ATOM 1 N ARG A 1 13.556 -0.067 4.266 1.00 0.94 N ATOM 2 CA ARG A 1 12.769 -1.237 3.821 1.00 0.76 C ATOM 3 C ARG A 1 11.716 -0.794 2.814 1.00 0.57 C ATOM 4 O ARG A 1 11.228 0.334 2.880 1.00 0.60 O ATOM 5 CB ARG A 1 12.077 -1.907 5.017 1.00 0.96 C ATOM 6 CG ARG A 1 10.976 -1.059 5.641 1.00 1.90 C ATOM 7 CD ARG A 1 10.200 -1.827 6.698 1.00 2.39 C ATOM 8 NE ARG A 1 11.027 -2.170 7.851 1.00 2.87 N ATOM 9 CZ ARG A 1 10.648 -3.008 8.815 1.00 3.54 C ATOM 10 NH1 ARG A 1 9.472 -3.620 8.743 1.00 3.82 N1+ ATOM 11 NH2 ARG A 1 11.451 -3.238 9.844 1.00 4.30 N ATOM 12 H1 ARG A 1 14.239 -0.347 4.998 1.00 1.46 H ATOM 13 H2 ARG A 1 12.925 0.660 4.655 1.00 1.52 H ATOM 14 H3 ARG A 1 14.074 0.339 3.461 1.00 1.16 H ATOM 15 HA ARG A 1 13.437 -1.941 3.349 1.00 0.83 H ATOM 16 HB2 ARG A 1 11.641 -2.839 4.692 1.00 1.28 H ATOM 17 HB3 ARG A 1 12.817 -2.112 5.778 1.00 1.25 H ATOM 18 HG2 ARG A 1 11.425 -0.189 6.100 1.00 2.21 H ATOM 19 HG3 ARG A 1 10.296 -0.744 4.863 1.00 2.47 H ATOM 20 HD2 ARG A 1 9.371 -1.219 7.031 1.00 2.73 H ATOM 21 HD3 ARG A 1 9.819 -2.738 6.257 1.00 2.75 H ATOM 22 HE ARG A 1 11.908 -1.738 7.917 1.00 3.05 H ATOM 23 HH11 ARG A 1 9.187 -4.251 9.472 1.00 4.43 H ATOM 24 HH12 ARG A 1 8.864 -3.459 7.964 1.00 3.69 H ATOM 25 HH21 ARG A 1 12.344 -2.782 9.900 1.00 4.52 H ATOM 26 HH22 ARG A 1 11.171 -3.871 10.572 1.00 4.84 H ATOM 27 N PRO A 2 11.363 -1.661 1.856 1.00 0.48 N ATOM 28 CA PRO A 2 10.270 -1.388 0.935 1.00 0.37 C ATOM 29 C PRO A 2 8.916 -1.583 1.605 1.00 0.31 C ATOM 30 O PRO A 2 8.756 -2.447 2.471 1.00 0.43 O ATOM 31 CB PRO A 2 10.472 -2.411 -0.179 1.00 0.45 C ATOM 32 CG PRO A 2 11.153 -3.555 0.485 1.00 0.58 C ATOM 33 CD PRO A 2 12.007 -2.961 1.579 1.00 0.63 C ATOM 34 HA PRO A 2 10.332 -0.388 0.531 1.00 0.40 H ATOM 35 HB2 PRO A 2 9.512 -2.699 -0.585 1.00 0.46 H ATOM 36 HB3 PRO A 2 11.088 -1.983 -0.956 1.00 0.51 H ATOM 37 HG2 PRO A 2 10.415 -4.222 0.906 1.00 0.60 H ATOM 38 HG3 PRO A 2 11.768 -4.080 -0.230 1.00 0.69 H ATOM 39 HD2 PRO A 2 11.991 -3.594 2.453 1.00 0.74 H ATOM 40 HD3 PRO A 2 13.020 -2.820 1.231 1.00 0.73 H ATOM 41 N PHE A 3 7.956 -0.778 1.207 1.00 0.19 N ATOM 42 CA PHE A 3 6.624 -0.827 1.776 1.00 0.16 C ATOM 43 C PHE A 3 5.733 -1.713 0.919 1.00 0.15 C ATOM 44 O PHE A 3 5.149 -1.266 -0.063 1.00 0.18 O ATOM 45 CB PHE A 3 6.055 0.587 1.879 1.00 0.14 C ATOM 46 CG PHE A 3 6.871 1.481 2.763 1.00 0.15 C ATOM 47 CD1 PHE A 3 7.833 2.319 2.224 1.00 0.14 C ATOM 48 CD2 PHE A 3 6.682 1.476 4.132 1.00 0.22 C ATOM 49 CE1 PHE A 3 8.589 3.138 3.037 1.00 0.17 C ATOM 50 CE2 PHE A 3 7.435 2.294 4.951 1.00 0.25 C ATOM 51 CZ PHE A 3 8.392 3.126 4.403 1.00 0.21 C ATOM 52 H PHE A 3 8.144 -0.130 0.493 1.00 0.19 H ATOM 53 HA PHE A 3 6.699 -1.254 2.764 1.00 0.22 H ATOM 54 HB2 PHE A 3 6.021 1.031 0.897 1.00 0.13 H ATOM 55 HB3 PHE A 3 5.057 0.542 2.284 1.00 0.19 H ATOM 56 HD1 PHE A 3 7.987 2.331 1.155 1.00 0.16 H ATOM 57 HD2 PHE A 3 5.935 0.824 4.560 1.00 0.26 H ATOM 58 HE1 PHE A 3 9.334 3.787 2.604 1.00 0.19 H ATOM 59 HE2 PHE A 3 7.276 2.280 6.019 1.00 0.31 H ATOM 60 HZ PHE A 3 8.982 3.767 5.041 1.00 0.24 H HETATM 61 N NLE A 4 5.651 -2.977 1.293 1.00 0.15 N HETATM 62 CA NLE A 4 4.947 -3.966 0.493 1.00 0.15 C HETATM 63 C NLE A 4 3.555 -4.232 1.054 1.00 0.15 C HETATM 64 O NLE A 4 3.378 -4.379 2.268 1.00 0.21 O HETATM 65 CB NLE A 4 5.756 -5.266 0.446 1.00 0.21 C HETATM 66 CG NLE A 4 5.157 -6.338 -0.452 1.00 0.26 C HETATM 67 CD NLE A 4 6.021 -7.589 -0.474 1.00 0.33 C HETATM 68 CE NLE A 4 5.406 -8.636 -1.377 1.00 0.85 C HETATM 69 H NLE A 4 6.063 -3.250 2.139 1.00 0.20 H HETATM 70 HA NLE A 4 4.850 -3.574 -0.507 1.00 0.15 H HETATM 71 HB2 NLE A 4 5.826 -5.666 1.447 1.00 0.25 H HETATM 72 HB3 NLE A 4 6.750 -5.044 0.090 1.00 0.22 H HETATM 73 HG2 NLE A 4 5.077 -5.949 -1.456 1.00 0.26 H HETATM 74 HG3 NLE A 4 4.174 -6.595 -0.084 1.00 0.27 H HETATM 75 HD2 NLE A 4 6.097 -7.992 0.526 1.00 0.80 H HETATM 76 HD3 NLE A 4 7.002 -7.340 -0.850 1.00 0.79 H HETATM 77 HE1 NLE A 4 4.433 -8.910 -1.001 1.00 1.36 H HETATM 78 HE2 NLE A 4 6.042 -9.509 -1.401 1.00 1.52 H HETATM 79 HE3 NLE A 4 5.308 -8.236 -2.376 1.00 1.43 H ATOM 80 N CYS A 5 2.574 -4.271 0.163 1.00 0.13 N ATOM 81 CA CYS A 5 1.208 -4.604 0.532 1.00 0.18 C ATOM 82 C CYS A 5 1.117 -6.069 0.957 1.00 0.29 C ATOM 83 O CYS A 5 1.866 -6.914 0.468 1.00 0.33 O ATOM 84 CB CYS A 5 0.259 -4.321 -0.640 1.00 0.13 C ATOM 85 SG CYS A 5 -1.445 -4.859 -0.363 1.00 0.20 S ATOM 86 H CYS A 5 2.781 -4.068 -0.778 1.00 0.11 H ATOM 87 HA CYS A 5 0.930 -3.981 1.368 1.00 0.26 H ATOM 88 HB2 CYS A 5 0.237 -3.256 -0.825 1.00 0.17 H ATOM 89 HB3 CYS A 5 0.626 -4.823 -1.519 1.00 0.13 H ATOM 90 N THR A 6 0.207 -6.357 1.872 1.00 0.42 N ATOM 91 CA THR A 6 0.050 -7.699 2.407 1.00 0.57 C ATOM 92 C THR A 6 -1.424 -8.070 2.524 1.00 0.46 C ATOM 93 O THR A 6 -1.904 -8.440 3.597 1.00 0.49 O ATOM 94 CB THR A 6 0.723 -7.821 3.788 1.00 0.85 C ATOM 95 OG1 THR A 6 0.436 -6.654 4.575 1.00 1.31 O ATOM 96 CG2 THR A 6 2.228 -7.990 3.653 1.00 1.22 C ATOM 97 H THR A 6 -0.386 -5.649 2.193 1.00 0.45 H ATOM 98 HA THR A 6 0.532 -8.388 1.731 1.00 0.64 H ATOM 99 HB THR A 6 0.323 -8.690 4.291 1.00 0.76 H ATOM 100 HG1 THR A 6 -0.094 -6.909 5.343 1.00 1.76 H ATOM 101 HG21 THR A 6 2.639 -7.144 3.122 1.00 1.66 H ATOM 102 HG22 THR A 6 2.442 -8.897 3.106 1.00 1.79 H ATOM 103 HG23 THR A 6 2.675 -8.048 4.636 1.00 1.53 H ATOM 104 N TRP A 7 -2.144 -7.964 1.417 1.00 0.44 N ATOM 105 CA TRP A 7 -3.562 -8.280 1.404 1.00 0.38 C ATOM 106 C TRP A 7 -3.798 -9.612 0.703 1.00 0.51 C ATOM 107 O TRP A 7 -4.098 -9.654 -0.492 1.00 0.61 O ATOM 108 CB TRP A 7 -4.350 -7.166 0.715 1.00 0.39 C ATOM 109 CG TRP A 7 -5.828 -7.253 0.945 1.00 0.42 C ATOM 110 CD1 TRP A 7 -6.738 -7.934 0.192 1.00 0.49 C ATOM 111 CD2 TRP A 7 -6.566 -6.631 2.002 1.00 0.51 C ATOM 112 NE1 TRP A 7 -7.996 -7.778 0.719 1.00 0.57 N ATOM 113 CE2 TRP A 7 -7.917 -6.981 1.830 1.00 0.59 C ATOM 114 CE3 TRP A 7 -6.212 -5.813 3.079 1.00 0.62 C ATOM 115 CZ2 TRP A 7 -8.917 -6.540 2.695 1.00 0.73 C ATOM 116 CZ3 TRP A 7 -7.204 -5.376 3.937 1.00 0.78 C ATOM 117 CH2 TRP A 7 -8.542 -5.740 3.740 1.00 0.82 C ATOM 118 H TRP A 7 -1.712 -7.669 0.587 1.00 0.52 H ATOM 119 HA TRP A 7 -3.893 -8.364 2.429 1.00 0.36 H ATOM 120 HB2 TRP A 7 -4.010 -6.211 1.083 1.00 0.42 H ATOM 121 HB3 TRP A 7 -4.175 -7.219 -0.348 1.00 0.45 H ATOM 122 HD1 TRP A 7 -6.488 -8.509 -0.686 1.00 0.55 H ATOM 123 HE1 TRP A 7 -8.819 -8.175 0.356 1.00 0.66 H ATOM 124 HE3 TRP A 7 -5.185 -5.524 3.246 1.00 0.64 H ATOM 125 HZ2 TRP A 7 -9.954 -6.813 2.557 1.00 0.80 H ATOM 126 HZ3 TRP A 7 -6.949 -4.744 4.775 1.00 0.91 H ATOM 127 HH2 TRP A 7 -9.284 -5.376 4.435 1.00 0.95 H HETATM 128 N ORN A 8 -1.989 -13.310 -2.404 1.00 0.96 N HETATM 129 CA ORN A 8 -2.193 -12.010 -1.731 1.00 0.74 C HETATM 130 CB ORN A 8 -1.604 -12.035 -0.317 1.00 0.85 C HETATM 131 CG ORN A 8 -2.464 -12.775 0.694 1.00 0.95 C HETATM 132 CD ORN A 8 -3.791 -12.061 0.934 1.00 0.76 C HETATM 133 NE ORN A 8 -3.607 -10.699 1.436 1.00 0.57 N HETATM 134 C