ATOM 1 N ARG A 1 14.444 -0.976 3.208 1.00 0.94 N ATOM 2 CA ARG A 1 13.297 -1.903 3.086 1.00 0.76 C ATOM 3 C ARG A 1 12.128 -1.195 2.415 1.00 0.57 C ATOM 4 O ARG A 1 11.781 -0.072 2.785 1.00 0.60 O ATOM 5 CB ARG A 1 12.858 -2.410 4.467 1.00 0.96 C ATOM 6 CG ARG A 1 13.935 -3.176 5.219 1.00 1.90 C ATOM 7 CD ARG A 1 13.441 -3.631 6.586 1.00 2.39 C ATOM 8 NE ARG A 1 14.485 -4.314 7.350 1.00 2.87 N ATOM 9 CZ ARG A 1 14.356 -4.686 8.626 1.00 3.54 C ATOM 10 NH1 ARG A 1 13.229 -4.435 9.286 1.00 3.82 N1+ ATOM 11 NH2 ARG A 1 15.355 -5.311 9.239 1.00 4.30 N ATOM 12 H1 ARG A 1 15.249 -1.450 3.660 1.00 1.46 H ATOM 13 H2 ARG A 1 14.177 -0.148 3.779 1.00 1.52 H ATOM 14 H3 ARG A 1 14.734 -0.644 2.266 1.00 1.16 H ATOM 15 HA ARG A 1 13.600 -2.740 2.477 1.00 0.83 H ATOM 16 HB2 ARG A 1 12.562 -1.565 5.069 1.00 1.28 H ATOM 17 HB3 ARG A 1 12.007 -3.063 4.340 1.00 1.25 H ATOM 18 HG2 ARG A 1 14.214 -4.044 4.641 1.00 2.21 H ATOM 19 HG3 ARG A 1 14.796 -2.535 5.348 1.00 2.47 H ATOM 20 HD2 ARG A 1 13.111 -2.767 7.145 1.00 2.73 H ATOM 21 HD3 ARG A 1 12.609 -4.306 6.449 1.00 2.75 H ATOM 22 HE ARG A 1 15.328 -4.508 6.884 1.00 3.05 H ATOM 23 HH11 ARG A 1 13.131 -4.713 10.246 1.00 4.43 H ATOM 24 HH12 ARG A 1 12.469 -3.966 8.828 1.00 3.69 H ATOM 25 HH21 ARG A 1 16.207 -5.508 8.748 1.00 4.52 H ATOM 26 HH22 ARG A 1 15.262 -5.591 10.199 1.00 4.84 H ATOM 27 N PRO A 2 11.511 -1.832 1.411 1.00 0.48 N ATOM 28 CA PRO A 2 10.355 -1.265 0.721 1.00 0.37 C ATOM 29 C PRO A 2 9.074 -1.426 1.528 1.00 0.31 C ATOM 30 O PRO A 2 9.012 -2.212 2.475 1.00 0.43 O ATOM 31 CB PRO A 2 10.283 -2.086 -0.564 1.00 0.45 C ATOM 32 CG PRO A 2 10.829 -3.419 -0.179 1.00 0.58 C ATOM 33 CD PRO A 2 11.887 -3.151 0.865 1.00 0.63 C ATOM 34 HA PRO A 2 10.503 -0.222 0.482 1.00 0.40 H ATOM 35 HB2 PRO A 2 9.252 -2.156 -0.893 1.00 0.46 H ATOM 36 HB3 PRO A 2 10.884 -1.619 -1.331 1.00 0.51 H ATOM 37 HG2 PRO A 2 10.040 -4.030 0.235 1.00 0.60 H ATOM 38 HG3 PRO A 2 11.264 -3.901 -1.041 1.00 0.69 H ATOM 39 HD2 PRO A 2 11.857 -3.909 1.633 1.00 0.74 H ATOM 40 HD3 PRO A 2 12.865 -3.112 0.409 1.00 0.73 H ATOM 41 N PHE A 3 8.064 -0.669 1.150 1.00 0.19 N ATOM 42 CA PHE A 3 6.759 -0.750 1.772 1.00 0.16 C ATOM 43 C PHE A 3 5.859 -1.635 0.926 1.00 0.15 C ATOM 44 O PHE A 3 5.233 -1.173 -0.026 1.00 0.18 O ATOM 45 CB PHE A 3 6.153 0.646 1.914 1.00 0.14 C ATOM 46 CG PHE A 3 6.944 1.558 2.804 1.00 0.15 C ATOM 47 CD1 PHE A 3 7.910 2.402 2.280 1.00 0.14 C ATOM 48 CD2 PHE A 3 6.718 1.569 4.169 1.00 0.22 C ATOM 49 CE1 PHE A 3 8.636 3.240 3.104 1.00 0.17 C ATOM 50 CE2 PHE A 3 7.440 2.404 4.998 1.00 0.25 C ATOM 51 CZ PHE A 3 8.401 3.242 4.465 1.00 0.21 C ATOM 52 H PHE A 3 8.198 -0.036 0.414 1.00 0.19 H ATOM 53 HA PHE A 3 6.876 -1.194 2.750 1.00 0.22 H ATOM 54 HB2 PHE A 3 6.092 1.105 0.940 1.00 0.13 H ATOM 55 HB3 PHE A 3 5.163 0.559 2.326 1.00 0.19 H ATOM 56 HD1 PHE A 3 8.093 2.401 1.215 1.00 0.16 H ATOM 57 HD2 PHE A 3 5.966 0.915 4.586 1.00 0.26 H ATOM 58 HE1 PHE A 3 9.386 3.894 2.682 1.00 0.19 H ATOM 59 HE2 PHE A 3 7.253 2.403 6.062 1.00 0.31 H ATOM 60 HZ PHE A 3 8.967 3.897 5.111 1.00 0.24 H HETATM 61 N NLE A 4 5.827 -2.913 1.256 1.00 0.15 N HETATM 62 CA NLE A 4 5.076 -3.884 0.478 1.00 0.15 C HETATM 63 C NLE A 4 3.694 -4.107 1.075 1.00 0.15 C HETATM 64 O NLE A 4 3.544 -4.233 2.293 1.00 0.21 O HETATM 65 CB NLE A 4 5.839 -5.213 0.422 1.00 0.21 C HETATM 66 CG NLE A 4 5.166 -6.276 -0.434 1.00 0.26 C HETATM 67 CD NLE A 4 5.964 -7.569 -0.441 1.00 0.33 C HETATM 68 CE NLE A 4 