ATOM 1 N ARG A 1 -14.063 2.181 -2.838 1.00 1.49 N ATOM 2 CA ARG A 1 -13.090 1.246 -3.444 1.00 1.23 C ATOM 3 C ARG A 1 -12.165 0.675 -2.380 1.00 0.92 C ATOM 4 O ARG A 1 -11.398 1.412 -1.765 1.00 0.87 O ATOM 5 CB ARG A 1 -12.248 1.956 -4.504 1.00 1.39 C ATOM 6 CG ARG A 1 -13.037 2.411 -5.717 1.00 1.72 C ATOM 7 CD ARG A 1 -12.171 3.218 -6.668 1.00 2.08 C ATOM 8 NE ARG A 1 -11.016 2.456 -7.147 1.00 2.72 N ATOM 9 CZ ARG A 1 -9.927 3.015 -7.677 1.00 3.37 C ATOM 10 NH1 ARG A 1 -9.826 4.337 -7.757 1.00 3.46 N1+ ATOM 11 NH2 ARG A 1 -8.930 2.252 -8.107 1.00 4.31 N ATOM 12 H1 ARG A 1 -13.564 2.975 -2.391 1.00 1.99 H ATOM 13 H2 ARG A 1 -14.626 1.691 -2.114 1.00 1.49 H ATOM 14 H3 ARG A 1 -14.706 2.556 -3.562 1.00 1.87 H ATOM 15 HA ARG A 1 -13.635 0.440 -3.909 1.00 1.29 H ATOM 16 HB2 ARG A 1 -11.785 2.823 -4.056 1.00 1.85 H ATOM 17 HB3 ARG A 1 -11.474 1.280 -4.839 1.00 1.75 H ATOM 18 HG2 ARG A 1 -13.414 1.543 -6.237 1.00 2.24 H ATOM 19 HG3 ARG A 1 -13.863 3.025 -5.389 1.00 2.16 H ATOM 20 HD2 ARG A 1 -12.769 3.516 -7.516 1.00 2.13 H ATOM 21 HD3 ARG A 1 -11.820 4.097 -6.152 1.00 2.66 H ATOM 22 HE ARG A 1 -11.061 1.475 -7.075 1.00 3.08 H ATOM 23 HH11 ARG A 1 -9.009 4.759 -8.155 1.00 4.09 H ATOM 24 HH12 ARG A 1 -10.562 4.923 -7.404 1.00 3.21 H ATOM 25 HH21 ARG A 1 -8.109 2.670 -8.507 1.00 4.86 H ATOM 26 HH22 ARG A 1 -8.989 1.252 -8.031 1.00 4.66 H ATOM 27 N PRO A 2 -12.233 -0.639 -2.129 1.00 0.80 N ATOM 28 CA PRO A 2 -11.293 -1.314 -1.242 1.00 0.58 C ATOM 29 C PRO A 2 -9.939 -1.504 -1.918 1.00 0.50 C ATOM 30 O PRO A 2 -9.832 -2.188 -2.938 1.00 0.76 O ATOM 31 CB PRO A 2 -11.944 -2.677 -0.967 1.00 0.73 C ATOM 32 CG PRO A 2 -13.303 -2.616 -1.586 1.00 1.00 C ATOM 33 CD PRO A 2 -13.230 -1.573 -2.664 1.00 1.00 C ATOM 34 HA PRO A 2 -11.161 -0.773 -0.316 1.00 0.51 H ATOM 35 HB2 PRO A 2 -11.345 -3.453 -1.414 1.00 0.85 H ATOM 36 HB3 PRO A 2 -12.006 -2.836 0.099 1.00 0.80 H ATOM 37 HG2 PRO A 2 -13.554 -3.577 -2.012 1.00 1.32 H ATOM 38 HG3 PRO A 2 -14.034 -2.334 -0.842 1.00 1.20 H ATOM 39 HD2 PRO A 2 -12.894 -2.009 -3.593 1.00 1.18 H ATOM 40 HD3 PRO A 2 -14.186 -1.090 -2.788 1.00 1.09 H ATOM 41 N PHE A 3 -8.916 -0.887 -1.362 1.00 0.23 N ATOM 42 CA PHE A 3 -7.575 -0.979 -1.914 1.00 0.22 C ATOM 43 C PHE A 3 -6.802 -2.089 -1.223 1.00 0.33 C ATOM 44 O PHE A 3 -6.933 -2.285 -0.017 1.00 0.73 O ATOM 45 CB PHE A 3 -6.848 0.359 -1.762 1.00 0.20 C ATOM 46 CG PHE A 3 -7.492 1.463 -2.545 1.00 0.20 C ATOM 47 CD1 PHE A 3 -7.244 1.598 -3.900 1.00 0.30 C ATOM 48 CD2 PHE A 3 -8.356 2.355 -1.932 1.00 0.21 C ATOM 49 CE1 PHE A 3 -7.845 2.603 -4.631 1.00 0.41 C ATOM 50 CE2 PHE A 3 -8.960 3.363 -2.657 1.00 0.33 C ATOM 51 CZ PHE A 3 -8.705 3.487 -4.009 1.00 0.43 C ATOM 52 H PHE A 3 -9.060 -0.361 -0.543 1.00 0.23 H ATOM 53 HA PHE A 3 -7.660 -1.215 -2.964 1.00 0.22 H ATOM 54 HB2 PHE A 3 -6.844 0.647 -0.722 1.00 0.22 H ATOM 55 HB3 PHE A 3 -5.833 0.253 -2.105 1.00 0.30 H ATOM 56 HD1 PHE A 3 -6.573 0.907 -4.386 1.00 0.34 H ATOM 57 HD2 PHE A 3 -8.555 2.260 -0.875 1.00 0.19 H ATOM 58 HE1 PHE A 3 -7.642 2.699 -5.687 1.00 0.51 H ATOM 59 HE2 PHE A 3 -9.630 4.051 -2.167 1.00 0.39 H ATOM 60 HZ PHE A 3 -9.178 4.273 -4.579 1.00 0.54 H HETATM 61 N NLE A 4 -6.015 -2.824 -1.985 1.00 0.09 N HETATM 62 CA NLE A 4 -5.257 -3.933 -1.433 1.00 0.10 C HETATM 63 C NLE A 4 -3.844 -3.945 -1.985 1.00 0.11 C HETATM 64 O NLE A 4 -3.637 -3.957 -3.198 1.00 0.17 O HETATM 65 CB NLE A 4 -5.945 -5.259 -1.752 1.00 0.16 C HETATM 66 CG NLE A 4 -5.199 -6.479 -1.229 1.00 0.22 