HETATM 1 C ACE A 0 0.436 14.703 2.322 1.00 0.00 C HETATM 2 O ACE A 0 -0.749 14.638 2.683 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.415 15.551 3.098 1.00 0.00 C HETATM 4 H1 ACE A 0 1.835 16.321 2.450 1.00 0.00 H HETATM 5 H2 ACE A 0 2.225 14.928 3.479 1.00 0.00 H HETATM 6 H3 ACE A 0 0.897 16.013 3.938 1.00 0.00 H ATOM 7 N LYS A 1 0.955 14.063 1.259 1.00 0.00 N ATOM 8 CA LYS A 1 0.106 13.214 0.432 1.00 0.00 C ATOM 9 C LYS A 1 -0.003 11.887 1.148 1.00 0.00 C ATOM 10 O LYS A 1 0.868 11.053 0.961 1.00 0.00 O ATOM 11 CB LYS A 1 0.721 13.087 -0.989 1.00 0.00 C ATOM 12 CG LYS A 1 -0.138 12.239 -1.978 1.00 0.00 C ATOM 13 CD LYS A 1 -0.684 13.043 -3.184 1.00 0.00 C ATOM 14 CE LYS A 1 -1.867 13.965 -2.791 1.00 0.00 C ATOM 15 NZ LYS A 1 -1.980 15.107 -3.722 1.00 1.00 N ATOM 16 H LYS A 1 1.934 14.122 1.054 1.00 0.00 H ATOM 17 HA LYS A 1 -0.886 13.677 0.315 1.00 0.00 H ATOM 18 HB2 LYS A 1 0.857 14.108 -1.379 1.00 0.00 H ATOM 19 HB3 LYS A 1 1.719 12.627 -0.903 1.00 0.00 H ATOM 20 HG2 LYS A 1 0.507 11.460 -2.415 1.00 0.00 H ATOM 21 HG3 LYS A 1 -0.978 11.751 -1.469 1.00 0.00 H ATOM 22 HD2 LYS A 1 0.144 13.620 -3.623 1.00 0.00 H ATOM 23 HD3 LYS A 1 -1.046 12.338 -3.953 1.00 0.00 H ATOM 24 HE2 LYS A 1 -2.799 13.374 -2.798 1.00 0.00 H ATOM 25 HE3 LYS A 1 -1.726 14.376 -1.783 1.00 0.00 H ATOM 26 HZ1 LYS A 1 -2.035 14.777 -4.750 1.00 0.00 H ATOM 27 HZ2 LYS A 1 -1.124 15.762 -3.617 1.00 0.00 H ATOM 28 HZ3 LYS A 1 -2.860 15.693 -3.495 1.00 0.00 H ATOM 29 N PHE A 2 -1.069 11.688 1.961 1.00 0.00 N ATOM 30 CA PHE A 2 -1.287 10.403 2.628 1.00 0.00 C ATOM 31 C PHE A 2 -2.333 9.638 1.850 1.00 0.00 C ATOM 32 O PHE A 2 -3.249 9.085 2.432 1.00 0.00 O ATOM 33 CB PHE A 2 -1.642 10.592 4.131 1.00 0.00 C ATOM 34 CG PHE A 2 -2.712 11.671 4.360 1.00 0.00 C ATOM 35 CD1 PHE A 2 -4.075 11.372 4.290 1.00 0.00 C ATOM 36 CD2 PHE A 2 -2.325 12.989 4.646 1.00 0.00 C ATOM 37 CE1 PHE A 2 -5.031 12.386 4.380 1.00 0.00 C ATOM 38 CE2 PHE A 2 -3.276 14.000 4.756 1.00 0.00 C ATOM 39 CZ PHE A 2 -4.635 13.706 4.604 1.00 0.00 C ATOM 40 H PHE A 2 -1.769 12.396 2.062 1.00 0.00 H ATOM 41 HA PHE A 2 -0.381 9.776 2.611 1.00 0.00 H ATOM 42 HB2 PHE A 2 -1.968 9.636 4.573 1.00 0.00 H ATOM 43 HB3 PHE A 2 -0.724 10.895 4.657 1.00 0.00 H ATOM 44 HD1 PHE A 2 -4.410 10.349 4.170 1.00 0.00 H ATOM 45 HD2 PHE A 2 -1.276 13.233 4.781 1.00 0.00 H ATOM 46 HE1 PHE A 2 -6.085 12.150 4.276 1.00 0.00 H ATOM 47 HE2 PHE A 2 -2.966 15.021 4.959 1.00 0.00 H ATOM 48 HZ PHE A 2 -5.374 14.496 4.661 1.00 0.00 H ATOM 49 N GLU A 3 -2.191 9.586 0.507 1.00 0.00 N ATOM 50 CA GLU A 3 -3.163 8.872 -0.314 1.00 0.00 C ATOM 51 C GLU A 3 -2.844 7.401 -0.245 1.00 0.00 C ATOM 52 O GLU A 3 -2.269 6.847 -1.169 1.00 0.00 O ATOM 53 CB GLU A 3 -3.125 9.411 -1.764 1.00 0.00 C ATOM 54 CG GLU A 3 -4.138 8.661 -2.670 1.00 0.00 C ATOM 55 CD GLU A 3 -4.872 9.648 -3.533 1.00 0.00 C ATOM 56 OE1 GLU A 3 -5.750 10.366 -2.984 1.00 -0.50 O ATOM 57 OE2 GLU A 3 -4.577 9.714 -4.757 1.00 -0.50 O ATOM 58 H GLU A 3 -1.401 9.992 0.057 1.00 0.00 H ATOM 59 HA GLU A 3 -4.181 9.055 0.068 1.00 0.00 H ATOM 60 HB2 GLU A 3 -3.383 10.480 -1.711 1.00 0.00 H ATOM 61 HB3 GLU A 3 -2.115 9.326 -2.194 1.00 0.00 H ATOM 62 HG2 GLU A 3 -3.611 7.925 -3.298 1.00 0.00 H ATOM 63 HG3 GLU A 3 -4.888 8.121 -2.071 1.00 0.00 H ATOM 64 N ASP A 4 -3.213 6.763 0.883 1.00 0.00 N ATOM 65 CA ASP A 4 -2.857 5.364 1.084 1.00 0.00 C ATOM 66 C ASP A 4 -3.476 4.498 0.015 1.00 0.00 C ATOM 67 O ASP A 4 -4.324 4.991 -0.713 1.00 0.00 O ATOM 68 CB ASP A 4 -3.357 4.924 2.480 1.00 0.00 C ATOM 69 CG ASP A 4 -2.797 5.777 3.589 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.923 