ATOM 1 N ARG A 1 14.313 -1.288 3.027 1.00 0.94 N ATOM 2 CA ARG A 1 13.060 -1.748 3.668 1.00 0.76 C ATOM 3 C ARG A 1 11.862 -1.195 2.903 1.00 0.57 C ATOM 4 O ARG A 1 11.512 -0.025 3.055 1.00 0.60 O ATOM 5 CB ARG A 1 13.001 -1.274 5.122 1.00 0.96 C ATOM 6 CG ARG A 1 14.244 -1.608 5.931 1.00 1.90 C ATOM 7 CD ARG A 1 14.183 -1.000 7.325 1.00 2.39 C ATOM 8 NE ARG A 1 13.134 -1.600 8.145 1.00 2.87 N ATOM 9 CZ ARG A 1 12.408 -0.932 9.042 1.00 3.54 C ATOM 10 NH1 ARG A 1 12.581 0.376 9.210 1.00 3.82 N1+ ATOM 11 NH2 ARG A 1 11.504 -1.574 9.767 1.00 4.30 N ATOM 12 H1 ARG A 1 14.371 -0.248 3.060 1.00 1.46 H ATOM 13 H2 ARG A 1 14.338 -1.588 2.034 1.00 1.52 H ATOM 14 H3 ARG A 1 15.139 -1.685 3.517 1.00 1.16 H ATOM 15 HA ARG A 1 13.034 -2.827 3.639 1.00 0.83 H ATOM 16 HB2 ARG A 1 12.869 -0.202 5.131 1.00 1.28 H ATOM 17 HB3 ARG A 1 12.150 -1.734 5.601 1.00 1.25 H ATOM 18 HG2 ARG A 1 14.326 -2.682 6.020 1.00 2.21 H ATOM 19 HG3 ARG A 1 15.112 -1.221 5.416 1.00 2.47 H ATOM 20 HD2 ARG A 1 15.137 -1.148 7.811 1.00 2.73 H ATOM 21 HD3 ARG A 1 13.992 0.059 7.231 1.00 2.75 H ATOM 22 HE ARG A 1 12.973 -2.566 8.032 1.00 3.05 H ATOM 23 HH11 ARG A 1 12.032 0.876 9.886 1.00 4.43 H ATOM 24 HH12 ARG A 1 13.263 0.869 8.665 1.00 3.69 H ATOM 25 HH21 ARG A 1 11.366 -2.561 9.643 1.00 4.52 H ATOM 26 HH22 ARG A 1 10.957 -1.080 10.448 1.00 4.84 H ATOM 27 N PRO A 2 11.219 -2.018 2.064 1.00 0.48 N ATOM 28 CA PRO A 2 10.119 -1.568 1.224 1.00 0.37 C ATOM 29 C PRO A 2 8.777 -1.578 1.946 1.00 0.31 C ATOM 30 O PRO A 2 8.590 -2.276 2.947 1.00 0.43 O ATOM 31 CB PRO A 2 10.122 -2.587 0.090 1.00 0.45 C ATOM 32 CG PRO A 2 10.602 -3.852 0.720 1.00 0.58 C ATOM 33 CD PRO A 2 11.502 -3.454 1.872 1.00 0.63 C ATOM 34 HA PRO A 2 10.303 -0.581 0.826 1.00 0.40 H ATOM 35 HB2 PRO A 2 9.120 -2.691 -0.304 1.00 0.46 H ATOM 36 HB3 PRO A 2 10.791 -2.256 -0.692 1.00 0.51 H ATOM 37 HG2 PRO A 2 9.759 -4.418 1.084 1.00 0.60 H ATOM 38 HG3 PRO A 2 11.155 -4.432 -0.005 1.00 0.69 H ATOM 39 HD2 PRO A 2 11.249 -4.017 2.759 1.00 0.74 H ATOM 40 HD3 PRO A 2 12.539 -3.609 1.611 1.00 0.73 H ATOM 41 N PHE A 3 7.852 -0.792 1.431 1.00 0.19 N ATOM 42 CA PHE A 3 6.500 -0.746 1.945 1.00 0.16 C ATOM 43 C PHE A 3 5.610 -1.605 1.061 1.00 0.15 C ATOM 44 O PHE A 3 5.077 -1.135 0.058 1.00 0.18 O ATOM 45 CB PHE A 3 5.999 0.697 1.972 1.00 0.14 C ATOM 46 CG PHE A 3 6.808 1.600 2.858 1.00 0.15 C ATOM 47 CD1 PHE A 3 7.833 2.363 2.330 1.00 0.14 C ATOM 48 CD2 PHE A 3 6.545 1.681 4.215 1.00 0.22 C ATOM 49 CE1 PHE A 3 8.584 3.193 3.141 1.00 0.17 C ATOM 50 CE2 PHE A 3 7.290 2.508 5.030 1.00 0.25 C ATOM 51 CZ PHE A 3 8.295 3.274 4.499 1.00 0.21 C ATOM 52 H PHE A 3 8.087 -0.221 0.667 1.00 0.19 H ATOM 53 HA PHE A 3 6.503 -1.148 2.947 1.00 0.22 H ATOM 54 HB2 PHE A 3 6.032 1.099 0.971 1.00 0.13 H ATOM 55 HB3 PHE A 3 4.982 0.711 2.325 1.00 0.19 H ATOM 56 HD1 PHE A 3 8.046 2.305 1.274 1.00 0.16 H ATOM 57 HD2 PHE A 3 5.744 1.089 4.638 1.00 0.26 H ATOM 58 HE1 PHE A 3 9.382 3.783 2.717 1.00 0.19 H ATOM 59 HE2 PHE A 3 7.077 2.562 6.088 1.00 0.31 H ATOM 60 HZ PHE A 3 8.873 3.924 5.138 1.00 0.24 H HETATM 61 N NLE A 4 5.480 -2.868 1.418 1.00 0.15 N HETATM 62 CA NLE A 4 4.797 -3.831 0.567 1.00 0.15 C HETATM 63 C NLE A 4 3.347 -4.022 0.992 1.00 0.15 C HETATM 64 O NLE A 4 3.034 -4.073 2.183 1.00 0.21 O HETATM 65 CB NLE A 4 5.540 -5.170 0.598 1.00 0.21 C HETATM 66 CG NLE A 4 5.021 -6.188 -0.405 1.00 0.26 C HETATM 67 CD NLE A 4 5.840 -7.468 -0.372 1.00 0.33 C HETATM 68 CE NLE A 4 5.314 -8.451 -1.394 1.00 0.85 C HETATM 69 H NLE A 4 5.844 -3.161 2.278 1.00 0.20 H HETATM 70 HA NLE A 4 4.811 -3.447 -0.439 1.00 0.15 H HETATM 71 HB2 NLE A 4 5.446 -5.593 1.586 1.00 0.25 H HETATM 72 HB3 NLE A 4 6.585 -4.995 0.390 1.00 0.22 H HETATM 73 HG2 NLE A 4 5.073 -5.764 -1.398 1.00 0.26 H HETATM 74 HG3 NLE A 4 3.994 -6.425 -0.167 1.00 0.27 H HETATM 75 HD2 NLE A 4 5.768 -7.914 0.610 1.00 0.80 H HETATM 76 HD3 NLE A 4 6.869 -7.242 -0.604 1.00 0.79 H HETATM 77 HE1 NLE A 4 5.359 -8.006 -2.377 1.00 1.36 H HETATM 78 HE2 NLE A 4 4.291 -8.704 -1.158 1.00 1.52 H HETATM 79 HE3 NLE A 4 5.919 -9.346 -1.376 1.00 1.43 H ATOM 80 N CYS A 5 2.469 -4.098 0.001 1.00 0.13 N ATOM 81 CA CYS A 5 1.064 -4.382 0.231 1.00 0.18 C ATOM 82 C CYS A 5 0.882 -5.790 0.799 1.00 0.29 C ATOM 83 O CYS A 5 1.495 -6.747 0.319 1.00 0.33 O ATOM 84 CB CYS A 5 0.280 -4.230 -1.074 1.00 0.13 C ATOM 85 SG CYS A 5 -1.398 -4.883 -0.988 1.00 0.20 S ATOM 86 H CYS A 5 2.778 -3.946 -0.920 1.00 0.11 H ATOM 87 HA CYS A 5 0.694 -3.667 0.947 1.00 0.26 H ATOM 88 HB2 CYS A 5 0.212 -3.180 -1.326 1.00 0.17 H ATOM 89 HB3 CYS A 5 0.799 -4.751 -1.862 1.00 0.13 H ATOM 90 N THR A 6 0.043 -5.910 1.821 1.00 0.42 N ATOM 91 CA THR A 6 -0.158 -7.179 2.506 1.00 0.57 C ATOM 92 C THR A 6 -1.548 -7.762 2.249 1.00 0.46 C ATOM 93 O THR A 6 -2.056 -8.553 3.049 1.00 0.49 O ATOM 94 CB THR A 6 0.044 -7.007 4.023 1.00 0.85 C ATOM 95 OG1 THR A 6 -0.717 -5.881 4.491 1.00 1.31 O ATOM 96 CG2 THR A 6 1.516 -6.808 4.357 1.00 1.22 C ATOM 97 H THR A 6 -0.448 -5.119 2.131 1.00 0.45 H ATOM 98 HA THR A 6 0.585 -7.874 2.144 1.00 0.64 H ATOM 99 HB THR A 6 -0.305 -7.900 4.520 1.00 0.76 H ATOM 100 HG1 THR A 6 -1.653 -6.117 4.528 1.00 1.76 H ATOM 101 HG21 THR A 6 1.882 -5.925 3.854 1.00 1.66 H ATOM 102 HG22 THR A 6 2.079 -7.669 4.031 1.00 1.79 H ATOM 103 HG23 THR A 6 1.630 -6.688 5.426 1.00 1.53 H ATOM 104 N TRP A 7 -2.165 -7.380 1.139 1.00 0.44 N ATOM 105 CA TRP A 7 -3.494 -7.872 0.818 1.00 0.38 C ATOM 106 C TRP A 7 -3.426 -8.923 -0.285 1.00 0.51 C ATOM 107 O TRP A 7 -3.456 -8.600 -1.473 1.00 0.61 O ATOM 108 CB TRP A 7 -4.401 -6.723 0.394 1.00 0.39 C ATOM 109 CG TRP A 7 -5.845 -7.111 0.315 1.00 0.42 C ATOM 110 CD1 TRP A 7 -6.472 -7.723 -0.727 1.00 0.49 C ATOM 111 CD2 TRP A 7 -6.842 -6.904 1.319 1.00 0.51 C ATOM 112 NE1 TRP A 7 -7.798 -7.915 -0.433 1.00 0.57 N ATOM 113 CE2 TRP A 7 -8.051 -7.418 0.818 1.00 0.59 C ATOM 114 CE3 TRP A 7 -6.829 -6.335 2.593 1.00 0.62 C ATOM 115 CZ2 TRP A 7 -9.234 -7.380 1.546 1.00 0.73 C ATOM 116 CZ3 TRP A 7 -8.004 -6.296 3.316 1.00 0.78 C ATOM 117 CH2 TRP A 7 -9.193 -6.816 2.791 1.00 0.82 C ATOM 118 H TRP A 7 -1.721 -6.758 0.524 1.00 0.52 H ATOM 119 HA TRP A 7 -3.902 -8.328 1.707 1.00 0.36 H ATOM 120 HB2 TRP A 7 -4.310 -5.917 1.104 1.00 0.42 H ATOM 121 HB3 TRP A 7 -4.095 -6.373 -0.580 1.00 0.45 H ATOM 122 HD1 TRP A 7 -5.981 -8.011 -1.643 1.00 0.55 H ATOM 123 HE1 TRP A 7 -8.457 -8.338 -1.025 1.00 0.66 H ATOM 124 HE3 TRP A 7 -5.920 -5.931 3.013 1.00 0.64 H ATOM 125 HZ2 TRP A 7 -10.159 -7.777 1.156 1.00 0.80 H ATOM 126 HZ3 TRP A 7 -8.013 -5.859 4.303 1.00 0.91 H ATOM 127 HH2 TRP A 7 -10.088 -6.763 3.390 1.00 0.95 H HETATM 128 N ORN A 8 -2.430 -13.089 -4.760 1.00 0.96 N HETATM 129 CA ORN A 8 -2.460 -12.053 -3.707 1.00 0.74 C HETATM 130 CB ORN A 8 -1.794 -12.575 -2.429 1.00 0.85 C HETATM 131 CG ORN A 8 -1.820 -11.580 -1.279 1.00 0.95 C HETATM 132 CD ORN A 8 -3.241 -11.310 -0.807 1.00 0.76 C HETATM 133 NE ORN A 8 -3.311 -10.180 0.112 1.00 0.57 N HETATM 