ATOM 1 N ARG A 1 13.664 0.380 3.578 1.00 1.54 N ATOM 2 CA ARG A 1 12.532 -0.130 4.384 1.00 1.34 C ATOM 3 C ARG A 1 11.550 -0.869 3.485 1.00 1.09 C ATOM 4 O ARG A 1 10.977 -0.281 2.568 1.00 1.12 O ATOM 5 CB ARG A 1 11.821 1.021 5.105 1.00 1.63 C ATOM 6 CG ARG A 1 12.720 1.794 6.059 1.00 1.96 C ATOM 7 CD ARG A 1 11.949 2.871 6.810 1.00 2.20 C ATOM 8 NE ARG A 1 12.819 3.639 7.702 1.00 2.98 N ATOM 9 CZ ARG A 1 12.383 4.507 8.618 1.00 3.58 C ATOM 10 NH1 ARG A 1 11.081 4.718 8.778 1.00 3.70 N1+ ATOM 11 NH2 ARG A 1 13.253 5.161 9.382 1.00 4.45 N ATOM 12 H1 ARG A 1 14.143 -0.411 3.100 1.00 1.71 H ATOM 13 H2 ARG A 1 14.350 0.866 4.185 1.00 1.93 H ATOM 14 H3 ARG A 1 13.320 1.043 2.859 1.00 1.99 H ATOM 15 HA ARG A 1 12.922 -0.820 5.115 1.00 1.38 H ATOM 16 HB2 ARG A 1 11.439 1.711 4.368 1.00 2.01 H ATOM 17 HB3 ARG A 1 10.994 0.618 5.670 1.00 2.09 H ATOM 18 HG2 ARG A 1 13.144 1.104 6.773 1.00 2.29 H ATOM 19 HG3 ARG A 1 13.513 2.259 5.493 1.00 2.52 H ATOM 20 HD2 ARG A 1 11.499 3.543 6.092 1.00 2.77 H ATOM 21 HD3 ARG A 1 11.172 2.401 7.396 1.00 1.89 H ATOM 22 HE ARG A 1 13.788 3.499 7.610 1.00 3.39 H ATOM 23 HH11 ARG A 1 10.416 4.226 8.208 1.00 3.42 H ATOM 24 HH12 ARG A 1 10.757 5.371 9.465 1.00 4.36 H ATOM 25 HH21 ARG A 1 12.927 5.813 10.072 1.00 4.96 H ATOM 26 HH22 ARG A 1 14.238 5.005 9.275 1.00 4.79 H ATOM 27 N PRO A 2 11.362 -2.176 3.715 1.00 0.92 N ATOM 28 CA PRO A 2 10.462 -2.997 2.905 1.00 0.80 C ATOM 29 C PRO A 2 8.995 -2.795 3.273 1.00 0.68 C ATOM 30 O PRO A 2 8.589 -3.040 4.408 1.00 1.00 O ATOM 31 CB PRO A 2 10.904 -4.422 3.235 1.00 0.93 C ATOM 32 CG PRO A 2 11.424 -4.342 4.629 1.00 0.95 C ATOM 33 CD PRO A 2 12.018 -2.963 4.781 1.00 0.99 C ATOM 34 HA PRO A 2 10.599 -2.809 1.851 1.00 0.86 H ATOM 35 HB2 PRO A 2 10.056 -5.090 3.165 1.00 1.03 H ATOM 36 HB3 PRO A 2 11.675 -4.733 2.544 1.00 1.16 H ATOM 37 HG2 PRO A 2 10.614 -4.480 5.330 1.00 1.14 H ATOM 38 HG3 PRO A 2 12.183 -5.095 4.782 1.00 1.10 H ATOM 39 HD2 PRO A 2 11.786 -2.559 5.756 1.00 1.15 H ATOM 40 HD3 PRO A 2 13.089 -2.996 4.630 1.00 1.05 H ATOM 41 N PHE A 3 8.205 -2.335 2.316 1.00 0.35 N ATOM 42 CA PHE A 3 6.777 -2.175 2.527 1.00 0.28 C ATOM 43 C PHE A 3 6.008 -3.117 1.614 1.00 0.33 C ATOM 44 O PHE A 3 6.457 -3.432 0.511 1.00 0.66 O ATOM 45 CB PHE A 3 6.360 -0.723 2.286 1.00 0.20 C ATOM 46 CG PHE A 3 6.977 0.235 3.262 1.00 0.17 C ATOM 47 CD1 PHE A 3 8.052 1.027 2.895 1.00 0.20 C ATOM 48 CD2 PHE A 3 6.487 0.332 4.552 1.00 0.23 C ATOM 49 CE1 PHE A 3 8.628 1.899 3.798 1.00 0.23 C ATOM 50 CE2 PHE A 3 7.057 1.203 5.461 1.00 0.28 C ATOM 51 CZ PHE A 3 8.130 1.987 5.083 1.00 0.27 C ATOM 52 H PHE A 3 8.589 -2.093 1.443 1.00 0.43 H ATOM 53 HA PHE A 3 6.563 -2.435 3.553 1.00 0.34 H ATOM 54 HB2 PHE A 3 6.664 -0.428 1.293 1.00 0.21 H ATOM 55 HB3 PHE A 3 5.288 -0.643 2.371 1.00 0.27 H ATOM 56 HD1 PHE A 3 8.442 0.960 1.890 1.00 0.25 H ATOM 57 HD2 PHE A 3 5.648 -0.281 4.847 1.00 0.29 H ATOM 58 HE1 PHE A 3 9.466 2.511 3.499 1.00 0.30 H ATOM 59 HE2 PHE A 3 6.666 1.268 6.465 1.00 0.37 H ATOM 60 HZ PHE A 3 8.579 2.667 5.792 1.00 0.34 H HETATM 61 N NLE A 4 4.867 -3.590 2.084 1.00 0.15 N HETATM 62 CA NLE A 4 4.055 -4.515 1.319 1.00 0.16 C HETATM 63 C NLE A 4 2.603 -4.440 1.770 1.00 0.17 C HETATM 64 O NLE A 4 2.320 -4.309 2.960 1.00 0.23 O HETATM 65 CB NLE A 4 4.587 -5.935 1.505 1.00 0.23 C HETATM 66 CG NLE A 4 3.881 -6.980 0.656 1.00 0.30 C HETATM 67 CD NLE A 4 4.426 -8.369 0.929 1.00 0.42 C HETATM 68 CE NLE A 4 3.719 -9.386 0.063 1.00 0.52 C HETATM 69 