6.645 3.311 1.00 -0.50 O ATOM 71 OD2 ASP A 4 -3.239 5.585 4.753 1.00 -0.50 O ATOM 72 H ASP A 4 -3.710 7.248 1.604 1.00 0.00 H ATOM 73 HA ASP A 4 -1.761 5.266 1.041 1.00 0.00 H ATOM 74 HB2 ASP A 4 -4.455 4.989 2.500 1.00 0.00 H ATOM 75 HB3 ASP A 4 -3.070 3.883 2.663 1.00 0.00 H ATOM 76 N TRP A 5 -3.059 3.215 -0.094 1.00 0.00 N ATOM 77 CA TRP A 5 -3.587 2.346 -1.142 1.00 0.00 C ATOM 78 C TRP A 5 -3.827 0.963 -0.601 1.00 0.00 C ATOM 79 O TRP A 5 -3.267 0.639 0.434 1.00 0.00 O ATOM 80 CB TRP A 5 -2.606 2.311 -2.332 1.00 0.00 C ATOM 81 CG TRP A 5 -1.194 2.067 -1.877 1.00 0.00 C ATOM 82 CD1 TRP A 5 -0.295 3.018 -1.572 1.00 0.00 C ATOM 83 CD2 TRP A 5 -0.507 0.739 -1.697 1.00 0.00 C ATOM 84 NE1 TRP A 5 0.846 2.457 -1.260 1.00 0.00 N ATOM 85 CE2 TRP A 5 0.779 1.113 -1.364 1.00 0.00 C ATOM 86 CE3 TRP A 5 -0.885 -0.599 -1.808 1.00 0.00 C ATOM 87 CZ2 TRP A 5 1.800 0.179 -1.207 1.00 0.00 C ATOM 88 CZ3 TRP A 5 0.140 -1.543 -1.694 1.00 0.00 C ATOM 89 CH2 TRP A 5 1.463 -1.158 -1.441 1.00 0.00 C ATOM 90 H TRP A 5 -2.353 2.844 0.511 1.00 0.00 H ATOM 91 HA TRP A 5 -4.561 2.716 -1.501 1.00 0.00 H ATOM 92 HB2 TRP A 5 -2.902 1.545 -3.066 1.00 0.00 H ATOM 93 HB3 TRP A 5 -2.642 3.296 -2.824 1.00 0.00 H ATOM 94 HD1 TRP A 5 -0.504 4.083 -1.598 1.00 0.00 H ATOM 95 HE1 TRP A 5 1.692 2.977 -0.989 1.00 0.00 H ATOM 96 HE3 TRP A 5 -1.915 -0.882 -1.984 1.00 0.00 H ATOM 97 HZ2 TRP A 5 2.805 0.467 -0.928 1.00 0.00 H ATOM 98 HZ3 TRP A 5 -0.072 -2.597 -1.808 1.00 0.00 H ATOM 99 HH2 TRP A 5 2.238 -1.914 -1.437 1.00 0.00 H ATOM 100 N LEU A 6 -4.675 0.166 -1.297 1.00 0.00 N ATOM 101 CA LEU A 6 -5.132 -1.108 -0.748 1.00 0.00 C ATOM 102 C LEU A 6 -4.428 -2.216 -1.494 1.00 0.00 C ATOM 103 O LEU A 6 -4.596 -2.308 -2.701 1.00 0.00 O ATOM 104 CB LEU A 6 -6.686 -1.120 -0.836 1.00 0.00 C ATOM 105 CG LEU A 6 -7.389 -1.848 0.349 1.00 0.00 C ATOM 106 CD1 LEU A 6 -8.906 -1.519 0.346 1.00 0.00 C ATOM 107 CD2 LEU A 6 -7.168 -3.382 0.286 1.00 0.00 C ATOM 108 H LEU A 6 -5.044 0.445 -2.187 1.00 0.00 H ATOM 109 HA LEU A 6 -4.880 -1.158 0.316 1.00 0.00 H ATOM 110 HB2 LEU A 6 -7.012 -0.069 -0.784 1.00 0.00 H ATOM 111 HB3 LEU A 6 -7.015 -1.531 -1.805 1.00 0.00 H ATOM 112 HG LEU A 6 -6.988 -1.478 1.310 1.00 0.00 H ATOM 113 HD11 LEU A 6 -9.062 -0.437 0.487 1.00 0.00 H ATOM 114 HD12 LEU A 6 -9.409 -2.048 1.170 1.00 0.00 H ATOM 115 HD13 LEU A 6 -9.361 -1.823 -0.607 1.00 0.00 H ATOM 116 HD21 LEU A 6 -6.094 -3.617 0.318 1.00 0.00 H ATOM 117 HD22 LEU A 6 -7.602 -3.792 -0.641 1.00 0.00 H ATOM 118 HD23 LEU A 6 -7.655 -3.865 1.151 1.00 0.00 H ATOM 119 N CYS A 7 -3.612 -3.044 -0.801 1.00 0.00 N ATOM 120 CA CYS A 7 -2.797 -4.027 -1.508 1.00 0.00 C ATOM 121 C CYS A 7 -3.673 -5.014 -2.230 1.00 0.00 C ATOM 122 O CYS A 7 -4.792 -5.224 -1.791 1.00 0.00 O ATOM 123 CB CYS A 7 -1.861 -4.723 -0.484 1.00 0.00 C ATOM 124 SG CYS A 7 -0.678 -5.904 -1.179 1.00 -1.00 S ATOM 125 H CYS A 7 -3.513 -2.978 0.194 1.00 0.00 H ATOM 126 HA CYS A 7 -2.193 -3.489 -2.252 1.00 0.00 H ATOM 127 HB2 CYS A 7 -1.235 -3.975 0.017 1.00 0.00 H ATOM 128 HB3 CYS A 7 -2.459 -5.259 0.262 1.00 0.00 H ATOM 129 N ASN A 8 -3.168 -5.610 -3.339 1.00 0.00 N ATOM 130 CA ASN A 8 -3.957 -6.575 -4.103 1.00 0.00 C ATOM 131 C ASN A 8 -3.427 -7.971 -3.843 1.00 0.00 C ATOM 132 O ASN A 8 -3.449 -8.807 -4.734 1.00 0.00 O ATOM 133 CB ASN A 8 -3.886 -6.182 -5.607 1.00 0.00 C ATOM 134 CG ASN A 8 -5.251 -6.235 -6.244 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.695 -7.318 -6.590 1.00 0.00 O ATOM 136 ND2 ASN A 8 -5.945 -5.088 -6.409 1.00 0.00 N ATOM 137 H ASN A 8 -2.229 -5.438 -3.646 1.00 0.00 H ATOM 