134 C ORN A 8 -1.750 -10.796 -4.188 1.00 0.57 C HETATM 135 O ORN A 8 -0.685 -10.870 -4.806 1.00 0.62 O HETATM 136 H ORN A 8 -2.924 -13.944 -4.438 1.00 1.31 H HETATM 137 HA ORN A 8 -3.490 -11.813 -3.498 1.00 0.68 H HETATM 138 HB2 ORN A 8 -0.764 -12.816 -2.645 1.00 1.41 H HETATM 139 HB3 ORN A 8 -2.305 -13.470 -2.110 1.00 1.23 H HETATM 140 HG2 ORN A 8 -1.376 -10.652 -1.608 1.00 1.68 H HETATM 141 HG3 ORN A 8 -1.249 -11.983 -0.455 1.00 1.12 H HETATM 142 HD2 ORN A 8 -3.613 -12.190 -0.308 1.00 0.81 H HETATM 143 HD3 ORN A 8 -3.859 -11.096 -1.665 1.00 0.75 H HETATM 144 HE1 ORN A 8 -3.267 -10.368 1.072 1.00 0.53 H HETATM 145 HT3 ORN A 8 -2.893 -12.737 -5.620 1.00 1.21 H ATOM 146 N CYS A 9 -2.340 -9.648 -3.910 1.00 0.41 N ATOM 147 CA CYS A 9 -1.743 -8.382 -4.277 1.00 0.30 C ATOM 148 C CYS A 9 -0.542 -8.104 -3.375 1.00 0.26 C ATOM 149 O CYS A 9 -0.609 -8.310 -2.163 1.00 0.34 O ATOM 150 CB CYS A 9 -2.782 -7.270 -4.160 1.00 0.29 C ATOM 151 SG CYS A 9 -2.166 -5.634 -4.586 1.00 0.23 S ATOM 152 H CYS A 9 -3.196 -9.648 -3.423 1.00 0.39 H ATOM 153 HA CYS A 9 -1.410 -8.454 -5.300 1.00 0.32 H ATOM 154 HB2 CYS A 9 -3.612 -7.489 -4.816 1.00 0.33 H ATOM 155 HB3 CYS A 9 -3.137 -7.232 -3.142 1.00 0.30 H ATOM 156 N GLY A 10 0.556 -7.659 -3.964 1.00 0.25 N ATOM 157 CA GLY A 10 1.762 -7.444 -3.199 1.00 0.27 C ATOM 158 C GLY A 10 2.656 -6.397 -3.817 1.00 0.21 C ATOM 159 O GLY A 10 3.864 -6.596 -3.941 1.00 0.30 O ATOM 160 H GLY A 10 0.546 -7.468 -4.926 1.00 0.32 H ATOM 161 HA2 GLY A 10 1.493 -7.130 -2.202 1.00 0.31 H ATOM 162 HA3 GLY A 10 2.304 -8.375 -3.139 1.00 0.34 H ATOM 163 N LYS A 11 2.064 -5.283 -4.218 1.00 0.17 N ATOM 164 CA LYS A 11 2.829 -4.185 -4.786 1.00 0.16 C ATOM 165 C LYS A 11 3.686 -3.540 -3.706 1.00 0.16 C ATOM 166 O LYS A 11 3.205 -3.265 -2.606 1.00 0.21 O ATOM 167 CB LYS A 11 1.902 -3.146 -5.423 1.00 0.24 C ATOM 168 CG LYS A 11 1.095 -3.686 -6.590 1.00 0.75 C ATOM 169 CD LYS A 11 0.429 -2.568 -7.372 1.00 0.58 C ATOM 170 CE LYS A 11 -0.380 -3.112 -8.537 1.00 1.49 C ATOM 171 NZ LYS A 11 -0.959 -2.023 -9.364 1.00 2.05 N1+ ATOM 172 H LYS A 11 1.094 -5.197 -4.124 1.00 0.24 H ATOM 173 HA LYS A 11 3.477 -4.593 -5.547 1.00 0.18 H ATOM 174 HB2 LYS A 11 1.212 -2.788 -4.673 1.00 0.71 H ATOM 175 HB3 LYS A 11 2.497 -2.317 -5.777 1.00 0.81 H ATOM 176 HG2 LYS A 11 1.753 -4.229 -7.248 1.00 1.30 H ATOM 177 HG3 LYS A 11 0.331 -4.350 -6.210 1.00 1.24 H ATOM 178 HD2 LYS A 11 -0.228 -2.023 -6.712 1.00 0.70 H ATOM 179 HD3 LYS A 11 1.191 -1.904 -7.752 1.00 0.86 H ATOM 180 HE2 LYS A 11 0.266 -3.719 -9.154 1.00 2.21 H ATOM 181 HE3 LYS A 11 -1.179 -3.723 -8.147 1.00 1.86 H ATOM 182 HZ1 LYS A 11 -1.532 -1.389 -8.771 1.00 2.40 H ATOM 183 HZ2 LYS A 11 -1.564 -2.420 -10.109 1.00 2.57 H ATOM 184 HZ3 LYS A 11 -0.201 -1.469 -9.809 1.00 2.43 H ATOM 185 N ARG A 12 4.956 -3.327 -4.011 1.00 0.14 N ATOM 186 CA ARG A 12 5.874 -2.734 -3.051 1.00 0.17 C ATOM 187 C ARG A 12 6.133 -1.276 -3.398 1.00 0.15 C ATOM 188 O ARG A 12 6.247 -0.914 -4.570 1.00 0.24 O ATOM 189 CB ARG A 12 7.197 -3.512 -3.001 1.00 0.26 C ATOM 190 CG ARG A 12 7.994 -3.453 -4.293 1.00 0.83 C ATOM 191 CD ARG A 12 9.365 -4.090 -4.140 1.00 0.78 C ATOM 192 NE ARG A 12 10.195 -3.867 -5.321 1.00 1.85 N ATOM 193 CZ ARG A 12 11.507 -4.098 -5.369 1.00 2.32 C ATOM 194 NH1 ARG A 12 12.135 -4.619 -4.321 1.00 2.15 N1+ ATOM 195 NH2 ARG A 12 12.190 -3.814 -6.469 1.00 3.36 N ATOM 196 H ARG A 12 5.280 -3.565 -4.904 1.00 0.14 H ATOM 197 HA ARG A 12 5.405 -2.775 -2.082 1.00 