ATOM 1 N ARG A 1 13.631 -0.110 4.080 1.00 0.94 N ATOM 2 CA ARG A 1 12.569 -1.136 4.107 1.00 0.76 C ATOM 3 C ARG A 1 11.521 -0.845 3.036 1.00 0.57 C ATOM 4 O ARG A 1 11.004 0.269 2.951 1.00 0.60 O ATOM 5 CB ARG A 1 11.902 -1.194 5.490 1.00 0.96 C ATOM 6 CG ARG A 1 11.292 0.127 5.941 1.00 1.90 C ATOM 7 CD ARG A 1 10.412 -0.049 7.170 1.00 2.39 C ATOM 8 NE ARG A 1 9.299 -0.961 6.911 1.00 2.87 N ATOM 9 CZ ARG A 1 8.087 -0.844 7.448 1.00 3.54 C ATOM 10 NH1 ARG A 1 7.813 0.153 8.282 1.00 3.82 N1+ ATOM 11 NH2 ARG A 1 7.145 -1.726 7.143 1.00 4.30 N ATOM 12 H1 ARG A 1 13.224 0.834 4.228 1.00 1.46 H ATOM 13 H2 ARG A 1 14.114 -0.123 3.160 1.00 1.52 H ATOM 14 H3 ARG A 1 14.330 -0.297 4.826 1.00 1.16 H ATOM 15 HA ARG A 1 13.025 -2.092 3.895 1.00 0.83 H ATOM 16 HB2 ARG A 1 11.119 -1.936 5.466 1.00 1.28 H ATOM 17 HB3 ARG A 1 12.642 -1.490 6.220 1.00 1.25 H ATOM 18 HG2 ARG A 1 12.088 0.816 6.178 1.00 2.21 H ATOM 19 HG3 ARG A 1 10.695 0.529 5.134 1.00 2.47 H ATOM 20 HD2 ARG A 1 11.013 -0.447 7.975 1.00 2.73 H ATOM 21 HD3 ARG A 1 10.019 0.913 7.458 1.00 2.75 H ATOM 22 HE ARG A 1 9.469 -1.714 6.300 1.00 3.05 H ATOM 23 HH11 ARG A 1 6.896 0.238 8.683 1.00 4.43 H ATOM 24 HH12 ARG A 1 8.522 0.824 8.518 1.00 3.69 H ATOM 25 HH21 ARG A 1 7.346 -2.483 6.513 1.00 4.52 H ATOM 26 HH22 ARG A 1 6.230 -1.648 7.545 1.00 4.84 H ATOM 27 N PRO A 2 11.201 -1.838 2.192 1.00 0.48 N ATOM 28 CA PRO A 2 10.185 -1.676 1.160 1.00 0.37 C ATOM 29 C PRO A 2 8.777 -1.762 1.730 1.00 0.31 C ATOM 30 O PRO A 2 8.461 -2.662 2.513 1.00 0.43 O ATOM 31 CB PRO A 2 10.455 -2.841 0.212 1.00 0.45 C ATOM 32 CG PRO A 2 11.049 -3.901 1.073 1.00 0.58 C ATOM 33 CD PRO A 2 11.805 -3.186 2.170 1.00 0.63 C ATOM 34 HA PRO A 2 10.303 -0.740 0.633 1.00 0.40 H ATOM 35 HB2 PRO A 2 9.525 -3.165 -0.235 1.00 0.46 H ATOM 36 HB3 PRO A 2 11.144 -2.528 -0.561 1.00 0.51 H ATOM 37 HG2 PRO A 2 10.264 -4.510 1.495 1.00 0.60 H ATOM 38 HG3 PRO A 2 11.724 -4.511 0.489 1.00 0.69 H ATOM 39 HD2 PRO A 2 11.657 -3.688 3.115 1.00 0.74 H ATOM 40 HD3 PRO A 2 12.857 -3.133 1.932 1.00 0.73 H ATOM 41 N PHE A 3 7.937 -0.826 1.332 1.00 0.19 N ATOM 42 CA PHE A 3 6.565 -0.777 1.805 1.00 0.16 C ATOM 43 C PHE A 3 5.700 -1.687 0.947 1.00 0.15 C ATOM 44 O PHE A 3 5.200 -1.281 -0.100 1.00 0.18 O ATOM 45 CB PHE A 3 6.049 0.663 1.766 1.00 0.14 C ATOM 46 CG PHE A 3 6.806 1.589 2.670 1.00 0.15 C ATOM 47 CD1 PHE A 3 7.800 2.406 2.163 1.00 0.14 C ATOM 48 CD2 PHE A 3 6.523 1.644 4.025 1.00 0.22 C ATOM 49 CE1 PHE A 3 8.500 3.262 2.989 1.00 0.17 C ATOM 50 CE2 PHE A 3 7.220 2.497 4.857 1.00 0.25 C ATOM 51 CZ PHE A 3 8.207 3.299 4.348 1.00 0.21 C ATOM 52 H PHE A 3 8.242 -0.153 0.684 1.00 0.19 H ATOM 53 HA PHE A 3 6.550 -1.134 2.823 1.00 0.22 H ATOM 54 HB2 PHE A 3 6.130 1.042 0.759 1.00 0.13 H ATOM 55 HB3 PHE A 3 5.015 0.678 2.067 1.00 0.19 H ATOM 56 HD1 PHE A 3 8.028 2.368 1.109 1.00 0.16 H ATOM 57 HD2 PHE A 3 5.749 1.011 4.432 1.00 0.26 H ATOM 58 HE1 PHE A 3 9.275 3.891 2.580 1.00 0.19 H ATOM 59 HE2 PHE A 3 6.991 2.530 5.911 1.00 0.31 H ATOM 60 HZ PHE A 3 8.752 3.964 5.002 1.00 0.24 H HETATM 61 N NLE A 4 5.546 -2.923 1.387 1.00 0.15 N HETATM 62 CA NLE A 4 4.876 -3.937 0.589 1.00 0.15 C HETATM 63 C NLE A 4 3.440 -4.153 1.047 1.00 0.15 C HETATM 64 O NLE A 4 3.156 -4.217 2.244 1.00 0.21 O HETATM 65 CB NLE A 4 5.649 -5.256 0.665 1.00 0.21 C HETATM 66 CG NLE A 4 5.062 -6.360 -0.202 1.00 0.26 C HETATM 67 CD NLE A 4 5.847 -7.652 -0.070 1.00 0.33 C HETATM 68 CE NLE A 4 5.220 -8.725 -0.929 1.00 0.85 