H NLE A 4 4.569 -3.324 2.980 1.00 0.31 H HETATM 70 HA NLE A 4 4.120 -4.244 0.278 1.00 0.18 H HETATM 71 HB2 NLE A 4 4.475 -6.210 2.542 1.00 0.26 H HETATM 72 HB3 NLE A 4 5.634 -5.947 1.251 1.00 0.25 H HETATM 73 HG2 NLE A 4 4.029 -6.742 -0.387 1.00 0.32 H HETATM 74 HG3 NLE A 4 2.824 -6.965 0.886 1.00 0.30 H HETATM 75 HD2 NLE A 4 4.265 -8.622 1.967 1.00 0.44 H HETATM 76 HD3 NLE A 4 5.481 -8.391 0.701 1.00 0.45 H HETATM 77 HE1 NLE A 4 3.884 -9.149 -0.978 1.00 1.23 H HETATM 78 HE2 NLE A 4 2.662 -9.364 0.274 1.00 1.06 H HETATM 79 HE3 NLE A 4 4.108 -10.371 0.274 1.00 1.10 H ATOM 80 N CYS A 5 1.688 -4.502 0.818 1.00 0.16 N ATOM 81 CA CYS A 5 0.276 -4.541 1.140 1.00 0.19 C ATOM 82 C CYS A 5 -0.107 -5.939 1.619 1.00 0.26 C ATOM 83 O CYS A 5 0.219 -6.943 0.979 1.00 0.38 O ATOM 84 CB CYS A 5 -0.566 -4.120 -0.066 1.00 0.25 C ATOM 85 SG CYS A 5 -2.341 -4.354 0.163 1.00 0.26 S ATOM 86 H CYS A 5 1.971 -4.531 -0.123 1.00 0.19 H ATOM 87 HA CYS A 5 0.105 -3.843 1.945 1.00 0.24 H ATOM 88 HB2 CYS A 5 -0.400 -3.071 -0.260 1.00 0.33 H ATOM 89 HB3 CYS A 5 -0.265 -4.693 -0.928 1.00 0.32 H ATOM 90 N THR A 6 -0.779 -6.000 2.759 1.00 0.37 N ATOM 91 CA THR A 6 -1.154 -7.268 3.360 1.00 0.52 C ATOM 92 C THR A 6 -2.665 -7.481 3.276 1.00 0.45 C ATOM 93 O THR A 6 -3.227 -8.329 3.973 1.00 0.57 O ATOM 94 CB THR A 6 -0.684 -7.343 4.835 1.00 0.76 C ATOM 95 OG1 THR A 6 -1.040 -8.607 5.416 1.00 1.70 O ATOM 96 CG2 THR A 6 -1.286 -6.212 5.659 1.00 1.00 C ATOM 97 H THR A 6 -1.034 -5.165 3.207 1.00 0.43 H ATOM 98 HA THR A 6 -0.663 -8.054 2.808 1.00 0.61 H ATOM 99 HB THR A 6 0.392 -7.242 4.853 1.00 1.24 H ATOM 100 HG1 THR A 6 -1.904 -8.880 5.075 1.00 2.12 H ATOM 101 HG21 THR A 6 -0.996 -5.263 5.233 1.00 1.62 H ATOM 102 HG22 THR A 6 -0.927 -6.276 6.676 1.00 1.60 H ATOM 103 HG23 THR A 6 -2.362 -6.295 5.651 1.00 1.48 H ATOM 104 N TRP A 7 -3.322 -6.719 2.415 1.00 0.34 N ATOM 105 CA TRP A 7 -4.757 -6.849 2.248 1.00 0.42 C ATOM 106 C TRP A 7 -5.064 -8.007 1.308 1.00 0.51 C ATOM 107 O TRP A 7 -4.575 -8.035 0.181 1.00 0.54 O ATOM 108 CB TRP A 7 -5.359 -5.555 1.694 1.00 0.47 C ATOM 109 CG TRP A 7 -6.859 -5.556 1.679 1.00 0.68 C ATOM 110 CD1 TRP A 7 -7.683 -5.007 2.616 1.00 0.82 C ATOM 111 CD2 TRP A 7 -7.715 -6.141 0.686 1.00 0.83 C ATOM 112 NE1 TRP A 7 -8.995 -5.206 2.266 1.00 1.02 N ATOM 113 CE2 TRP A 7 -9.041 -5.902 1.087 1.00 1.02 C ATOM 114 CE3 TRP A 7 -7.488 -6.842 -0.501 1.00 0.90 C ATOM 115 CZ2 TRP A 7 -10.134 -6.338 0.340 1.00 1.23 C ATOM 116 CZ3 TRP A 7 -8.571 -7.272 -1.239 1.00 1.12 C ATOM 117 CH2 TRP A 7 -9.879 -7.020 -0.817 1.00 1.26 C ATOM 118 H TRP A 7 -2.831 -6.066 1.873 1.00 0.30 H ATOM 119 HA TRP A 7 -5.189 -7.056 3.214 1.00 0.47 H ATOM 120 HB2 TRP A 7 -5.031 -4.725 2.301 1.00 0.45 H ATOM 121 HB3 TRP A 7 -5.014 -5.409 0.679 1.00 0.45 H ATOM 122 HD1 TRP A 7 -7.340 -4.491 3.499 1.00 0.83 H ATOM 123 HE1 TRP A 7 -9.772 -4.899 2.779 1.00 1.16 H ATOM 124 HE3 TRP A 7 -6.485 -7.049 -0.844 1.00 0.81 H ATOM 125 HZ2 TRP A 7 -11.150 -6.151 0.652 1.00 1.38 H ATOM 126 HZ3 TRP A 7 -8.413 -7.816 -2.158 1.00 1.21 H ATOM 127 HH2 TRP A 7 -10.695 -7.376 -1.426 1.00 1.43 H HETATM 128 N DPR A 8 -5.875 -8.976 1.764 1.00 0.61 N HETATM 129 CA DPR A 8 -6.293 -10.123 0.950 1.00 0.73 C HETATM 130 CB DPR A 8 -6.906 -11.075 1.970 1.00 0.85 C HETATM 131 CG DPR A 8 -7.410 -10.186 3.052 1.00 0.81 C HETATM 132 CD DPR A 8 -6.455 -9.025 3.119 1.00 0.64 C HETATM 133 C DPR A 8 -5.124 -10.782 0.216 1.00 0.75 C HETATM 134 O DPR A 8 -4.068 -11.040 0.803 1.00 