ORN A 8 -1.565 -10.876 -2.527 1.00 0.57 C HETATM 135 O ORN A 8 -0.488 -11.026 -3.105 1.00 0.62 O HETATM 136 H ORN A 8 -2.398 -14.078 -1.838 1.00 1.31 H HETATM 137 HA ORN A 8 -3.256 -11.832 -1.662 1.00 0.68 H HETATM 138 HB2 ORN A 8 -1.482 -11.018 0.026 1.00 1.41 H HETATM 139 HB3 ORN A 8 -0.636 -12.511 -0.351 1.00 1.23 H HETATM 140 HG2 ORN A 8 -1.925 -12.842 1.628 1.00 1.68 H HETATM 141 HG3 ORN A 8 -2.664 -13.770 0.321 1.00 1.12 H HETATM 142 HD2 ORN A 8 -4.362 -12.623 1.657 1.00 0.81 H HETATM 143 HD3 ORN A 8 -4.337 -12.016 0.004 1.00 0.75 H HETATM 144 HE1 ORN A 8 -3.317 -10.593 2.367 1.00 0.53 H HETATM 145 HT3 ORN A 8 -2.448 -13.304 -3.339 1.00 1.21 H ATOM 146 N CYS A 9 -2.259 -9.751 -2.552 1.00 0.41 N ATOM 147 CA CYS A 9 -1.774 -8.547 -3.201 1.00 0.30 C ATOM 148 C CYS A 9 -0.565 -8.001 -2.446 1.00 0.26 C ATOM 149 O CYS A 9 -0.592 -7.905 -1.217 1.00 0.34 O ATOM 150 CB CYS A 9 -2.898 -7.512 -3.242 1.00 0.29 C ATOM 151 SG CYS A 9 -2.405 -5.895 -3.860 1.00 0.23 S ATOM 152 H CYS A 9 -3.137 -9.727 -2.109 1.00 0.39 H ATOM 153 HA CYS A 9 -1.483 -8.799 -4.208 1.00 0.32 H ATOM 154 HB2 CYS A 9 -3.691 -7.876 -3.881 1.00 0.33 H ATOM 155 HB3 CYS A 9 -3.286 -7.378 -2.244 1.00 0.30 H ATOM 156 N GLY A 10 0.490 -7.650 -3.175 1.00 0.25 N ATOM 157 CA GLY A 10 1.710 -7.216 -2.532 1.00 0.27 C ATOM 158 C GLY A 10 2.585 -6.343 -3.410 1.00 0.21 C ATOM 159 O GLY A 10 3.693 -6.736 -3.773 1.00 0.30 O ATOM 160 H GLY A 10 0.439 -7.687 -4.153 1.00 0.32 H ATOM 161 HA2 GLY A 10 1.453 -6.663 -1.641 1.00 0.31 H ATOM 162 HA3 GLY A 10 2.273 -8.089 -2.244 1.00 0.34 H ATOM 163 N LYS A 11 2.092 -5.163 -3.761 1.00 0.17 N ATOM 164 CA LYS A 11 2.908 -4.182 -4.468 1.00 0.16 C ATOM 165 C LYS A 11 3.930 -3.565 -3.516 1.00 0.16 C ATOM 166 O LYS A 11 3.648 -3.390 -2.329 1.00 0.21 O ATOM 167 CB LYS A 11 2.031 -3.083 -5.071 1.00 0.24 C ATOM 168 CG LYS A 11 1.169 -3.550 -6.230 1.00 0.75 C ATOM 169 CD LYS A 11 0.330 -2.412 -6.795 1.00 0.58 C ATOM 170 CE LYS A 11 1.190 -1.325 -7.424 1.00 1.49 C ATOM 171 NZ LYS A 11 0.368 -0.225 -7.993 1.00 2.05 N1+ ATOM 172 H LYS A 11 1.162 -4.949 -3.548 1.00 0.24 H ATOM 173 HA LYS A 11 3.433 -4.693 -5.262 1.00 0.18 H ATOM 174 HB2 LYS A 11 1.376 -2.703 -4.300 1.00 0.71 H ATOM 175 HB3 LYS A 11 2.665 -2.282 -5.420 1.00 0.81 H ATOM 176 HG2 LYS A 11 1.810 -3.933 -7.010 1.00 1.30 H ATOM 177 HG3 LYS A 11 0.511 -4.332 -5.883 1.00 1.24 H ATOM 178 HD2 LYS A 11 -0.333 -2.808 -7.548 1.00 0.70 H ATOM 179 HD3 LYS A 11 -0.251 -1.979 -5.995 1.00 0.86 H ATOM 180 HE2 LYS A 11 1.842 -0.918 -6.667 1.00 2.21 H ATOM 181 HE3 LYS A 11 1.784 -1.764 -8.211 1.00 1.86 H ATOM 182 HZ1 LYS A 11 0.976 0.457 -8.489 1.00 2.40 H ATOM 183 HZ2 LYS A 11 -0.139 0.272 -7.237 1.00 2.57 H ATOM 184 HZ3 LYS A 11 -0.326 -0.606 -8.666 1.00 2.43 H ATOM 185 N ARG A 12 5.112 -3.247 -4.032 1.00 0.14 N ATOM 186 CA ARG A 12 6.178 -2.680 -3.211 1.00 0.17 C ATOM 187 C ARG A 12 6.354 -1.196 -3.503 1.00 0.15 C ATOM 188 O ARG A 12 6.604 -0.801 -4.642 1.00 0.24 O ATOM 189 CB ARG A 12 7.499 -3.407 -3.466 1.00 0.26 C ATOM 190 CG ARG A 12 7.437 -4.906 -3.221 1.00 0.83 C ATOM 191 CD ARG A 12 8.786 -5.567 -3.469 1.00 0.78 C ATOM 192 NE ARG A 12 9.251 -5.382 -4.846 1.00 1.85 N ATOM 193 CZ ARG A 12 10.524 -5.482 -5.229 1.00 2.32 C ATOM 194 NH1 ARG A 12 11.472 -5.760 -4.340 1.00 2.15 N1+ ATOM 195 NH2 ARG A 12 10.847 -5.296 -6.503 1.00 3.36 N ATOM 196 H ARG A 12 5.270 -3.389 -4.990 1.00 0.14 H ATOM 197 HA ARG A 12 5.898 -2.800 -2.175 1.00 0.21 H ATOM 198 