138 HA ASN A 8 -5.012 -6.555 -3.790 1.00 0.00 H ATOM 139 HB2 ASN A 8 -3.495 -5.157 -5.700 1.00 0.00 H ATOM 140 HB3 ASN A 8 -3.192 -6.832 -6.162 1.00 0.00 H ATOM 141 HD21 ASN A 8 -5.580 -4.202 -6.120 1.00 0.00 H ATOM 142 HD22 ASN A 8 -6.849 -5.120 -6.837 1.00 0.00 H ATOM 143 N LYS A 9 -2.938 -8.218 -2.606 1.00 0.00 N ATOM 144 CA LYS A 9 -2.281 -9.481 -2.270 1.00 0.00 C ATOM 145 C LYS A 9 -2.758 -9.894 -0.892 1.00 0.00 C ATOM 146 O LYS A 9 -3.343 -10.961 -0.784 1.00 0.00 O ATOM 147 CB LYS A 9 -0.744 -9.250 -2.318 1.00 0.00 C ATOM 148 CG LYS A 9 0.102 -10.532 -2.570 1.00 0.00 C ATOM 149 CD LYS A 9 0.380 -10.759 -4.085 1.00 0.00 C ATOM 150 CE LYS A 9 1.511 -11.790 -4.342 1.00 0.00 C ATOM 151 NZ LYS A 9 1.143 -13.172 -3.976 1.00 1.00 N ATOM 152 H LYS A 9 -2.973 -7.513 -1.906 1.00 0.00 H ATOM 153 HA LYS A 9 -2.553 -10.266 -2.994 1.00 0.00 H ATOM 154 HB2 LYS A 9 -0.526 -8.498 -3.093 1.00 0.00 H ATOM 155 HB3 LYS A 9 -0.410 -8.829 -1.363 1.00 0.00 H ATOM 156 HG2 LYS A 9 1.077 -10.399 -2.072 1.00 0.00 H ATOM 157 HG3 LYS A 9 -0.401 -11.405 -2.119 1.00 0.00 H ATOM 158 HD2 LYS A 9 -0.547 -11.062 -4.599 1.00 0.00 H ATOM 159 HD3 LYS A 9 0.736 -9.816 -4.531 1.00 0.00 H ATOM 160 HE2 LYS A 9 1.750 -11.772 -5.419 1.00 0.00 H ATOM 161 HE3 LYS A 9 2.418 -11.492 -3.790 1.00 0.00 H ATOM 162 HZ1 LYS A 9 0.269 -13.499 -4.522 1.00 0.00 H ATOM 163 HZ2 LYS A 9 0.960 -13.283 -2.916 1.00 0.00 H ATOM 164 HZ3 LYS A 9 1.956 -13.842 -4.227 1.00 0.00 H ATOM 165 N CYS A 10 -2.533 -9.053 0.151 1.00 0.00 N ATOM 166 CA CYS A 10 -3.020 -9.335 1.498 1.00 0.00 C ATOM 167 C CYS A 10 -4.223 -8.488 1.872 1.00 0.00 C ATOM 168 O CYS A 10 -4.665 -8.602 3.004 1.00 0.00 O ATOM 169 CB CYS A 10 -1.853 -9.045 2.471 1.00 0.00 C ATOM 170 SG CYS A 10 -1.557 -7.241 2.523 1.00 -1.00 S ATOM 171 H CYS A 10 -2.054 -8.185 0.042 1.00 0.00 H ATOM 172 HA CYS A 10 -3.299 -10.396 1.603 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.117 -9.405 3.470 1.00 0.00 H ATOM 174 HB3 CYS A 10 -0.952 -9.580 2.143 1.00 0.00 H ATOM 175 N CYS A 11 -4.763 -7.644 0.963 1.00 0.00 N ATOM 176 CA CYS A 11 -5.973 -6.886 1.268 1.00 0.00 C ATOM 177 C CYS A 11 -5.851 -6.011 2.496 1.00 0.00 C ATOM 178 O CYS A 11 -6.791 -5.955 3.275 1.00 0.00 O ATOM 179 CB CYS A 11 -7.167 -7.870 1.358 1.00 0.00 C ATOM 180 SG CYS A 11 -8.746 -6.980 1.160 1.00 0.00 S ATOM 181 H CYS A 11 -4.404 -7.545 0.039 1.00 0.00 H ATOM 182 HA CYS A 11 -6.173 -6.212 0.420 1.00 0.00 H ATOM 183 HB2 CYS A 11 -7.087 -8.618 0.553 1.00 0.00 H ATOM 184 HB3 CYS A 11 -7.172 -8.389 2.327 1.00 0.00 H ATOM 185 HG CYS A 11 -8.633 -6.728 0.191 1.00 0.00 H ATOM 186 N LEU A 12 -4.699 -5.321 2.665 1.00 0.00 N ATOM 187 CA LEU A 12 -4.509 -4.408 3.792 1.00 0.00 C ATOM 188 C LEU A 12 -4.221 -3.033 3.236 1.00 0.00 C ATOM 189 O LEU A 12 -3.588 -2.951 2.195 1.00 0.00 O ATOM 190 CB LEU A 12 -3.272 -4.856 4.615 1.00 0.00 C ATOM 191 CG LEU A 12 -3.145 -4.132 5.991 1.00 0.00 C ATOM 192 CD1 LEU A 12 -3.918 -4.878 7.113 1.00 0.00 C ATOM 193 CD2 LEU A 12 -1.660 -3.977 6.399 1.00 0.00 C ATOM 194 H LEU A 12 -3.952 -5.407 2.008 1.00 0.00 H ATOM 195 HA LEU A 12 -5.394 -4.396 4.448 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.344 -5.940 4.763 1.00 0.00 H ATOM 197 HB3 LEU A 12 -2.379 -4.666 4.001 1.00 0.00 H ATOM 198 HG LEU A 12 -3.541 -3.111 5.926 1.00 0.00 H ATOM 199 HD11 LEU A 12 -3.395 -5.803 7.393 1.00 0.00 H ATOM 200 HD12 LEU A 12 -4.940 -5.126 6.790 1.00 0.00 H ATOM 201 HD13 LEU A 12 -3.985 -4.253 8.014 1.00 0.00 H ATOM 202 HD21 LEU A 12 -1.212 -4.971 6.498 1.00 0.00 H ATOM 203 HD22 LEU A 12 -1.573 -3.466 7.367 1.00 0.00 H ATOM 204 HD23 