0.81 O HETATM 135 HA DPR A 8 -7.049 -9.841 0.235 1.00 0.76 H HETATM 136 HB2 DPR A 8 -7.708 -11.633 1.508 1.00 0.98 H HETATM 137 HB3 DPR A 8 -6.148 -11.753 2.336 1.00 0.87 H HETATM 138 HG2 DPR A 8 -8.404 -9.839 2.808 1.00 0.89 H HETATM 139 HG3 DPR A 8 -7.417 -10.718 3.992 1.00 0.85 H HETATM 140 HD2 DPR A 8 -6.986 -8.110 3.343 1.00 0.67 H HETATM 141 HD3 DPR A 8 -5.690 -9.208 3.858 1.00 0.58 H ATOM 142 N GLY A 9 -5.321 -11.031 -1.072 1.00 0.77 N ATOM 143 CA GLY A 9 -4.263 -11.559 -1.908 1.00 0.83 C ATOM 144 C GLY A 9 -3.594 -10.458 -2.700 1.00 0.70 C ATOM 145 O GLY A 9 -3.006 -10.697 -3.753 1.00 0.78 O ATOM 146 H GLY A 9 -6.203 -10.851 -1.465 1.00 0.78 H ATOM 147 HA2 GLY A 9 -3.529 -12.042 -1.283 1.00 0.89 H ATOM 148 HA3 GLY A 9 -4.679 -12.283 -2.594 1.00 0.94 H ATOM 149 N CYS A 10 -3.703 -9.242 -2.188 1.00 0.55 N ATOM 150 CA CYS A 10 -3.128 -8.076 -2.830 1.00 0.44 C ATOM 151 C CYS A 10 -1.701 -7.847 -2.333 1.00 0.48 C ATOM 152 O CYS A 10 -1.408 -6.860 -1.658 1.00 0.94 O ATOM 153 CB CYS A 10 -4.016 -6.861 -2.545 1.00 0.34 C ATOM 154 SG CYS A 10 -3.470 -5.326 -3.314 1.00 0.33 S ATOM 155 H CYS A 10 -4.185 -9.124 -1.338 1.00 0.55 H ATOM 156 HA CYS A 10 -3.107 -8.255 -3.892 1.00 0.47 H ATOM 157 HB2 CYS A 10 -5.014 -7.066 -2.903 1.00 0.37 H ATOM 158 HB3 CYS A 10 -4.052 -6.697 -1.478 1.00 0.34 H ATOM 159 N GLY A 11 -0.812 -8.767 -2.681 1.00 0.40 N ATOM 160 CA GLY A 11 0.559 -8.697 -2.218 1.00 0.34 C ATOM 161 C GLY A 11 1.425 -7.805 -3.085 1.00 0.30 C ATOM 162 O GLY A 11 2.401 -8.265 -3.683 1.00 0.43 O ATOM 163 H GLY A 11 -1.090 -9.502 -3.267 1.00 0.73 H ATOM 164 HA2 GLY A 11 0.565 -8.315 -1.208 1.00 0.31 H ATOM 165 HA3 GLY A 11 0.975 -9.694 -2.217 1.00 0.41 H ATOM 166 N LYS A 12 1.062 -6.535 -3.163 1.00 0.25 N ATOM 167 CA LYS A 12 1.844 -5.560 -3.910 1.00 0.25 C ATOM 168 C LYS A 12 2.932 -4.969 -3.016 1.00 0.19 C ATOM 169 O LYS A 12 2.685 -4.652 -1.851 1.00 0.20 O ATOM 170 CB LYS A 12 0.937 -4.456 -4.467 1.00 0.32 C ATOM 171 CG LYS A 12 1.674 -3.433 -5.318 1.00 0.37 C ATOM 172 CD LYS A 12 0.709 -2.513 -6.049 1.00 0.63 C ATOM 173 CE LYS A 12 1.444 -1.441 -6.843 1.00 0.95 C ATOM 174 NZ LYS A 12 2.379 -2.018 -7.846 1.00 1.57 N1+ ATOM 175 H LYS A 12 0.244 -6.246 -2.705 1.00 0.32 H ATOM 176 HA LYS A 12 2.315 -6.077 -4.731 1.00 0.31 H ATOM 177 HB2 LYS A 12 0.167 -4.908 -5.075 1.00 0.44 H ATOM 178 HB3 LYS A 12 0.472 -3.935 -3.641 1.00 0.32 H ATOM 179 HG2 LYS A 12 2.306 -2.838 -4.675 1.00 0.85 H ATOM 180 HG3 LYS A 12 2.281 -3.954 -6.043 1.00 0.78 H ATOM 181 HD2 LYS A 12 0.112 -3.102 -6.729 1.00 1.25 H ATOM 182 HD3 LYS A 12 0.066 -2.034 -5.326 1.00 1.28 H ATOM 183 HE2 LYS A 12 0.716 -0.833 -7.356 1.00 1.66 H ATOM 184 HE3 LYS A 12 2.003 -0.823 -6.155 1.00 1.47 H ATOM 185 HZ1 LYS A 12 2.862 -1.252 -8.361 1.00 2.26 H ATOM 186 HZ2 LYS A 12 1.858 -2.603 -8.529 1.00 1.93 H ATOM 187 HZ3 LYS A 12 3.094 -2.608 -7.378 1.00 1.96 H ATOM 188 N ARG A 13 4.132 -4.834 -3.565 1.00 0.19 N ATOM 189 CA ARG A 13 5.286 -4.392 -2.792 1.00 0.17 C ATOM 190 C ARG A 13 5.578 -2.913 -3.009 1.00 0.14 C ATOM 191 O ARG A 13 5.354 -2.374 -4.096 1.00 0.22 O ATOM 192 CB ARG A 13 6.516 -5.217 -3.164 1.00 0.25 C ATOM 193 CG ARG A 13 6.384 -6.690 -2.816 1.00 0.35 C ATOM 194 CD ARG A 13 7.553 -7.494 -3.359 1.00 0.46 C ATOM 195 NE ARG A 13 7.448 -8.909 -3.013 1.00 1.40 N ATOM 196 CZ ARG A 13 7.875 -9.898 -3.796 1.00 1.98 C ATOM 197 NH1 ARG A 13 8.410 -9.625 -4.981 1.00 1.93 N1+ ATOM 198 NH2 ARG A 13 7.762 -11.158 -3.398 1.00 3.11 N ATOM 