0.21 H ATOM 198 HB2 ARG A 12 7.809 -3.108 -2.209 1.00 0.90 H ATOM 199 HB3 ARG A 12 6.982 -4.549 -2.785 1.00 0.85 H ATOM 200 HG2 ARG A 12 7.451 -3.980 -5.062 1.00 1.33 H ATOM 201 HG3 ARG A 12 8.116 -2.418 -4.581 1.00 1.38 H ATOM 202 HD2 ARG A 12 9.856 -3.660 -3.278 1.00 0.99 H ATOM 203 HD3 ARG A 12 9.242 -5.153 -3.992 1.00 0.93 H ATOM 204 HE ARG A 12 9.748 -3.507 -6.123 1.00 2.49 H ATOM 205 HH11 ARG A 12 11.627 -4.841 -3.487 1.00 1.82 H ATOM 206 HH12 ARG A 12 13.122 -4.790 -4.361 1.00 2.73 H ATOM 207 HH21 ARG A 12 13.178 -3.989 -6.508 1.00 3.75 H ATOM 208 HH22 ARG A 12 11.727 -3.412 -7.263 1.00 3.87 H ATOM 209 N PHE A 13 6.210 -0.444 -2.375 1.00 0.10 N ATOM 210 CA PHE A 13 6.398 0.983 -2.555 1.00 0.10 C ATOM 211 C PHE A 13 7.604 1.455 -1.756 1.00 0.12 C ATOM 212 O PHE A 13 7.976 0.840 -0.760 1.00 0.18 O ATOM 213 CB PHE A 13 5.140 1.727 -2.106 1.00 0.12 C ATOM 214 CG PHE A 13 3.906 1.284 -2.838 1.00 0.14 C ATOM 215 CD1 PHE A 13 3.517 1.912 -4.007 1.00 0.19 C ATOM 216 CD2 PHE A 13 3.145 0.232 -2.360 1.00 0.16 C ATOM 217 CE1 PHE A 13 2.389 1.500 -4.686 1.00 0.22 C ATOM 218 CE2 PHE A 13 2.017 -0.186 -3.032 1.00 0.20 C ATOM 219 CZ PHE A 13 1.637 0.449 -4.197 1.00 0.21 C ATOM 220 H PHE A 13 6.126 -0.798 -1.461 1.00 0.14 H ATOM 221 HA PHE A 13 6.566 1.173 -3.604 1.00 0.13 H ATOM 222 HB2 PHE A 13 4.981 1.554 -1.052 1.00 0.12 H ATOM 223 HB3 PHE A 13 5.269 2.785 -2.280 1.00 0.14 H ATOM 224 HD1 PHE A 13 4.105 2.732 -4.389 1.00 0.21 H ATOM 225 HD2 PHE A 13 3.445 -0.266 -1.449 1.00 0.16 H ATOM 226 HE1 PHE A 13 2.095 1.997 -5.598 1.00 0.27 H ATOM 227 HE2 PHE A 13 1.430 -1.008 -2.647 1.00 0.22 H ATOM 228 HZ PHE A 13 0.754 0.124 -4.725 1.00 0.25 H ATOM 229 N THR A 14 8.225 2.531 -2.207 1.00 0.15 N ATOM 230 CA THR A 14 9.371 3.095 -1.515 1.00 0.17 C ATOM 231 C THR A 14 8.937 4.185 -0.539 1.00 0.13 C ATOM 232 O THR A 14 9.762 4.778 0.155 1.00 0.24 O ATOM 233 CB THR A 14 10.392 3.672 -2.515 1.00 0.28 C ATOM 234 OG1 THR A 14 9.711 4.451 -3.509 1.00 0.85 O ATOM 235 CG2 THR A 14 11.185 2.564 -3.191 1.00 0.95 C ATOM 236 H THR A 14 7.912 2.958 -3.035 1.00 0.20 H ATOM 237 HA THR A 14 9.850 2.301 -0.960 1.00 0.23 H ATOM 238 HB THR A 14 11.077 4.311 -1.978 1.00 0.82 H ATOM 239 HG1 THR A 14 10.360 4.846 -4.106 1.00 1.26 H ATOM 240 HG21 THR A 14 11.892 2.998 -3.882 1.00 1.58 H ATOM 241 HG22 THR A 14 10.510 1.915 -3.728 1.00 1.36 H ATOM 242 HG23 THR A 14 11.716 1.991 -2.444 1.00 1.65 H ATOM 243 N ARG A 15 7.635 4.438 -0.487 1.00 0.13 N ATOM 244 CA ARG A 15 7.083 5.467 0.385 1.00 0.18 C ATOM 245 C ARG A 15 5.817 4.951 1.060 1.00 0.14 C ATOM 246 O ARG A 15 4.954 4.347 0.414 1.00 0.13 O ATOM 247 CB ARG A 15 6.770 6.735 -0.416 1.00 0.31 C ATOM 248 CG ARG A 15 7.988 7.373 -1.062 1.00 0.38 C ATOM 249 CD ARG A 15 8.982 7.874 -0.029 1.00 0.91 C ATOM 250 NE ARG A 15 10.196 8.395 -0.650 1.00 1.61 N ATOM 251 CZ ARG A 15 10.693 9.608 -0.422 1.00 2.07 C ATOM 252 NH1 ARG A 15 10.071 10.446 0.398 1.00 1.87 N1+ ATOM 253 NH2 ARG A 15 11.815 9.983 -1.018 1.00 3.12 N ATOM 254 H ARG A 15 7.024 3.909 -1.041 1.00 0.20 H ATOM 255 HA ARG A 15 7.820 5.694 1.141 1.00 0.22 H ATOM 256 HB2 ARG A 15 6.068 6.486 -1.197 1.00 0.37 H ATOM 257 HB3 ARG A 15 6.317 7.460 0.243 1.00 0.40 H ATOM 258 HG2 ARG A 15 8.474 6.639 -1.685 1.00 0.69 H ATOM 259 HG3 ARG A 15 7.663 8.204 -1.670 1.00 0.59 H ATOM 260 HD2 ARG A 15 8.520 8.655 0.548 1.00 1.32 H ATOM 261 HD3 ARG A 15 9.248 7.056 0.624 1.00 1.67 H ATOM 262 HE ARG A 15 10.673 7.798 -1.268 1.00 