LEU A 12 -1.106 -3.395 5.644 1.00 0.00 H ATOM 205 N ASN A 13 -4.659 -1.954 3.921 1.00 0.00 N ATOM 206 CA ASN A 13 -4.265 -0.610 3.513 1.00 0.00 C ATOM 207 C ASN A 13 -2.805 -0.355 3.825 1.00 0.00 C ATOM 208 O ASN A 13 -2.317 -0.938 4.779 1.00 0.00 O ATOM 209 CB ASN A 13 -5.209 0.407 4.203 1.00 0.00 C ATOM 210 CG ASN A 13 -4.799 1.837 3.977 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.127 2.377 2.930 1.00 0.00 O ATOM 212 ND2 ASN A 13 -4.095 2.467 4.942 1.00 0.00 N ATOM 213 H ASN A 13 -5.237 -2.062 4.730 1.00 0.00 H ATOM 214 HA ASN A 13 -4.420 -0.500 2.433 1.00 0.00 H ATOM 215 HB2 ASN A 13 -6.225 0.259 3.805 1.00 0.00 H ATOM 216 HB3 ASN A 13 -5.241 0.208 5.286 1.00 0.00 H ATOM 217 HD21 ASN A 13 -3.816 1.993 5.777 1.00 0.00 H ATOM 218 HD22 ASN A 13 -3.861 3.432 4.845 1.00 0.00 H ATOM 219 N ASN A 14 -2.100 0.495 3.032 1.00 0.00 N ATOM 220 CA ASN A 14 -0.683 0.770 3.285 1.00 0.00 C ATOM 221 C ASN A 14 -0.380 2.201 2.925 1.00 0.00 C ATOM 222 O ASN A 14 -1.054 2.736 2.061 1.00 0.00 O ATOM 223 CB ASN A 14 0.248 -0.139 2.455 1.00 0.00 C ATOM 224 CG ASN A 14 -0.141 -1.559 2.764 1.00 0.00 C ATOM 225 OD1 ASN A 14 0.431 -2.143 3.667 1.00 0.00 O ATOM 226 ND2 ASN A 14 -1.127 -2.123 2.037 1.00 0.00 N ATOM 227 H ASN A 14 -2.518 0.940 2.240 1.00 0.00 H ATOM 228 HA ASN A 14 -0.465 0.631 4.357 1.00 0.00 H ATOM 229 HB2 ASN A 14 0.137 0.086 1.382 1.00 0.00 H ATOM 230 HB3 ASN A 14 1.300 0.044 2.735 1.00 0.00 H ATOM 231 HD21 ASN A 14 -1.575 -1.616 1.301 1.00 0.00 H ATOM 232 HD22 ASN A 14 -1.437 -3.049 2.254 1.00 0.00 H ATOM 233 N PHE A 15 0.625 2.830 3.571 1.00 0.00 N ATOM 234 CA PHE A 15 0.797 4.270 3.401 1.00 0.00 C ATOM 235 C PHE A 15 1.111 4.615 1.966 1.00 0.00 C ATOM 236 O PHE A 15 1.502 3.750 1.198 1.00 0.00 O ATOM 237 CB PHE A 15 1.939 4.843 4.280 1.00 0.00 C ATOM 238 CG PHE A 15 1.595 5.102 5.755 1.00 0.00 C ATOM 239 CD1 PHE A 15 0.694 4.312 6.477 1.00 0.00 C ATOM 240 CD2 PHE A 15 2.215 6.177 6.406 1.00 0.00 C ATOM 241 CE1 PHE A 15 0.448 4.570 7.828 1.00 0.00 C ATOM 242 CE2 PHE A 15 1.946 6.455 7.746 1.00 0.00 C ATOM 243 CZ PHE A 15 1.068 5.642 8.466 1.00 0.00 C ATOM 244 H PHE A 15 1.221 2.334 4.206 1.00 0.00 H ATOM 245 HA PHE A 15 -0.141 4.767 3.691 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.773 4.140 4.234 1.00 0.00 H ATOM 247 HB3 PHE A 15 2.285 5.790 3.840 1.00 0.00 H ATOM 248 HD1 PHE A 15 0.173 3.486 6.011 1.00 0.00 H ATOM 249 HD2 PHE A 15 2.920 6.808 5.874 1.00 0.00 H ATOM 250 HE1 PHE A 15 -0.233 3.933 8.385 1.00 0.00 H ATOM 251 HE2 PHE A 15 2.419 7.303 8.230 1.00 0.00 H ATOM 252 HZ PHE A 15 0.870 5.847 9.512 1.00 0.00 H ATOM 253 N ARG A 16 0.944 5.906 1.610 1.00 0.00 N ATOM 254 CA ARG A 16 1.277 6.350 0.262 1.00 0.00 C ATOM 255 C ARG A 16 2.755 6.243 -0.006 1.00 0.00 C ATOM 256 O ARG A 16 3.148 5.556 -0.936 1.00 0.00 O ATOM 257 CB ARG A 16 0.838 7.823 0.072 1.00 0.00 C ATOM 258 CG ARG A 16 1.412 8.499 -1.200 1.00 0.00 C ATOM 259 CD ARG A 16 0.974 7.816 -2.518 1.00 0.00 C ATOM 260 NE ARG A 16 1.514 8.544 -3.664 1.00 0.00 N ATOM 261 CZ ARG A 16 1.248 8.226 -4.911 1.00 1.00 C ATOM 262 NH1 ARG A 16 0.465 7.228 -5.245 1.00 0.00 N ATOM 263 NH2 ARG A 16 1.793 8.936 -5.871 1.00 0.00 N ATOM 264 H ARG A 16 0.594 6.579 2.265 1.00 0.00 H ATOM 265 HA ARG A 16 0.733 5.727 -0.458 1.00 0.00 H ATOM 266 HB2 ARG A 16 -0.257 7.842 0.054 1.00 0.00 H ATOM 267 HB3 ARG A 16 1.168 8.439 0.920 1.00 0.00 H ATOM 268 HG2 ARG A 16 1.029 9.528 -1.201 1.00 0.00 H ATOM 269 HG3 ARG A 16 2.510 8.551 -1.147 1.00 0.00 H ATOM 270 HD2 ARG A 16 1.357 6.784 -2.550 1.00 0.00 H ATOM 271 HD3 ARG A 16 -0.125 7.812 -2.541 1.00 0.00 H ATOM 