5.261 -8.617 -1.274 1.00 0.85 C HETATM 69 H NLE A 4 6.317 -3.213 2.053 1.00 0.20 H HETATM 70 HA NLE A 4 4.966 -3.497 -0.521 1.00 0.15 H HETATM 71 HB2 NLE A 4 5.932 -5.600 1.425 1.00 0.25 H HETATM 72 HB3 NLE A 4 6.827 -5.033 0.026 1.00 0.22 H HETATM 73 HG2 NLE A 4 5.082 -5.910 -1.447 1.00 0.26 H HETATM 74 HG3 NLE A 4 4.183 -6.476 -0.035 1.00 0.27 H HETATM 75 HD2 NLE A 4 6.063 -7.936 0.572 1.00 0.80 H HETATM 76 HD3 NLE A 4 6.939 -7.386 -0.865 1.00 0.79 H HETATM 77 HE1 NLE A 4 5.152 -8.258 -2.288 1.00 1.36 H HETATM 78 HE2 NLE A 4 4.286 -8.815 -0.855 1.00 1.52 H HETATM 79 HE3 NLE A 4 5.843 -9.526 -1.275 1.00 1.43 H ATOM 80 N CYS A 5 2.687 -4.130 0.213 1.00 0.13 N ATOM 81 CA CYS A 5 1.334 -4.460 0.625 1.00 0.18 C ATOM 82 C CYS A 5 1.282 -5.915 1.086 1.00 0.29 C ATOM 83 O CYS A 5 1.878 -6.789 0.459 1.00 0.33 O ATOM 84 CB CYS A 5 0.358 -4.223 -0.529 1.00 0.13 C ATOM 85 SG CYS A 5 -1.356 -4.657 -0.156 1.00 0.20 S ATOM 86 H CYS A 5 2.863 -3.918 -0.732 1.00 0.11 H ATOM 87 HA CYS A 5 1.070 -3.820 1.452 1.00 0.26 H ATOM 88 HB2 CYS A 5 0.378 -3.179 -0.799 1.00 0.17 H ATOM 89 HB3 CYS A 5 0.670 -4.812 -1.377 1.00 0.13 H ATOM 90 N THR A 6 0.593 -6.167 2.188 1.00 0.42 N ATOM 91 CA THR A 6 0.499 -7.513 2.733 1.00 0.57 C ATOM 92 C THR A 6 -0.954 -7.968 2.824 1.00 0.46 C ATOM 93 O THR A 6 -1.343 -8.677 3.755 1.00 0.49 O ATOM 94 CB THR A 6 1.164 -7.594 4.123 1.00 0.85 C ATOM 95 OG1 THR A 6 0.725 -6.501 4.943 1.00 1.31 O ATOM 96 CG2 THR A 6 2.682 -7.565 4.005 1.00 1.22 C ATOM 97 H THR A 6 0.138 -5.431 2.650 1.00 0.45 H ATOM 98 HA THR A 6 1.027 -8.176 2.066 1.00 0.64 H ATOM 99 HB THR A 6 0.872 -8.525 4.589 1.00 0.76 H ATOM 100 HG1 THR A 6 1.195 -5.699 4.682 1.00 1.76 H ATOM 101 HG21 THR A 6 3.014 -8.410 3.421 1.00 1.66 H ATOM 102 HG22 THR A 6 3.120 -7.612 4.991 1.00 1.79 H ATOM 103 HG23 THR A 6 2.986 -6.649 3.519 1.00 1.53 H ATOM 104 N TRP A 7 -1.756 -7.564 1.847 1.00 0.44 N ATOM 105 CA TRP A 7 -3.169 -7.901 1.841 1.00 0.38 C ATOM 106 C TRP A 7 -3.387 -9.269 1.199 1.00 0.51 C ATOM 107 O TRP A 7 -3.698 -9.368 0.012 1.00 0.61 O ATOM 108 CB TRP A 7 -3.967 -6.834 1.091 1.00 0.39 C ATOM 109 CG TRP A 7 -5.424 -6.838 1.424 1.00 0.42 C ATOM 110 CD1 TRP A 7 -6.381 -7.667 0.921 1.00 0.49 C ATOM 111 CD2 TRP A 7 -6.091 -5.958 2.333 1.00 0.51 C ATOM 112 NE1 TRP A 7 -7.604 -7.365 1.469 1.00 0.57 N ATOM 113 CE2 TRP A 7 -7.451 -6.315 2.339 1.00 0.59 C ATOM 114 CE3 TRP A 7 -5.665 -4.905 3.144 1.00 0.62 C ATOM 115 CZ2 TRP A 7 -8.389 -5.654 3.127 1.00 0.73 C ATOM 116 CZ3 TRP A 7 -6.596 -4.249 3.924 1.00 0.78 C ATOM 117 CH2 TRP A 7 -7.944 -4.624 3.911 1.00 0.82 C ATOM 118 H TRP A 7 -1.388 -7.031 1.109 1.00 0.52 H ATOM 119 HA TRP A 7 -3.509 -7.940 2.865 1.00 0.36 H ATOM 120 HB2 TRP A 7 -3.572 -5.860 1.333 1.00 0.42 H ATOM 121 HB3 TRP A 7 -3.866 -7.003 0.030 1.00 0.45 H ATOM 122 HD1 TRP A 7 -6.188 -8.446 0.200 1.00 0.55 H ATOM 123 HE1 TRP A 7 -8.449 -7.823 1.269 1.00 0.66 H ATOM 124 HE3 TRP A 7 -4.628 -4.602 3.165 1.00 0.64 H ATOM 125 HZ2 TRP A 7 -9.433 -5.932 3.129 1.00 0.80 H ATOM 126 HZ3 TRP A 7 -6.285 -3.430 4.555 1.00 0.91 H ATOM 127 HH2 TRP A 7 -8.636 -4.081 4.537 1.00 0.95 H HETATM 128 N ORN A 8 -1.587 -13.293 -1.755 1.00 0.96 N HETATM 129 CA ORN A 8 -1.898 -11.942 -1.239 1.00 0.74 C HETATM 130 CB ORN A 8 -1.255 -11.731 0.136 1.00 0.85 C HETATM 131 CG ORN A 8 -2.010 -12.394 1.276 1.00 0.95 C HETATM 132 CD ORN A 8 -3.345 -11.708 1.541 1.00 0.76 C HETATM 133 NE ORN A 8 -3.182 -10.322 1.980 1.00 0.57 N HETATM 134 