2.18 H ATOM 263 HH11 ARG A 15 9.219 10.172 0.853 1.00 1.78 H ATOM 264 HH12 ARG A 15 10.450 11.358 0.570 1.00 2.28 H ATOM 265 HH21 ARG A 15 12.290 9.356 -1.641 1.00 3.70 H ATOM 266 HH22 ARG A 15 12.194 10.895 -0.851 1.00 3.46 H ATOM 267 N SER A 16 5.723 5.192 2.364 1.00 0.15 N ATOM 268 CA SER A 16 4.603 4.709 3.160 1.00 0.14 C ATOM 269 C SER A 16 3.298 5.343 2.699 1.00 0.12 C ATOM 270 O SER A 16 2.264 4.689 2.681 1.00 0.15 O ATOM 271 CB SER A 16 4.829 5.000 4.649 1.00 0.22 C ATOM 272 OG SER A 16 3.789 4.455 5.447 1.00 1.22 O ATOM 273 H SER A 16 6.432 5.711 2.804 1.00 0.19 H ATOM 274 HA SER A 16 4.537 3.640 3.021 1.00 0.16 H ATOM 275 HB2 SER A 16 5.766 4.564 4.961 1.00 0.90 H ATOM 276 HB3 SER A 16 4.863 6.068 4.805 1.00 1.04 H ATOM 277 HG SER A 16 4.133 4.256 6.326 1.00 1.52 H ATOM 278 N ASP A 17 3.361 6.610 2.315 1.00 0.14 N ATOM 279 CA ASP A 17 2.185 7.333 1.847 1.00 0.19 C ATOM 280 C ASP A 17 1.668 6.745 0.538 1.00 0.16 C ATOM 281 O ASP A 17 0.459 6.699 0.304 1.00 0.18 O ATOM 282 CB ASP A 17 2.500 8.826 1.693 1.00 0.28 C ATOM 283 CG ASP A 17 3.769 9.097 0.907 1.00 1.40 C ATOM 284 OD1 ASP A 17 3.676 9.668 -0.203 1.00 2.04 O ATOM 285 OD2 ASP A 17 4.860 8.718 1.378 1.00 2.15 O1- ATOM 286 H ASP A 17 4.224 7.078 2.344 1.00 0.15 H ATOM 287 HA ASP A 17 1.416 7.218 2.595 1.00 0.24 H ATOM 288 HB2 ASP A 17 1.681 9.303 1.181 1.00 1.06 H ATOM 289 HB3 ASP A 17 2.606 9.265 2.673 1.00 0.95 H ATOM 290 N GLU A 18 2.584 6.269 -0.297 1.00 0.15 N ATOM 291 CA GLU A 18 2.212 5.569 -1.519 1.00 0.16 C ATOM 292 C GLU A 18 1.473 4.284 -1.174 1.00 0.11 C ATOM 293 O GLU A 18 0.406 3.998 -1.724 1.00 0.13 O ATOM 294 CB GLU A 18 3.450 5.239 -2.355 1.00 0.25 C ATOM 295 CG GLU A 18 4.157 6.452 -2.928 1.00 0.40 C ATOM 296 CD GLU A 18 3.315 7.199 -3.940 1.00 1.31 C ATOM 297 OE1 GLU A 18 2.928 8.350 -3.667 1.00 2.28 O ATOM 298 OE2 GLU A 18 3.031 6.633 -5.015 1.00 1.61 O1- ATOM 299 H GLU A 18 3.531 6.389 -0.084 1.00 0.16 H ATOM 300 HA GLU A 18 1.557 6.210 -2.088 1.00 0.24 H ATOM 301 HB2 GLU A 18 4.154 4.706 -1.735 1.00 0.27 H ATOM 302 HB3 GLU A 18 3.153 4.603 -3.174 1.00 0.28 H ATOM 303 HG2 GLU A 18 4.397 7.128 -2.119 1.00 0.80 H ATOM 304 HG3 GLU A 18 5.068 6.125 -3.407 1.00 0.93 H ATOM 305 N LEU A 19 2.038 3.524 -0.241 1.00 0.11 N ATOM 306 CA LEU A 19 1.436 2.270 0.188 1.00 0.12 C ATOM 307 C LEU A 19 0.087 2.508 0.851 1.00 0.12 C ATOM 308 O LEU A 19 -0.844 1.742 0.650 1.00 0.14 O ATOM 309 CB LEU A 19 2.358 1.520 1.151 1.00 0.14 C ATOM 310 CG LEU A 19 1.735 0.275 1.795 1.00 0.15 C ATOM 311 CD1 LEU A 19 1.337 -0.741 0.734 1.00 0.17 C ATOM 312 CD2 LEU A 19 2.692 -0.350 2.797 1.00 0.17 C ATOM 313 H LEU A 19 2.884 3.816 0.168 1.00 0.12 H ATOM 314 HA LEU A 19 1.283 1.664 -0.692 1.00 0.14 H ATOM 315 HB2 LEU A 19 3.245 1.221 0.611 1.00 0.15 H ATOM 316 HB3 LEU A 19 2.647 2.197 1.938 1.00 0.15 H ATOM 317 HG LEU A 19 0.838 0.567 2.327 1.00 0.15 H ATOM 318 HD11 LEU A 19 2.218 -1.069 0.200 1.00 0.93 H ATOM 319 HD12 LEU A 19 0.645 -0.288 0.041 1.00 0.92 H ATOM 320 HD13 LEU A 19 0.866 -1.589 1.207 1.00 0.94 H ATOM 321 HD21 LEU A 19 3.034 0.407 3.489 1.00 0.94 H ATOM 322 HD22 LEU A 19 3.539 -0.770 2.273 1.00 1.07 H ATOM 323 HD23 LEU A 19 2.183 -1.131 3.340 1.00 1.03 H ATOM 324 N GLN A 20 -0.013 3.566 1.642 1.00 0.15 N ATOM 325 CA GLN A 20 -1.260 3.897 2.320 1.00 0.19 C ATOM 326 C GLN A 20 -2.352 4.209 1.307 1.00 0.15 C ATOM 327 O GLN A 20 -3.485 3.733 1.429 1.00 0.16 O ATOM 328 CB GLN A 20 -1.063 5.080 3.267 1.00 0.27 C