C HETATM 67 CD NLE A 4 -5.828 -7.769 -1.722 1.00 0.36 C HETATM 68 CE NLE A 4 -5.021 -8.957 -1.246 1.00 0.47 C HETATM 69 H NLE A 4 -5.937 -2.618 -2.941 1.00 0.33 H HETATM 70 HA NLE A 4 -5.215 -3.806 -0.361 1.00 0.11 H HETATM 71 HB2 NLE A 4 -6.034 -5.352 -2.822 1.00 0.16 H HETATM 72 HB3 NLE A 4 -6.934 -5.254 -1.317 1.00 0.18 H HETATM 73 HG2 NLE A 4 -5.224 -6.468 -0.149 1.00 0.24 H HETATM 74 HG3 NLE A 4 -4.175 -6.435 -1.569 1.00 0.21 H HETATM 75 HD2 NLE A 4 -5.846 -7.773 -2.802 1.00 0.37 H HETATM 76 HD3 NLE A 4 -6.832 -7.853 -1.334 1.00 0.39 H HETATM 77 HE1 NLE A 4 -4.996 -8.964 -0.166 1.00 0.99 H HETATM 78 HE2 NLE A 4 -4.013 -8.886 -1.629 1.00 1.13 H HETATM 79 HE3 NLE A 4 -5.477 -9.869 -1.601 1.00 1.17 H ATOM 80 N CYS A 5 -2.875 -3.938 -1.091 1.00 0.10 N ATOM 81 CA CYS A 5 -1.487 -4.055 -1.485 1.00 0.12 C ATOM 82 C CYS A 5 -1.178 -5.489 -1.885 1.00 0.17 C ATOM 83 O CYS A 5 -0.993 -6.358 -1.030 1.00 0.19 O ATOM 84 CB CYS A 5 -0.564 -3.618 -0.356 1.00 0.12 C ATOM 85 SG CYS A 5 1.181 -3.930 -0.687 1.00 0.17 S ATOM 86 H CYS A 5 -3.104 -3.856 -0.138 1.00 0.12 H ATOM 87 HA CYS A 5 -1.329 -3.414 -2.337 1.00 0.16 H ATOM 88 HB2 CYS A 5 -0.683 -2.558 -0.190 1.00 0.16 H ATOM 89 HB3 CYS A 5 -0.829 -4.150 0.542 1.00 0.16 H ATOM 90 N THR A 6 -1.120 -5.730 -3.183 1.00 0.27 N ATOM 91 CA THR A 6 -0.862 -7.061 -3.697 1.00 0.35 C ATOM 92 C THR A 6 0.645 -7.298 -3.833 1.00 0.37 C ATOM 93 O THR A 6 1.140 -7.713 -4.882 1.00 0.47 O ATOM 94 CB THR A 6 -1.568 -7.261 -5.052 1.00 0.47 C ATOM 95 OG1 THR A 6 -2.874 -6.660 -5.002 1.00 0.91 O ATOM 96 CG2 THR A 6 -1.713 -8.741 -5.382 1.00 1.03 C ATOM 97 H THR A 6 -1.248 -4.990 -3.816 1.00 0.34 H ATOM 98 HA THR A 6 -1.267 -7.776 -2.992 1.00 0.38 H ATOM 99 HB THR A 6 -0.984 -6.784 -5.827 1.00 0.95 H ATOM 100 HG1 THR A 6 -3.137 -6.552 -4.080 1.00 1.67 H ATOM 101 HG21 THR A 6 -0.735 -9.194 -5.440 1.00 1.85 H ATOM 102 HG22 THR A 6 -2.217 -8.849 -6.329 1.00 1.24 H ATOM 103 HG23 THR A 6 -2.289 -9.227 -4.609 1.00 1.51 H ATOM 104 N TRP A 7 1.372 -6.995 -2.766 1.00 0.31 N ATOM 105 CA TRP A 7 2.795 -7.270 -2.707 1.00 0.37 C ATOM 106 C TRP A 7 2.995 -8.686 -2.197 1.00 0.40 C ATOM 107 O TRP A 7 2.193 -9.167 -1.396 1.00 0.54 O ATOM 108 CB TRP A 7 3.494 -6.272 -1.780 1.00 0.39 C ATOM 109 CG TRP A 7 4.990 -6.340 -1.831 1.00 0.49 C ATOM 110 CD1 TRP A 7 5.796 -7.193 -1.136 1.00 0.60 C ATOM 111 CD2 TRP A 7 5.860 -5.504 -2.600 1.00 0.51 C ATOM 112 NE1 TRP A 7 7.112 -6.950 -1.439 1.00 0.66 N ATOM 113 CE2 TRP A 7 7.178 -5.914 -2.332 1.00 0.61 C ATOM 114 CE3 TRP A 7 5.651 -4.450 -3.491 1.00 0.51 C ATOM 115 CZ2 TRP A 7 8.282 -5.307 -2.925 1.00 0.68 C ATOM 116 CZ3 TRP A 7 6.747 -3.846 -4.078 1.00 0.61 C ATOM 117 CH2 TRP A 7 8.049 -4.276 -3.794 1.00 0.67 C ATOM 118 H TRP A 7 0.935 -6.586 -1.992 1.00 0.30 H ATOM 119 HA TRP A 7 3.202 -7.185 -3.703 1.00 0.41 H ATOM 120 HB2 TRP A 7 3.200 -5.271 -2.051 1.00 0.39 H ATOM 121 HB3 TRP A 7 3.189 -6.467 -0.765 1.00 0.37 H ATOM 122 HD1 TRP A 7 5.434 -7.950 -0.458 1.00 0.65 H ATOM 123 HE1 TRP A 7 7.881 -7.437 -1.072 1.00 0.75 H ATOM 124 HE3 TRP A 7 4.655 -4.107 -3.723 1.00 0.47 H ATOM 125 HZ2 TRP A 7 9.292 -5.626 -2.716 1.00 0.76 H ATOM 126 HZ3 TRP A 7 6.605 -3.028 -4.768 1.00 0.66 H ATOM 127 HH2 TRP A 7 8.874 -3.772 -4.275 1.00 0.75 H HETATM 128 N AIB A 8 4.050 -9.339 -2.669 1.00 0.61 N HETATM 129 CA AIB A 8 4.362 -10.722 -2.291 1.00 0.65 C HETATM 130 C AIB A 8 4.454 -10.854 -0.760 1.00 0.65 C HETATM 131 O AIB A 8 5.482 -10.538 -0.160 1.00 0.76 O HETATM 