C ORN A 8 -1.405 -10.870 -2.196 1.00 0.57 C HETATM 135 O ORN A 8 -0.427 -11.067 -2.919 1.00 0.62 O HETATM 136 H ORN A 8 -1.894 -14.019 -1.078 1.00 1.31 H HETATM 137 HA ORN A 8 -2.970 -11.855 -1.144 1.00 0.68 H HETATM 138 HB2 ORN A 8 -1.208 -10.671 0.336 1.00 1.41 H HETATM 139 HB3 ORN A 8 -0.253 -12.130 0.117 1.00 1.23 H HETATM 140 HG2 ORN A 8 -1.405 -12.345 2.170 1.00 1.68 H HETATM 141 HG3 ORN A 8 -2.192 -13.427 1.021 1.00 1.12 H HETATM 142 HD2 ORN A 8 -3.873 -12.257 2.306 1.00 0.81 H HETATM 143 HD3 ORN A 8 -3.926 -11.716 0.632 1.00 0.75 H HETATM 144 HE1 ORN A 8 -2.904 -10.169 2.908 1.00 0.53 H HETATM 145 HT3 ORN A 8 -2.075 -13.451 -2.659 1.00 1.21 H ATOM 146 N CYS A 9 -2.100 -9.744 -2.206 1.00 0.41 N ATOM 147 CA CYS A 9 -1.662 -8.575 -2.945 1.00 0.30 C ATOM 148 C CYS A 9 -0.377 -8.041 -2.325 1.00 0.26 C ATOM 149 O CYS A 9 -0.334 -7.778 -1.122 1.00 0.34 O ATOM 150 CB CYS A 9 -2.753 -7.508 -2.914 1.00 0.29 C ATOM 151 SG CYS A 9 -2.251 -5.916 -3.596 1.00 0.23 S ATOM 152 H CYS A 9 -2.937 -9.694 -1.688 1.00 0.39 H ATOM 153 HA CYS A 9 -1.474 -8.869 -3.966 1.00 0.32 H ATOM 154 HB2 CYS A 9 -3.605 -7.853 -3.479 1.00 0.33 H ATOM 155 HB3 CYS A 9 -3.051 -7.346 -1.889 1.00 0.30 H ATOM 156 N GLY A 10 0.667 -7.898 -3.131 1.00 0.25 N ATOM 157 CA GLY A 10 1.953 -7.508 -2.598 1.00 0.27 C ATOM 158 C GLY A 10 2.720 -6.570 -3.502 1.00 0.21 C ATOM 159 O GLY A 10 3.813 -6.895 -3.963 1.00 0.30 O ATOM 160 H GLY A 10 0.564 -8.059 -4.091 1.00 0.32 H ATOM 161 HA2 GLY A 10 1.799 -7.023 -1.647 1.00 0.31 H ATOM 162 HA3 GLY A 10 2.543 -8.398 -2.441 1.00 0.34 H ATOM 163 N LYS A 11 2.148 -5.408 -3.767 1.00 0.17 N ATOM 164 CA LYS A 11 2.853 -4.370 -4.503 1.00 0.16 C ATOM 165 C LYS A 11 3.843 -3.671 -3.580 1.00 0.16 C ATOM 166 O LYS A 11 3.530 -3.399 -2.420 1.00 0.21 O ATOM 167 CB LYS A 11 1.862 -3.358 -5.080 1.00 0.24 C ATOM 168 CG LYS A 11 0.923 -3.944 -6.120 1.00 0.75 C ATOM 169 CD LYS A 11 -0.081 -2.911 -6.599 1.00 0.58 C ATOM 170 CE LYS A 11 -1.032 -3.488 -7.635 1.00 1.49 C ATOM 171 NZ LYS A 11 -0.334 -3.848 -8.897 1.00 2.05 N1+ ATOM 172 H LYS A 11 1.234 -5.243 -3.462 1.00 0.24 H ATOM 173 HA LYS A 11 3.394 -4.840 -5.312 1.00 0.18 H ATOM 174 HB2 LYS A 11 1.266 -2.958 -4.274 1.00 0.71 H ATOM 175 HB3 LYS A 11 2.416 -2.553 -5.541 1.00 0.81 H ATOM 176 HG2 LYS A 11 1.503 -4.288 -6.963 1.00 1.30 H ATOM 177 HG3 LYS A 11 0.390 -4.776 -5.683 1.00 1.24 H ATOM 178 HD2 LYS A 11 -0.653 -2.565 -5.752 1.00 0.70 H ATOM 179 HD3 LYS A 11 0.454 -2.080 -7.036 1.00 0.86 H ATOM 180 HE2 LYS A 11 -1.493 -4.374 -7.225 1.00 2.21 H ATOM 181 HE3 LYS A 11 -1.795 -2.755 -7.851 1.00 1.86 H ATOM 182 HZ1 LYS A 11 0.422 -4.533 -8.707 1.00 2.40 H ATOM 183 HZ2 LYS A 11 0.086 -3.001 -9.328 1.00 2.57 H ATOM 184 HZ3 LYS A 11 -1.005 -4.269 -9.569 1.00 2.43 H ATOM 185 N ARG A 12 5.040 -3.408 -4.084 1.00 0.14 N ATOM 186 CA ARG A 12 6.077 -2.762 -3.290 1.00 0.17 C ATOM 187 C ARG A 12 6.169 -1.277 -3.615 1.00 0.15 C ATOM 188 O ARG A 12 6.195 -0.883 -4.781 1.00 0.24 O ATOM 189 CB ARG A 12 7.428 -3.437 -3.529 1.00 0.26 C ATOM 190 CG ARG A 12 7.473 -4.884 -3.067 1.00 0.83 C ATOM 191 CD ARG A 12 8.795 -5.548 -3.424 1.00 0.78 C ATOM 192 NE ARG A 12 8.888 -6.902 -2.878 1.00 1.85 N ATOM 193 CZ ARG A 12 9.153 -7.988 -3.606 1.00 2.32 C ATOM 194 NH1 ARG A 12 9.310 -7.898 -4.923 1.00 2.15 N1+ ATOM 195 NH2 ARG A 12 9.245 -9.171 -3.015 1.00 3.36 N ATOM 196 H ARG A 12 5.235 -3.656 -5.012 1.00 0.14 H ATOM 197 HA ARG A 12 5.807 -2.869 -2.249 1.00 0.21 H ATOM 