ATOM 329 CG GLN A 20 -0.143 4.773 4.440 1.00 1.15 C ATOM 330 CD GLN A 20 0.119 5.981 5.313 1.00 1.67 C ATOM 331 OE1 GLN A 20 -0.736 6.857 5.459 1.00 2.11 O ATOM 332 NE2 GLN A 20 1.308 6.047 5.886 1.00 2.50 N ATOM 333 H GLN A 20 0.775 4.137 1.779 1.00 0.17 H ATOM 334 HA GLN A 20 -1.559 3.034 2.895 1.00 0.23 H ATOM 335 HB2 GLN A 20 -0.640 5.904 2.713 1.00 0.82 H ATOM 336 HB3 GLN A 20 -2.023 5.376 3.659 1.00 0.82 H ATOM 337 HG2 GLN A 20 -0.598 4.006 5.045 1.00 1.84 H ATOM 338 HG3 GLN A 20 0.801 4.414 4.056 1.00 1.71 H ATOM 339 HE21 GLN A 20 1.948 5.321 5.713 1.00 2.87 H ATOM 340 HE22 GLN A 20 1.505 6.815 6.462 1.00 3.01 H ATOM 341 N ARG A 21 -2.003 4.996 0.295 1.00 0.15 N ATOM 342 CA ARG A 21 -2.940 5.312 -0.773 1.00 0.19 C ATOM 343 C ARG A 21 -3.380 4.031 -1.470 1.00 0.14 C ATOM 344 O ARG A 21 -4.574 3.796 -1.672 1.00 0.16 O ATOM 345 CB ARG A 21 -2.304 6.263 -1.786 1.00 0.28 C ATOM 346 CG ARG A 21 -3.290 6.816 -2.803 1.00 0.90 C ATOM 347 CD ARG A 21 -2.588 7.684 -3.836 1.00 0.92 C ATOM 348 NE ARG A 21 -1.667 6.905 -4.664 1.00 1.52 N ATOM 349 CZ ARG A 21 -0.342 7.056 -4.654 1.00 1.91 C ATOM 350 NH1 ARG A 21 0.225 7.937 -3.841 1.00 1.87 N1+ ATOM 351 NH2 ARG A 21 0.416 6.317 -5.449 1.00 2.78 N ATOM 352 H ARG A 21 -1.093 5.378 0.271 1.00 0.17 H ATOM 353 HA ARG A 21 -3.802 5.788 -0.334 1.00 0.24 H ATOM 354 HB2 ARG A 21 -1.858 7.090 -1.258 1.00 0.71 H ATOM 355 HB3 ARG A 21 -1.531 5.733 -2.321 1.00 0.85 H ATOM 356 HG2 ARG A 21 -3.774 5.992 -3.306 1.00 1.39 H ATOM 357 HG3 ARG A 21 -4.028 7.411 -2.287 1.00 1.31 H ATOM 358 HD2 ARG A 21 -3.332 8.139 -4.472 1.00 1.26 H ATOM 359 HD3 ARG A 21 -2.034 8.456 -3.325 1.00 1.23 H ATOM 360 HE ARG A 21 -2.065 6.236 -5.269 1.00 2.02 H ATOM 361 HH11 ARG A 21 -0.338 8.495 -3.227 1.00 1.76 H ATOM 362 HH12 ARG A 21 1.228 8.050 -3.835 1.00 2.33 H ATOM 363 HH21 ARG A 21 -0.002 5.640 -6.063 1.00 3.23 H ATOM 364 HH22 ARG A 21 1.422 6.426 -5.438 1.00 3.13 H ATOM 365 N HIS A 22 -2.403 3.194 -1.812 1.00 0.11 N ATOM 366 CA HIS A 22 -2.674 1.915 -2.445 1.00 0.09 C ATOM 367 C HIS A 22 -3.554 1.046 -1.549 1.00 0.11 C ATOM 368 O HIS A 22 -4.511 0.433 -2.008 1.00 0.15 O ATOM 369 CB HIS A 22 -1.366 1.176 -2.756 1.00 0.11 C ATOM 370 CG HIS A 22 -1.599 -0.229 -3.210 1.00 0.11 C ATOM 371 ND1 HIS A 22 -1.751 -0.599 -4.539 1.00 0.18 N ATOM 372 CD2 HIS A 22 -1.818 -1.350 -2.475 1.00 0.11 C ATOM 373 CE1 HIS A 22 -2.076 -1.900 -4.563 1.00 0.21 C ATOM 374 NE2 HIS A 22 -2.124 -2.368 -3.344 1.00 0.15 N ATOM 375 H HIS A 22 -1.469 3.447 -1.633 1.00 0.13 H ATOM 376 HA HIS A 22 -3.198 2.108 -3.369 1.00 0.11 H ATOM 377 HB2 HIS A 22 -0.836 1.700 -3.537 1.00 0.14 H ATOM 378 HB3 HIS A 22 -0.754 1.144 -1.866 1.00 0.12 H ATOM 379 HD1 HIS A 22 -1.651 -0.008 -5.319 1.00 0.24 H ATOM 380 HD2 HIS A 22 -1.744 -1.443 -1.400 1.00 0.14 H ATOM 381 HE1 HIS A 22 -2.266 -2.475 -5.456 1.00 0.28 H ATOM 382 N LYS A 23 -3.205 0.997 -0.276 1.00 0.13 N ATOM 383 CA LYS A 23 -3.913 0.194 0.709 1.00 0.18 C ATOM 384 C LYS A 23 -5.396 0.537 0.717 1.00 0.17 C ATOM 385 O LYS A 23 -6.247 -0.331 0.921 1.00 0.21 O ATOM 386 CB LYS A 23 -3.297 0.439 2.089 1.00 0.26 C ATOM 387 CG LYS A 23 -3.896 -0.378 3.220 1.00 0.57 C ATOM 388 CD LYS A 23 -3.668 -1.867 3.030 1.00 0.99 C ATOM 389 CE LYS A 23 -3.767 -2.613 4.350 1.00 1.50 C ATOM 390 NZ LYS A 23 -5.015 -2.288 5.094 1.00 1.93 N1+ ATOM 391 H LYS A 23 -2.426 1.520 0.016 1.00 0.13 H ATOM 392 HA LYS A 23 -3.794 -0.845 0.444 1.00 0.24 H ATOM 393 HB2 LYS A 23 -2.243 0.212 