132 CB1 AIB A 8 5.685 -11.127 -2.910 1.00 0.73 C HETATM 133 CB2 AIB A 8 3.305 -11.656 -2.847 1.00 0.78 C HETATM 134 H AIB A 8 4.641 -8.876 -3.301 1.00 0.87 H HETATM 135 HB11 AIB A 8 6.472 -10.499 -2.520 1.00 1.23 H HETATM 136 HB12 AIB A 8 5.631 -11.014 -3.983 1.00 1.43 H HETATM 137 HB13 AIB A 8 5.894 -12.158 -2.667 1.00 1.05 H HETATM 138 HB21 AIB A 8 3.342 -11.641 -3.925 1.00 1.15 H HETATM 139 HB22 AIB A 8 2.330 -11.332 -2.516 1.00 1.41 H HETATM 140 HB23 AIB A 8 3.490 -12.659 -2.494 1.00 1.29 H ATOM 141 N GLY A 9 3.370 -11.305 -0.138 1.00 0.71 N ATOM 142 CA GLY A 9 3.377 -11.551 1.286 1.00 0.81 C ATOM 143 C GLY A 9 2.981 -10.336 2.095 1.00 0.65 C ATOM 144 O GLY A 9 3.557 -10.070 3.151 1.00 0.80 O ATOM 145 H GLY A 9 2.553 -11.458 -0.653 1.00 0.78 H ATOM 146 HA2 GLY A 9 2.687 -12.351 1.503 1.00 0.97 H ATOM 147 HA3 GLY A 9 4.367 -11.857 1.581 1.00 0.92 H ATOM 148 N CYS A 10 2.004 -9.590 1.604 1.00 0.45 N ATOM 149 CA CYS A 10 1.514 -8.433 2.325 1.00 0.31 C ATOM 150 C CYS A 10 -0.011 -8.479 2.432 1.00 0.19 C ATOM 151 O CYS A 10 -0.551 -8.916 3.449 1.00 0.27 O ATOM 152 CB CYS A 10 1.985 -7.159 1.630 1.00 0.28 C ATOM 153 SG CYS A 10 1.742 -5.652 2.592 1.00 0.24 S ATOM 154 H CYS A 10 1.613 -9.815 0.732 1.00 0.46 H ATOM 155 HA CYS A 10 1.932 -8.463 3.317 1.00 0.39 H ATOM 156 HB2 CYS A 10 3.039 -7.246 1.421 1.00 0.39 H ATOM 157 HB3 CYS A 10 1.450 -7.047 0.702 1.00 0.28 H ATOM 158 N GLY A 11 -0.705 -8.053 1.381 1.00 0.15 N ATOM 159 CA GLY A 11 -2.153 -8.114 1.373 1.00 0.16 C ATOM 160 C GLY A 11 -2.804 -7.200 2.397 1.00 0.15 C ATOM 161 O GLY A 11 -3.790 -7.575 3.030 1.00 0.28 O ATOM 162 H GLY A 11 -0.231 -7.704 0.597 1.00 0.22 H ATOM 163 HA2 GLY A 11 -2.503 -7.835 0.392 1.00 0.25 H ATOM 164 HA3 GLY A 11 -2.455 -9.130 1.572 1.00 0.22 H ATOM 165 N LYS A 12 -2.254 -6.007 2.571 1.00 0.11 N ATOM 166 CA LYS A 12 -2.857 -5.022 3.459 1.00 0.15 C ATOM 167 C LYS A 12 -3.958 -4.267 2.726 1.00 0.12 C ATOM 168 O LYS A 12 -3.818 -3.951 1.543 1.00 0.17 O ATOM 169 CB LYS A 12 -1.807 -4.042 3.994 1.00 0.24 C ATOM 170 CG LYS A 12 -0.770 -4.680 4.904 1.00 0.75 C ATOM 171 CD LYS A 12 -1.405 -5.287 6.146 1.00 1.23 C ATOM 172 CE LYS A 12 -0.355 -5.804 7.120 1.00 1.80 C ATOM 173 NZ LYS A 12 0.541 -4.721 7.602 1.00 2.23 N1+ ATOM 174 H LYS A 12 -1.430 -5.786 2.097 1.00 0.15 H ATOM 175 HA LYS A 12 -3.298 -5.552 4.288 1.00 0.21 H ATOM 176 HB2 LYS A 12 -1.288 -3.596 3.159 1.00 0.68 H ATOM 177 HB3 LYS A 12 -2.309 -3.263 4.550 1.00 0.68 H ATOM 178 HG2 LYS A 12 -0.255 -5.456 4.360 1.00 1.34 H ATOM 179 HG3 LYS A 12 -0.064 -3.922 5.208 1.00 1.16 H ATOM 180 HD2 LYS A 12 -1.999 -4.534 6.641 1.00 1.41 H ATOM 181 HD3 LYS A 12 -2.038 -6.110 5.848 1.00 1.66 H ATOM 182 HE2 LYS A 12 -0.855 -6.247 7.968 1.00 2.19 H ATOM 183 HE3 LYS A 12 0.240 -6.555 6.621 1.00 2.31 H ATOM 184 HZ1 LYS A 12 1.180 -5.086 8.337 1.00 2.62 H ATOM 185 HZ2 LYS A 12 -0.019 -3.941 8.002 1.00 2.55 H ATOM 186 HZ3 LYS A 12 1.113 -4.352 6.818 1.00 2.63 H ATOM 187 N ARG A 13 -5.049 -3.986 3.424 1.00 0.13 N ATOM 188 CA ARG A 13 -6.205 -3.349 2.807 1.00 0.13 C ATOM 189 C ARG A 13 -6.370 -1.917 3.302 1.00 0.12 C ATOM 190 O ARG A 13 -6.214 -1.639 4.493 1.00 0.16 O ATOM 191 CB ARG A 13 -7.472 -4.153 3.102 1.00 0.18 C ATOM 192 CG ARG A 13 -7.428 -5.581 2.584 1.00 0.84 C ATOM 193 CD ARG A 13 -8.685 -6.341 2.968 1.00 0.77 C ATOM 194 NE ARG A 13 -8.614 -7.759 2.616 1.00 1.57 N ATOM 195 CZ ARG A 13 -9.184 -8.730 3.331 1.00 2.12 C ATOM 196 NH1 ARG A 13 -9.871 -8.437 4.431 