272 HE ARG A 16 2.139 9.342 -3.472 1.00 0.00 H ATOM 273 HH11 ARG A 16 0.016 6.633 -4.537 1.00 0.00 H ATOM 274 HH12 ARG A 16 0.280 7.013 -6.235 1.00 0.00 H ATOM 275 HH21 ARG A 16 2.419 9.727 -5.659 1.00 0.00 H ATOM 276 HH22 ARG A 16 1.611 8.717 -6.862 1.00 0.00 H ATOM 277 N LYS A 17 3.574 6.949 0.800 1.00 0.00 N ATOM 278 CA LYS A 17 5.004 7.018 0.522 1.00 0.00 C ATOM 279 C LYS A 17 5.563 5.625 0.448 1.00 0.00 C ATOM 280 O LYS A 17 6.462 5.391 -0.344 1.00 0.00 O ATOM 281 CB LYS A 17 5.766 7.846 1.592 1.00 0.00 C ATOM 282 CG LYS A 17 5.271 9.325 1.654 1.00 0.00 C ATOM 283 CD LYS A 17 4.574 9.665 3.002 1.00 0.00 C ATOM 284 CE LYS A 17 3.896 11.067 2.989 1.00 0.00 C ATOM 285 NZ LYS A 17 4.676 12.074 3.735 1.00 1.00 N ATOM 286 H LYS A 17 3.207 7.438 1.587 1.00 0.00 H ATOM 287 HA LYS A 17 5.148 7.493 -0.462 1.00 0.00 H ATOM 288 HB2 LYS A 17 5.664 7.352 2.571 1.00 0.00 H ATOM 289 HB3 LYS A 17 6.834 7.836 1.317 1.00 0.00 H ATOM 290 HG2 LYS A 17 6.128 10.008 1.534 1.00 0.00 H ATOM 291 HG3 LYS A 17 4.575 9.507 0.820 1.00 0.00 H ATOM 292 HD2 LYS A 17 3.795 8.922 3.219 1.00 0.00 H ATOM 293 HD3 LYS A 17 5.319 9.607 3.811 1.00 0.00 H ATOM 294 HE2 LYS A 17 3.736 11.422 1.959 1.00 0.00 H ATOM 295 HE3 LYS A 17 2.908 10.988 3.471 1.00 0.00 H ATOM 296 HZ1 LYS A 17 4.778 11.801 4.778 1.00 0.00 H ATOM 297 HZ2 LYS A 17 4.170 13.031 3.706 1.00 0.00 H ATOM 298 HZ3 LYS A 17 5.663 12.201 3.311 1.00 0.00 H ATOM 299 N ARG A 18 5.017 4.684 1.246 1.00 0.00 N ATOM 300 CA ARG A 18 5.437 3.301 1.099 1.00 0.00 C ATOM 301 C ARG A 18 5.109 2.873 -0.313 1.00 0.00 C ATOM 302 O ARG A 18 3.943 2.701 -0.632 1.00 0.00 O ATOM 303 CB ARG A 18 4.723 2.372 2.109 1.00 0.00 C ATOM 304 CG ARG A 18 5.130 2.631 3.582 1.00 0.00 C ATOM 305 CD ARG A 18 6.599 2.270 3.924 1.00 0.00 C ATOM 306 NE ARG A 18 7.544 3.341 3.609 1.00 0.00 N ATOM 307 CZ ARG A 18 8.845 3.213 3.727 1.00 1.00 C ATOM 308 NH1 ARG A 18 9.422 2.123 4.175 1.00 0.00 N ATOM 309 NH2 ARG A 18 9.608 4.223 3.384 1.00 0.00 N ATOM 310 H ARG A 18 4.295 4.902 1.903 1.00 0.00 H ATOM 311 HA ARG A 18 6.518 3.214 1.272 1.00 0.00 H ATOM 312 HB2 ARG A 18 3.633 2.489 2.011 1.00 0.00 H ATOM 313 HB3 ARG A 18 4.976 1.334 1.862 1.00 0.00 H ATOM 314 HG2 ARG A 18 4.970 3.681 3.847 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.471 2.001 4.201 1.00 0.00 H ATOM 316 HD2 ARG A 18 6.651 2.103 5.012 1.00 0.00 H ATOM 317 HD3 ARG A 18 6.846 1.335 3.396 1.00 0.00 H ATOM 318 HE ARG A 18 7.160 4.241 3.279 1.00 0.00 H ATOM 319 HH11 ARG A 18 8.877 1.305 4.473 1.00 0.00 H ATOM 320 HH12 ARG A 18 10.449 2.063 4.249 1.00 0.00 H ATOM 321 HH21 ARG A 18 9.203 5.099 3.023 1.00 0.00 H ATOM 322 HH22 ARG A 18 10.633 4.164 3.462 1.00 0.00 H ATOM 323 N LEU A 19 6.144 2.700 -1.167 1.00 0.00 N ATOM 324 CA LEU A 19 5.920 2.162 -2.503 1.00 0.00 C ATOM 325 C LEU A 19 5.497 0.713 -2.389 1.00 0.00 C ATOM 326 O LEU A 19 4.808 0.246 -3.284 1.00 0.00 O ATOM 327 CB LEU A 19 7.230 2.236 -3.336 1.00 0.00 C ATOM 328 CG LEU A 19 7.785 3.691 -3.440 1.00 0.00 C ATOM 329 CD1 LEU A 19 9.212 3.805 -2.833 1.00 0.00 C ATOM 330 CD2 LEU A 19 7.811 4.179 -4.913 1.00 0.00 C ATOM 331 H LEU A 19 7.090 2.861 -0.880 1.00 0.00 H ATOM 332 HA LEU A 19 5.135 2.744 -3.013 1.00 0.00 H ATOM 333 HB2 LEU A 19 7.973 1.573 -2.861 1.00 0.00 H ATOM 334 HB3 LEU A 19 7.019 1.829 -4.337 1.00 0.00 H ATOM 335 HG LEU A 19 7.127 4.385 -2.892 1.00 0.00 H ATOM 336 HD11 LEU A 19 9.220 3.505 -1.774 1.00 0.00 H ATOM 337 HD12 LEU A 19 9.565 4.848 -2.895 1.00 0.00 H ATOM 338 HD13 LEU A 19 9.912 3.162 -3.389 1.00 0.00 H ATOM 339 HD21 LEU A 19 8.488 3.547 -5.511 1.00 0.00 H ATOM 340 HD22 