2.038 1.00 0.56 H ATOM 394 HB3 LYS A 23 -3.414 1.486 2.334 1.00 0.66 H ATOM 395 HG2 LYS A 23 -3.443 -0.074 4.150 1.00 1.21 H ATOM 396 HG3 LYS A 23 -4.959 -0.191 3.256 1.00 1.27 H ATOM 397 HD2 LYS A 23 -4.415 -2.253 2.353 1.00 1.75 H ATOM 398 HD3 LYS A 23 -2.684 -2.022 2.611 1.00 1.44 H ATOM 399 HE2 LYS A 23 -3.746 -3.672 4.150 1.00 1.79 H ATOM 400 HE3 LYS A 23 -2.915 -2.347 4.962 1.00 2.05 H ATOM 401 HZ1 LYS A 23 -5.852 -2.501 4.510 1.00 2.29 H ATOM 402 HZ2 LYS A 23 -5.033 -1.280 5.346 1.00 2.36 H ATOM 403 HZ3 LYS A 23 -5.065 -2.853 5.968 1.00 2.11 H ATOM 404 N ARG A 24 -5.700 1.800 0.441 1.00 0.17 N ATOM 405 CA ARG A 24 -7.074 2.276 0.459 1.00 0.23 C ATOM 406 C ARG A 24 -7.868 1.782 -0.756 1.00 0.22 C ATOM 407 O ARG A 24 -9.049 2.104 -0.899 1.00 0.33 O ATOM 408 CB ARG A 24 -7.101 3.802 0.549 1.00 0.34 C ATOM 409 CG ARG A 24 -6.624 4.322 1.896 1.00 0.92 C ATOM 410 CD ARG A 24 -6.578 5.840 1.935 1.00 0.92 C ATOM 411 NE ARG A 24 -6.200 6.335 3.260 1.00 1.57 N ATOM 412 CZ ARG A 24 -5.756 7.566 3.501 1.00 1.89 C ATOM 413 NH1 ARG A 24 -5.599 8.428 2.505 1.00 1.57 N1+ ATOM 414 NH2 ARG A 24 -5.468 7.938 4.743 1.00 2.84 N ATOM 415 H ARG A 24 -4.975 2.433 0.218 1.00 0.18 H ATOM 416 HA ARG A 24 -7.537 1.874 1.347 1.00 0.28 H ATOM 417 HB2 ARG A 24 -6.462 4.211 -0.220 1.00 0.81 H ATOM 418 HB3 ARG A 24 -8.111 4.147 0.390 1.00 0.82 H ATOM 419 HG2 ARG A 24 -7.299 3.973 2.664 1.00 1.39 H ATOM 420 HG3 ARG A 24 -5.633 3.937 2.087 1.00 1.39 H ATOM 421 HD2 ARG A 24 -5.856 6.187 1.211 1.00 1.14 H ATOM 422 HD3 ARG A 24 -7.554 6.224 1.682 1.00 1.40 H ATOM 423 HE ARG A 24 -6.299 5.710 4.015 1.00 2.11 H ATOM 424 HH11 ARG A 24 -5.263 9.355 2.690 1.00 1.94 H ATOM 425 HH12 ARG A 24 -5.819 8.158 1.565 1.00 1.49 H ATOM 426 HH21 ARG A 24 -5.132 8.865 4.924 1.00 3.18 H ATOM 427 HH22 ARG A 24 -5.592 7.295 5.506 1.00 3.39 H ATOM 428 N THR A 25 -7.229 1.003 -1.630 1.00 0.21 N ATOM 429 CA THR A 25 -7.948 0.347 -2.714 1.00 0.27 C ATOM 430 C THR A 25 -8.629 -0.905 -2.181 1.00 0.26 C ATOM 431 O THR A 25 -9.693 -1.305 -2.658 1.00 0.34 O ATOM 432 CB THR A 25 -7.034 -0.053 -3.895 1.00 0.37 C ATOM 433 OG1 THR A 25 -6.083 -1.042 -3.481 1.00 1.28 O ATOM 434 CG2 THR A 25 -6.298 1.151 -4.459 1.00 1.04 C ATOM 435 H THR A 25 -6.258 0.874 -1.545 1.00 0.23 H ATOM 436 HA THR A 25 -8.701 1.030 -3.077 1.00 0.29 H ATOM 437 HB THR A 25 -7.652 -0.472 -4.676 1.00 0.93 H ATOM 438 HG1 THR A 25 -5.307 -0.604 -3.099 1.00 1.45 H ATOM 439 HG21 THR A 25 -7.014 1.862 -4.841 1.00 1.50 H ATOM 440 HG22 THR A 25 -5.645 0.831 -5.258 1.00 1.73 H ATOM 441 HG23 THR A 25 -5.712 1.611 -3.678 1.00 1.63 H ATOM 442 N HIS A 26 -8.001 -1.521 -1.184 1.00 0.22 N ATOM 443 CA HIS A 26 -8.545 -2.717 -0.562 1.00 0.25 C ATOM 444 C HIS A 26 -9.333 -2.334 0.679 1.00 0.32 C ATOM 445 O HIS A 26 -10.478 -2.741 0.861 1.00 0.40 O ATOM 446 CB HIS A 26 -7.434 -3.688 -0.146 1.00 0.27 C ATOM 447 CG HIS A 26 -6.410 -3.997 -1.195 1.00 0.23 C ATOM 448 ND1 HIS A 26 -6.657 -4.751 -2.339 1.00 0.26 N ATOM 449 CD2 HIS A 26 -5.082 -3.714 -1.210 1.00 0.20 C ATOM 450 CE1 HIS A 26 -5.484 -4.908 -2.987 1.00 0.26 C ATOM 451 NE2 HIS A 26 -4.534 -4.298 -2.331 1.00 0.21 N ATOM 452 H HIS A 26 -7.149 -1.159 -0.860 1.00 0.22 H ATOM 453 HA HIS A 26 -9.200 -3.199 -1.268 1.00 0.30 H ATOM 454 HB2 HIS A 26 -6.908 -3.270 0.699 1.00 0.30 H ATOM 455 HB3 HIS A 26 -7.886 -4.622 0.155 1.00 0.34 H ATOM 456 HD1 HIS A 26 -7.529 -5.108 -2.622 1.00 0.30 H ATOM 457 HD2 HIS A 26 -4.541 -3.132 -0.477 1.00 