HB2 ARG A 12 7.792 -3.245 -4.492 1.00 0.90 H ATOM 199 HB3 ARG A 12 8.257 -2.991 -2.817 1.00 0.85 H ATOM 200 HG2 ARG A 12 7.141 -5.082 -2.197 1.00 1.33 H ATOM 201 HG3 ARG A 12 6.705 -5.340 -3.886 1.00 1.38 H ATOM 202 HD2 ARG A 12 9.512 -5.134 -2.797 1.00 0.99 H ATOM 203 HD3 ARG A 12 8.698 -6.624 -3.269 1.00 0.93 H ATOM 204 HE ARG A 12 8.569 -5.173 -5.529 1.00 2.49 H ATOM 205 HH11 ARG A 12 11.234 -5.896 -3.376 1.00 1.82 H ATOM 206 HH12 ARG A 12 12.428 -5.841 -4.633 1.00 2.73 H ATOM 207 HH21 ARG A 12 11.804 -5.369 -6.800 1.00 3.75 H ATOM 208 HH22 ARG A 12 10.134 -5.081 -7.176 1.00 3.87 H ATOM 209 N PHE A 13 6.233 -0.382 -2.471 1.00 0.10 N ATOM 210 CA PHE A 13 6.342 1.059 -2.611 1.00 0.10 C ATOM 211 C PHE A 13 7.568 1.574 -1.876 1.00 0.12 C ATOM 212 O PHE A 13 8.018 0.973 -0.904 1.00 0.18 O ATOM 213 CB PHE A 13 5.083 1.725 -2.059 1.00 0.12 C ATOM 214 CG PHE A 13 3.834 1.247 -2.733 1.00 0.14 C ATOM 215 CD1 PHE A 13 3.336 1.914 -3.838 1.00 0.19 C ATOM 216 CD2 PHE A 13 3.152 0.144 -2.255 1.00 0.16 C ATOM 217 CE1 PHE A 13 2.179 1.490 -4.453 1.00 0.22 C ATOM 218 CE2 PHE A 13 1.995 -0.287 -2.867 1.00 0.20 C ATOM 219 CZ PHE A 13 1.540 0.339 -3.990 1.00 0.21 C ATOM 220 H PHE A 13 6.058 -0.762 -1.580 1.00 0.14 H ATOM 221 HA PHE A 13 6.433 1.291 -3.660 1.00 0.13 H ATOM 222 HB2 PHE A 13 4.996 1.508 -1.004 1.00 0.12 H ATOM 223 HB3 PHE A 13 5.153 2.792 -2.202 1.00 0.14 H ATOM 224 HD1 PHE A 13 3.861 2.778 -4.216 1.00 0.21 H ATOM 225 HD2 PHE A 13 3.533 -0.384 -1.395 1.00 0.16 H ATOM 226 HE1 PHE A 13 1.799 2.019 -5.315 1.00 0.27 H ATOM 227 HE2 PHE A 13 1.470 -1.149 -2.486 1.00 0.22 H ATOM 228 HZ PHE A 13 0.646 -0.016 -4.480 1.00 0.25 H ATOM 229 N THR A 14 8.117 2.679 -2.351 1.00 0.15 N ATOM 230 CA THR A 14 9.267 3.291 -1.710 1.00 0.17 C ATOM 231 C THR A 14 8.806 4.355 -0.714 1.00 0.13 C ATOM 232 O THR A 14 9.604 4.932 0.031 1.00 0.24 O ATOM 233 CB THR A 14 10.199 3.921 -2.762 1.00 0.28 C ATOM 234 OG1 THR A 14 10.382 3.005 -3.855 1.00 0.85 O ATOM 235 CG2 THR A 14 11.555 4.261 -2.161 1.00 0.95 C ATOM 236 H THR A 14 7.741 3.095 -3.157 1.00 0.20 H ATOM 237 HA THR A 14 9.811 2.521 -1.182 1.00 0.23 H ATOM 238 HB THR A 14 9.744 4.829 -3.130 1.00 0.82 H ATOM 239 HG1 THR A 14 9.954 2.161 -3.641 1.00 1.26 H ATOM 240 HG21 THR A 14 11.419 4.918 -1.316 1.00 1.58 H ATOM 241 HG22 THR A 14 12.166 4.752 -2.905 1.00 1.36 H ATOM 242 HG23 THR A 14 12.044 3.353 -1.838 1.00 1.65 H ATOM 243 N ARG A 15 7.505 4.608 -0.705 1.00 0.13 N ATOM 244 CA ARG A 15 6.920 5.580 0.200 1.00 0.18 C ATOM 245 C ARG A 15 5.739 4.968 0.947 1.00 0.14 C ATOM 246 O ARG A 15 4.847 4.361 0.346 1.00 0.13 O ATOM 247 CB ARG A 15 6.464 6.825 -0.568 1.00 0.31 C ATOM 248 CG ARG A 15 7.590 7.577 -1.257 1.00 0.38 C ATOM 249 CD ARG A 15 7.097 8.894 -1.834 1.00 0.91 C ATOM 250 NE ARG A 15 6.581 9.785 -0.793 1.00 1.61 N ATOM 251 CZ ARG A 15 5.449 10.484 -0.898 1.00 2.07 C ATOM 252 NH1 ARG A 15 4.731 10.436 -2.017 1.00 1.87 N1+ ATOM 253 NH2 ARG A 15 5.045 11.246 0.111 1.00 3.12 N ATOM 254 H ARG A 15 6.922 4.123 -1.327 1.00 0.20 H ATOM 255 HA ARG A 15 7.678 5.861 0.916 1.00 0.22 H ATOM 256 HB2 ARG A 15 5.752 6.523 -1.321 1.00 0.37 H ATOM 257 HB3 ARG A 15 5.978 7.500 0.120 1.00 0.40 H ATOM 258 HG2 ARG A 15 8.371 7.778 -0.540 1.00 0.69 H ATOM 259 HG3 ARG A 15 7.982 6.968 -2.059 1.00 0.59 H ATOM 260 HD2 ARG A 15 7.916 9.382 -2.338 1.00 1.32 H ATOM 261 HD3 ARG A 15 6.310 8.690 -2.544 1.00 1.67 H ATOM 262 HE ARG A 15 7.111 9.862 0.031 1.00 2.18 H ATOM 