C HETATM 69 H NLE A 4 5.880 -3.157 2.277 1.00 0.20 H HETATM 70 HA NLE A 4 4.865 -3.595 -0.435 1.00 0.15 H HETATM 71 HB2 NLE A 4 5.652 -5.598 1.688 1.00 0.25 H HETATM 72 HB3 NLE A 4 6.669 -5.085 0.350 1.00 0.22 H HETATM 73 HG2 NLE A 4 5.083 -6.042 -1.234 1.00 0.26 H HETATM 74 HG3 NLE A 4 4.041 -6.538 0.101 1.00 0.27 H HETATM 75 HD2 NLE A 4 5.838 -7.978 0.959 1.00 0.80 H HETATM 76 HD3 NLE A 4 6.863 -7.491 -0.402 1.00 0.79 H HETATM 77 HE1 NLE A 4 5.226 -8.410 -1.961 1.00 1.36 H HETATM 78 HE2 NLE A 4 4.202 -8.893 -0.610 1.00 1.52 H HETATM 79 HE3 NLE A 4 5.783 -9.640 -0.829 1.00 1.43 H ATOM 80 N CYS A 5 2.542 -4.255 0.079 1.00 0.13 N ATOM 81 CA CYS A 5 1.155 -4.585 0.345 1.00 0.18 C ATOM 82 C CYS A 5 1.023 -6.058 0.709 1.00 0.29 C ATOM 83 O CYS A 5 1.646 -6.921 0.087 1.00 0.33 O ATOM 84 CB CYS A 5 0.295 -4.266 -0.879 1.00 0.13 C ATOM 85 SG CYS A 5 -1.392 -4.910 -0.790 1.00 0.20 S ATOM 86 H CYS A 5 2.825 -4.096 -0.849 1.00 0.11 H ATOM 87 HA CYS A 5 0.821 -3.985 1.178 1.00 0.26 H ATOM 88 HB2 CYS A 5 0.228 -3.193 -0.994 1.00 0.17 H ATOM 89 HB3 CYS A 5 0.761 -4.687 -1.753 1.00 0.13 H ATOM 90 N THR A 6 0.219 -6.339 1.718 1.00 0.42 N ATOM 91 CA THR A 6 -0.011 -7.701 2.158 1.00 0.57 C ATOM 92 C THR A 6 -1.480 -8.078 2.019 1.00 0.46 C ATOM 93 O THR A 6 -1.973 -8.974 2.705 1.00 0.49 O ATOM 94 CB THR A 6 0.440 -7.891 3.617 1.00 0.85 C ATOM 95 OG1 THR A 6 -0.017 -6.789 4.414 1.00 1.31 O ATOM 96 CG2 THR A 6 1.954 -8.000 3.706 1.00 1.22 C ATOM 97 H THR A 6 -0.237 -5.606 2.184 1.00 0.45 H ATOM 98 HA THR A 6 0.578 -8.356 1.534 1.00 0.64 H ATOM 99 HB THR A 6 0.004 -8.804 3.995 1.00 0.76 H ATOM 100 HG1 THR A 6 0.075 -7.014 5.348 1.00 1.76 H ATOM 101 HG21 THR A 6 2.288 -8.859 3.141 1.00 1.66 H ATOM 102 HG22 THR A 6 2.247 -8.115 4.740 1.00 1.79 H ATOM 103 HG23 THR A 6 2.404 -7.106 3.301 1.00 1.53 H ATOM 104 N TRP A 7 -2.178 -7.397 1.123 1.00 0.44 N ATOM 105 CA TRP A 7 -3.585 -7.666 0.903 1.00 0.38 C ATOM 106 C TRP A 7 -3.732 -8.790 -0.114 1.00 0.51 C ATOM 107 O TRP A 7 -4.009 -8.558 -1.295 1.00 0.61 O ATOM 108 CB TRP A 7 -4.296 -6.406 0.417 1.00 0.39 C ATOM 109 CG TRP A 7 -5.741 -6.342 0.803 1.00 0.42 C ATOM 110 CD1 TRP A 7 -6.772 -7.050 0.262 1.00 0.49 C ATOM 111 CD2 TRP A 7 -6.312 -5.504 1.810 1.00 0.51 C ATOM 112 NE1 TRP A 7 -7.951 -6.709 0.880 1.00 0.57 N ATOM 113 CE2 TRP A 7 -7.694 -5.761 1.834 1.00 0.59 C ATOM 114 CE3 TRP A 7 -5.785 -4.563 2.696 1.00 0.62 C ATOM 115 CZ2 TRP A 7 -8.558 -5.109 2.710 1.00 0.73 C ATOM 116 CZ3 TRP A 7 -6.640 -3.916 3.565 1.00 0.78 C ATOM 117 CH2 TRP A 7 -8.014 -4.192 3.568 1.00 0.82 C ATOM 118 H TRP A 7 -1.733 -6.706 0.587 1.00 0.52 H ATOM 119 HA TRP A 7 -4.017 -7.978 1.841 1.00 0.36 H ATOM 120 HB2 TRP A 7 -3.805 -5.541 0.833 1.00 0.42 H ATOM 121 HB3 TRP A 7 -4.235 -6.360 -0.659 1.00 0.45 H ATOM 122 HD1 TRP A 7 -6.661 -7.773 -0.532 1.00 0.55 H ATOM 123 HE1 TRP A 7 -8.835 -7.083 0.671 1.00 0.66 H ATOM 124 HE3 TRP A 7 -4.727 -4.340 2.706 1.00 0.64 H ATOM 125 HZ2 TRP A 7 -9.619 -5.312 2.725 1.00 0.80 H ATOM 126 HZ3 TRP A 7 -6.250 -3.185 4.258 1.00 0.91 H ATOM 127 HH2 TRP A 7 -8.646 -3.661 4.264 1.00 0.95 H HETATM 128 N ORN A 8 -3.034 -13.119 -4.430 1.00 0.96 N HETATM 129 CA ORN A 8 -2.944 -12.070 -3.394 1.00 0.74 C HETATM 130 CB ORN A 8 -2.311 -12.636 -2.119 1.00 0.85 C HETATM 131 CG ORN A 8 -2.206 -11.626 -0.990 1.00 0.95 C HETATM 132 CD ORN A 8 -3.579 -11.199 -0.492 1.00 0.76 C HETATM 133 NE ORN A 8 -3.497 -10.009 0.339 1.00 0.57 N HETATM 134 C ORN A 8 -2.123 -10.897 -3.912 1.00 0.57 C HETATM 135 O ORN A 8 -1.150 -11.086 -4.640 1.00 0.62 O HETATM 136 H ORN A 8 -2.086 -13.465 -4.668 1.00 1.31 H HETATM 137 HA ORN A 8 -3.942 -11.724 -3.174 1.00 0.68 H HETATM 138 HB2 ORN A 8 -1.318 -12.991 -2.349 1.00 1.41 H HETATM 139 HB3 ORN A 8 -2.909 -13.465 -1.772 1.00 1.23 H HETATM 140 HG2 ORN A 8 -1.676 -10.756 -1.349 1.00 1.68 H HETATM 141 HG3 ORN A 8 -1.658 -12.071 -0.172 1.00 1.12 H HETATM 142 HD2 ORN A 8 -4.008 -12.004 0.086 1.00 0.81 H HETATM 143 HD3 ORN A 8 -4.210 -10.991 -1.341 1.00 0.75 H HETATM 144 HE1 ORN A 8 -3.243 -10.123 1.281 1.00 0.53 H HETATM 145 HT3 ORN A 8 -3.610 -13.913 -4.089 1.00 1.21 H ATOM 146 N CYS A 9 -2.517 -9.688 -3.534 1.00 0.41 N ATOM 147 CA CYS A 9 -1.844 -8.485 -3.988 1.00 0.30 C ATOM 148 C CYS A 9 -0.640 -8.183 -3.099 1.00 0.26 C ATOM 149 O CYS A 9 -0.737 -8.245 -1.872 1.00 0.34 O ATOM 150 CB CYS A 9 -2.830 -7.320 -3.979 1.00 0.29 C ATOM 151 SG CYS A 9 -2.110 -5.723 -4.393 1.00 0.23 S ATOM 152 H CYS A 9 -3.278 -9.601 -2.914 1.00 0.39 H ATOM 153 HA CYS A 9 -1.504 -8.653 -4.998 1.00 0.32 H ATOM 154 HB2 CYS A 9 -3.616 -7.517 -4.693 1.00 0.33 H ATOM 155 HB3 CYS A 9 -3.263 -7.237 -2.992 1.00 0.30 H ATOM 156 N GLY A 10 0.491 -7.866 -3.718 1.00 0.25 N ATOM 157 CA GLY A 10 1.701 -7.606 -2.966 1.00 0.27 C ATOM 158 C GLY A 10 2.660 -6.689 -3.697 1.00 0.21 C ATOM 159 O GLY A 10 3.791 -7.071 -3.991 1.00 0.30 O ATOM 160 H GLY A 10 0.506 -7.813 -4.696 1.00 0.32 H ATOM 161 HA2 GLY A 10 1.434 -7.153 -2.024 1.00 0.31 H ATOM 162 HA3 GLY A 10 2.195 -8.546 -2.775 1.00 0.34 H ATOM 163 N LYS A 11 2.207 -5.483 -4.002 1.00 0.17 N ATOM 164 CA LYS A 11 3.051 -4.491 -4.661 1.00 0.16 C ATOM 165 C LYS A 11 3.931 -3.780 -3.639 1.00 0.16 C ATOM 166 O LYS A 11 3.538 -3.616 -2.485 1.00 0.21 O ATOM 167 CB LYS A 11 2.181 -3.482 -5.411 1.00 0.24 C ATOM 168 CG LYS A 11 1.361 -4.107 -6.527 1.00 0.75 C ATOM 169 CD LYS A 11 0.494 -3.073 -7.221 1.00 0.58 C ATOM 170 CE LYS A 11 -0.334 -3.691 -8.338 1.00 1.49 C ATOM 171 NZ LYS A 11 0.520 -4.224 -9.432 1.00 2.05 N1+ ATOM 172 H LYS A 11 1.283 -5.251 -3.781 1.00 0.24 H ATOM 173 HA LYS A 11 3.684 -5.007 -5.367 1.00 0.18 H ATOM 174 HB2 LYS A 11 1.501 -3.018 -4.710 1.00 0.71 H ATOM 175 HB3 LYS A 11 2.816 -2.721 -5.841 1.00 0.81 H ATOM 176 HG2 LYS A 11 2.031 -4.545 -7.251 1.00 1.30 H ATOM 177 HG3 LYS A 11 0.726 -4.874 -6.109 1.00 1.24 H ATOM 178 HD2 LYS A 11 -0.169 -2.631 -6.496 1.00 0.70 H ATOM 179 HD3 LYS A 11 1.132 -2.308 -7.639 1.00 0.86 H ATOM 180 HE2 LYS A 11 -0.924 -4.497 -7.928 1.00 2.21 H ATOM 181 HE3 LYS A 11 -0.991 -2.935 -8.743 1.00 1.86 H ATOM 182 HZ1 LYS A 11 -0.073 -4.559 -10.220 1.00 2.40 H ATOM 183 HZ2 LYS A 11 1.097 -5.018 -9.086 1.00 2.57 H ATOM 184 HZ3 LYS A 11 1.156 -3.478 -9.784 1.00 2.43 H ATOM 185 N ARG A 12 5.122 -3.374 -4.057 1.00 0.14 N ATOM 186 CA ARG A 12 6.056 -2.714 -3.155 1.00 0.17 C ATOM 187 C ARG A 12 6.214 -1.245 -3.514 1.00 0.15 C ATOM 188 O ARG A 12 6.240 -0.882 -4.689 1.00 0.24 O ATOM 189 CB ARG A 12 7.418 -3.412 -3.188 1.00 0.26 C ATOM 190 CG ARG A 12 7.363 -4.857 -2.730 1.00 0.83 C ATOM 191 CD ARG A 12 8.725 -5.527 -2.803 1.00 0.78 C ATOM 192 NE ARG A 12 8.662 -6.923 -2.372 1.00 1.85 N ATOM 193 CZ ARG A 12 9.557 -7.499 -1.568 1.00 2.32 C ATOM 194 NH1 ARG A 12 10.623 -6.820 -1.159 1.00 2.15 N1+ ATOM 195 NH2 ARG A 12 9.395 -8.761 -1.193 1.00 3.36 N ATOM 196 H ARG A 12 5.377 -3.512 -4.994 1.00 0.14 H ATOM 197 HA ARG A 12 5.651 -2.783 -2.157 1.00 0.21 H ATOM 198 HB2 ARG A 12 