23 -2.404 -0.447 2.316 1.00 0.57 C ATOM 388 CD LYS A 23 -2.683 -1.937 2.232 1.00 0.99 C ATOM 389 CE LYS A 23 -1.477 -2.752 2.665 1.00 1.50 C ATOM 390 NZ LYS A 23 -1.745 -4.211 2.596 1.00 1.93 N1+ ATOM 391 H LYS A 23 -2.611 1.539 0.127 1.00 0.13 H ATOM 392 HA LYS A 23 -4.270 -0.704 0.375 1.00 0.24 H ATOM 393 HB2 LYS A 23 -3.438 1.404 2.357 1.00 0.56 H ATOM 394 HB3 LYS A 23 -4.415 0.015 2.806 1.00 0.66 H ATOM 395 HG2 LYS A 23 -1.690 -0.183 1.552 1.00 1.21 H ATOM 396 HG3 LYS A 23 -1.989 -0.222 3.288 1.00 1.27 H ATOM 397 HD2 LYS A 23 -3.516 -2.177 2.875 1.00 1.75 H ATOM 398 HD3 LYS A 23 -2.929 -2.192 1.214 1.00 1.44 H ATOM 399 HE2 LYS A 23 -0.649 -2.518 2.016 1.00 1.79 H ATOM 400 HE3 LYS A 23 -1.226 -2.489 3.681 1.00 2.05 H ATOM 401 HZ1 LYS A 23 -0.941 -4.740 2.986 1.00 2.29 H ATOM 402 HZ2 LYS A 23 -1.894 -4.503 1.611 1.00 2.36 H ATOM 403 HZ3 LYS A 23 -2.598 -4.446 3.148 1.00 2.11 H ATOM 404 N ARG A 24 -5.800 2.145 0.349 1.00 0.17 N ATOM 405 CA ARG A 24 -7.112 2.777 0.269 1.00 0.23 C ATOM 406 C ARG A 24 -7.997 2.067 -0.758 1.00 0.22 C ATOM 407 O ARG A 24 -9.224 2.133 -0.686 1.00 0.33 O ATOM 408 CB ARG A 24 -6.947 4.259 -0.080 1.00 0.34 C ATOM 409 CG ARG A 24 -8.251 5.020 -0.242 1.00 0.92 C ATOM 410 CD ARG A 24 -7.984 6.487 -0.528 1.00 0.92 C ATOM 411 NE ARG A 24 -9.205 7.236 -0.816 1.00 1.57 N ATOM 412 CZ ARG A 24 -9.316 8.555 -0.666 1.00 1.89 C ATOM 413 NH1 ARG A 24 -8.291 9.267 -0.213 1.00 1.57 N1+ ATOM 414 NH2 ARG A 24 -10.455 9.157 -0.972 1.00 2.84 N ATOM 415 H ARG A 24 -4.994 2.682 0.139 1.00 0.18 H ATOM 416 HA ARG A 24 -7.578 2.696 1.239 1.00 0.28 H ATOM 417 HB2 ARG A 24 -6.378 4.737 0.703 1.00 0.81 H ATOM 418 HB3 ARG A 24 -6.397 4.335 -1.006 1.00 0.82 H ATOM 419 HG2 ARG A 24 -8.808 4.594 -1.064 1.00 1.39 H ATOM 420 HG3 ARG A 24 -8.826 4.935 0.670 1.00 1.39 H ATOM 421 HD2 ARG A 24 -7.503 6.926 0.333 1.00 1.14 H ATOM 422 HD3 ARG A 24 -7.322 6.557 -1.379 1.00 1.40 H ATOM 423 HE ARG A 24 -9.979 6.729 -1.144 1.00 2.11 H ATOM 424 HH11 ARG A 24 -8.377 10.261 -0.101 1.00 1.94 H ATOM 425 HH12 ARG A 24 -7.426 8.815 0.016 1.00 1.49 H ATOM 426 HH21 ARG A 24 -10.548 10.150 -0.861 1.00 3.18 H ATOM 427 HH22 ARG A 24 -11.235 8.616 -1.322 1.00 3.39 H ATOM 428 N THR A 25 -7.368 1.366 -1.696 1.00 0.21 N ATOM 429 CA THR A 25 -8.103 0.628 -2.712 1.00 0.27 C ATOM 430 C THR A 25 -8.617 -0.701 -2.153 1.00 0.26 C ATOM 431 O THR A 25 -9.539 -1.305 -2.705 1.00 0.34 O ATOM 432 CB THR A 25 -7.224 0.349 -3.944 1.00 0.37 C ATOM 433 OG1 THR A 25 -6.214 1.359 -4.062 1.00 1.28 O ATOM 434 CG2 THR A 25 -8.063 0.322 -5.211 1.00 1.04 C ATOM 435 H THR A 25 -6.386 1.345 -1.704 1.00 0.23 H ATOM 436 HA THR A 25 -8.945 1.230 -3.021 1.00 0.29 H ATOM 437 HB THR A 25 -6.751 -0.614 -3.820 1.00 0.93 H ATOM 438 HG1 THR A 25 -5.423 1.070 -3.588 1.00 1.45 H ATOM 439 HG21 THR A 25 -8.517 1.290 -5.363 1.00 1.50 H ATOM 440 HG22 THR A 25 -8.834 -0.427 -5.116 1.00 1.73 H ATOM 441 HG23 THR A 25 -7.432 0.084 -6.055 1.00 1.63 H ATOM 442 N HIS A 26 -8.012 -1.156 -1.060 1.00 0.22 N ATOM 443 CA HIS A 26 -8.444 -2.385 -0.405 1.00 0.25 C ATOM 444 C HIS A 26 -9.453 -2.065 0.691 1.00 0.32 C ATOM 445 O HIS A 26 -10.481 -2.728 0.821 1.00 0.40 O ATOM 446 CB HIS A 26 -7.262 -3.144 0.213 1.00 0.27 C ATOM 447 CG HIS A 26 -6.264 -3.696 -0.762 1.00 0.23 C ATOM 448 ND1 HIS A 26 -6.548 -4.666 -1.721 1.00 0.26 N ATOM 449 CD2 HIS A 26 -4.936 -3.438 -0.874 1.00 0.20 C ATOM 450 CE1 HIS A 26 -5.400 -4.963 -2.363 1.00 0.26 C ATOM 451 NE2 HIS A 26 -4.424 -4.240 -1.874 1.00 0.21 N ATOM 452 H HIS A 26 -7.268 -0.645 -0.673 1.00 0.22 H ATOM 453 HA HIS A 26 -8.918 -3.010 -1.147 1.00 0.30 H ATOM 454 HB2 HIS A 26 -6.729 -2.477 0.872 1.00 0.30 H ATOM 455 HB3 HIS A 26 -7.647 -3.970 0.794 1.00 0.34 H ATOM 456 HD1 HIS A 26 -7.429 -5.074 -1.892 1.00 0.30 H ATOM 457 HD2 HIS A 26 -4.369 -2.736 -0.283 1.00 0.20 H ATOM 458 HE1 HIS A 26 -5.298 -5.690 -3.154 1.00 0.32 H