263 HH11 ARG A 15 5.037 9.876 -2.790 1.00 1.78 H ATOM 264 HH12 ARG A 15 3.873 10.953 -2.091 1.00 2.28 H ATOM 265 HH21 ARG A 15 5.588 11.301 0.954 1.00 3.70 H ATOM 266 HH22 ARG A 15 4.191 11.768 0.038 1.00 3.46 H ATOM 267 N SER A 16 5.745 5.139 2.263 1.00 0.15 N ATOM 268 CA SER A 16 4.699 4.605 3.122 1.00 0.14 C ATOM 269 C SER A 16 3.354 5.245 2.803 1.00 0.12 C ATOM 270 O SER A 16 2.308 4.608 2.915 1.00 0.15 O ATOM 271 CB SER A 16 5.068 4.841 4.587 1.00 0.22 C ATOM 272 OG SER A 16 5.597 6.144 4.774 1.00 1.22 O ATOM 273 H SER A 16 6.477 5.647 2.676 1.00 0.19 H ATOM 274 HA SER A 16 4.633 3.542 2.941 1.00 0.16 H ATOM 275 HB2 SER A 16 4.186 4.733 5.199 1.00 0.90 H ATOM 276 HB3 SER A 16 5.808 4.116 4.892 1.00 1.04 H ATOM 277 HG SER A 16 5.091 6.597 5.460 1.00 1.52 H ATOM 278 N ASP A 17 3.394 6.509 2.402 1.00 0.14 N ATOM 279 CA ASP A 17 2.190 7.224 2.001 1.00 0.19 C ATOM 280 C ASP A 17 1.593 6.599 0.751 1.00 0.16 C ATOM 281 O ASP A 17 0.379 6.555 0.589 1.00 0.18 O ATOM 282 CB ASP A 17 2.485 8.702 1.746 1.00 0.28 C ATOM 283 CG ASP A 17 2.926 9.435 2.994 1.00 1.40 C ATOM 284 OD1 ASP A 17 2.072 9.699 3.868 1.00 2.04 O ATOM 285 OD2 ASP A 17 4.126 9.762 3.105 1.00 2.15 O1- ATOM 286 H ASP A 17 4.258 6.977 2.385 1.00 0.15 H ATOM 287 HA ASP A 17 1.474 7.140 2.803 1.00 0.24 H ATOM 288 HB2 ASP A 17 3.269 8.784 1.010 1.00 1.06 H ATOM 289 HB3 ASP A 17 1.596 9.177 1.366 1.00 0.95 H ATOM 290 N GLU A 18 2.456 6.094 -0.117 1.00 0.15 N ATOM 291 CA GLU A 18 2.015 5.471 -1.352 1.00 0.16 C ATOM 292 C GLU A 18 1.453 4.085 -1.084 1.00 0.11 C ATOM 293 O GLU A 18 0.550 3.632 -1.786 1.00 0.13 O ATOM 294 CB GLU A 18 3.160 5.404 -2.355 1.00 0.25 C ATOM 295 CG GLU A 18 3.569 6.765 -2.878 1.00 0.40 C ATOM 296 CD GLU A 18 2.424 7.488 -3.557 1.00 1.31 C ATOM 297 OE1 GLU A 18 1.832 8.391 -2.934 1.00 2.28 O ATOM 298 OE2 GLU A 18 2.111 7.157 -4.718 1.00 1.61 O1- ATOM 299 H GLU A 18 3.411 6.133 0.082 1.00 0.16 H ATOM 300 HA GLU A 18 1.230 6.085 -1.763 1.00 0.24 H ATOM 301 HB2 GLU A 18 4.017 4.951 -1.878 1.00 0.27 H ATOM 302 HB3 GLU A 18 2.858 4.794 -3.192 1.00 0.28 H ATOM 303 HG2 GLU A 18 3.914 7.368 -2.049 1.00 0.80 H ATOM 304 HG3 GLU A 18 4.371 6.635 -3.589 1.00 0.93 H ATOM 305 N LEU A 19 1.988 3.414 -0.069 1.00 0.11 N ATOM 306 CA LEU A 19 1.440 2.130 0.346 1.00 0.12 C ATOM 307 C LEU A 19 0.056 2.313 0.960 1.00 0.12 C ATOM 308 O LEU A 19 -0.863 1.559 0.660 1.00 0.14 O ATOM 309 CB LEU A 19 2.366 1.422 1.338 1.00 0.14 C ATOM 310 CG LEU A 19 1.795 0.131 1.936 1.00 0.15 C ATOM 311 CD1 LEU A 19 1.497 -0.883 0.842 1.00 0.17 C ATOM 312 CD2 LEU A 19 2.749 -0.457 2.962 1.00 0.17 C ATOM 313 H LEU A 19 2.774 3.781 0.395 1.00 0.12 H ATOM 314 HA LEU A 19 1.342 1.517 -0.538 1.00 0.14 H ATOM 315 HB2 LEU A 19 3.291 1.187 0.831 1.00 0.15 H ATOM 316 HB3 LEU A 19 2.582 2.102 2.147 1.00 0.15 H ATOM 317 HG LEU A 19 0.865 0.359 2.438 1.00 0.15 H ATOM 318 HD11 LEU A 19 2.408 -1.118 0.313 1.00 0.93 H ATOM 319 HD12 LEU A 19 0.775 -0.468 0.153 1.00 0.92 H ATOM 320 HD13 LEU A 19 1.096 -1.781 1.284 1.00 0.94 H ATOM 321 HD21 LEU A 19 3.046 0.312 3.660 1.00 0.94 H ATOM 322 HD22 LEU A 19 3.623 -0.849 2.461 1.00 1.07 H ATOM 323 HD23 LEU A 19 2.256 -1.255 3.497 1.00 1.03 H ATOM 324 N GLN A 20 -0.090 3.321 1.816 1.00 0.15 N ATOM 325 CA GLN A 20 -1.391 3.626 2.407 1.00 0.19 C ATOM 326 C GLN A 20 -2.369 4.056 1.319 1.00 0.15 C ATOM 327 O GLN A 20 -3.533 3.641 1.305 1.00 0.16 O ATOM 328 CB GLN A 20 -1.267 4.723 3.465 1.00 0.27 C ATOM 329 CG GLN A 