7.797 -3.389 -4.198 1.00 0.90 H ATOM 199 HB3 ARG A 12 8.101 -2.878 -2.544 1.00 0.85 H ATOM 200 HG2 ARG A 12 7.016 -4.886 -1.708 1.00 1.33 H ATOM 201 HG3 ARG A 12 6.671 -5.396 -3.360 1.00 1.38 H ATOM 202 HD2 ARG A 12 9.080 -5.489 -3.822 1.00 0.99 H ATOM 203 HD3 ARG A 12 9.410 -4.992 -2.162 1.00 0.93 H ATOM 204 HE ARG A 12 7.899 -7.456 -2.692 1.00 2.49 H ATOM 205 HH11 ARG A 12 10.763 -5.873 -1.451 1.00 1.82 H ATOM 206 HH12 ARG A 12 11.299 -7.255 -0.552 1.00 2.73 H ATOM 207 HH21 ARG A 12 10.063 -9.197 -0.587 1.00 3.75 H ATOM 208 HH22 ARG A 12 8.602 -9.288 -1.516 1.00 3.87 H ATOM 209 N PHE A 13 6.307 -0.410 -2.492 1.00 0.10 N ATOM 210 CA PHE A 13 6.445 1.026 -2.668 1.00 0.10 C ATOM 211 C PHE A 13 7.626 1.538 -1.854 1.00 0.12 C ATOM 212 O PHE A 13 7.998 0.938 -0.846 1.00 0.18 O ATOM 213 CB PHE A 13 5.161 1.728 -2.218 1.00 0.12 C ATOM 214 CG PHE A 13 3.934 1.234 -2.926 1.00 0.14 C ATOM 215 CD1 PHE A 13 3.502 1.837 -4.094 1.00 0.19 C ATOM 216 CD2 PHE A 13 3.220 0.157 -2.426 1.00 0.16 C ATOM 217 CE1 PHE A 13 2.379 1.375 -4.750 1.00 0.22 C ATOM 218 CE2 PHE A 13 2.098 -0.308 -3.076 1.00 0.20 C ATOM 219 CZ PHE A 13 1.677 0.302 -4.241 1.00 0.21 C ATOM 220 H PHE A 13 6.267 -0.769 -1.577 1.00 0.14 H ATOM 221 HA PHE A 13 6.613 1.225 -3.714 1.00 0.13 H ATOM 222 HB2 PHE A 13 5.021 1.564 -1.159 1.00 0.12 H ATOM 223 HB3 PHE A 13 5.252 2.787 -2.407 1.00 0.14 H ATOM 224 HD1 PHE A 13 4.052 2.676 -4.492 1.00 0.21 H ATOM 225 HD2 PHE A 13 3.551 -0.321 -1.515 1.00 0.16 H ATOM 226 HE1 PHE A 13 2.052 1.852 -5.661 1.00 0.27 H ATOM 227 HE2 PHE A 13 1.550 -1.148 -2.674 1.00 0.22 H ATOM 228 HZ PHE A 13 0.799 -0.061 -4.753 1.00 0.25 H ATOM 229 N THR A 14 8.219 2.635 -2.291 1.00 0.15 N ATOM 230 CA THR A 14 9.323 3.240 -1.559 1.00 0.17 C ATOM 231 C THR A 14 8.828 4.337 -0.624 1.00 0.13 C ATOM 232 O THR A 14 9.610 4.950 0.105 1.00 0.24 O ATOM 233 CB THR A 14 10.367 3.824 -2.523 1.00 0.28 C ATOM 234 OG1 THR A 14 9.716 4.322 -3.700 1.00 0.85 O ATOM 235 CG2 THR A 14 11.406 2.777 -2.904 1.00 0.95 C ATOM 236 H THR A 14 7.920 3.045 -3.134 1.00 0.20 H ATOM 237 HA THR A 14 9.796 2.469 -0.970 1.00 0.23 H ATOM 238 HB THR A 14 10.867 4.644 -2.029 1.00 0.82 H ATOM 239 HG1 THR A 14 9.656 3.614 -4.355 1.00 1.26 H ATOM 240 HG21 THR A 14 10.914 1.933 -3.365 1.00 1.58 H ATOM 241 HG22 THR A 14 11.930 2.449 -2.019 1.00 1.36 H ATOM 242 HG23 THR A 14 12.111 3.205 -3.600 1.00 1.65 H ATOM 243 N ARG A 15 7.522 4.569 -0.639 1.00 0.13 N ATOM 244 CA ARG A 15 6.920 5.628 0.157 1.00 0.18 C ATOM 245 C ARG A 15 5.709 5.091 0.920 1.00 0.14 C ATOM 246 O ARG A 15 4.850 4.404 0.353 1.00 0.13 O ATOM 247 CB ARG A 15 6.502 6.792 -0.750 1.00 0.31 C ATOM 248 CG ARG A 15 7.632 7.332 -1.617 1.00 0.38 C ATOM 249 CD ARG A 15 7.153 8.428 -2.555 1.00 0.91 C ATOM 250 NE ARG A 15 6.635 9.586 -1.829 1.00 1.61 N ATOM 251 CZ ARG A 15 5.810 10.492 -2.354 1.00 2.07 C ATOM 252 NH1 ARG A 15 5.387 10.377 -3.610 1.00 1.87 N1+ ATOM 253 NH2 ARG A 15 5.410 11.518 -1.618 1.00 3.12 N ATOM 254 H ARG A 15 6.947 4.002 -1.194 1.00 0.20 H ATOM 255 HA ARG A 15 7.659 5.974 0.864 1.00 0.22 H ATOM 256 HB2 ARG A 15 5.708 6.459 -1.400 1.00 0.37 H ATOM 257 HB3 ARG A 15 6.135 7.600 -0.135 1.00 0.40 H ATOM 258 HG2 ARG A 15 8.402 7.733 -0.977 1.00 0.69 H ATOM 259 HG3 ARG A 15 8.039 6.522 -2.205 1.00 0.59 H ATOM 260 HD2 ARG A 15 7.982 8.745 -3.169 1.00 1.32 H ATOM 261 HD3 ARG A 15 6.371 8.030 -3.185 1.00 1.67 H ATOM 262 HE ARG A 15 6.928 9.696 -0.894 1.00 2.18 H ATOM 263 HH11 ARG A 15 