LEU A 19 8.169 5.221 -4.959 1.00 0.00 H ATOM 341 HD23 LEU A 19 6.799 4.137 -5.345 1.00 0.00 H ATOM 342 N LYS A 20 5.923 -0.002 -1.316 1.00 0.00 N ATOM 343 CA LYS A 20 5.611 -1.421 -1.170 1.00 0.00 C ATOM 344 C LYS A 20 4.671 -1.642 -0.016 1.00 0.00 C ATOM 345 O LYS A 20 4.487 -0.746 0.788 1.00 0.00 O ATOM 346 CB LYS A 20 6.934 -2.205 -0.976 1.00 0.00 C ATOM 347 CG LYS A 20 7.572 -2.554 -2.346 1.00 0.00 C ATOM 348 CD LYS A 20 9.117 -2.596 -2.239 1.00 0.00 C ATOM 349 CE LYS A 20 9.736 -3.411 -3.401 1.00 0.00 C ATOM 350 NZ LYS A 20 11.187 -3.159 -3.505 1.00 1.00 N ATOM 351 H LYS A 20 6.460 0.416 -0.579 1.00 0.00 H ATOM 352 HA LYS A 20 5.087 -1.809 -2.047 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.621 -1.601 -0.364 1.00 0.00 H ATOM 354 HB3 LYS A 20 6.752 -3.146 -0.436 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.174 -3.529 -2.672 1.00 0.00 H ATOM 356 HG3 LYS A 20 7.312 -1.803 -3.111 1.00 0.00 H ATOM 357 HD2 LYS A 20 9.487 -1.557 -2.267 1.00 0.00 H ATOM 358 HD3 LYS A 20 9.428 -3.056 -1.286 1.00 0.00 H ATOM 359 HE2 LYS A 20 9.559 -4.482 -3.207 1.00 0.00 H ATOM 360 HE3 LYS A 20 9.255 -3.144 -4.356 1.00 0.00 H ATOM 361 HZ1 LYS A 20 11.379 -2.161 -3.874 1.00 0.00 H ATOM 362 HZ2 LYS A 20 11.647 -3.858 -4.190 1.00 0.00 H ATOM 363 HZ3 LYS A 20 11.681 -3.264 -2.548 1.00 0.00 H ATOM 364 N CYS A 21 4.055 -2.838 0.064 1.00 0.00 N ATOM 365 CA CYS A 21 3.077 -3.067 1.116 1.00 0.00 C ATOM 366 C CYS A 21 3.821 -3.212 2.416 1.00 0.00 C ATOM 367 O CYS A 21 4.948 -3.677 2.375 1.00 0.00 O ATOM 368 CB CYS A 21 2.262 -4.342 0.789 1.00 0.00 C ATOM 369 SG CYS A 21 1.011 -4.637 2.070 1.00 -1.00 S ATOM 370 H CYS A 21 4.247 -3.576 -0.586 1.00 0.00 H ATOM 371 HA CYS A 21 2.384 -2.211 1.171 1.00 0.00 H ATOM 372 HB2 CYS A 21 1.740 -4.233 -0.173 1.00 0.00 H ATOM 373 HB3 CYS A 21 2.930 -5.213 0.731 1.00 0.00 H ATOM 374 N PHE A 22 3.210 -2.826 3.562 1.00 0.00 N ATOM 375 CA PHE A 22 3.859 -3.007 4.856 1.00 0.00 C ATOM 376 C PHE A 22 3.276 -4.221 5.544 1.00 0.00 C ATOM 377 O PHE A 22 3.028 -4.175 6.738 1.00 0.00 O ATOM 378 CB PHE A 22 3.694 -1.688 5.658 1.00 0.00 C ATOM 379 CG PHE A 22 4.508 -1.652 6.960 1.00 0.00 C ATOM 380 CD1 PHE A 22 5.903 -1.747 6.931 1.00 0.00 C ATOM 381 CD2 PHE A 22 3.864 -1.505 8.197 1.00 0.00 C ATOM 382 CE1 PHE A 22 6.643 -1.734 8.120 1.00 0.00 C ATOM 383 CE2 PHE A 22 4.603 -1.452 9.377 1.00 0.00 C ATOM 384 CZ PHE A 22 5.994 -1.579 9.342 1.00 0.00 C ATOM 385 H PHE A 22 2.287 -2.446 3.562 1.00 0.00 H ATOM 386 HA PHE A 22 4.935 -3.200 4.730 1.00 0.00 H ATOM 387 HB2 PHE A 22 4.055 -0.854 5.034 1.00 0.00 H ATOM 388 HB3 PHE A 22 2.623 -1.521 5.857 1.00 0.00 H ATOM 389 HD1 PHE A 22 6.431 -1.824 5.987 1.00 0.00 H ATOM 390 HD2 PHE A 22 2.784 -1.428 8.245 1.00 0.00 H ATOM 391 HE1 PHE A 22 7.721 -1.843 8.086 1.00 0.00 H ATOM 392 HE2 PHE A 22 4.099 -1.314 10.328 1.00 0.00 H ATOM 393 HZ PHE A 22 6.569 -1.558 10.264 1.00 0.00 H ATOM 394 N ARG A 23 3.083 -5.318 4.771 1.00 0.00 N ATOM 395 CA ARG A 23 2.653 -6.596 5.332 1.00 0.00 C ATOM 396 C ARG A 23 3.313 -7.700 4.526 1.00 0.00 C ATOM 397 O ARG A 23 4.064 -8.463 5.110 1.00 0.00 O ATOM 398 CB ARG A 23 1.110 -6.803 5.336 1.00 0.00 C ATOM 399 CG ARG A 23 0.674 -7.775 6.476 1.00 0.00 C ATOM 400 CD ARG A 23 -0.401 -8.835 6.097 1.00 0.00 C ATOM 401 NE ARG A 23 -1.783 -8.362 6.063 1.00 0.00 N ATOM 402 CZ ARG A 23 -2.819 -9.169 5.947 1.00 1.00 C ATOM 403 NH1 ARG A 23 -2.697 -10.466 5.786 1.00 0.00 N ATOM 404 NH2 ARG A 23 -4.037 -8.682 5.992 1.00 0.00 N ATOM 405 H ARG A 23 3.271 -5.286 3.795 1.00 0.00 H ATOM 406 HA ARG A 23 3.034 -6.634 6.368 1.00 0.00 H ATOM 407 HB2 