20 -0.422 4.327 4.664 1.00 1.15 C ATOM 330 CD GLN A 20 -0.341 5.427 5.699 1.00 1.67 C ATOM 331 OE1 GLN A 20 -1.148 5.488 6.625 1.00 2.11 O ATOM 332 NE2 GLN A 20 0.624 6.317 5.539 1.00 2.50 N ATOM 333 H GLN A 20 0.692 3.867 2.059 1.00 0.17 H ATOM 334 HA GLN A 20 -1.762 2.725 2.872 1.00 0.23 H ATOM 335 HB2 GLN A 20 -0.819 5.594 3.010 1.00 0.82 H ATOM 336 HB3 GLN A 20 -2.255 4.979 3.817 1.00 0.82 H ATOM 337 HG2 GLN A 20 -0.859 3.453 5.125 1.00 1.84 H ATOM 338 HG3 GLN A 20 0.578 4.096 4.327 1.00 1.71 H ATOM 339 HE21 GLN A 20 1.224 6.215 4.771 1.00 2.87 H ATOM 340 HE22 GLN A 20 0.696 7.047 6.191 1.00 3.01 H ATOM 341 N ARG A 21 -1.872 4.889 0.409 1.00 0.15 N ATOM 342 CA ARG A 21 -2.617 5.298 -0.776 1.00 0.19 C ATOM 343 C ARG A 21 -3.143 4.067 -1.500 1.00 0.14 C ATOM 344 O ARG A 21 -4.340 3.949 -1.766 1.00 0.16 O ATOM 345 CB ARG A 21 -1.698 6.106 -1.697 1.00 0.28 C ATOM 346 CG ARG A 21 -2.350 6.616 -2.969 1.00 0.90 C ATOM 347 CD ARG A 21 -1.327 7.318 -3.849 1.00 0.92 C ATOM 348 NE ARG A 21 -1.913 7.845 -5.080 1.00 1.52 N ATOM 349 CZ ARG A 21 -1.205 8.381 -6.075 1.00 1.91 C ATOM 350 NH1 ARG A 21 0.124 8.413 -6.018 1.00 1.87 N1+ ATOM 351 NH2 ARG A 21 -1.824 8.870 -7.142 1.00 2.78 N ATOM 352 H ARG A 21 -0.966 5.250 0.543 1.00 0.17 H ATOM 353 HA ARG A 21 -3.446 5.913 -0.464 1.00 0.24 H ATOM 354 HB2 ARG A 21 -1.327 6.958 -1.150 1.00 0.71 H ATOM 355 HB3 ARG A 21 -0.861 5.484 -1.977 1.00 0.85 H ATOM 356 HG2 ARG A 21 -2.771 5.782 -3.511 1.00 1.39 H ATOM 357 HG3 ARG A 21 -3.132 7.316 -2.710 1.00 1.31 H ATOM 358 HD2 ARG A 21 -0.892 8.135 -3.293 1.00 1.26 H ATOM 359 HD3 ARG A 21 -0.552 6.611 -4.105 1.00 1.23 H ATOM 360 HE ARG A 21 -2.894 7.809 -5.161 1.00 2.02 H ATOM 361 HH11 ARG A 21 0.614 8.031 -5.220 1.00 1.76 H ATOM 362 HH12 ARG A 21 0.648 8.822 -6.770 1.00 2.33 H ATOM 363 HH21 ARG A 21 -2.825 8.839 -7.205 1.00 3.23 H ATOM 364 HH22 ARG A 21 -1.293 9.277 -7.892 1.00 3.13 H ATOM 365 N HIS A 22 -2.236 3.138 -1.772 1.00 0.11 N ATOM 366 CA HIS A 22 -2.581 1.882 -2.408 1.00 0.09 C ATOM 367 C HIS A 22 -3.647 1.143 -1.607 1.00 0.11 C ATOM 368 O HIS A 22 -4.659 0.721 -2.155 1.00 0.15 O ATOM 369 CB HIS A 22 -1.332 1.005 -2.551 1.00 0.11 C ATOM 370 CG HIS A 22 -1.641 -0.416 -2.899 1.00 0.11 C ATOM 371 ND1 HIS A 22 -1.799 -0.886 -4.196 1.00 0.18 N ATOM 372 CD2 HIS A 22 -1.897 -1.469 -2.081 1.00 0.11 C ATOM 373 CE1 HIS A 22 -2.155 -2.180 -4.120 1.00 0.21 C ATOM 374 NE2 HIS A 22 -2.220 -2.545 -2.868 1.00 0.15 N ATOM 375 H HIS A 22 -1.298 3.305 -1.533 1.00 0.13 H ATOM 376 HA HIS A 22 -2.971 2.101 -3.389 1.00 0.11 H ATOM 377 HB2 HIS A 22 -0.703 1.410 -3.327 1.00 0.14 H ATOM 378 HB3 HIS A 22 -0.790 1.007 -1.616 1.00 0.12 H ATOM 379 HD1 HIS A 22 -1.686 -0.362 -5.020 1.00 0.24 H ATOM 380 HD2 HIS A 22 -1.837 -1.475 -1.003 1.00 0.14 H ATOM 381 HE1 HIS A 22 -2.356 -2.819 -4.964 1.00 0.28 H ATOM 382 N LYS A 23 -3.412 1.002 -0.311 1.00 0.13 N ATOM 383 CA LYS A 23 -4.305 0.242 0.553 1.00 0.18 C ATOM 384 C LYS A 23 -5.709 0.831 0.577 1.00 0.17 C ATOM 385 O LYS A 23 -6.664 0.142 0.938 1.00 0.21 O ATOM 386 CB LYS A 23 -3.747 0.154 1.971 1.00 0.26 C ATOM 387 CG LYS A 23 -2.532 -0.750 2.097 1.00 0.57 C ATOM 388 CD LYS A 23 -2.067 -0.852 3.535 1.00 0.99 C ATOM 389 CE LYS A 23 -0.928 -1.848 3.683 1.00 1.50 C ATOM 390 NZ LYS A 23 -0.443 -1.940 5.086 1.00 1.93 N1+ ATOM 391 H LYS A 23 -2.609 1.416 0.077 1.00 0.13 H ATOM 392 HA LYS A 23 -4.364 -0.755 0.148 1.00 0.24 H ATOM 393 HB2 LYS A 23 -3.468 1.145 2.296 1.00 0.56 