5.684 9.605 -4.177 1.00 1.78 H ATOM 264 HH12 ARG A 15 4.761 11.062 -3.997 1.00 2.28 H ATOM 265 HH21 ARG A 15 5.723 11.612 -0.669 1.00 3.70 H ATOM 266 HH22 ARG A 15 4.788 12.204 -2.004 1.00 3.46 H ATOM 267 N SER A 16 5.652 5.410 2.208 1.00 0.15 N ATOM 268 CA SER A 16 4.609 4.901 3.089 1.00 0.14 C ATOM 269 C SER A 16 3.240 5.464 2.719 1.00 0.12 C ATOM 270 O SER A 16 2.231 4.767 2.817 1.00 0.15 O ATOM 271 CB SER A 16 4.953 5.231 4.542 1.00 0.22 C ATOM 272 OG SER A 16 5.373 6.579 4.668 1.00 1.22 O ATOM 273 H SER A 16 6.333 6.014 2.581 1.00 0.19 H ATOM 274 HA SER A 16 4.583 3.826 2.974 1.00 0.16 H ATOM 275 HB2 SER A 16 4.081 5.081 5.160 1.00 0.90 H ATOM 276 HB3 SER A 16 5.750 4.585 4.879 1.00 1.04 H ATOM 277 HG SER A 16 6.336 6.621 4.605 1.00 1.52 H ATOM 278 N ASP A 17 3.207 6.723 2.288 1.00 0.14 N ATOM 279 CA ASP A 17 1.960 7.341 1.839 1.00 0.19 C ATOM 280 C ASP A 17 1.456 6.643 0.587 1.00 0.16 C ATOM 281 O ASP A 17 0.251 6.501 0.380 1.00 0.18 O ATOM 282 CB ASP A 17 2.153 8.834 1.560 1.00 0.28 C ATOM 283 CG ASP A 17 0.872 9.514 1.115 1.00 1.40 C ATOM 284 OD1 ASP A 17 0.760 9.854 -0.084 1.00 2.04 O ATOM 285 OD2 ASP A 17 -0.038 9.696 1.953 1.00 2.15 O1- ATOM 286 H ASP A 17 4.037 7.250 2.284 1.00 0.15 H ATOM 287 HA ASP A 17 1.228 7.218 2.622 1.00 0.24 H ATOM 288 HB2 ASP A 17 2.500 9.318 2.458 1.00 1.06 H ATOM 289 HB3 ASP A 17 2.891 8.955 0.784 1.00 0.95 H ATOM 290 N GLU A 18 2.395 6.190 -0.231 1.00 0.15 N ATOM 291 CA GLU A 18 2.072 5.466 -1.447 1.00 0.16 C ATOM 292 C GLU A 18 1.435 4.131 -1.115 1.00 0.11 C ATOM 293 O GLU A 18 0.411 3.767 -1.692 1.00 0.13 O ATOM 294 CB GLU A 18 3.327 5.255 -2.289 1.00 0.25 C ATOM 295 CG GLU A 18 3.836 6.526 -2.936 1.00 0.40 C ATOM 296 CD GLU A 18 2.958 6.975 -4.081 1.00 1.31 C ATOM 297 OE1 GLU A 18 3.390 6.844 -5.241 1.00 2.28 O ATOM 298 OE2 GLU A 18 1.830 7.446 -3.832 1.00 1.61 O1- ATOM 299 H GLU A 18 3.333 6.338 -0.002 1.00 0.16 H ATOM 300 HA GLU A 18 1.368 6.059 -2.008 1.00 0.24 H ATOM 301 HB2 GLU A 18 4.109 4.860 -1.659 1.00 0.27 H ATOM 302 HB3 GLU A 18 3.108 4.543 -3.069 1.00 0.28 H ATOM 303 HG2 GLU A 18 3.863 7.311 -2.193 1.00 0.80 H ATOM 304 HG3 GLU A 18 4.832 6.345 -3.312 1.00 0.93 H ATOM 305 N LEU A 19 2.038 3.411 -0.175 1.00 0.11 N ATOM 306 CA LEU A 19 1.497 2.131 0.258 1.00 0.12 C ATOM 307 C LEU A 19 0.137 2.306 0.923 1.00 0.12 C ATOM 308 O LEU A 19 -0.802 1.568 0.637 1.00 0.14 O ATOM 309 CB LEU A 19 2.452 1.433 1.223 1.00 0.14 C ATOM 310 CG LEU A 19 1.878 0.179 1.888 1.00 0.15 C ATOM 311 CD1 LEU A 19 1.586 -0.896 0.851 1.00 0.17 C ATOM 312 CD2 LEU A 19 2.823 -0.344 2.954 1.00 0.17 C ATOM 313 H LEU A 19 2.871 3.748 0.230 1.00 0.12 H ATOM 314 HA LEU A 19 1.372 1.513 -0.619 1.00 0.14 H ATOM 315 HB2 LEU A 19 3.347 1.156 0.681 1.00 0.15 H ATOM 316 HB3 LEU A 19 2.723 2.131 1.998 1.00 0.15 H ATOM 317 HG LEU A 19 0.944 0.437 2.368 1.00 0.15 H ATOM 318 HD11 LEU A 19 1.165 -1.760 1.341 1.00 0.93 H ATOM 319 HD12 LEU A 19 2.503 -1.175 0.354 1.00 0.92 H ATOM 320 HD13 LEU A 19 0.883 -0.515 0.125 1.00 0.94 H ATOM 321 HD21 LEU A 19 2.322 -1.103 3.536 1.00 0.94 H ATOM 322 HD22 LEU A 19 3.124 0.467 3.600 1.00 1.07 H ATOM 323 HD23 LEU A 19 3.693 -0.773 2.482 1.00 1.03 H ATOM 324 N GLN A 20 0.034 3.285 1.811 1.00 0.15 N ATOM 325 CA GLN A 20 -1.210 3.529 2.527 1.00 0.19 C ATOM 326 C GLN A 20 -2.321 3.921 1.553 1.00 0.15 C ATOM 327 O GLN A 20 -3.465 3.465 1.673 1.00 0.16 O ATOM 328 CB GLN A 20 -1.004 4.618 3.585 1.00 0.27 C ATOM 329 CG GLN A 20 -2.209 4.843 