ARG A 23 0.669 -5.812 5.490 1.00 0.00 H ATOM 408 HB3 ARG A 23 0.764 -7.176 4.362 1.00 0.00 H ATOM 409 HG2 ARG A 23 1.552 -8.370 6.775 1.00 0.00 H ATOM 410 HG3 ARG A 23 0.342 -7.194 7.350 1.00 0.00 H ATOM 411 HD2 ARG A 23 -0.118 -9.307 5.139 1.00 0.00 H ATOM 412 HD3 ARG A 23 -0.350 -9.587 6.907 1.00 0.00 H ATOM 413 HE ARG A 23 -1.942 -7.349 6.172 1.00 0.00 H ATOM 414 HH11 ARG A 23 -1.779 -10.922 5.723 1.00 0.00 H ATOM 415 HH12 ARG A 23 -3.528 -11.070 5.705 1.00 0.00 H ATOM 416 HH21 ARG A 23 -4.200 -7.677 6.128 1.00 0.00 H ATOM 417 HH22 ARG A 23 -4.860 -9.291 5.902 1.00 0.00 H ATOM 418 N CYS A 24 3.045 -7.787 3.195 1.00 0.00 N ATOM 419 CA CYS A 24 3.686 -8.790 2.347 1.00 0.00 C ATOM 420 C CYS A 24 4.807 -8.223 1.501 1.00 0.00 C ATOM 421 O CYS A 24 5.382 -8.986 0.737 1.00 0.00 O ATOM 422 CB CYS A 24 2.600 -9.436 1.448 1.00 0.00 C ATOM 423 SG CYS A 24 1.748 -8.196 0.405 1.00 -1.00 S ATOM 424 H CYS A 24 2.427 -7.146 2.739 1.00 0.00 H ATOM 425 HA CYS A 24 4.117 -9.603 2.957 1.00 0.00 H ATOM 426 HB2 CYS A 24 3.052 -10.213 0.813 1.00 0.00 H ATOM 427 HB3 CYS A 24 1.830 -9.902 2.081 1.00 0.00 H ATOM 428 N GLY A 25 5.165 -6.919 1.592 1.00 0.00 N ATOM 429 CA GLY A 25 6.277 -6.409 0.793 1.00 0.00 C ATOM 430 C GLY A 25 6.024 -6.372 -0.697 1.00 0.00 C ATOM 431 O GLY A 25 6.966 -6.054 -1.408 1.00 0.00 O ATOM 432 H GLY A 25 4.710 -6.271 2.204 1.00 0.00 H ATOM 433 HA2 GLY A 25 6.517 -5.381 1.105 1.00 0.00 H ATOM 434 HA3 GLY A 25 7.169 -7.029 0.983 1.00 0.00 H ATOM 435 N ALA A 26 4.806 -6.680 -1.196 1.00 0.00 N ATOM 436 CA ALA A 26 4.581 -6.653 -2.636 1.00 0.00 C ATOM 437 C ALA A 26 4.207 -5.253 -3.043 1.00 0.00 C ATOM 438 O ALA A 26 3.669 -4.534 -2.213 1.00 0.00 O ATOM 439 CB ALA A 26 3.426 -7.606 -3.031 1.00 0.00 C ATOM 440 H ALA A 26 4.026 -6.891 -0.612 1.00 0.00 H ATOM 441 HA ALA A 26 5.487 -6.988 -3.166 1.00 0.00 H ATOM 442 HB1 ALA A 26 2.477 -7.275 -2.578 1.00 0.00 H ATOM 443 HB2 ALA A 26 3.310 -7.618 -4.128 1.00 0.00 H ATOM 444 HB3 ALA A 26 3.653 -8.628 -2.684 1.00 0.00 H ATOM 445 N ASP A 27 4.500 -4.850 -4.299 1.00 0.00 N ATOM 446 CA ASP A 27 4.162 -3.497 -4.723 1.00 0.00 C ATOM 447 C ASP A 27 2.738 -3.450 -5.216 1.00 0.00 C ATOM 448 O ASP A 27 2.285 -4.430 -5.787 1.00 0.00 O ATOM 449 CB ASP A 27 5.150 -3.005 -5.810 1.00 0.00 C ATOM 450 CG ASP A 27 5.124 -1.504 -5.937 1.00 0.00 C ATOM 451 OD1 ASP A 27 4.065 -0.954 -6.341 1.00 -0.50 O ATOM 452 OD2 ASP A 27 6.164 -0.861 -5.633 1.00 -0.50 O ATOM 453 H ASP A 27 4.929 -5.468 -4.960 1.00 0.00 H ATOM 454 HA ASP A 27 4.281 -2.819 -3.874 1.00 0.00 H ATOM 455 HB2 ASP A 27 6.169 -3.302 -5.517 1.00 0.00 H ATOM 456 HB3 ASP A 27 4.912 -3.476 -6.777 1.00 0.00 H ATOM 457 N LYS A 28 2.027 -2.315 -5.019 1.00 0.00 N ATOM 458 CA LYS A 28 0.695 -2.183 -5.603 1.00 0.00 C ATOM 459 C LYS A 28 0.719 -2.458 -7.090 1.00 0.00 C ATOM 460 O LYS A 28 -0.310 -2.874 -7.599 1.00 0.00 O ATOM 461 CB LYS A 28 0.068 -0.770 -5.417 1.00 0.00 C ATOM 462 CG LYS A 28 1.024 0.374 -5.857 1.00 0.00 C ATOM 463 CD LYS A 28 0.309 1.622 -6.431 1.00 0.00 C ATOM 464 CE LYS A 28 -0.510 2.394 -5.369 1.00 0.00 C ATOM 465 NZ LYS A 28 -0.769 3.768 -5.849 1.00 1.00 N ATOM 466 H LYS A 28 2.401 -1.549 -4.497 1.00 0.00 H ATOM 467 HA LYS A 28 0.028 -2.920 -5.122 1.00 0.00 H ATOM 468 HB2 LYS A 28 -0.865 -0.732 -6.004 1.00 0.00 H ATOM 469 HB3 LYS A 28 -0.194 -0.616 -4.360 1.00 0.00 H ATOM 470 HG2 LYS A 28 1.671 0.679 -5.018 1.00 0.00 H ATOM 471 HG3 LYS A 28 1.669 0.022 -6.667 1.00 0.00 H ATOM 472 HD2 LYS A 28 1.098 2.287 -6.818 1.00 0.00 H ATOM 473 HD3 LYS A 28 -0.339 1.336 -7.275 1.00 0.00 H ATOM 474 HE2 LYS A 28 -1.462 