199 H ARG A 13 4.244 -5.034 -4.518 1.00 0.24 H ATOM 200 HA ARG A 13 5.064 -4.551 -1.748 1.00 0.18 H ATOM 201 HB2 ARG A 13 6.681 -5.134 -4.228 1.00 0.30 H ATOM 202 HB3 ARG A 13 7.373 -4.820 -2.643 1.00 0.26 H ATOM 203 HG2 ARG A 13 6.354 -6.796 -1.740 1.00 0.40 H ATOM 204 HG3 ARG A 13 5.467 -7.068 -3.241 1.00 0.41 H ATOM 205 HD2 ARG A 13 7.569 -7.397 -4.433 1.00 1.18 H ATOM 206 HD3 ARG A 13 8.471 -7.099 -2.947 1.00 1.11 H ATOM 207 HE ARG A 13 7.050 -9.132 -2.141 1.00 2.06 H ATOM 208 HH11 ARG A 13 8.732 -10.370 -5.573 1.00 2.53 H ATOM 209 HH12 ARG A 13 8.496 -8.676 -5.293 1.00 1.78 H ATOM 210 HH21 ARG A 13 7.355 -11.373 -2.506 1.00 3.65 H ATOM 211 HH22 ARG A 13 8.083 -11.903 -3.987 1.00 3.57 H ATOM 212 N PHE A 14 6.080 -2.269 -1.965 1.00 0.13 N ATOM 213 CA PHE A 14 6.414 -0.854 -2.004 1.00 0.15 C ATOM 214 C PHE A 14 7.734 -0.607 -1.284 1.00 0.18 C ATOM 215 O PHE A 14 8.130 -1.375 -0.408 1.00 0.32 O ATOM 216 CB PHE A 14 5.311 -0.035 -1.333 1.00 0.20 C ATOM 217 CG PHE A 14 3.961 -0.251 -1.940 1.00 0.20 C ATOM 218 CD1 PHE A 14 3.100 -1.196 -1.418 1.00 0.25 C ATOM 219 CD2 PHE A 14 3.550 0.502 -3.025 1.00 0.23 C ATOM 220 CE1 PHE A 14 1.849 -1.386 -1.966 1.00 0.29 C ATOM 221 CE2 PHE A 14 2.302 0.316 -3.578 1.00 0.27 C ATOM 222 CZ PHE A 14 1.473 -0.674 -3.081 1.00 0.29 C ATOM 223 H PHE A 14 6.233 -2.764 -1.130 1.00 0.19 H ATOM 224 HA PHE A 14 6.502 -0.555 -3.037 1.00 0.16 H ATOM 225 HB2 PHE A 14 5.255 -0.310 -0.291 1.00 0.23 H ATOM 226 HB3 PHE A 14 5.551 1.016 -1.414 1.00 0.23 H ATOM 227 HD1 PHE A 14 3.413 -1.785 -0.572 1.00 0.28 H ATOM 228 HD2 PHE A 14 4.219 1.242 -3.439 1.00 0.26 H ATOM 229 HE1 PHE A 14 1.183 -2.127 -1.549 1.00 0.35 H ATOM 230 HE2 PHE A 14 1.988 0.912 -4.422 1.00 0.32 H ATOM 231 HZ PHE A 14 0.504 -0.842 -3.527 1.00 0.33 H ATOM 232 N THR A 15 8.415 0.457 -1.661 1.00 0.14 N ATOM 233 CA THR A 15 9.643 0.846 -0.994 1.00 0.17 C ATOM 234 C THR A 15 9.414 2.126 -0.190 1.00 0.17 C ATOM 235 O THR A 15 10.246 2.533 0.620 1.00 0.32 O ATOM 236 CB THR A 15 10.770 1.055 -2.021 1.00 0.27 C ATOM 237 OG1 THR A 15 10.803 -0.062 -2.922 1.00 1.05 O ATOM 238 CG2 THR A 15 12.128 1.194 -1.343 1.00 1.06 C ATOM 239 H THR A 15 8.093 0.992 -2.416 1.00 0.21 H ATOM 240 HA THR A 15 9.929 0.050 -0.320 1.00 0.20 H ATOM 241 HB THR A 15 10.565 1.957 -2.580 1.00 0.70 H ATOM 242 HG1 THR A 15 10.366 -0.822 -2.507 1.00 1.53 H ATOM 243 HG21 THR A 15 12.352 0.289 -0.797 1.00 1.71 H ATOM 244 HG22 THR A 15 12.105 2.029 -0.658 1.00 1.61 H ATOM 245 HG23 THR A 15 12.889 1.361 -2.089 1.00 1.54 H ATOM 246 N ARG A 16 8.266 2.752 -0.417 1.00 0.16 N ATOM 247 CA ARG A 16 7.899 3.963 0.300 1.00 0.19 C ATOM 248 C ARG A 16 6.595 3.750 1.063 1.00 0.12 C ATOM 249 O ARG A 16 5.629 3.198 0.524 1.00 0.13 O ATOM 250 CB ARG A 16 7.733 5.121 -0.681 1.00 0.34 C ATOM 251 CG ARG A 16 8.942 5.361 -1.565 1.00 0.50 C ATOM 252 CD ARG A 16 8.678 6.490 -2.542 1.00 0.95 C ATOM 253 NE ARG A 16 9.778 6.692 -3.479 1.00 1.65 N ATOM 254 CZ ARG A 16 9.729 7.557 -4.492 1.00 2.28 C ATOM 255 NH1 ARG A 16 8.641 8.292 -4.684 1.00 2.39 N1+ ATOM 256 NH2 ARG A 16 10.762 7.687 -5.313 1.00 3.20 N ATOM 257 H ARG A 16 7.649 2.393 -1.089 1.00 0.27 H ATOM 258 HA ARG A 16 8.691 4.191 0.996 1.00 0.24 H ATOM 259 HB2 ARG A 16 6.888 4.915 -1.321 1.00 0.40 H ATOM 260 HB3 ARG A 16 7.538 6.026 -0.124 1.00 0.38 H ATOM 261 HG2 ARG A 16 9.784 5.623 -0.944 1.00 0.72 H ATOM 262 HG3 ARG A 16 9.159 4.458 -2.116 1.00 0.67 H ATOM 263 HD2 ARG A 16 7.785 6.258 -3.101 1.00 1.68 H ATOM 