4.484 1.00 1.15 C ATOM 330 CD GLN A 20 -2.522 3.656 5.382 1.00 1.67 C ATOM 331 OE1 GLN A 20 -2.237 2.504 5.052 1.00 2.11 O ATOM 332 NE2 GLN A 20 -3.127 3.931 6.526 1.00 2.50 N ATOM 333 H GLN A 20 0.816 3.854 1.996 1.00 0.17 H ATOM 334 HA GLN A 20 -1.490 2.611 3.020 1.00 0.23 H ATOM 335 HB2 GLN A 20 -0.167 4.338 4.207 1.00 0.82 H ATOM 336 HB3 GLN A 20 -0.773 5.548 3.087 1.00 0.82 H ATOM 337 HG2 GLN A 20 -2.015 5.701 5.108 1.00 1.84 H ATOM 338 HG3 GLN A 20 -3.067 5.041 3.862 1.00 1.71 H ATOM 339 HE21 GLN A 20 -3.337 4.868 6.725 1.00 2.87 H ATOM 340 HE22 GLN A 20 -3.342 3.187 7.129 1.00 3.01 H ATOM 341 N ARG A 21 -1.973 4.749 0.577 1.00 0.15 N ATOM 342 CA ARG A 21 -2.915 5.141 -0.462 1.00 0.19 C ATOM 343 C ARG A 21 -3.333 3.919 -1.260 1.00 0.14 C ATOM 344 O ARG A 21 -4.515 3.718 -1.539 1.00 0.16 O ATOM 345 CB ARG A 21 -2.287 6.170 -1.394 1.00 0.28 C ATOM 346 CG ARG A 21 -3.270 6.804 -2.361 1.00 0.90 C ATOM 347 CD ARG A 21 -2.557 7.716 -3.342 1.00 0.92 C ATOM 348 NE ARG A 21 -1.629 8.617 -2.663 1.00 1.52 N ATOM 349 CZ ARG A 21 -1.092 9.691 -3.226 1.00 1.91 C ATOM 350 NH1 ARG A 21 -1.437 10.046 -4.456 1.00 1.87 N1+ ATOM 351 NH2 ARG A 21 -0.220 10.417 -2.548 1.00 2.78 N ATOM 352 H ARG A 21 -1.055 5.109 0.557 1.00 0.17 H ATOM 353 HA ARG A 21 -3.785 5.571 0.011 1.00 0.24 H ATOM 354 HB2 ARG A 21 -1.846 6.954 -0.799 1.00 0.71 H ATOM 355 HB3 ARG A 21 -1.511 5.689 -1.968 1.00 0.85 H ATOM 356 HG2 ARG A 21 -3.777 6.023 -2.909 1.00 1.39 H ATOM 357 HG3 ARG A 21 -3.991 7.382 -1.801 1.00 1.31 H ATOM 358 HD2 ARG A 21 -2.006 7.110 -4.045 1.00 1.26 H ATOM 359 HD3 ARG A 21 -3.291 8.304 -3.870 1.00 1.23 H ATOM 360 HE ARG A 21 -1.380 8.394 -1.737 1.00 2.02 H ATOM 361 HH11 ARG A 21 -2.105 9.502 -4.971 1.00 1.76 H ATOM 362 HH12 ARG A 21 -1.031 10.861 -4.881 1.00 2.33 H ATOM 363 HH21 ARG A 21 0.038 10.152 -1.606 1.00 3.23 H ATOM 364 HH22 ARG A 21 0.191 11.229 -2.965 1.00 3.13 H ATOM 365 N HIS A 22 -2.352 3.093 -1.603 1.00 0.11 N ATOM 366 CA HIS A 22 -2.608 1.849 -2.302 1.00 0.09 C ATOM 367 C HIS A 22 -3.603 0.994 -1.515 1.00 0.11 C ATOM 368 O HIS A 22 -4.540 0.431 -2.084 1.00 0.15 O ATOM 369 CB HIS A 22 -1.290 1.092 -2.533 1.00 0.11 C ATOM 370 CG HIS A 22 -1.491 -0.308 -3.009 1.00 0.11 C ATOM 371 ND1 HIS A 22 -1.470 -0.698 -4.343 1.00 0.18 N ATOM 372 CD2 HIS A 22 -1.807 -1.413 -2.297 1.00 0.11 C ATOM 373 CE1 HIS A 22 -1.793 -2.001 -4.389 1.00 0.21 C ATOM 374 NE2 HIS A 22 -1.998 -2.442 -3.178 1.00 0.15 N ATOM 375 H HIS A 22 -1.424 3.332 -1.380 1.00 0.13 H ATOM 376 HA HIS A 22 -3.043 2.095 -3.258 1.00 0.11 H ATOM 377 HB2 HIS A 22 -0.704 1.616 -3.274 1.00 0.14 H ATOM 378 HB3 HIS A 22 -0.737 1.054 -1.606 1.00 0.12 H ATOM 379 HD1 HIS A 22 -1.258 -0.123 -5.113 1.00 0.24 H ATOM 380 HD2 HIS A 22 -1.875 -1.486 -1.220 1.00 0.14 H ATOM 381 HE1 HIS A 22 -1.877 -2.591 -5.287 1.00 0.28 H ATOM 382 N LYS A 23 -3.402 0.912 -0.205 1.00 0.13 N ATOM 383 CA LYS A 23 -4.306 0.168 0.663 1.00 0.18 C ATOM 384 C LYS A 23 -5.707 0.768 0.625 1.00 0.17 C ATOM 385 O LYS A 23 -6.706 0.049 0.730 1.00 0.21 O ATOM 386 CB LYS A 23 -3.785 0.147 2.100 1.00 0.26 C ATOM 387 CG LYS A 23 -2.507 -0.657 2.278 1.00 0.57 C ATOM 388 CD LYS A 23 -2.070 -0.684 3.731 1.00 0.99 C ATOM 389 CE LYS A 23 -0.827 -1.537 3.924 1.00 1.50 C ATOM 390 NZ LYS A 23 -0.433 -1.630 5.354 1.00 1.93 N1+ ATOM 391 H LYS A 23 -2.617 1.358 0.187 1.00 0.13 H ATOM 392 HA LYS A 23 -4.355 -0.843 0.296 1.00 0.24 H ATOM 393 HB2 LYS A 23 -3.593 1.163 2.413 1.00 0.56 H ATOM 394 HB3 