198 HB2 ARG A 12 7.648 -3.412 -4.586 1.00 0.90 H ATOM 199 HB3 ARG A 12 8.191 -2.887 -2.998 1.00 0.85 H ATOM 200 HG2 ARG A 12 7.347 -4.914 -1.997 1.00 1.33 H ATOM 201 HG3 ARG A 12 6.669 -5.428 -3.541 1.00 1.38 H ATOM 202 HD2 ARG A 12 8.878 -5.597 -4.498 1.00 0.99 H ATOM 203 HD3 ARG A 12 9.603 -4.953 -3.026 1.00 0.93 H ATOM 204 HE ARG A 12 8.760 -7.003 -1.907 1.00 2.49 H ATOM 205 HH11 ARG A 12 9.232 -7.012 -5.384 1.00 1.82 H ATOM 206 HH12 ARG A 12 9.512 -8.720 -5.464 1.00 2.73 H ATOM 207 HH21 ARG A 12 9.443 -9.992 -3.560 1.00 3.75 H ATOM 208 HH22 ARG A 12 9.116 -9.254 -2.025 1.00 3.87 H ATOM 209 N PHE A 13 6.210 -0.459 -2.575 1.00 0.10 N ATOM 210 CA PHE A 13 6.285 0.985 -2.726 1.00 0.10 C ATOM 211 C PHE A 13 7.503 1.522 -1.994 1.00 0.12 C ATOM 212 O PHE A 13 7.983 0.911 -1.047 1.00 0.18 O ATOM 213 CB PHE A 13 5.016 1.629 -2.170 1.00 0.12 C ATOM 214 CG PHE A 13 3.767 1.071 -2.777 1.00 0.14 C ATOM 215 CD1 PHE A 13 3.271 1.591 -3.958 1.00 0.19 C ATOM 216 CD2 PHE A 13 3.083 0.039 -2.160 1.00 0.16 C ATOM 217 CE1 PHE A 13 2.114 1.092 -4.515 1.00 0.22 C ATOM 218 CE2 PHE A 13 1.925 -0.466 -2.712 1.00 0.20 C ATOM 219 CZ PHE A 13 1.472 0.013 -3.911 1.00 0.21 C ATOM 220 H PHE A 13 6.179 -0.838 -1.668 1.00 0.14 H ATOM 221 HA PHE A 13 6.370 1.213 -3.777 1.00 0.13 H ATOM 222 HB2 PHE A 13 4.972 1.463 -1.103 1.00 0.12 H ATOM 223 HB3 PHE A 13 5.039 2.690 -2.366 1.00 0.14 H ATOM 224 HD1 PHE A 13 3.798 2.399 -4.443 1.00 0.21 H ATOM 225 HD2 PHE A 13 3.465 -0.373 -1.239 1.00 0.16 H ATOM 226 HE1 PHE A 13 1.737 1.507 -5.438 1.00 0.27 H ATOM 227 HE2 PHE A 13 1.398 -1.272 -2.223 1.00 0.22 H ATOM 228 HZ PHE A 13 0.577 -0.399 -4.350 1.00 0.25 H ATOM 229 N THR A 14 8.013 2.656 -2.440 1.00 0.15 N ATOM 230 CA THR A 14 9.172 3.262 -1.808 1.00 0.17 C ATOM 231 C THR A 14 8.739 4.296 -0.765 1.00 0.13 C ATOM 232 O THR A 14 9.568 4.914 -0.095 1.00 0.24 O ATOM 233 CB THR A 14 10.072 3.926 -2.868 1.00 0.28 C ATOM 234 OG1 THR A 14 10.120 3.094 -4.038 1.00 0.85 O ATOM 235 CG2 THR A 14 11.487 4.131 -2.345 1.00 0.95 C ATOM 236 H THR A 14 7.620 3.083 -3.229 1.00 0.20 H ATOM 237 HA THR A 14 9.736 2.480 -1.318 1.00 0.23 H ATOM 238 HB THR A 14 9.651 4.887 -3.129 1.00 0.82 H ATOM 239 HG1 THR A 14 10.962 3.225 -4.488 1.00 1.26 H ATOM 240 HG21 THR A 14 11.457 4.752 -1.461 1.00 1.58 H ATOM 241 HG22 THR A 14 12.085 4.613 -3.104 1.00 1.36 H ATOM 242 HG23 THR A 14 11.922 3.175 -2.098 1.00 1.65 H ATOM 243 N ARG A 15 7.429 4.467 -0.621 1.00 0.13 N ATOM 244 CA ARG A 15 6.876 5.451 0.304 1.00 0.18 C ATOM 245 C ARG A 15 5.693 4.861 1.064 1.00 0.14 C ATOM 246 O ARG A 15 4.833 4.195 0.479 1.00 0.13 O ATOM 247 CB ARG A 15 6.422 6.702 -0.457 1.00 0.31 C ATOM 248 CG ARG A 15 7.536 7.408 -1.215 1.00 0.38 C ATOM 249 CD ARG A 15 7.046 8.699 -1.849 1.00 0.91 C ATOM 250 NE ARG A 15 8.106 9.382 -2.582 1.00 1.61 N ATOM 251 CZ ARG A 15 8.144 10.696 -2.782 1.00 2.07 C ATOM 252 NH1 ARG A 15 7.181 11.473 -2.300 1.00 1.87 N1+ ATOM 253 NH2 ARG A 15 9.143 11.234 -3.471 1.00 3.12 N ATOM 254 H ARG A 15 6.816 3.907 -1.142 1.00 0.20 H ATOM 255 HA ARG A 15 7.652 5.720 1.007 1.00 0.22 H ATOM 256 HB2 ARG A 15 5.663 6.416 -1.167 1.00 0.37 H ATOM 257 HB3 ARG A 15 5.997 7.401 0.247 1.00 0.40 H ATOM 258 HG2 ARG A 15 8.338 7.636 -0.530 1.00 0.69 H ATOM 259 HG3 ARG A 15 7.899 6.751 -1.991 1.00 0.59 H ATOM 260 HD2 ARG A 15 6.242 8.470 -2.531 1.00 1.32 H ATOM 261 HD3 ARG A 15 6.682 9.353 -1.070 1.00 1.67 H ATOM 262 HE ARG A 15 8.831 8.825 -2.948 1.00 2.18 H ATOM 