264 HD3 ARG A 16 8.523 7.400 -1.984 1.00 1.23 H ATOM 265 HE ARG A 16 10.595 6.156 -3.345 1.00 2.06 H ATOM 266 HH11 ARG A 16 7.858 8.204 -4.067 1.00 2.26 H ATOM 267 HH12 ARG A 16 8.601 8.947 -5.445 1.00 2.94 H ATOM 268 HH21 ARG A 16 11.590 7.137 -5.177 1.00 3.59 H ATOM 269 HH22 ARG A 16 10.718 8.340 -6.078 1.00 3.66 H ATOM 270 N SER A 17 6.568 4.195 2.314 1.00 0.13 N ATOM 271 CA SER A 17 5.386 4.054 3.151 1.00 0.14 C ATOM 272 C SER A 17 4.260 4.929 2.624 1.00 0.13 C ATOM 273 O SER A 17 3.092 4.558 2.687 1.00 0.18 O ATOM 274 CB SER A 17 5.714 4.423 4.598 1.00 0.23 C ATOM 275 OG SER A 17 6.335 5.695 4.670 1.00 1.25 O ATOM 276 H SER A 17 7.362 4.639 2.685 1.00 0.18 H ATOM 277 HA SER A 17 5.072 3.021 3.112 1.00 0.17 H ATOM 278 HB2 SER A 17 4.801 4.448 5.177 1.00 1.01 H ATOM 279 HB3 SER A 17 6.385 3.684 5.012 1.00 0.92 H ATOM 280 HG SER A 17 5.931 6.206 5.385 1.00 1.56 H ATOM 281 N ASP A 18 4.631 6.088 2.091 1.00 0.15 N ATOM 282 CA ASP A 18 3.671 7.007 1.485 1.00 0.23 C ATOM 283 C ASP A 18 2.962 6.342 0.312 1.00 0.19 C ATOM 284 O ASP A 18 1.752 6.488 0.139 1.00 0.21 O ATOM 285 CB ASP A 18 4.381 8.280 1.021 1.00 0.38 C ATOM 286 CG ASP A 18 3.454 9.244 0.314 1.00 1.26 C ATOM 287 OD1 ASP A 18 3.498 9.314 -0.929 1.00 1.91 O ATOM 288 OD2 ASP A 18 2.660 9.918 0.994 1.00 2.04 O1- ATOM 289 H ASP A 18 5.581 6.338 2.117 1.00 0.15 H ATOM 290 HA ASP A 18 2.936 7.265 2.233 1.00 0.29 H ATOM 291 HB2 ASP A 18 4.798 8.783 1.880 1.00 1.26 H ATOM 292 HB3 ASP A 18 5.178 8.012 0.343 1.00 1.08 H ATOM 293 N GLU A 19 3.727 5.594 -0.476 1.00 0.18 N ATOM 294 CA GLU A 19 3.178 4.838 -1.590 1.00 0.20 C ATOM 295 C GLU A 19 2.167 3.818 -1.095 1.00 0.12 C ATOM 296 O GLU A 19 1.082 3.681 -1.662 1.00 0.14 O ATOM 297 CB GLU A 19 4.293 4.129 -2.356 1.00 0.29 C ATOM 298 CG GLU A 19 5.090 5.044 -3.265 1.00 0.49 C ATOM 299 CD GLU A 19 4.297 5.477 -4.478 1.00 1.62 C ATOM 300 OE1 GLU A 19 4.092 4.643 -5.383 1.00 2.45 O ATOM 301 OE2 GLU A 19 3.878 6.649 -4.535 1.00 2.12 O1- ATOM 302 H GLU A 19 4.684 5.550 -0.299 1.00 0.18 H ATOM 303 HA GLU A 19 2.683 5.528 -2.250 1.00 0.28 H ATOM 304 HB2 GLU A 19 4.972 3.677 -1.649 1.00 0.36 H ATOM 305 HB3 GLU A 19 3.853 3.353 -2.959 1.00 0.27 H ATOM 306 HG2 GLU A 19 5.378 5.923 -2.710 1.00 0.80 H ATOM 307 HG3 GLU A 19 5.974 4.523 -3.598 1.00 0.80 H ATOM 308 N LEU A 20 2.530 3.115 -0.029 1.00 0.11 N ATOM 309 CA LEU A 20 1.650 2.123 0.572 1.00 0.12 C ATOM 310 C LEU A 20 0.395 2.782 1.146 1.00 0.11 C ATOM 311 O LEU A 20 -0.692 2.220 1.071 1.00 0.14 O ATOM 312 CB LEU A 20 2.394 1.340 1.658 1.00 0.15 C ATOM 313 CG LEU A 20 1.554 0.321 2.437 1.00 0.18 C ATOM 314 CD1 LEU A 20 0.936 -0.703 1.498 1.00 0.22 C ATOM 315 CD2 LEU A 20 2.402 -0.375 3.491 1.00 0.22 C ATOM 316 H LEU A 20 3.422 3.265 0.361 1.00 0.12 H ATOM 317 HA LEU A 20 1.352 1.438 -0.208 1.00 0.17 H ATOM 318 HB2 LEU A 20 3.214 0.812 1.189 1.00 0.19 H ATOM 319 HB3 LEU A 20 2.801 2.048 2.362 1.00 0.15 H ATOM 320 HG LEU A 20 0.751 0.839 2.941 1.00 0.17 H ATOM 321 HD11 LEU A 20 1.713 -1.171 0.914 1.00 1.07 H ATOM 322 HD12 LEU A 20 0.233 -0.213 0.839 1.00 0.96 H ATOM 323 HD13 LEU A 20 0.419 -1.454 2.077 1.00 1.05 H ATOM 324 HD21 LEU A 20 2.856 0.364 4.136 1.00 0.98 H ATOM 325 HD22 LEU A 20 3.173 -0.954 3.007 1.00 0.96 H ATOM 326 HD23 LEU A 20 1.777 -1.029 4.079 1.00 0.93 H ATOM 327 N GLN A 21 0.548 3.977 1.711 1.00 0.12 N ATOM 328 CA GLN A 21 -0.591 4.721 2.244 1.00 0.15 C ATOM 329 C GLN A 21 -1.560 5.082 1.122 1.00 0.13 C ATOM 330 O GLN A 21 -2.769 