0.20 H ATOM 458 HE1 HIS A 26 -5.350 -5.459 -3.906 1.00 0.32 H ATOM 459 N THR A 27 -8.703 -1.540 1.530 1.00 0.46 N ATOM 460 CA THR A 27 -9.280 -1.161 2.800 1.00 0.61 C ATOM 461 C THR A 27 -9.944 0.210 2.708 1.00 1.09 C ATOM 462 O THR A 27 -9.332 1.240 3.006 1.00 1.74 O ATOM 463 CB THR A 27 -8.201 -1.150 3.898 1.00 1.38 C ATOM 464 OG1 THR A 27 -7.444 -2.370 3.842 1.00 2.22 O ATOM 465 CG2 THR A 27 -8.827 -1.007 5.278 1.00 2.01 C ATOM 466 H THR A 27 -7.819 -1.188 1.288 1.00 0.53 H ATOM 467 HA THR A 27 -10.025 -1.899 3.062 1.00 1.04 H ATOM 468 HB THR A 27 -7.541 -0.313 3.728 1.00 1.93 H ATOM 469 HG1 THR A 27 -8.028 -3.094 3.588 1.00 2.59 H ATOM 470 HG21 THR A 27 -8.047 -0.952 6.023 1.00 2.64 H ATOM 471 HG22 THR A 27 -9.453 -1.863 5.478 1.00 2.34 H ATOM 472 HG23 THR A 27 -9.424 -0.108 5.313 1.00 2.33 H ATOM 473 N GLY A 28 -11.189 0.211 2.272 1.00 1.76 N ATOM 474 CA GLY A 28 -11.958 1.433 2.205 1.00 2.63 C ATOM 475 C GLY A 28 -13.388 1.198 2.628 1.00 2.96 C ATOM 476 O GLY A 28 -13.757 1.461 3.774 1.00 3.50 O ATOM 477 H GLY A 28 -11.598 -0.636 1.996 1.00 2.05 H ATOM 478 HA2 GLY A 28 -11.511 2.167 2.859 1.00 3.01 H ATOM 479 HA3 GLY A 28 -11.945 1.806 1.192 1.00 3.11 H ATOM 480 N GLU A 29 -14.188 0.683 1.711 1.00 3.27 N ATOM 481 CA GLU A 29 -15.562 0.321 2.010 1.00 3.97 C ATOM 482 C GLU A 29 -15.769 -1.164 1.744 1.00 4.68 C ATOM 483 O GLU A 29 -16.364 -1.878 2.553 1.00 5.51 O ATOM 484 CB GLU A 29 -16.535 1.144 1.161 1.00 4.55 C ATOM 485 CG GLU A 29 -17.993 0.921 1.527 1.00 5.26 C ATOM 486 CD GLU A 29 -18.946 1.696 0.643 1.00 6.09 C ATOM 487 OE1 GLU A 29 -19.077 2.922 0.835 1.00 6.58 O ATOM 488 OE2 GLU A 29 -19.581 1.078 -0.235 1.00 6.49 O1- ATOM 489 H GLU A 29 -13.845 0.540 0.805 1.00 3.40 H ATOM 490 HA GLU A 29 -15.741 0.521 3.056 1.00 4.05 H ATOM 491 HB2 GLU A 29 -16.307 2.193 1.283 1.00 4.68 H ATOM 492 HB3 GLU A 29 -16.404 0.875 0.123 1.00 4.82 H ATOM 493 HG2 GLU A 29 -18.216 -0.131 1.432 1.00 5.48 H ATOM 494 HG3 GLU A 29 -18.144 1.228 2.552 1.00 5.34 H ATOM 495 N LYS A 30 -15.265 -1.623 0.608 1.00 4.75 N ATOM 496 CA LYS A 30 -15.397 -3.016 0.219 1.00 5.79 C ATOM 497 C LYS A 30 -14.214 -3.815 0.746 1.00 6.33 C ATOM 498 O LYS A 30 -14.329 -4.557 1.720 1.00 7.00 O ATOM 499 CB LYS A 30 -15.480 -3.140 -1.307 1.00 6.19 C ATOM 500 CG LYS A 30 -16.519 -2.227 -1.943 1.00 6.60 C ATOM 501 CD LYS A 30 -17.912 -2.497 -1.401 1.00 7.40 C ATOM 502 CE LYS A 30 -18.938 -1.561 -2.020 1.00 8.28 C ATOM 503 NZ LYS A 30 -18.997 -1.702 -3.498 1.00 8.46 N1+ ATOM 504 H LYS A 30 -14.787 -1.007 0.013 1.00 4.36 H ATOM 505 HA LYS A 30 -16.306 -3.400 0.660 1.00 6.29 H ATOM 506 HB2 LYS A 30 -14.516 -2.898 -1.727 1.00 5.94 H ATOM 507 HB3 LYS A 30 -15.726 -4.161 -1.560 1.00 6.82 H ATOM 508 HG2 LYS A 30 -16.257 -1.201 -1.737 1.00 6.55 H ATOM 509 HG3 LYS A 30 -16.520 -2.392 -3.011 1.00 6.72 H ATOM 510 HD2 LYS A 30 -18.186 -3.517 -1.626 1.00 7.64 H ATOM 511 HD3 LYS A 30 -17.906 -2.351 -0.331 1.00 7.39 H ATOM 512 HE2 LYS A 30 -19.908 -1.789 -1.607 1.00 8.70 H ATOM 513 HE3 LYS A 30 -18.672 -0.544 -1.774 1.00 8.65 H ATOM 514 HZ1 LYS A 30 -18.089 -1.425 -3.923 1.00 8.39 H ATOM 515 HZ2 LYS A 30 -19.747 -1.096 -3.885 1.00 8.58 H ATOM 516 HZ3 LYS A 30 -19.200 -2.689 -3.758 1.00 8.79 H HETATM 517 N NH2 A 31 -13.063 -3.639 0.120 1.00 6.36 N HETATM 518 HN1 NH2 A 31 -13.042 -3.033 -0.652 1.00 6.02 H HETATM 519 HN2 NH2 A 31 -12.275 -4.112 0.456 1.00 6.91 H TER 520 NH2 A 31 HETATM 521 ZN ZN A 101 -2.602 -4.229 -2.827 1.00 0.19 ZN