263 HH11 ARG A 15 6.421 11.072 -1.784 1.00 1.78 H ATOM 264 HH12 ARG A 15 7.213 12.464 -2.444 1.00 2.28 H ATOM 265 HH21 ARG A 15 9.873 10.652 -3.842 1.00 3.70 H ATOM 266 HH22 ARG A 15 9.176 12.225 -3.619 1.00 3.46 H ATOM 267 N SER A 16 5.653 5.115 2.369 1.00 0.15 N ATOM 268 CA SER A 16 4.584 4.613 3.222 1.00 0.14 C ATOM 269 C SER A 16 3.257 5.280 2.877 1.00 0.12 C ATOM 270 O SER A 16 2.198 4.662 2.968 1.00 0.15 O ATOM 271 CB SER A 16 4.933 4.858 4.688 1.00 0.22 C ATOM 272 OG SER A 16 5.415 6.177 4.874 1.00 1.22 O ATOM 273 H SER A 16 6.363 5.662 2.775 1.00 0.19 H ATOM 274 HA SER A 16 4.497 3.549 3.053 1.00 0.16 H ATOM 275 HB2 SER A 16 4.051 4.724 5.294 1.00 0.90 H ATOM 276 HB3 SER A 16 5.696 4.162 4.998 1.00 1.04 H ATOM 277 HG SER A 16 4.718 6.718 5.266 1.00 1.52 H ATOM 278 N ASP A 17 3.330 6.547 2.480 1.00 0.14 N ATOM 279 CA ASP A 17 2.153 7.286 2.037 1.00 0.19 C ATOM 280 C ASP A 17 1.579 6.669 0.771 1.00 0.16 C ATOM 281 O ASP A 17 0.370 6.668 0.563 1.00 0.18 O ATOM 282 CB ASP A 17 2.487 8.761 1.785 1.00 0.28 C ATOM 283 CG ASP A 17 2.649 9.565 3.062 1.00 1.40 C ATOM 284 OD1 ASP A 17 1.649 10.139 3.542 1.00 2.04 O ATOM 285 OD2 ASP A 17 3.781 9.639 3.587 1.00 2.15 O1- ATOM 286 H ASP A 17 4.201 7.001 2.500 1.00 0.15 H ATOM 287 HA ASP A 17 1.412 7.223 2.819 1.00 0.24 H ATOM 288 HB2 ASP A 17 3.407 8.824 1.228 1.00 1.06 H ATOM 289 HB3 ASP A 17 1.695 9.203 1.204 1.00 0.95 H ATOM 290 N GLU A 18 2.457 6.135 -0.067 1.00 0.15 N ATOM 291 CA GLU A 18 2.042 5.486 -1.300 1.00 0.16 C ATOM 292 C GLU A 18 1.448 4.116 -1.008 1.00 0.11 C ATOM 293 O GLU A 18 0.515 3.683 -1.681 1.00 0.13 O ATOM 294 CB GLU A 18 3.223 5.363 -2.259 1.00 0.25 C ATOM 295 CG GLU A 18 3.633 6.684 -2.886 1.00 0.40 C ATOM 296 CD GLU A 18 2.662 7.153 -3.954 1.00 1.31 C ATOM 297 OE1 GLU A 18 2.830 6.749 -5.124 1.00 2.28 O ATOM 298 OE2 GLU A 18 1.737 7.929 -3.639 1.00 1.61 O1- ATOM 299 H GLU A 18 3.408 6.174 0.152 1.00 0.16 H ATOM 300 HA GLU A 18 1.282 6.101 -1.756 1.00 0.24 H ATOM 301 HB2 GLU A 18 4.071 4.968 -1.721 1.00 0.27 H ATOM 302 HB3 GLU A 18 2.960 4.679 -3.053 1.00 0.28 H ATOM 303 HG2 GLU A 18 3.679 7.436 -2.109 1.00 0.80 H ATOM 304 HG3 GLU A 18 4.609 6.565 -3.332 1.00 0.93 H ATOM 305 N LEU A 19 1.989 3.439 -0.001 1.00 0.11 N ATOM 306 CA LEU A 19 1.433 2.166 0.439 1.00 0.12 C ATOM 307 C LEU A 19 0.042 2.370 1.025 1.00 0.12 C ATOM 308 O LEU A 19 -0.888 1.638 0.702 1.00 0.14 O ATOM 309 CB LEU A 19 2.344 1.503 1.471 1.00 0.14 C ATOM 310 CG LEU A 19 1.767 0.244 2.126 1.00 0.15 C ATOM 311 CD1 LEU A 19 1.475 -0.817 1.079 1.00 0.17 C ATOM 312 CD2 LEU A 19 2.720 -0.298 3.178 1.00 0.17 C ATOM 313 H LEU A 19 2.788 3.796 0.448 1.00 0.12 H ATOM 314 HA LEU A 19 1.354 1.524 -0.426 1.00 0.14 H ATOM 315 HB2 LEU A 19 3.272 1.239 0.984 1.00 0.15 H ATOM 316 HB3 LEU A 19 2.555 2.221 2.247 1.00 0.15 H ATOM 317 HG LEU A 19 0.834 0.496 2.615 1.00 0.15 H ATOM 318 HD11 LEU A 19 2.394 -1.096 0.585 1.00 0.93 H ATOM 319 HD12 LEU A 19 0.780 -0.424 0.351 1.00 0.92 H ATOM 320 HD13 LEU A 19 1.044 -1.683 1.556 1.00 0.94 H ATOM 321 HD21 LEU A 19 2.240 -1.098 3.720 1.00 0.94 H ATOM 322 HD22 LEU A 19 2.991 0.491 3.863 1.00 1.07 H ATOM 323 HD23 LEU A 19 3.608 -0.677 2.695 1.00 1.03 H ATOM 324 N GLN A 20 -0.089 3.368 1.891 1.00 0.15 N ATOM 325 CA GLN A 20 -1.380 3.721 2.470 1.00 0.19 C ATOM 326 C GLN A 20 -2.362 4.084 1.364 1.00 0.15 C ATOM 327 O GLN A 20 -3.502 3.607 1.334 1.00 0.16 O ATOM 328 CB GLN A 20 -1.218 4.898 3.433 1.00 0.27 C ATOM 329 