4.843 1.225 1.00 0.14 O ATOM 331 CB GLN A 21 -0.131 5.990 2.965 1.00 0.19 C ATOM 332 CG GLN A 21 0.706 5.728 4.208 1.00 0.24 C ATOM 333 CD GLN A 21 1.147 7.009 4.881 1.00 0.30 C ATOM 334 OE1 GLN A 21 2.188 7.575 4.548 1.00 1.10 O ATOM 335 NE2 GLN A 21 0.361 7.477 5.836 1.00 1.20 N ATOM 336 H GLN A 21 1.450 4.365 1.779 1.00 0.15 H ATOM 337 HA GLN A 21 -1.100 4.080 2.947 1.00 0.17 H ATOM 338 HB2 GLN A 21 0.459 6.585 2.283 1.00 0.21 H ATOM 339 HB3 GLN A 21 -1.003 6.557 3.259 1.00 0.22 H ATOM 340 HG2 GLN A 21 0.120 5.153 4.909 1.00 0.26 H ATOM 341 HG3 GLN A 21 1.584 5.166 3.927 1.00 0.25 H ATOM 342 HE21 GLN A 21 -0.453 6.973 6.054 1.00 1.96 H ATOM 343 HE22 GLN A 21 0.619 8.308 6.283 1.00 1.24 H ATOM 344 N ARG A 22 -1.016 5.651 0.047 1.00 0.13 N ATOM 345 CA ARG A 22 -1.809 5.983 -1.132 1.00 0.15 C ATOM 346 C ARG A 22 -2.545 4.745 -1.625 1.00 0.13 C ATOM 347 O ARG A 22 -3.758 4.767 -1.838 1.00 0.17 O ATOM 348 CB ARG A 22 -0.920 6.518 -2.259 1.00 0.24 C ATOM 349 CG ARG A 22 -0.181 7.805 -1.932 1.00 0.88 C ATOM 350 CD ARG A 22 0.716 8.221 -3.093 1.00 1.15 C ATOM 351 NE ARG A 22 1.452 9.453 -2.817 1.00 2.03 N ATOM 352 CZ ARG A 22 2.074 10.174 -3.751 1.00 2.63 C ATOM 353 NH1 ARG A 22 2.075 9.771 -5.019 1.00 2.75 N1+ ATOM 354 NH2 ARG A 22 2.710 11.289 -3.414 1.00 3.55 N ATOM 355 H ARG A 22 -0.053 5.852 0.048 1.00 0.15 H ATOM 356 HA ARG A 22 -2.530 6.738 -0.854 1.00 0.17 H ATOM 357 HB2 ARG A 22 -0.185 5.767 -2.503 1.00 0.82 H ATOM 358 HB3 ARG A 22 -1.535 6.695 -3.128 1.00 0.83 H ATOM 359 HG2 ARG A 22 -0.903 8.588 -1.740 1.00 1.42 H ATOM 360 HG3 ARG A 22 0.427 7.649 -1.052 1.00 1.50 H ATOM 361 HD2 ARG A 22 1.424 7.428 -3.284 1.00 1.56 H ATOM 362 HD3 ARG A 22 0.101 8.369 -3.970 1.00 1.45 H ATOM 363 HE ARG A 22 1.490 9.756 -1.883 1.00 2.51 H ATOM 364 HH11 ARG A 22 2.544 10.313 -5.722 1.00 3.38 H ATOM 365 HH12 ARG A 22 1.606 8.924 -5.278 1.00 2.55 H ATOM 366 HH21 ARG A 22 2.723 11.591 -2.457 1.00 3.95 H ATOM 367 HH22 ARG A 22 3.178 11.836 -4.111 1.00 4.02 H ATOM 368 N HIS A 23 -1.797 3.662 -1.776 1.00 0.11 N ATOM 369 CA HIS A 23 -2.345 2.400 -2.242 1.00 0.11 C ATOM 370 C HIS A 23 -3.460 1.911 -1.317 1.00 0.10 C ATOM 371 O HIS A 23 -4.529 1.522 -1.776 1.00 0.11 O ATOM 372 CB HIS A 23 -1.230 1.351 -2.335 1.00 0.15 C ATOM 373 CG HIS A 23 -1.731 -0.029 -2.605 1.00 0.14 C ATOM 374 ND1 HIS A 23 -1.807 -0.606 -3.869 1.00 0.16 N ATOM 375 CD2 HIS A 23 -2.238 -0.942 -1.739 1.00 0.14 C ATOM 376 CE1 HIS A 23 -2.361 -1.823 -3.727 1.00 0.17 C ATOM 377 NE2 HIS A 23 -2.627 -2.041 -2.465 1.00 0.16 N ATOM 378 H HIS A 23 -0.839 3.712 -1.564 1.00 0.14 H ATOM 379 HA HIS A 23 -2.754 2.560 -3.225 1.00 0.12 H ATOM 380 HB2 HIS A 23 -0.557 1.622 -3.131 1.00 0.18 H ATOM 381 HB3 HIS A 23 -0.689 1.332 -1.402 1.00 0.17 H ATOM 382 HD1 HIS A 23 -1.514 -0.194 -4.715 1.00 0.18 H ATOM 383 HD2 HIS A 23 -2.302 -0.842 -0.665 1.00 0.15 H ATOM 384 HE1 HIS A 23 -2.544 -2.521 -4.529 1.00 0.20 H ATOM 385 N LYS A 24 -3.198 1.943 -0.018 1.00 0.12 N ATOM 386 CA LYS A 24 -4.147 1.477 0.987 1.00 0.17 C ATOM 387 C LYS A 24 -5.491 2.197 0.866 1.00 0.16 C ATOM 388 O LYS A 24 -6.530 1.643 1.223 1.00 0.20 O ATOM 389 CB LYS A 24 -3.536 1.668 2.382 1.00 0.25 C ATOM 390 CG LYS A 24 -4.492 1.466 3.551 1.00 0.80 C ATOM 391 CD LYS A 24 -5.076 0.059 3.604 1.00 1.05 C ATOM 392 CE LYS A 24 -5.838 -0.163 4.902 1.00 1.87 C ATOM 393 NZ LYS A 24 -6.618 -1.429 4.897 1.00 2.20 N1+ ATOM 394 H LYS A 24 -2.328 2.288 0.281 1.00 0.12 H ATOM 395 HA LYS A 24 -4.306 