H ATOM 394 HB3 LYS A 23 -4.519 -0.226 2.622 1.00 0.66 H ATOM 395 HG2 LYS A 23 -2.787 -1.736 1.740 1.00 1.21 H ATOM 396 HG3 LYS A 23 -1.729 -0.344 1.497 1.00 1.27 H ATOM 397 HD2 LYS A 23 -1.729 0.118 3.863 1.00 1.75 H ATOM 398 HD3 LYS A 23 -2.896 -1.174 4.147 1.00 1.44 H ATOM 399 HE2 LYS A 23 -1.275 -2.822 3.368 1.00 1.79 H ATOM 400 HE3 LYS A 23 -0.112 -1.535 3.050 1.00 2.05 H ATOM 401 HZ1 LYS A 23 -0.047 -1.030 5.390 1.00 2.29 H ATOM 402 HZ2 LYS A 23 0.294 -2.669 5.165 1.00 2.36 H ATOM 403 HZ3 LYS A 23 -1.228 -2.191 5.721 1.00 2.11 H ATOM 404 N ARG A 24 -5.845 2.093 0.171 1.00 0.17 N ATOM 405 CA ARG A 24 -7.158 2.723 0.092 1.00 0.23 C ATOM 406 C ARG A 24 -8.040 2.027 -0.951 1.00 0.22 C ATOM 407 O ARG A 24 -9.261 2.199 -0.958 1.00 0.33 O ATOM 408 CB ARG A 24 -7.033 4.217 -0.226 1.00 0.34 C ATOM 409 CG ARG A 24 -6.358 5.021 0.874 1.00 0.92 C ATOM 410 CD ARG A 24 -6.435 6.519 0.607 1.00 0.92 C ATOM 411 NE ARG A 24 -7.795 7.036 0.769 1.00 1.57 N ATOM 412 CZ ARG A 24 -8.106 8.332 0.773 1.00 1.89 C ATOM 413 NH1 ARG A 24 -7.161 9.246 0.592 1.00 1.57 N1+ ATOM 414 NH2 ARG A 24 -9.363 8.713 0.953 1.00 2.84 N ATOM 415 H ARG A 24 -5.040 2.612 -0.074 1.00 0.18 H ATOM 416 HA ARG A 24 -7.625 2.613 1.060 1.00 0.28 H ATOM 417 HB2 ARG A 24 -6.453 4.332 -1.131 1.00 0.81 H ATOM 418 HB3 ARG A 24 -8.018 4.624 -0.388 1.00 0.82 H ATOM 419 HG2 ARG A 24 -6.848 4.809 1.811 1.00 1.39 H ATOM 420 HG3 ARG A 24 -5.321 4.729 0.935 1.00 1.39 H ATOM 421 HD2 ARG A 24 -5.783 7.031 1.299 1.00 1.14 H ATOM 422 HD3 ARG A 24 -6.107 6.710 -0.404 1.00 1.40 H ATOM 423 HE ARG A 24 -8.515 6.376 0.895 1.00 2.11 H ATOM 424 HH11 ARG A 24 -7.393 10.224 0.594 1.00 1.94 H ATOM 425 HH12 ARG A 24 -6.212 8.965 0.447 1.00 1.49 H ATOM 426 HH21 ARG A 24 -9.602 9.688 0.958 1.00 3.18 H ATOM 427 HH22 ARG A 24 -10.085 8.026 1.079 1.00 3.39 H ATOM 428 N THR A 25 -7.425 1.238 -1.827 1.00 0.21 N ATOM 429 CA THR A 25 -8.178 0.462 -2.801 1.00 0.27 C ATOM 430 C THR A 25 -8.782 -0.774 -2.144 1.00 0.26 C ATOM 431 O THR A 25 -9.802 -1.298 -2.596 1.00 0.34 O ATOM 432 CB THR A 25 -7.309 0.037 -4.005 1.00 0.37 C ATOM 433 OG1 THR A 25 -6.209 -0.777 -3.575 1.00 1.28 O ATOM 434 CG2 THR A 25 -6.783 1.255 -4.744 1.00 1.04 C ATOM 435 H THR A 25 -6.443 1.182 -1.821 1.00 0.23 H ATOM 436 HA THR A 25 -8.981 1.087 -3.168 1.00 0.29 H ATOM 437 HB THR A 25 -7.923 -0.536 -4.683 1.00 0.93 H ATOM 438 HG1 THR A 25 -5.596 -0.246 -3.048 1.00 1.45 H ATOM 439 HG21 THR A 25 -6.171 0.938 -5.575 1.00 1.50 H ATOM 440 HG22 THR A 25 -6.192 1.857 -4.071 1.00 1.73 H ATOM 441 HG23 THR A 25 -7.615 1.837 -5.113 1.00 1.63 H ATOM 442 N HIS A 26 -8.153 -1.230 -1.065 1.00 0.22 N ATOM 443 CA HIS A 26 -8.655 -2.372 -0.318 1.00 0.25 C ATOM 444 C HIS A 26 -9.666 -1.903 0.720 1.00 0.32 C ATOM 445 O HIS A 26 -10.810 -2.355 0.736 1.00 0.40 O ATOM 446 CB HIS A 26 -7.518 -3.136 0.375 1.00 0.27 C ATOM 447 CG HIS A 26 -6.501 -3.732 -0.554 1.00 0.23 C ATOM 448 ND1 HIS A 26 -6.778 -4.722 -1.491 1.00 0.26 N ATOM 449 CD2 HIS A 26 -5.170 -3.479 -0.657 1.00 0.20 C ATOM 450 CE1 HIS A 26 -5.623 -5.032 -2.117 1.00 0.26 C ATOM 451 NE2 HIS A 26 -4.650 -4.302 -1.635 1.00 0.21 N ATOM 452 H HIS A 26 -7.337 -0.779 -0.758 1.00 0.22 H ATOM 453 HA HIS A 26 -9.150 -3.028 -1.015 1.00 0.30 H ATOM 454 HB2 HIS A 26 -6.996 -2.463 1.037 1.00 0.30 H ATOM 455 HB3 HIS A 26 -7.942 -3.941 0.957 1.00 0.34 H ATOM 456 HD1 HIS A 26 -7.656 -5.128 -1.661 1.00 0.30 H ATOM 457 HD2 HIS A 26 -4.605 -2.769 -0.073 1.00 0.20 H ATOM 