1.00 1.97 N1+ ATOM 197 NH2 ARG A 13 -9.068 -9.994 2.945 1.00 3.21 N ATOM 198 H ARG A 13 -5.074 -4.201 4.381 1.00 0.18 H ATOM 199 HA ARG A 13 -6.041 -3.332 1.739 1.00 0.13 H ATOM 200 HB2 ARG A 13 -7.622 -4.185 4.172 1.00 0.71 H ATOM 201 HB3 ARG A 13 -8.315 -3.654 2.645 1.00 0.73 H ATOM 202 HG2 ARG A 13 -7.341 -5.562 1.508 1.00 1.32 H ATOM 203 HG3 ARG A 13 -6.570 -6.082 3.010 1.00 1.33 H ATOM 204 HD2 ARG A 13 -8.827 -6.255 4.035 1.00 0.97 H ATOM 205 HD3 ARG A 13 -9.527 -5.895 2.458 1.00 1.41 H ATOM 206 HE ARG A 13 -8.109 -8.002 1.804 1.00 2.13 H ATOM 207 HH11 ARG A 13 -10.299 -9.169 4.967 1.00 2.51 H ATOM 208 HH12 ARG A 13 -9.965 -7.485 4.729 1.00 1.72 H ATOM 209 HH21 ARG A 13 -8.551 -10.220 2.115 1.00 3.71 H ATOM 210 HH22 ARG A 13 -9.489 -10.728 3.483 1.00 3.66 H ATOM 211 N PHE A 14 -6.682 -1.017 2.379 1.00 0.11 N ATOM 212 CA PHE A 14 -6.847 0.395 2.692 1.00 0.12 C ATOM 213 C PHE A 14 -8.113 0.931 2.030 1.00 0.14 C ATOM 214 O PHE A 14 -8.559 0.403 1.016 1.00 0.23 O ATOM 215 CB PHE A 14 -5.636 1.188 2.194 1.00 0.15 C ATOM 216 CG PHE A 14 -4.324 0.630 2.654 1.00 0.14 C ATOM 217 CD1 PHE A 14 -3.824 0.943 3.906 1.00 0.22 C ATOM 218 CD2 PHE A 14 -3.591 -0.206 1.833 1.00 0.13 C ATOM 219 CE1 PHE A 14 -2.615 0.432 4.331 1.00 0.25 C ATOM 220 CE2 PHE A 14 -2.381 -0.721 2.251 1.00 0.13 C ATOM 221 CZ PHE A 14 -1.900 -0.407 3.514 1.00 0.19 C ATOM 222 H PHE A 14 -6.812 -1.314 1.450 1.00 0.15 H ATOM 223 HA PHE A 14 -6.929 0.500 3.763 1.00 0.12 H ATOM 224 HB2 PHE A 14 -5.634 1.196 1.116 1.00 0.16 H ATOM 225 HB3 PHE A 14 -5.707 2.204 2.554 1.00 0.19 H ATOM 226 HD1 PHE A 14 -4.390 1.598 4.553 1.00 0.28 H ATOM 227 HD2 PHE A 14 -3.973 -0.455 0.856 1.00 0.17 H ATOM 228 HE1 PHE A 14 -2.235 0.680 5.310 1.00 0.34 H ATOM 229 HE2 PHE A 14 -1.818 -1.370 1.600 1.00 0.16 H ATOM 230 HZ PHE A 14 -0.955 -0.810 3.850 1.00 0.22 H ATOM 231 N THR A 15 -8.694 1.966 2.611 1.00 0.13 N ATOM 232 CA THR A 15 -9.865 2.606 2.029 1.00 0.16 C ATOM 233 C THR A 15 -9.451 3.881 1.292 1.00 0.14 C ATOM 234 O THR A 15 -10.246 4.505 0.588 1.00 0.28 O ATOM 235 CB THR A 15 -10.900 2.947 3.120 1.00 0.25 C ATOM 236 OG1 THR A 15 -11.062 1.824 3.998 1.00 1.03 O ATOM 237 CG2 THR A 15 -12.249 3.309 2.513 1.00 1.16 C ATOM 238 H THR A 15 -8.333 2.306 3.458 1.00 0.17 H ATOM 239 HA THR A 15 -10.313 1.919 1.327 1.00 0.21 H ATOM 240 HB THR A 15 -10.536 3.791 3.690 1.00 0.94 H ATOM 241 HG1 THR A 15 -10.393 1.154 3.784 1.00 1.65 H ATOM 242 HG21 THR A 15 -12.938 3.578 3.299 1.00 1.64 H ATOM 243 HG22 THR A 15 -12.639 2.461 1.969 1.00 1.79 H ATOM 244 HG23 THR A 15 -12.127 4.144 1.839 1.00 1.78 H ATOM 245 N ARG A 16 -8.194 4.254 1.457 1.00 0.12 N ATOM 246 CA ARG A 16 -7.655 5.444 0.821 1.00 0.14 C ATOM 247 C ARG A 16 -6.603 5.051 -0.208 1.00 0.12 C ATOM 248 O ARG A 16 -5.708 4.252 0.082 1.00 0.13 O ATOM 249 CB ARG A 16 -7.015 6.352 1.868 1.00 0.24 C ATOM 250 CG ARG A 16 -7.921 6.696 3.036 1.00 0.36 C ATOM 251 CD ARG A 16 -7.131 7.309 4.182 1.00 1.34 C ATOM 252 NE ARG A 16 -7.982 7.639 5.320 1.00 2.17 N ATOM 253 CZ ARG A 16 -7.573 7.611 6.588 1.00 3.16 C ATOM 254 NH1 ARG A 16 -6.323 7.268 6.885 1.00 3.58 N1+ ATOM 255 NH2 ARG A 16 -8.414 7.941 7.559 1.00 4.11 N ATOM 256 H ARG A 16 -7.607 3.712 2.024 1.00 0.20 H ATOM 257 HA ARG A 16 -8.462 5.965 0.332 1.00 0.21 H ATOM 258 HB2 ARG A 16 -6.143 5.857 2.257 1.00 0.30 H ATOM 259 HB3 ARG A 16 -6.712 7.273 1.393 1.00 0.30 H ATOM 260 HG2 ARG A 16 -8.668 7.401 2.706 1.00 0.83 H ATOM 261 HG3 ARG A 16 -8.401 5.795 3.381 