0.424 0.818 1.00 0.20 H ATOM 396 HB2 LYS A 24 -2.722 0.968 2.494 1.00 0.79 H ATOM 397 HB3 LYS A 24 -3.138 2.671 2.446 1.00 0.67 H ATOM 398 HG2 LYS A 24 -3.955 1.652 4.468 1.00 1.45 H ATOM 399 HG3 LYS A 24 -5.299 2.177 3.460 1.00 1.42 H ATOM 400 HD2 LYS A 24 -5.751 -0.073 2.772 1.00 1.31 H ATOM 401 HD3 LYS A 24 -4.273 -0.660 3.538 1.00 1.49 H ATOM 402 HE2 LYS A 24 -5.131 -0.195 5.718 1.00 2.24 H ATOM 403 HE3 LYS A 24 -6.516 0.666 5.052 1.00 2.55 H ATOM 404 HZ1 LYS A 24 -6.986 -1.621 5.851 1.00 2.53 H ATOM 405 HZ2 LYS A 24 -6.020 -2.224 4.602 1.00 2.71 H ATOM 406 HZ3 LYS A 24 -7.424 -1.351 4.244 1.00 2.34 H ATOM 407 N ARG A 25 -5.471 3.409 0.322 1.00 0.16 N ATOM 408 CA ARG A 25 -6.693 4.189 0.140 1.00 0.21 C ATOM 409 C ARG A 25 -7.662 3.516 -0.836 1.00 0.14 C ATOM 410 O ARG A 25 -8.840 3.869 -0.892 1.00 0.20 O ATOM 411 CB ARG A 25 -6.363 5.594 -0.352 1.00 0.35 C ATOM 412 CG ARG A 25 -5.533 6.398 0.627 1.00 0.48 C ATOM 413 CD ARG A 25 -5.376 7.845 0.177 1.00 0.65 C ATOM 414 NE ARG A 25 -4.787 7.950 -1.161 1.00 1.61 N ATOM 415 CZ ARG A 25 -4.208 9.053 -1.630 1.00 2.01 C ATOM 416 NH1 ARG A 25 -4.135 10.139 -0.873 1.00 1.63 N1+ ATOM 417 NH2 ARG A 25 -3.708 9.071 -2.858 1.00 3.16 N ATOM 418 H ARG A 25 -4.609 3.796 0.041 1.00 0.15 H ATOM 419 HA ARG A 25 -7.173 4.264 1.105 1.00 0.28 H ATOM 420 HB2 ARG A 25 -5.809 5.514 -1.275 1.00 0.37 H ATOM 421 HB3 ARG A 25 -7.283 6.125 -0.537 1.00 0.38 H ATOM 422 HG2 ARG A 25 -6.015 6.377 1.595 1.00 0.49 H ATOM 423 HG3 ARG A 25 -4.555 5.946 0.702 1.00 0.53 H ATOM 424 HD2 ARG A 25 -6.350 8.313 0.164 1.00 1.17 H ATOM 425 HD3 ARG A 25 -4.740 8.363 0.881 1.00 1.13 H ATOM 426 HE ARG A 25 -4.837 7.156 -1.741 1.00 2.28 H ATOM 427 HH11 ARG A 25 -3.701 10.971 -1.226 1.00 2.09 H ATOM 428 HH12 ARG A 25 -4.517 10.135 0.053 1.00 1.35 H ATOM 429 HH21 ARG A 25 -3.270 9.903 -3.212 1.00 3.50 H ATOM 430 HH22 ARG A 25 -3.770 8.256 -3.444 1.00 3.78 H ATOM 431 N THR A 26 -7.167 2.558 -1.613 1.00 0.12 N ATOM 432 CA THR A 26 -8.022 1.811 -2.526 1.00 0.19 C ATOM 433 C THR A 26 -8.831 0.765 -1.765 1.00 0.21 C ATOM 434 O THR A 26 -9.932 0.388 -2.176 1.00 0.30 O ATOM 435 CB THR A 26 -7.214 1.117 -3.642 1.00 0.28 C ATOM 436 OG1 THR A 26 -6.293 0.172 -3.080 1.00 0.26 O ATOM 437 CG2 THR A 26 -6.457 2.139 -4.478 1.00 0.35 C ATOM 438 H THR A 26 -6.206 2.357 -1.578 1.00 0.11 H ATOM 439 HA THR A 26 -8.704 2.511 -2.985 1.00 0.22 H ATOM 440 HB THR A 26 -7.904 0.593 -4.285 1.00 0.39 H ATOM 441 HG1 THR A 26 -5.529 0.643 -2.717 1.00 0.19 H ATOM 442 HG21 THR A 26 -5.760 2.675 -3.851 1.00 1.07 H ATOM 443 HG22 THR A 26 -7.156 2.835 -4.916 1.00 1.14 H ATOM 444 HG23 THR A 26 -5.915 1.632 -5.263 1.00 0.93 H ATOM 445 N HIS A 27 -8.273 0.292 -0.658 1.00 0.19 N ATOM 446 CA HIS A 27 -8.958 -0.674 0.187 1.00 0.26 C ATOM 447 C HIS A 27 -9.778 0.045 1.249 1.00 0.32 C ATOM 448 O HIS A 27 -10.918 -0.323 1.527 1.00 0.43 O ATOM 449 CB HIS A 27 -7.960 -1.619 0.863 1.00 0.26 C ATOM 450 CG HIS A 27 -7.070 -2.366 -0.083 1.00 0.24 C ATOM 451 ND1 HIS A 27 -7.523 -3.235 -1.072 1.00 0.26 N ATOM 452 CD2 HIS A 27 -5.714 -2.385 -0.161 1.00 0.21 C ATOM 453 CE1 HIS A 27 -6.444 -3.744 -1.699 1.00 0.25 C ATOM 454 NE2 HIS A 27 -5.355 -3.250 -1.172 1.00 0.22 N ATOM 455 H HIS A 27 -7.375 0.601 -0.403 1.00 0.16 H ATOM 456 HA HIS A 27 -9.622 -1.250 -0.440 1.00 0.33 H ATOM 457 HB2 HIS A 27 -7.326 -1.042 1.520 1.00 0.25 H ATOM 458 HB3 HIS A 27 -8.505 -2.344 1.449 1.00 0.32 H ATOM 459 HD1 HIS A 27 -8.463 -3.446 -1.274 1.00 0.29 H ATOM 