458 HE1 HIS A 26 -5.515 -5.777 -2.890 1.00 0.32 H ATOM 459 N THR A 27 -9.246 -0.975 1.571 1.00 0.46 N ATOM 460 CA THR A 27 -10.112 -0.447 2.610 1.00 0.61 C ATOM 461 C THR A 27 -11.044 0.615 2.039 1.00 1.09 C ATOM 462 O THR A 27 -10.632 1.750 1.788 1.00 1.74 O ATOM 463 CB THR A 27 -9.295 0.147 3.773 1.00 1.38 C ATOM 464 OG1 THR A 27 -8.289 1.033 3.263 1.00 2.22 O ATOM 465 CG2 THR A 27 -8.639 -0.956 4.595 1.00 2.01 C ATOM 466 H THR A 27 -8.330 -0.628 1.493 1.00 0.53 H ATOM 467 HA THR A 27 -10.707 -1.263 2.995 1.00 1.04 H ATOM 468 HB THR A 27 -9.962 0.704 4.414 1.00 1.93 H ATOM 469 HG1 THR A 27 -8.715 1.737 2.759 1.00 2.59 H ATOM 470 HG21 THR A 27 -9.402 -1.600 5.005 1.00 2.64 H ATOM 471 HG22 THR A 27 -8.068 -0.515 5.399 1.00 2.34 H ATOM 472 HG23 THR A 27 -7.983 -1.534 3.962 1.00 2.33 H ATOM 473 N GLY A 28 -12.290 0.230 1.810 1.00 1.76 N ATOM 474 CA GLY A 28 -13.254 1.140 1.227 1.00 2.63 C ATOM 475 C GLY A 28 -13.552 0.788 -0.212 1.00 2.96 C ATOM 476 O GLY A 28 -14.580 1.191 -0.756 1.00 3.50 O ATOM 477 H GLY A 28 -12.560 -0.686 2.040 1.00 2.05 H ATOM 478 HA2 GLY A 28 -14.169 1.094 1.798 1.00 3.01 H ATOM 479 HA3 GLY A 28 -12.860 2.145 1.270 1.00 3.11 H ATOM 480 N GLU A 29 -12.641 0.028 -0.820 1.00 3.27 N ATOM 481 CA GLU A 29 -12.790 -0.437 -2.199 1.00 3.97 C ATOM 482 C GLU A 29 -12.888 0.746 -3.171 1.00 4.68 C ATOM 483 O GLU A 29 -13.557 0.678 -4.201 1.00 5.51 O ATOM 484 CB GLU A 29 -14.021 -1.350 -2.307 1.00 4.55 C ATOM 485 CG GLU A 29 -14.128 -2.102 -3.625 1.00 5.26 C ATOM 486 CD GLU A 29 -15.284 -3.075 -3.641 1.00 6.09 C ATOM 487 OE1 GLU A 29 -16.441 -2.639 -3.830 1.00 6.58 O ATOM 488 OE2 GLU A 29 -15.046 -4.285 -3.463 1.00 6.49 O1- ATOM 489 H GLU A 29 -11.845 -0.238 -0.318 1.00 3.40 H ATOM 490 HA GLU A 29 -11.908 -1.010 -2.448 1.00 4.05 H ATOM 491 HB2 GLU A 29 -13.987 -2.075 -1.507 1.00 4.68 H ATOM 492 HB3 GLU A 29 -14.909 -0.746 -2.191 1.00 4.82 H ATOM 493 HG2 GLU A 29 -14.266 -1.387 -4.421 1.00 5.48 H ATOM 494 HG3 GLU A 29 -13.211 -2.649 -3.788 1.00 5.34 H ATOM 495 N LYS A 30 -12.205 1.831 -2.844 1.00 4.75 N ATOM 496 CA LYS A 30 -12.236 3.019 -3.681 1.00 5.79 C ATOM 497 C LYS A 30 -10.892 3.211 -4.380 1.00 6.33 C ATOM 498 O LYS A 30 -10.734 2.860 -5.548 1.00 7.00 O ATOM 499 CB LYS A 30 -12.597 4.252 -2.845 1.00 6.19 C ATOM 500 CG LYS A 30 -12.729 5.530 -3.656 1.00 6.60 C ATOM 501 CD LYS A 30 -13.028 6.724 -2.764 1.00 7.40 C ATOM 502 CE LYS A 30 -13.049 8.019 -3.560 1.00 8.28 C ATOM 503 NZ LYS A 30 -13.254 9.204 -2.689 1.00 8.46 N1+ ATOM 504 H LYS A 30 -11.664 1.830 -2.028 1.00 4.36 H ATOM 505 HA LYS A 30 -12.996 2.869 -4.434 1.00 6.29 H ATOM 506 HB2 LYS A 30 -13.537 4.071 -2.346 1.00 5.94 H ATOM 507 HB3 LYS A 30 -11.831 4.402 -2.103 1.00 6.82 H ATOM 508 HG2 LYS A 30 -11.805 5.708 -4.184 1.00 6.55 H ATOM 509 HG3 LYS A 30 -13.535 5.412 -4.365 1.00 6.72 H ATOM 510 HD2 LYS A 30 -13.992 6.584 -2.299 1.00 7.64 H ATOM 511 HD3 LYS A 30 -12.266 6.793 -2.003 1.00 7.39 H ATOM 512 HE2 LYS A 30 -12.108 8.123 -4.077 1.00 8.70 H ATOM 513 HE3 LYS A 30 -13.850 7.969 -4.280 1.00 8.65 H ATOM 514 HZ1 LYS A 30 -12.510 9.252 -1.966 1.00 8.39 H ATOM 515 HZ2 LYS A 30 -14.177 9.149 -2.217 1.00 8.58 H ATOM 516 HZ3 LYS A 30 -13.223 10.075 -3.258 1.00 8.79 H HETATM 517 N NH2 A 31 -9.923 3.757 -3.665 1.00 6.36 N HETATM 518 HN1 NH2 A 31 -10.117 4.014 -2.740 1.00 6.02 H HETATM 519 HN2 NH2 A 31 -9.050 3.887 -4.094 1.00 6.91 H TER 520 NH2 A 31 HETATM 521 ZN ZN A 101 -2.733 -4.347 -2.197 1.00 0.19 ZN