1.00 0.87 H ATOM 262 HD2 ARG A 16 -6.378 6.605 4.503 1.00 1.89 H ATOM 263 HD3 ARG A 16 -6.653 8.210 3.831 1.00 1.81 H ATOM 264 HE ARG A 16 -8.910 7.902 5.125 1.00 2.42 H ATOM 265 HH11 ARG A 16 -5.673 7.028 6.156 1.00 3.48 H ATOM 266 HH12 ARG A 16 -6.022 7.242 7.840 1.00 4.31 H ATOM 267 HH21 ARG A 16 -9.355 8.213 7.342 1.00 4.27 H ATOM 268 HH22 ARG A 16 -8.115 7.916 8.515 1.00 4.85 H ATOM 269 N SER A 17 -6.706 5.617 -1.401 1.00 0.15 N ATOM 270 CA SER A 17 -5.755 5.331 -2.463 1.00 0.18 C ATOM 271 C SER A 17 -4.402 5.949 -2.147 1.00 0.15 C ATOM 272 O SER A 17 -3.354 5.393 -2.475 1.00 0.17 O ATOM 273 CB SER A 17 -6.288 5.863 -3.793 1.00 0.27 C ATOM 274 OG SER A 17 -6.760 7.192 -3.650 1.00 0.75 O ATOM 275 H SER A 17 -7.436 6.253 -1.574 1.00 0.18 H ATOM 276 HA SER A 17 -5.643 4.258 -2.529 1.00 0.21 H ATOM 277 HB2 SER A 17 -5.499 5.850 -4.526 1.00 0.72 H ATOM 278 HB3 SER A 17 -7.104 5.238 -4.128 1.00 0.59 H ATOM 279 HG SER A 17 -7.689 7.229 -3.917 1.00 1.36 H ATOM 280 N ASP A 18 -4.432 7.099 -1.491 1.00 0.14 N ATOM 281 CA ASP A 18 -3.211 7.784 -1.097 1.00 0.16 C ATOM 282 C ASP A 18 -2.551 7.066 0.075 1.00 0.11 C ATOM 283 O ASP A 18 -1.334 7.114 0.236 1.00 0.12 O ATOM 284 CB ASP A 18 -3.491 9.248 -0.744 1.00 0.25 C ATOM 285 CG ASP A 18 -4.367 9.407 0.481 1.00 1.21 C ATOM 286 OD1 ASP A 18 -5.607 9.289 0.355 1.00 1.91 O ATOM 287 OD2 ASP A 18 -3.822 9.664 1.572 1.00 1.79 O1- ATOM 288 H ASP A 18 -5.301 7.502 -1.273 1.00 0.15 H ATOM 289 HA ASP A 18 -2.536 7.753 -1.939 1.00 0.20 H ATOM 290 HB2 ASP A 18 -2.555 9.748 -0.555 1.00 0.97 H ATOM 291 HB3 ASP A 18 -3.983 9.722 -1.580 1.00 1.05 H ATOM 292 N GLU A 19 -3.363 6.387 0.878 1.00 0.10 N ATOM 293 CA GLU A 19 -2.854 5.572 1.975 1.00 0.10 C ATOM 294 C GLU A 19 -2.109 4.369 1.413 1.00 0.08 C ATOM 295 O GLU A 19 -1.038 4.011 1.894 1.00 0.10 O ATOM 296 CB GLU A 19 -3.995 5.102 2.878 1.00 0.16 C ATOM 297 CG GLU A 19 -3.538 4.363 4.122 1.00 0.63 C ATOM 298 CD GLU A 19 -2.985 5.285 5.189 1.00 0.72 C ATOM 299 OE1 GLU A 19 -3.791 5.845 5.961 1.00 0.94 O ATOM 300 OE2 GLU A 19 -1.748 5.444 5.271 1.00 1.38 O1- ATOM 301 H GLU A 19 -4.327 6.441 0.731 1.00 0.12 H ATOM 302 HA GLU A 19 -2.168 6.174 2.549 1.00 0.13 H ATOM 303 HB2 GLU A 19 -4.563 5.963 3.193 1.00 0.63 H ATOM 304 HB3 GLU A 19 -4.638 4.444 2.314 1.00 0.62 H ATOM 305 HG2 GLU A 19 -4.380 3.830 4.534 1.00 1.27 H ATOM 306 HG3 GLU A 19 -2.770 3.658 3.842 1.00 1.19 H ATOM 307 N LEU A 20 -2.687 3.753 0.384 1.00 0.07 N ATOM 308 CA LEU A 20 -2.039 2.652 -0.317 1.00 0.08 C ATOM 309 C LEU A 20 -0.722 3.110 -0.938 1.00 0.08 C ATOM 310 O LEU A 20 0.293 2.422 -0.836 1.00 0.09 O ATOM 311 CB LEU A 20 -2.965 2.091 -1.400 1.00 0.10 C ATOM 312 CG LEU A 20 -2.318 1.068 -2.340 1.00 0.10 C ATOM 313 CD1 LEU A 20 -1.890 -0.175 -1.576 1.00 0.13 C ATOM 314 CD2 LEU A 20 -3.269 0.698 -3.469 1.00 0.17 C ATOM 315 H LEU A 20 -3.583 4.038 0.099 1.00 0.08 H ATOM 316 HA LEU A 20 -1.830 1.876 0.404 1.00 0.10 H ATOM 317 HB2 LEU A 20 -3.808 1.623 -0.913 1.00 0.12 H ATOM 318 HB3 LEU A 20 -3.326 2.916 -1.994 1.00 0.11 H ATOM 319 HG LEU A 20 -1.434 1.507 -2.778 1.00 0.09 H ATOM 320 HD11 LEU A 20 -1.179 0.098 -0.810 1.00 0.84 H ATOM 321 HD12 LEU A 20 -1.432 -0.877 -2.257 1.00 0.94 H ATOM 322 HD13 LEU A 20 -2.755 -0.632 -1.118 1.00 0.89 H ATOM 323 HD21 LEU A 20 -4.116 0.166 -3.066 1.00 1.00 H ATOM 324 HD22 LEU A 20 -2.754 0.071 -4.181 1.00 1.07 H ATOM 325 HD23 LEU A 20 -3.611 1.597 -3.962 1.00 0.98 H ATOM 326 N GLN A 21 -0.746 4.270 -1.582 