460 HD2 HIS A 27 -5.029 -1.831 0.461 1.00 0.21 H ATOM 461 HE1 HIS A 27 -6.472 -4.459 -2.507 1.00 0.28 H ATOM 462 N THR A 28 -9.185 1.073 1.838 1.00 0.39 N ATOM 463 CA THR A 28 -9.838 1.851 2.870 1.00 0.53 C ATOM 464 C THR A 28 -9.815 3.330 2.501 1.00 1.47 C ATOM 465 O THR A 28 -8.744 3.938 2.419 1.00 2.16 O ATOM 466 CB THR A 28 -9.138 1.656 4.225 1.00 1.31 C ATOM 467 OG1 THR A 28 -8.917 0.259 4.455 1.00 2.16 O ATOM 468 CG2 THR A 28 -9.974 2.232 5.355 1.00 1.79 C ATOM 469 H THR A 28 -8.273 1.318 1.569 1.00 0.44 H ATOM 470 HA THR A 28 -10.861 1.513 2.956 1.00 0.93 H ATOM 471 HB THR A 28 -8.185 2.166 4.200 1.00 1.87 H ATOM 472 HG1 THR A 28 -9.761 -0.206 4.413 1.00 2.36 H ATOM 473 HG21 THR A 28 -10.115 3.290 5.195 1.00 2.33 H ATOM 474 HG22 THR A 28 -9.469 2.073 6.295 1.00 2.26 H ATOM 475 HG23 THR A 28 -10.935 1.742 5.377 1.00 2.02 H ATOM 476 N GLY A 29 -10.985 3.903 2.271 1.00 2.08 N ATOM 477 CA GLY A 29 -11.059 5.288 1.864 1.00 3.18 C ATOM 478 C GLY A 29 -11.528 5.426 0.435 1.00 3.85 C ATOM 479 O GLY A 29 -11.398 6.489 -0.175 1.00 4.55 O ATOM 480 H GLY A 29 -11.810 3.382 2.381 1.00 2.08 H ATOM 481 HA2 GLY A 29 -11.747 5.809 2.513 1.00 3.48 H ATOM 482 HA3 GLY A 29 -10.081 5.733 1.956 1.00 3.63 H ATOM 483 N GLU A 30 -12.068 4.341 -0.101 1.00 4.09 N ATOM 484 CA GLU A 30 -12.613 4.345 -1.451 1.00 5.05 C ATOM 485 C GLU A 30 -14.034 4.896 -1.421 1.00 5.25 C ATOM 486 O GLU A 30 -14.428 5.695 -2.272 1.00 6.02 O ATOM 487 CB GLU A 30 -12.605 2.930 -2.043 1.00 5.70 C ATOM 488 CG GLU A 30 -13.091 2.867 -3.484 1.00 6.61 C ATOM 489 CD GLU A 30 -12.140 3.529 -4.461 1.00 7.39 C ATOM 490 OE1 GLU A 30 -11.535 2.812 -5.284 1.00 8.01 O ATOM 491 OE2 GLU A 30 -11.992 4.769 -4.417 1.00 7.59 O1- ATOM 492 H GLU A 30 -12.106 3.519 0.432 1.00 3.89 H ATOM 493 HA GLU A 30 -12.000 4.990 -2.059 1.00 5.55 H ATOM 494 HB2 GLU A 30 -11.597 2.542 -2.010 1.00 5.79 H ATOM 495 HB3 GLU A 30 -13.244 2.300 -1.444 1.00 5.80 H ATOM 496 HG2 GLU A 30 -13.207 1.831 -3.766 1.00 6.99 H ATOM 497 HG3 GLU A 30 -14.049 3.363 -3.546 1.00 6.60 H ATOM 498 N LYS A 31 -14.788 4.475 -0.417 1.00 4.92 N ATOM 499 CA LYS A 31 -16.154 4.931 -0.239 1.00 5.57 C ATOM 500 C LYS A 31 -16.172 6.201 0.606 1.00 5.77 C ATOM 501 O LYS A 31 -16.241 6.146 1.833 1.00 5.91 O ATOM 502 CB LYS A 31 -16.991 3.836 0.426 1.00 5.76 C ATOM 503 CG LYS A 31 -18.457 4.200 0.603 1.00 6.19 C ATOM 504 CD LYS A 31 -19.209 3.110 1.347 1.00 6.83 C ATOM 505 CE LYS A 31 -20.668 3.483 1.566 1.00 7.38 C ATOM 506 NZ LYS A 31 -20.814 4.735 2.354 1.00 8.09 N1+ ATOM 507 H LYS A 31 -14.412 3.839 0.227 1.00 4.51 H ATOM 508 HA LYS A 31 -16.565 5.150 -1.213 1.00 6.21 H ATOM 509 HB2 LYS A 31 -16.937 2.942 -0.177 1.00 6.05 H ATOM 510 HB3 LYS A 31 -16.576 3.625 1.400 1.00 5.73 H ATOM 511 HG2 LYS A 31 -18.526 5.120 1.164 1.00 6.05 H ATOM 512 HG3 LYS A 31 -18.905 4.334 -0.371 1.00 6.58 H ATOM 513 HD2 LYS A 31 -19.165 2.199 0.771 1.00 7.00 H ATOM 514 HD3 LYS A 31 -18.737 2.954 2.307 1.00 7.08 H ATOM 515 HE2 LYS A 31 -21.137 3.620 0.605 1.00 7.60 H ATOM 516 HE3 LYS A 31 -21.158 2.677 2.093 1.00 7.36 H ATOM 517 HZ1 LYS A 31 -21.814 4.901 2.579 1.00 8.35 H ATOM 518 HZ2 LYS A 31 -20.457 5.545 1.811 1.00 8.52 H ATOM 519 HZ3 LYS A 31 -20.279 4.666 3.242 1.00 8.15 H HETATM 520 N NH2 A 32 -16.080 7.343 -0.049 1.00 6.20 N HETATM 521 HN1 NH2 A 32 -16.030 7.311 -1.028 1.00 6.33 H HETATM 522 HN2 NH2 A 32 -16.068 8.176 0.471 1.00 6.58 H TER 523 NH2 A 32 HETATM 524 ZN ZN A 101 -3.479 -3.676 -1.717 1.00 0.21 ZN