LYS A 23 -4.543 -0.280 2.738 1.00 0.66 H ATOM 395 HG2 LYS A 23 -2.680 -1.670 1.947 1.00 1.21 H ATOM 396 HG3 LYS A 23 -1.723 -0.210 1.684 1.00 1.27 H ATOM 397 HD2 LYS A 23 -1.857 0.325 4.050 1.00 1.75 H ATOM 398 HD3 LYS A 23 -2.873 -1.091 4.327 1.00 1.44 H ATOM 399 HE2 LYS A 23 -1.027 -2.530 3.551 1.00 1.79 H ATOM 400 HE3 LYS A 23 -0.015 -1.099 3.363 1.00 2.05 H ATOM 401 HZ1 LYS A 23 0.391 -2.257 5.459 1.00 2.29 H ATOM 402 HZ2 LYS A 23 -1.216 -2.011 5.918 1.00 2.36 H ATOM 403 HZ3 LYS A 23 -0.185 -0.688 5.721 1.00 2.11 H ATOM 404 N ARG A 24 -5.780 2.083 0.433 1.00 0.17 N ATOM 405 CA ARG A 24 -7.064 2.768 0.329 1.00 0.23 C ATOM 406 C ARG A 24 -7.797 2.330 -0.938 1.00 0.22 C ATOM 407 O ARG A 24 -8.988 2.583 -1.101 1.00 0.33 O ATOM 408 CB ARG A 24 -6.869 4.287 0.326 1.00 0.34 C ATOM 409 CG ARG A 24 -8.174 5.066 0.352 1.00 0.92 C ATOM 410 CD ARG A 24 -7.934 6.562 0.282 1.00 0.92 C ATOM 411 NE ARG A 24 -9.185 7.316 0.292 1.00 1.57 N ATOM 412 CZ ARG A 24 -9.266 8.630 0.102 1.00 1.89 C ATOM 413 NH1 ARG A 24 -8.168 9.341 -0.133 1.00 1.57 N1+ ATOM 414 NH2 ARG A 24 -10.446 9.231 0.142 1.00 2.84 N ATOM 415 H ARG A 24 -4.946 2.609 0.354 1.00 0.18 H ATOM 416 HA ARG A 24 -7.656 2.491 1.188 1.00 0.28 H ATOM 417 HB2 ARG A 24 -6.290 4.566 1.191 1.00 0.81 H ATOM 418 HB3 ARG A 24 -6.326 4.567 -0.565 1.00 0.82 H ATOM 419 HG2 ARG A 24 -8.775 4.768 -0.493 1.00 1.39 H ATOM 420 HG3 ARG A 24 -8.700 4.837 1.268 1.00 1.39 H ATOM 421 HD2 ARG A 24 -7.339 6.860 1.133 1.00 1.14 H ATOM 422 HD3 ARG A 24 -7.395 6.786 -0.628 1.00 1.40 H ATOM 423 HE ARG A 24 -10.015 6.809 0.455 1.00 2.11 H ATOM 424 HH11 ARG A 24 -8.229 10.331 -0.275 1.00 1.94 H ATOM 425 HH12 ARG A 24 -7.272 8.889 -0.166 1.00 1.49 H ATOM 426 HH21 ARG A 24 -10.515 10.222 0.000 1.00 3.18 H ATOM 427 HH22 ARG A 24 -11.278 8.696 0.310 1.00 3.39 H ATOM 428 N THR A 25 -7.080 1.671 -1.834 1.00 0.21 N ATOM 429 CA THR A 25 -7.681 1.150 -3.047 1.00 0.27 C ATOM 430 C THR A 25 -8.316 -0.216 -2.777 1.00 0.26 C ATOM 431 O THR A 25 -9.197 -0.659 -3.510 1.00 0.34 O ATOM 432 CB THR A 25 -6.641 1.057 -4.180 1.00 0.37 C ATOM 433 OG1 THR A 25 -5.943 2.308 -4.289 1.00 1.28 O ATOM 434 CG2 THR A 25 -7.306 0.730 -5.509 1.00 1.04 C ATOM 435 H THR A 25 -6.121 1.522 -1.670 1.00 0.23 H ATOM 436 HA THR A 25 -8.457 1.838 -3.352 1.00 0.29 H ATOM 437 HB THR A 25 -5.935 0.275 -3.940 1.00 0.93 H ATOM 438 HG1 THR A 25 -5.799 2.670 -3.406 1.00 1.45 H ATOM 439 HG21 THR A 25 -8.014 1.505 -5.758 1.00 1.50 H ATOM 440 HG22 THR A 25 -7.820 -0.216 -5.432 1.00 1.73 H ATOM 441 HG23 THR A 25 -6.553 0.669 -6.281 1.00 1.63 H ATOM 442 N HIS A 26 -7.881 -0.870 -1.702 1.00 0.22 N ATOM 443 CA HIS A 26 -8.497 -2.120 -1.276 1.00 0.25 C ATOM 444 C HIS A 26 -9.696 -1.824 -0.388 1.00 0.32 C ATOM 445 O HIS A 26 -10.729 -2.484 -0.480 1.00 0.40 O ATOM 446 CB HIS A 26 -7.511 -3.010 -0.512 1.00 0.27 C ATOM 447 CG HIS A 26 -6.428 -3.614 -1.350 1.00 0.23 C ATOM 448 ND1 HIS A 26 -6.638 -4.611 -2.300 1.00 0.26 N ATOM 449 CD2 HIS A 26 -5.094 -3.375 -1.344 1.00 0.20 C ATOM 450 CE1 HIS A 26 -5.442 -4.940 -2.823 1.00 0.26 C ATOM 451 NE2 HIS A 26 -4.505 -4.213 -2.268 1.00 0.21 N ATOM 452 H HIS A 26 -7.141 -0.498 -1.175 1.00 0.22 H ATOM 453 HA HIS A 26 -8.834 -2.642 -2.158 1.00 0.30 H ATOM 454 HB2 HIS A 26 -7.033 -2.422 0.257 1.00 0.30 H ATOM 455 HB3 HIS A 26 -8.058 -3.817 -0.046 1.00 0.34 H ATOM 456 HD1 HIS A 26 -7.507 -5.007 -2.541 1.00 0.30 H ATOM 457 HD2 HIS A 26 -4.571 -2.669 -0.718 1.00 0.20 H ATOM 458 HE1 HIS