CG GLN A 20 -2.514 5.345 4.091 1.00 1.15 C ATOM 330 CD GLN A 20 -2.319 6.545 4.994 1.00 1.67 C ATOM 331 OE1 GLN A 20 -1.450 7.386 4.758 1.00 2.11 O ATOM 332 NE2 GLN A 20 -3.129 6.635 6.034 1.00 2.50 N ATOM 333 H GLN A 20 0.709 3.880 2.153 1.00 0.17 H ATOM 334 HA GLN A 20 -1.752 2.864 3.009 1.00 0.23 H ATOM 335 HB2 GLN A 20 -0.527 4.613 4.211 1.00 0.82 H ATOM 336 HB3 GLN A 20 -0.807 5.736 2.891 1.00 0.82 H ATOM 337 HG2 GLN A 20 -3.224 5.606 3.320 1.00 1.84 H ATOM 338 HG3 GLN A 20 -2.906 4.529 4.679 1.00 1.71 H ATOM 339 HE21 GLN A 20 -3.802 5.934 6.160 1.00 2.87 H ATOM 340 HE22 GLN A 20 -3.018 7.398 6.643 1.00 3.01 H ATOM 341 N ARG A 21 -1.888 4.920 0.450 1.00 0.15 N ATOM 342 CA ARG A 21 -2.650 5.310 -0.725 1.00 0.19 C ATOM 343 C ARG A 21 -3.149 4.077 -1.463 1.00 0.14 C ATOM 344 O ARG A 21 -4.335 3.958 -1.765 1.00 0.16 O ATOM 345 CB ARG A 21 -1.765 6.151 -1.641 1.00 0.28 C ATOM 346 CG ARG A 21 -2.463 6.716 -2.860 1.00 0.90 C ATOM 347 CD ARG A 21 -1.484 7.522 -3.690 1.00 0.92 C ATOM 348 NE ARG A 21 -2.112 8.162 -4.836 1.00 1.52 N ATOM 349 CZ ARG A 21 -1.443 8.895 -5.720 1.00 1.91 C ATOM 350 NH1 ARG A 21 -0.125 9.039 -5.602 1.00 1.87 N1+ ATOM 351 NH2 ARG A 21 -2.085 9.476 -6.725 1.00 2.78 N ATOM 352 H ARG A 21 -0.991 5.300 0.578 1.00 0.17 H ATOM 353 HA ARG A 21 -3.493 5.900 -0.403 1.00 0.24 H ATOM 354 HB2 ARG A 21 -1.366 6.975 -1.072 1.00 0.71 H ATOM 355 HB3 ARG A 21 -0.945 5.537 -1.982 1.00 0.85 H ATOM 356 HG2 ARG A 21 -2.851 5.903 -3.457 1.00 1.39 H ATOM 357 HG3 ARG A 21 -3.273 7.358 -2.545 1.00 1.31 H ATOM 358 HD2 ARG A 21 -1.044 8.284 -3.063 1.00 1.26 H ATOM 359 HD3 ARG A 21 -0.707 6.861 -4.041 1.00 1.23 H ATOM 360 HE ARG A 21 -3.083 8.046 -4.946 1.00 2.02 H ATOM 361 HH11 ARG A 21 0.372 8.592 -4.844 1.00 1.76 H ATOM 362 HH12 ARG A 21 0.382 9.592 -6.266 1.00 2.33 H ATOM 363 HH21 ARG A 21 -3.077 9.365 -6.823 1.00 3.23 H ATOM 364 HH22 ARG A 21 -1.580 10.031 -7.392 1.00 3.13 H ATOM 365 N HIS A 22 -2.238 3.146 -1.722 1.00 0.11 N ATOM 366 CA HIS A 22 -2.587 1.905 -2.384 1.00 0.09 C ATOM 367 C HIS A 22 -3.620 1.128 -1.576 1.00 0.11 C ATOM 368 O HIS A 22 -4.582 0.612 -2.132 1.00 0.15 O ATOM 369 CB HIS A 22 -1.340 1.043 -2.617 1.00 0.11 C ATOM 370 CG HIS A 22 -1.672 -0.385 -2.916 1.00 0.11 C ATOM 371 ND1 HIS A 22 -2.071 -0.853 -4.163 1.00 0.18 N ATOM 372 CD2 HIS A 22 -1.776 -1.436 -2.066 1.00 0.11 C ATOM 373 CE1 HIS A 22 -2.420 -2.143 -4.019 1.00 0.21 C ATOM 374 NE2 HIS A 22 -2.252 -2.509 -2.777 1.00 0.15 N ATOM 375 H HIS A 22 -1.304 3.300 -1.455 1.00 0.13 H ATOM 376 HA HIS A 22 -3.018 2.156 -3.339 1.00 0.11 H ATOM 377 HB2 HIS A 22 -0.783 1.441 -3.451 1.00 0.14 H ATOM 378 HB3 HIS A 22 -0.722 1.065 -1.730 1.00 0.12 H ATOM 379 HD1 HIS A 22 -2.106 -0.331 -4.998 1.00 0.24 H ATOM 380 HD2 HIS A 22 -1.517 -1.443 -1.017 1.00 0.14 H ATOM 381 HE1 HIS A 22 -2.792 -2.777 -4.809 1.00 0.28 H ATOM 382 N LYS A 23 -3.419 1.050 -0.268 1.00 0.13 N ATOM 383 CA LYS A 23 -4.326 0.305 0.594 1.00 0.18 C ATOM 384 C LYS A 23 -5.732 0.882 0.542 1.00 0.17 C ATOM 385 O LYS A 23 -6.708 0.189 0.837 1.00 0.21 O ATOM 386 CB LYS A 23 -3.821 0.275 2.036 1.00 0.26 C ATOM 387 CG LYS A 23 -2.596 -0.605 2.235 1.00 0.57 C ATOM 388 CD LYS A 23 -2.274 -0.778 3.706 1.00 0.99 C ATOM 389 CE LYS A 23 -1.083 -1.700 3.907 1.00 1.50 C ATOM 390 NZ LYS A 23 -0.777 -1.913 5.346 1.00 1.93 N1+ ATOM 391 H LYS A 23 -2.640 1.500 0.127 1.00 0.13 H ATOM 392 HA LYS A 23 -4.362 -0.705 0.223 1.00 0.24 H ATOM 393 HB2 LYS A 23 -3.569 1.280 