1.00 0.10 N ATOM 327 CA GLN A 21 0.467 4.854 -2.149 1.00 0.12 C ATOM 328 C GLN A 21 1.511 5.075 -1.059 1.00 0.09 C ATOM 329 O GLN A 21 2.672 4.682 -1.203 1.00 0.11 O ATOM 330 CB GLN A 21 0.153 6.180 -2.845 1.00 0.19 C ATOM 331 CG GLN A 21 -0.639 6.032 -4.134 1.00 1.06 C ATOM 332 CD GLN A 21 -1.023 7.368 -4.737 1.00 1.66 C ATOM 333 OE1 GLN A 21 -0.271 7.953 -5.518 1.00 2.34 O ATOM 334 NE2 GLN A 21 -2.200 7.857 -4.388 1.00 2.22 N ATOM 335 H GLN A 21 -1.603 4.741 -1.685 1.00 0.11 H ATOM 336 HA GLN A 21 0.861 4.157 -2.873 1.00 0.14 H ATOM 337 HB2 GLN A 21 -0.416 6.800 -2.168 1.00 0.71 H ATOM 338 HB3 GLN A 21 1.083 6.679 -3.076 1.00 0.89 H ATOM 339 HG2 GLN A 21 -0.039 5.492 -4.851 1.00 1.72 H ATOM 340 HG3 GLN A 21 -1.540 5.475 -3.927 1.00 1.75 H ATOM 341 HE21 GLN A 21 -2.753 7.335 -3.770 1.00 2.35 H ATOM 342 HE22 GLN A 21 -2.477 8.720 -4.768 1.00 2.82 H ATOM 343 N ARG A 22 1.074 5.692 0.033 1.00 0.11 N ATOM 344 CA ARG A 22 1.923 5.934 1.191 1.00 0.15 C ATOM 345 C ARG A 22 2.502 4.622 1.705 1.00 0.11 C ATOM 346 O ARG A 22 3.679 4.535 2.054 1.00 0.15 O ATOM 347 CB ARG A 22 1.101 6.614 2.288 1.00 0.25 C ATOM 348 CG ARG A 22 1.877 6.919 3.557 1.00 0.37 C ATOM 349 CD ARG A 22 0.954 7.442 4.646 1.00 0.51 C ATOM 350 NE ARG A 22 0.311 8.701 4.269 1.00 1.09 N ATOM 351 CZ ARG A 22 -0.913 9.063 4.662 1.00 1.51 C ATOM 352 NH1 ARG A 22 -1.682 8.217 5.338 1.00 1.42 N1+ ATOM 353 NH2 ARG A 22 -1.383 10.262 4.346 1.00 2.47 N ATOM 354 H ARG A 22 0.142 5.997 0.062 1.00 0.13 H ATOM 355 HA ARG A 22 2.727 6.585 0.890 1.00 0.19 H ATOM 356 HB2 ARG A 22 0.712 7.543 1.903 1.00 0.29 H ATOM 357 HB3 ARG A 22 0.274 5.971 2.547 1.00 0.25 H ATOM 358 HG2 ARG A 22 2.354 6.014 3.904 1.00 0.34 H ATOM 359 HG3 ARG A 22 2.627 7.666 3.341 1.00 0.44 H ATOM 360 HD2 ARG A 22 0.190 6.705 4.841 1.00 1.09 H ATOM 361 HD3 ARG A 22 1.534 7.602 5.543 1.00 1.23 H ATOM 362 HE ARG A 22 0.834 9.326 3.717 1.00 1.66 H ATOM 363 HH11 ARG A 22 -2.600 8.497 5.634 1.00 1.85 H ATOM 364 HH12 ARG A 22 -1.359 7.286 5.538 1.00 1.43 H ATOM 365 HH21 ARG A 22 -2.302 10.539 4.641 1.00 2.80 H ATOM 366 HH22 ARG A 22 -0.825 10.893 3.802 1.00 2.99 H ATOM 367 N HIS A 23 1.662 3.599 1.727 1.00 0.10 N ATOM 368 CA HIS A 23 2.064 2.284 2.186 1.00 0.10 C ATOM 369 C HIS A 23 3.108 1.670 1.254 1.00 0.11 C ATOM 370 O HIS A 23 4.100 1.118 1.718 1.00 0.17 O ATOM 371 CB HIS A 23 0.843 1.363 2.309 1.00 0.12 C ATOM 372 CG HIS A 23 1.212 -0.069 2.498 1.00 0.12 C ATOM 373 ND1 HIS A 23 1.506 -0.651 3.726 1.00 0.17 N ATOM 374 CD2 HIS A 23 1.412 -1.027 1.568 1.00 0.12 C ATOM 375 CE1 HIS A 23 1.884 -1.918 3.494 1.00 0.19 C ATOM 376 NE2 HIS A 23 1.838 -2.158 2.211 1.00 0.15 N ATOM 377 H HIS A 23 0.737 3.736 1.425 1.00 0.14 H ATOM 378 HA HIS A 23 2.506 2.402 3.163 1.00 0.13 H ATOM 379 HB2 HIS A 23 0.244 1.668 3.152 1.00 0.14 H ATOM 380 HB3 HIS A 23 0.253 1.437 1.407 1.00 0.12 H ATOM 381 HD1 HIS A 23 1.447 -0.216 4.606 1.00 0.21 H ATOM 382 HD2 HIS A 23 1.250 -0.933 0.506 1.00 0.12 H ATOM 383 HE1 HIS A 23 2.181 -2.627 4.249 1.00 0.24 H ATOM 384 N LYS A 24 2.885 1.774 -0.053 1.00 0.10 N ATOM 385 CA LYS A 24 3.810 1.211 -1.041 1.00 0.14 C ATOM 386 C LYS A 24 5.226 1.747 -0.842 1.00 0.15 C ATOM 387 O LYS A 24 6.211 1.072 -1.169 1.00 0.17 O ATOM 388 CB LYS A 24 3.345 1.515 -2.470 1.00 0.22 C ATOM 389 CG LYS A 24 2.127 0.720 -2.925 1.00 0.28 C ATOM 390 CD LYS A 24 1.712 1.121 -4.333 1.00 1.08 C ATOM 391 CE LYS A 24 0.528 0.307 -4.835 1.00 1.23 C ATOM 392 NZ LYS A 24 0.885 -1.117 -5.089 