A 26 -5.280 -5.692 -3.579 1.00 0.32 H ATOM 459 N THR A 27 -9.548 -0.816 0.467 1.00 0.46 N ATOM 460 CA THR A 27 -10.632 -0.387 1.341 1.00 0.61 C ATOM 461 C THR A 27 -11.557 0.595 0.631 1.00 1.09 C ATOM 462 O THR A 27 -12.518 1.106 1.214 1.00 1.74 O ATOM 463 CB THR A 27 -10.079 0.266 2.620 1.00 1.38 C ATOM 464 OG1 THR A 27 -9.061 1.221 2.283 1.00 2.22 O ATOM 465 CG2 THR A 27 -9.505 -0.784 3.556 1.00 2.01 C ATOM 466 H THR A 27 -8.679 -0.356 0.525 1.00 0.53 H ATOM 467 HA THR A 27 -11.200 -1.261 1.624 1.00 1.04 H ATOM 468 HB THR A 27 -10.886 0.777 3.123 1.00 1.93 H ATOM 469 HG1 THR A 27 -9.265 2.066 2.699 1.00 2.59 H ATOM 470 HG21 THR A 27 -8.717 -1.323 3.052 1.00 2.64 H ATOM 471 HG22 THR A 27 -10.284 -1.473 3.847 1.00 2.34 H ATOM 472 HG23 THR A 27 -9.104 -0.301 4.434 1.00 2.33 H ATOM 473 N GLY A 28 -11.257 0.858 -0.628 1.00 1.76 N ATOM 474 CA GLY A 28 -12.068 1.755 -1.416 1.00 2.63 C ATOM 475 C GLY A 28 -13.190 1.019 -2.109 1.00 2.96 C ATOM 476 O GLY A 28 -12.977 -0.067 -2.652 1.00 3.50 O ATOM 477 H GLY A 28 -10.475 0.432 -1.029 1.00 2.05 H ATOM 478 HA2 GLY A 28 -12.484 2.511 -0.768 1.00 3.01 H ATOM 479 HA3 GLY A 28 -11.448 2.230 -2.161 1.00 3.11 H ATOM 480 N GLU A 29 -14.382 1.589 -2.088 1.00 3.27 N ATOM 481 CA GLU A 29 -15.534 0.945 -2.692 1.00 3.97 C ATOM 482 C GLU A 29 -15.522 1.129 -4.205 1.00 4.68 C ATOM 483 O GLU A 29 -15.137 2.184 -4.711 1.00 5.51 O ATOM 484 CB GLU A 29 -16.835 1.495 -2.101 1.00 4.55 C ATOM 485 CG GLU A 29 -17.004 2.998 -2.269 1.00 5.26 C ATOM 486 CD GLU A 29 -18.331 3.490 -1.742 1.00 6.09 C ATOM 487 OE1 GLU A 29 -18.430 3.754 -0.526 1.00 6.58 O ATOM 488 OE2 GLU A 29 -19.284 3.605 -2.537 1.00 6.49 O1- ATOM 489 H GLU A 29 -14.489 2.465 -1.664 1.00 3.40 H ATOM 490 HA GLU A 29 -15.467 -0.111 -2.473 1.00 4.05 H ATOM 491 HB2 GLU A 29 -17.669 1.010 -2.583 1.00 4.68 H ATOM 492 HB3 GLU A 29 -16.861 1.269 -1.045 1.00 4.82 H ATOM 493 HG2 GLU A 29 -16.213 3.501 -1.734 1.00 5.48 H ATOM 494 HG3 GLU A 29 -16.936 3.240 -3.318 1.00 5.34 H ATOM 495 N LYS A 30 -15.936 0.097 -4.922 1.00 4.75 N ATOM 496 CA LYS A 30 -15.983 0.154 -6.372 1.00 5.79 C ATOM 497 C LYS A 30 -17.400 -0.104 -6.858 1.00 6.33 C ATOM 498 O LYS A 30 -17.788 -1.243 -7.107 1.00 7.00 O ATOM 499 CB LYS A 30 -15.015 -0.860 -6.994 1.00 6.19 C ATOM 500 CG LYS A 30 -13.571 -0.680 -6.548 1.00 6.60 C ATOM 501 CD LYS A 30 -12.618 -1.567 -7.340 1.00 7.40 C ATOM 502 CE LYS A 30 -12.934 -3.045 -7.168 1.00 8.28 C ATOM 503 NZ LYS A 30 -12.788 -3.488 -5.756 1.00 8.46 N1+ ATOM 504 H LYS A 30 -16.225 -0.722 -4.464 1.00 4.36 H ATOM 505 HA LYS A 30 -15.690 1.150 -6.671 1.00 6.29 H ATOM 506 HB2 LYS A 30 -15.332 -1.856 -6.721 1.00 5.94 H ATOM 507 HB3 LYS A 30 -15.052 -0.762 -8.069 1.00 6.82 H ATOM 508 HG2 LYS A 30 -13.286 0.351 -6.689 1.00 6.55 H ATOM 509 HG3 LYS A 30 -13.495 -0.935 -5.500 1.00 6.72 H ATOM 510 HD2 LYS A 30 -12.696 -1.315 -8.386 1.00 7.64 H ATOM 511 HD3 LYS A 30 -11.608 -1.382 -7.001 1.00 7.39 H ATOM 512 HE2 LYS A 30 -13.951 -3.222 -7.485 1.00 8.70 H ATOM 513 HE3 LYS A 30 -12.261 -3.619 -7.788 1.00 8.65 H ATOM 514 HZ1 LYS A 30 -11.817 -3.316 -5.425 1.00 8.39 H ATOM 515 HZ2 LYS A 30 -12.998 -4.502 -5.674 1.00 8.58 H ATOM 516 HZ3 LYS A 30 -13.445 -2.963 -5.145 1.00 8.79 H HETATM 517 N NH2 A 31 -18.177 0.956 -6.976 1.00 6.36 N HETATM 518 HN1 NH2 A 31 -17.797 1.836 -6.757 1.00 6.02 H HETATM 519 HN2 NH2 A 31 -19.103 0.824 -7.273 1.00 6.91 H TER 520 NH2 A 31 HETATM 521 ZN ZN A 101 -2.546 -4.277 -2.670 1.00 0.19 ZN