2.334 1.00 0.56 H ATOM 394 HB3 LYS A 23 -4.612 -0.094 2.672 1.00 0.66 H ATOM 395 HG2 LYS A 23 -2.786 -1.575 1.803 1.00 1.21 H ATOM 396 HG3 LYS A 23 -1.751 -0.147 1.741 1.00 1.27 H ATOM 397 HD2 LYS A 23 -2.048 0.188 4.130 1.00 1.75 H ATOM 398 HD3 LYS A 23 -3.134 -1.201 4.203 1.00 1.44 H ATOM 399 HE2 LYS A 23 -1.303 -2.654 3.451 1.00 1.79 H ATOM 400 HE3 LYS A 23 -0.222 -1.263 3.426 1.00 2.05 H ATOM 401 HZ1 LYS A 23 -0.636 -1.001 5.823 1.00 2.29 H ATOM 402 HZ2 LYS A 23 0.089 -2.479 5.449 1.00 2.36 H ATOM 403 HZ3 LYS A 23 -1.559 -2.417 5.811 1.00 2.11 H ATOM 404 N ARG A 24 -5.840 2.141 0.129 1.00 0.17 N ATOM 405 CA ARG A 24 -7.142 2.774 -0.031 1.00 0.23 C ATOM 406 C ARG A 24 -7.928 2.144 -1.186 1.00 0.22 C ATOM 407 O ARG A 24 -9.078 2.507 -1.428 1.00 0.33 O ATOM 408 CB ARG A 24 -7.001 4.280 -0.255 1.00 0.34 C ATOM 409 CG ARG A 24 -6.364 5.016 0.910 1.00 0.92 C ATOM 410 CD ARG A 24 -6.432 6.522 0.714 1.00 0.92 C ATOM 411 NE ARG A 24 -7.809 7.011 0.765 1.00 1.57 N ATOM 412 CZ ARG A 24 -8.191 8.213 0.340 1.00 1.89 C ATOM 413 NH1 ARG A 24 -7.313 9.033 -0.226 1.00 1.57 N1+ ATOM 414 NH2 ARG A 24 -9.456 8.590 0.472 1.00 2.84 N ATOM 415 H ARG A 24 -5.021 2.660 -0.067 1.00 0.18 H ATOM 416 HA ARG A 24 -7.692 2.613 0.884 1.00 0.28 H ATOM 417 HB2 ARG A 24 -6.389 4.444 -1.129 1.00 0.81 H ATOM 418 HB3 ARG A 24 -7.979 4.701 -0.427 1.00 0.82 H ATOM 419 HG2 ARG A 24 -6.889 4.757 1.818 1.00 1.39 H ATOM 420 HG3 ARG A 24 -5.330 4.718 0.992 1.00 1.39 H ATOM 421 HD2 ARG A 24 -5.858 7.003 1.493 1.00 1.14 H ATOM 422 HD3 ARG A 24 -6.010 6.766 -0.249 1.00 1.40 H ATOM 423 HE ARG A 24 -8.483 6.409 1.154 1.00 2.11 H ATOM 424 HH11 ARG A 24 -7.602 9.941 -0.545 1.00 1.94 H ATOM 425 HH12 ARG A 24 -6.357 8.750 -0.340 1.00 1.49 H ATOM 426 HH21 ARG A 24 -9.747 9.494 0.153 1.00 3.18 H ATOM 427 HH22 ARG A 24 -10.126 7.974 0.894 1.00 3.39 H ATOM 428 N THR A 25 -7.308 1.216 -1.909 1.00 0.21 N ATOM 429 CA THR A 25 -8.018 0.456 -2.927 1.00 0.27 C ATOM 430 C THR A 25 -8.682 -0.762 -2.295 1.00 0.26 C ATOM 431 O THR A 25 -9.717 -1.242 -2.766 1.00 0.34 O ATOM 432 CB THR A 25 -7.089 -0.003 -4.072 1.00 0.37 C ATOM 433 OG1 THR A 25 -6.096 -0.912 -3.578 1.00 1.28 O ATOM 434 CG2 THR A 25 -6.405 1.185 -4.730 1.00 1.04 C ATOM 435 H THR A 25 -6.352 1.047 -1.762 1.00 0.23 H ATOM 436 HA THR A 25 -8.784 1.096 -3.341 1.00 0.29 H ATOM 437 HB THR A 25 -7.687 -0.509 -4.815 1.00 0.93 H ATOM 438 HG1 THR A 25 -5.371 -0.408 -3.175 1.00 1.45 H ATOM 439 HG21 THR A 25 -5.762 0.836 -5.525 1.00 1.50 H ATOM 440 HG22 THR A 25 -5.815 1.712 -3.995 1.00 1.73 H ATOM 441 HG23 THR A 25 -7.151 1.852 -5.136 1.00 1.63 H ATOM 442 N HIS A 26 -8.081 -1.255 -1.215 1.00 0.22 N ATOM 443 CA HIS A 26 -8.643 -2.371 -0.473 1.00 0.25 C ATOM 444 C HIS A 26 -9.721 -1.855 0.466 1.00 0.32 C ATOM 445 O HIS A 26 -10.819 -2.404 0.535 1.00 0.40 O ATOM 446 CB HIS A 26 -7.563 -3.110 0.328 1.00 0.27 C ATOM 447 CG HIS A 26 -6.487 -3.745 -0.503 1.00 0.23 C ATOM 448 ND1 HIS A 26 -6.682 -4.844 -1.332 1.00 0.26 N ATOM 449 CD2 HIS A 26 -5.170 -3.424 -0.611 1.00 0.20 C ATOM 450 CE1 HIS A 26 -5.500 -5.148 -1.902 1.00 0.26 C ATOM 451 NE2 HIS A 26 -4.584 -4.312 -1.487 1.00 0.21 N ATOM 452 H HIS A 26 -7.244 -0.847 -0.904 1.00 0.22 H ATOM 453 HA HIS A 26 -9.091 -3.050 -1.181 1.00 0.30 H ATOM 454 HB2 HIS A 26 -7.085 -2.411 0.999 1.00 0.30 H ATOM 455 HB3 HIS A 26 -8.032 -3.890 0.911 1.00 0.34 H ATOM 456 HD1 HIS A 26 -7.529 -5.321 -1.469 1.00 0.30 H ATOM 457 HD2 HIS A 26 -4.659 -2.633 -0.090 