1.00 1.43 N1+ ATOM 393 H LYS A 24 2.073 2.238 -0.363 1.00 0.09 H ATOM 394 HA LYS A 24 3.826 0.141 -0.899 1.00 0.17 H ATOM 395 HB2 LYS A 24 3.104 2.565 -2.539 1.00 0.23 H ATOM 396 HB3 LYS A 24 4.159 1.300 -3.147 1.00 0.26 H ATOM 397 HG2 LYS A 24 2.369 -0.332 -2.916 1.00 0.94 H ATOM 398 HG3 LYS A 24 1.307 0.911 -2.248 1.00 0.90 H ATOM 399 HD2 LYS A 24 1.440 2.164 -4.332 1.00 1.64 H ATOM 400 HD3 LYS A 24 2.549 0.968 -4.998 1.00 1.77 H ATOM 401 HE2 LYS A 24 -0.256 0.341 -4.093 1.00 1.51 H ATOM 402 HE3 LYS A 24 0.171 0.748 -5.754 1.00 1.51 H ATOM 403 HZ1 LYS A 24 0.048 -1.642 -5.417 1.00 2.01 H ATOM 404 HZ2 LYS A 24 1.236 -1.561 -4.218 1.00 1.71 H ATOM 405 HZ3 LYS A 24 1.625 -1.177 -5.817 1.00 1.73 H ATOM 406 N ARG A 25 5.325 2.949 -0.282 1.00 0.17 N ATOM 407 CA ARG A 25 6.614 3.576 -0.032 1.00 0.22 C ATOM 408 C ARG A 25 7.453 2.754 0.948 1.00 0.25 C ATOM 409 O ARG A 25 8.674 2.899 0.997 1.00 0.39 O ATOM 410 CB ARG A 25 6.424 4.995 0.507 1.00 0.33 C ATOM 411 CG ARG A 25 5.628 5.899 -0.418 1.00 0.46 C ATOM 412 CD ARG A 25 5.537 7.315 0.130 1.00 0.63 C ATOM 413 NE ARG A 25 6.827 8.003 0.098 1.00 1.40 N ATOM 414 CZ ARG A 25 7.334 8.694 1.119 1.00 2.00 C ATOM 415 NH1 ARG A 25 6.691 8.750 2.279 1.00 1.85 N1+ ATOM 416 NH2 ARG A 25 8.493 9.327 0.979 1.00 2.90 N ATOM 417 H ARG A 25 4.503 3.428 -0.030 1.00 0.16 H ATOM 418 HA ARG A 25 7.139 3.628 -0.972 1.00 0.26 H ATOM 419 HB2 ARG A 25 5.904 4.939 1.452 1.00 0.40 H ATOM 420 HB3 ARG A 25 7.394 5.441 0.667 1.00 0.34 H ATOM 421 HG2 ARG A 25 6.112 5.925 -1.383 1.00 0.50 H ATOM 422 HG3 ARG A 25 4.629 5.500 -0.527 1.00 0.50 H ATOM 423 HD2 ARG A 25 4.829 7.874 -0.462 1.00 0.84 H ATOM 424 HD3 ARG A 25 5.191 7.268 1.152 1.00 1.09 H ATOM 425 HE ARG A 25 7.334 7.963 -0.745 1.00 1.71 H ATOM 426 HH11 ARG A 25 7.075 9.270 3.044 1.00 2.34 H ATOM 427 HH12 ARG A 25 5.817 8.274 2.397 1.00 1.42 H ATOM 428 HH21 ARG A 25 8.986 9.287 0.105 1.00 3.18 H ATOM 429 HH22 ARG A 25 8.879 9.853 1.742 1.00 3.37 H ATOM 430 N THR A 26 6.805 1.885 1.718 1.00 0.25 N ATOM 431 CA THR A 26 7.519 1.056 2.678 1.00 0.32 C ATOM 432 C THR A 26 8.328 -0.018 1.959 1.00 0.33 C ATOM 433 O THR A 26 9.515 -0.200 2.234 1.00 0.47 O ATOM 434 CB THR A 26 6.573 0.383 3.698 1.00 0.41 C ATOM 435 OG1 THR A 26 5.646 -0.484 3.032 1.00 0.83 O ATOM 436 CG2 THR A 26 5.808 1.422 4.503 1.00 0.59 C ATOM 437 H THR A 26 5.831 1.797 1.631 1.00 0.26 H ATOM 438 HA THR A 26 8.198 1.695 3.220 1.00 0.36 H ATOM 439 HB THR A 26 7.171 -0.204 4.380 1.00 0.80 H ATOM 440 HG1 THR A 26 4.898 0.036 2.697 1.00 0.87 H ATOM 441 HG21 THR A 26 5.213 2.027 3.836 1.00 1.25 H ATOM 442 HG22 THR A 26 6.507 2.050 5.034 1.00 1.23 H ATOM 443 HG23 THR A 26 5.161 0.923 5.211 1.00 1.11 H ATOM 444 N HIS A 27 7.689 -0.704 1.014 1.00 0.28 N ATOM 445 CA HIS A 27 8.346 -1.771 0.266 1.00 0.30 C ATOM 446 C HIS A 27 9.445 -1.194 -0.608 1.00 0.34 C ATOM 447 O HIS A 27 10.516 -1.782 -0.759 1.00 0.38 O ATOM 448 CB HIS A 27 7.352 -2.525 -0.621 1.00 0.30 C ATOM 449 CG HIS A 27 6.236 -3.198 0.114 1.00 0.27 C ATOM 450 ND1 HIS A 27 6.383 -4.336 0.905 1.00 0.36 N ATOM 451 CD2 HIS A 27 4.915 -2.891 0.139 1.00 0.21 C ATOM 452 CE1 HIS A 27 5.165 -4.672 1.370 1.00 0.34 C ATOM 453 NE2 HIS A 27 4.277 -3.824 0.924 1.00 0.24 N ATOM 454 H HIS A 27 6.753 -0.485 0.813 1.00 0.30 H ATOM 455 HA HIS A 27 8.782 -2.458 0.975 1.00 0.32 H ATOM 456 HB2 HIS A 27 6.908 -1.828 -1.316 1.00 0.29 H ATOM 457 HB3 HIS A 27 7.886 -3.284 -1.176 1.00 0.36 H ATOM 458 HD1 HIS A 27 7.225 -4.811 1.088 1.00 0.43 H ATOM 459 HD2 HIS A 27 4.436 -2.073 -0.378 1.00 0.20 H ATOM 460 HE1 HIS A 27 4.951 -5.521 2.003 1.00 0.42 H ATOM 461 N THR A 28 9.176 -0.021 -1.165 1.00 0.39 N ATOM 462 CA THR A 28 10.126 0.648 -2.031 1.00 0.51 C ATOM 463 C THR A 28 11.174 1.404 -1.215 1.00 1.07 C ATOM 464 O THR A 28 12.005 2.127 -1.763 1.00 1.59 O ATOM 465 CB THR A 28 9.401 1.618 -2.981 1.00 1.07 C ATOM 466 OG1 THR A 28 8.499 2.447 -2.235 1.00 1.78 O ATOM 467 CG2 THR A 28 8.629 0.852 -4.045 1.00 0.82 C ATOM 468 H THR A 28 8.306 0.405 -0.990 1.00 0.38 H ATOM 469 HA THR A 28 10.621 -0.104 -2.626 1.00 0.60 H ATOM 470 HB THR A 28 10.136 2.243 -3.465 1.00 1.63 H ATOM 471 HG1 THR A 28 7.610 2.072 -2.283 1.00 2.28 H ATOM 472 HG21 THR A 28 7.913 0.199 -3.569 1.00 1.19 H ATOM 473 HG22 THR A 28 9.316 0.264 -4.635 1.00 1.47 H ATOM 474 HG23 THR A 28 8.111 1.550 -4.684 1.00 1.14 H ATOM 475 N GLY A 29 11.121 1.230 0.100 1.00 1.75 N ATOM 476 CA GLY A 29 12.088 1.854 0.976 1.00 2.45 C ATOM 477 C GLY A 29 12.983 0.833 1.646 1.00 3.23 C ATOM 478 O GLY A 29 13.807 1.178 2.493 1.00 3.94 O ATOM 479 H GLY A 29 10.409 0.671 0.480 1.00 2.06 H ATOM 480 HA2 GLY A 29 12.698 2.531 0.397 1.00 2.79 H ATOM 481 HA3 GLY A 29 11.564 2.413 1.736 1.00 2.66 H ATOM 482 N GLU A 30 12.821 -0.427 1.264 1.00 3.65 N ATOM 483 CA GLU A 30 13.632 -1.506 1.815 1.00 4.77 C ATOM 484 C GLU A 30 14.858 -1.736 0.947 1.00 5.13 C ATOM 485 O GLU A 30 14.808 -1.531 -0.268 1.00 5.68 O ATOM 486 CB GLU A 30 12.833 -2.806 1.902 1.00 5.63 C ATOM 487 CG GLU A 30 11.605 -2.734 2.790 1.00 6.09 C ATOM 488 CD GLU A 30 10.928 -4.079 2.928 1.00 6.97 C ATOM 489 OE1 GLU A 30 11.205 -4.789 3.915 1.00 7.32 O ATOM 490 OE2 GLU A 30 10.124 -4.442 2.043 1.00 7.52 O1- ATOM 491 H GLU A 30 12.148 -0.637 0.582 1.00 3.53 H ATOM 492 HA GLU A 30 13.949 -1.215 2.806 1.00 5.14 H ATOM 493 HB2 GLU A 30 12.513 -3.080 0.909 1.00 5.73 H ATOM 494 HB3 GLU A 30 13.480 -3.581 2.284 1.00 6.23 H ATOM 495 HG2 GLU A 30 11.902 -2.392 3.771 1.00 6.31 H ATOM 496 HG3 GLU A 30 10.903 -2.035 2.361 1.00 5.97 H ATOM 497 N LYS A 31 15.946 -2.176 1.559 1.00 5.24 N ATOM 498 CA LYS A 31 17.174 -2.444 0.831 1.00 5.99 C ATOM 499 C LYS A 31 17.498 -3.933 0.888 1.00 6.17 C ATOM 500 O LYS A 31 18.171 -4.406 1.802 1.00 6.59 O ATOM 501 CB LYS A 31 18.328 -1.621 1.412 1.00 6.33 C ATOM 502 CG LYS A 31 19.607 -1.698 0.596 1.00 6.99 C ATOM 503 CD LYS A 31 20.734 -0.912 1.245 1.00 7.69 C ATOM 504 CE LYS A 31 22.007 -0.995 0.423 1.00 8.59 C ATOM 505 NZ LYS A 31 23.133 -0.261 1.059 1.00 8.93 N1+ ATOM 506 H LYS A 31 15.923 -2.331 2.529 1.00 5.09 H ATOM 507 HA LYS A 31 17.019 -2.159 -0.200 1.00 6.56 H ATOM 508 HB2 LYS A 31 18.026 -0.586 1.470 1.00 6.29 H ATOM 509 HB3 LYS A 31 18.543 -1.978 2.408 1.00 6.50 H ATOM 510 HG2 LYS A 31 19.906 -2.731 0.509 1.00 7.20 H ATOM 511 HG3 LYS A 31 19.418 -1.293 -0.388 1.00 7.03 H ATOM 512 HD2 LYS A 31 20.437 0.122 1.330 1.00 7.74 H ATOM 513 HD3 LYS A 31 20.923 -1.318 2.229 1.00 7.76 H ATOM 514 HE2 LYS A 31 22.283 -2.032 0.316 1.00 8.72 H ATOM 515 HE3 LYS A 31 21.818 -0.572 -0.553 1.00 9.11 H ATOM 516 HZ1 LYS A 31 23.360 -0.683 1.980 1.00 9.20 H ATOM 517 HZ2 LYS A 31 22.878 0.737 1.201 1.00 8.97 H ATOM 518 HZ3 LYS A 31 23.976 -0.307 0.452 1.00 9.13 H HETATM 519 N NH2 A 32 16.997 -4.678 -0.080 1.00 6.25 N HETATM 520 HN1 NH2 A 32 16.469 -4.233 -0.777 1.00 6.15 H HETATM 521 HN2 NH2 A 32 17.172 -5.642 -0.062 1.00 6.63 H TER 522 NH2 A 32 HETATM 523 ZN ZN A 101 2.320 -3.849 1.299 1.00 0.19 ZN