1.00 0.20 H ATOM 458 HE1 HIS A 26 -5.331 -5.962 -2.589 1.00 0.32 H ATOM 459 N THR A 27 -9.397 -0.788 1.180 1.00 0.46 N ATOM 460 CA THR A 27 -10.346 -0.136 2.061 1.00 0.61 C ATOM 461 C THR A 27 -10.802 1.180 1.435 1.00 1.09 C ATOM 462 O THR A 27 -10.495 2.272 1.923 1.00 1.74 O ATOM 463 CB THR A 27 -9.724 0.123 3.448 1.00 1.38 C ATOM 464 OG1 THR A 27 -9.017 -1.047 3.886 1.00 2.22 O ATOM 465 CG2 THR A 27 -10.797 0.472 4.468 1.00 2.01 C ATOM 466 H THR A 27 -8.487 -0.424 1.111 1.00 0.53 H ATOM 467 HA THR A 27 -11.200 -0.788 2.181 1.00 1.04 H ATOM 468 HB THR A 27 -9.033 0.950 3.370 1.00 1.93 H ATOM 469 HG1 THR A 27 -9.522 -1.835 3.646 1.00 2.59 H ATOM 470 HG21 THR A 27 -10.334 0.659 5.426 1.00 2.64 H ATOM 471 HG22 THR A 27 -11.490 -0.351 4.558 1.00 2.34 H ATOM 472 HG23 THR A 27 -11.327 1.357 4.146 1.00 2.33 H ATOM 473 N GLY A 28 -11.516 1.063 0.329 1.00 1.76 N ATOM 474 CA GLY A 28 -11.972 2.229 -0.391 1.00 2.63 C ATOM 475 C GLY A 28 -13.288 2.753 0.136 1.00 2.96 C ATOM 476 O GLY A 28 -14.019 2.037 0.825 1.00 3.50 O ATOM 477 H GLY A 28 -11.745 0.168 0.002 1.00 2.05 H ATOM 478 HA2 GLY A 28 -11.226 3.003 -0.304 1.00 3.01 H ATOM 479 HA3 GLY A 28 -12.091 1.972 -1.434 1.00 3.11 H ATOM 480 N GLU A 29 -13.590 4.001 -0.187 1.00 3.27 N ATOM 481 CA GLU A 29 -14.830 4.623 0.242 1.00 3.97 C ATOM 482 C GLU A 29 -15.930 4.318 -0.771 1.00 4.68 C ATOM 483 O GLU A 29 -16.253 5.143 -1.626 1.00 5.51 O ATOM 484 CB GLU A 29 -14.640 6.137 0.387 1.00 4.55 C ATOM 485 CG GLU A 29 -15.823 6.848 1.021 1.00 5.26 C ATOM 486 CD GLU A 29 -15.649 8.351 1.041 1.00 6.09 C ATOM 487 OE1 GLU A 29 -14.925 8.859 1.922 1.00 6.58 O ATOM 488 OE2 GLU A 29 -16.229 9.033 0.170 1.00 6.49 O1- ATOM 489 H GLU A 29 -12.962 4.518 -0.736 1.00 3.40 H ATOM 490 HA GLU A 29 -15.104 4.202 1.197 1.00 4.05 H ATOM 491 HB2 GLU A 29 -13.766 6.324 0.997 1.00 4.68 H ATOM 492 HB3 GLU A 29 -14.479 6.562 -0.592 1.00 4.82 H ATOM 493 HG2 GLU A 29 -16.712 6.612 0.456 1.00 5.48 H ATOM 494 HG3 GLU A 29 -15.939 6.499 2.037 1.00 5.34 H ATOM 495 N LYS A 30 -16.481 3.117 -0.689 1.00 4.75 N ATOM 496 CA LYS A 30 -17.515 2.690 -1.613 1.00 5.79 C ATOM 497 C LYS A 30 -18.674 2.064 -0.848 1.00 6.33 C ATOM 498 O LYS A 30 -18.639 0.890 -0.483 1.00 7.00 O ATOM 499 CB LYS A 30 -16.941 1.697 -2.628 1.00 6.19 C ATOM 500 CG LYS A 30 -17.903 1.351 -3.751 1.00 6.60 C ATOM 501 CD LYS A 30 -17.267 0.412 -4.763 1.00 7.40 C ATOM 502 CE LYS A 30 -18.206 0.121 -5.923 1.00 8.28 C ATOM 503 NZ LYS A 30 -18.580 1.356 -6.660 1.00 8.46 N1+ ATOM 504 H LYS A 30 -16.184 2.499 0.014 1.00 4.36 H ATOM 505 HA LYS A 30 -17.874 3.564 -2.137 1.00 6.29 H ATOM 506 HB2 LYS A 30 -16.049 2.122 -3.066 1.00 5.94 H ATOM 507 HB3 LYS A 30 -16.678 0.785 -2.113 1.00 6.82 H ATOM 508 HG2 LYS A 30 -18.776 0.874 -3.331 1.00 6.55 H ATOM 509 HG3 LYS A 30 -18.194 2.262 -4.252 1.00 6.72 H ATOM 510 HD2 LYS A 30 -16.369 0.867 -5.148 1.00 7.64 H ATOM 511 HD3 LYS A 30 -17.022 -0.517 -4.271 1.00 7.39 H ATOM 512 HE2 LYS A 30 -17.716 -0.559 -6.603 1.00 8.70 H ATOM 513 HE3 LYS A 30 -19.102 -0.342 -5.536 1.00 8.65 H ATOM 514 HZ1 LYS A 30 -19.198 1.120 -7.461 1.00 8.39 H ATOM 515 HZ2 LYS A 30 -17.728 1.831 -7.022 1.00 8.58 H ATOM 516 HZ3 LYS A 30 -19.083 2.012 -6.031 1.00 8.79 H HETATM 517 N NH2 A 31 -19.693 2.859 -0.589 1.00 6.36 N HETATM 518 HN1 NH2 A 31 -19.650 3.785 -0.912 1.00 6.02 H HETATM 519 HN2 NH2 A 31 -20.451 2.496 -0.087 1.00 6.91 H TER 520 NH2 A 31 HETATM 521 ZN ZN A 101 -2.660 -4.301 -2.018 1.00 0.19 ZN