1.870 -5.187 1.00 0.00 H ATOM 475 HE3 LYS A 28 0.050 2.455 -4.424 1.00 0.00 H ATOM 476 HZ1 LYS A 28 -1.238 3.774 -6.826 1.00 0.00 H ATOM 477 HZ2 LYS A 28 0.154 4.327 -5.924 1.00 0.00 H ATOM 478 HZ3 LYS A 28 -1.410 4.305 -5.162 1.00 0.00 H ATOM 479 N PHE A 29 1.855 -2.225 -7.794 1.00 0.00 N ATOM 480 CA PHE A 29 1.882 -2.356 -9.246 1.00 0.00 C ATOM 481 C PHE A 29 2.848 -3.459 -9.602 1.00 0.00 C ATOM 482 O PHE A 29 3.573 -3.337 -10.575 1.00 0.00 O ATOM 483 CB PHE A 29 2.291 -0.967 -9.811 1.00 0.00 C ATOM 484 CG PHE A 29 1.437 -0.580 -11.020 1.00 0.00 C ATOM 485 CD1 PHE A 29 0.117 -0.162 -10.814 1.00 0.00 C ATOM 486 CD2 PHE A 29 1.953 -0.622 -12.317 1.00 0.00 C ATOM 487 CE1 PHE A 29 -0.667 0.251 -11.894 1.00 0.00 C ATOM 488 CE2 PHE A 29 1.170 -0.205 -13.396 1.00 0.00 C ATOM 489 CZ PHE A 29 -0.138 0.236 -13.184 1.00 0.00 C ATOM 490 H PHE A 29 2.713 -1.939 -7.365 1.00 0.00 H ATOM 491 HA PHE A 29 0.899 -2.640 -9.653 1.00 0.00 H ATOM 492 HB2 PHE A 29 2.091 -0.191 -9.059 1.00 0.00 H ATOM 493 HB3 PHE A 29 3.367 -0.919 -10.035 1.00 0.00 H ATOM 494 HD1 PHE A 29 -0.302 -0.156 -9.814 1.00 0.00 H ATOM 495 HD2 PHE A 29 2.965 -0.973 -12.493 1.00 0.00 H ATOM 496 HE1 PHE A 29 -1.686 0.583 -11.726 1.00 0.00 H ATOM 497 HE2 PHE A 29 1.578 -0.224 -14.401 1.00 0.00 H ATOM 498 HZ PHE A 29 -0.743 0.565 -14.022 1.00 0.00 H ATOM 499 N ASP A 30 2.866 -4.554 -8.809 1.00 0.00 N ATOM 500 CA ASP A 30 3.803 -5.634 -9.097 1.00 0.00 C ATOM 501 C ASP A 30 3.499 -6.248 -10.465 1.00 0.00 C ATOM 502 O ASP A 30 4.415 -6.610 -11.202 1.00 0.00 O ATOM 503 CB ASP A 30 3.747 -6.735 -8.009 1.00 0.00 C ATOM 504 CG ASP A 30 2.397 -7.397 -7.961 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.497 -6.858 -7.264 1.00 -0.50 O ATOM 506 OD2 ASP A 30 2.230 -8.460 -8.618 1.00 -0.50 O ATOM 507 H ASP A 30 2.250 -4.654 -8.028 1.00 0.00 H ATOM 508 HA ASP A 30 4.823 -5.218 -9.100 1.00 0.00 H ATOM 509 HB2 ASP A 30 4.516 -7.494 -8.226 1.00 0.00 H ATOM 510 HB3 ASP A 30 3.969 -6.290 -7.030 1.00 0.00 H HETATM 511 N NH2 A 31 2.208 -6.383 -10.842 1.00 0.00 N HETATM 512 HN1 NH2 A 31 1.998 -6.782 -11.736 1.00 0.00 H HETATM 513 HN2 NH2 A 31 1.452 -6.094 -10.255 1.00 0.00 H TER 514 NH2 A 31 HETATM 515 C1 AQN A 32 2.531 2.112 7.983 1.00 0.00 C HETATM 516 C2 AQN A 32 1.569 1.482 8.779 1.00 0.00 C HETATM 517 C3 AQN A 32 0.544 0.558 8.161 1.00 0.00 C HETATM 518 O3 AQN A 32 0.558 0.347 6.959 1.00 0.00 O HETATM 519 C4 AQN A 32 -0.501 -0.103 9.034 1.00 0.00 C HETATM 520 C5 AQN A 32 -1.521 -0.862 8.459 1.00 0.00 C HETATM 521 C6 AQN A 32 -2.426 -1.553 9.268 1.00 0.00 C HETATM 522 C7 AQN A 32 -2.325 -1.476 10.658 1.00 0.00 C HETATM 523 C8 AQN A 32 -1.355 -0.656 11.234 1.00 0.00 C HETATM 524 C9 AQN A 32 -0.457 0.043 10.422 1.00 0.00 C HETATM 525 C10 AQN A 32 0.563 0.972 11.037 1.00 0.00 C HETATM 526 O10 AQN A 32 0.578 1.134 12.247 1.00 0.00 O HETATM 527 C11 AQN A 32 1.553 1.704 10.159 1.00 0.00 C HETATM 528 C12 AQN A 32 2.461 2.600 10.728 1.00 0.00 C HETATM 529 C13 AQN A 32 3.400 3.252 9.929 1.00 0.00 C HETATM 530 C14 AQN A 32 3.444 3.002 8.556 1.00 0.00 C HETATM 531 S15 AQN A 32 4.696 3.797 7.583 1.00 0.00 S HETATM 532 OS1 AQN A 32 5.985 3.253 7.962 1.00 0.00 O HETATM 533 OS2 AQN A 32 4.293 3.783 6.196 1.00 0.00 O HETATM 534 OS3 AQN A 32 4.600 5.204 8.084 1.00 -1.00 O HETATM 535 H1 AQN A 32 2.571 1.914 6.916 1.00 0.00 H HETATM 536 H5 AQN A 32 -1.611 -0.914 7.381 1.00 0.00 H HETATM 537 H6 AQN A 32 -3.212 -2.147 8.821 1.00 0.00 H HETATM 538 H7 AQN A 32 -2.999 -2.045 11.288 1.00 0.00 H HETATM 539 H8 AQN A 32 -1.312 -0.563 12.315 1.00 0.00 H HETATM 540 H12 AQN A 32 2.451 2.791 11.794 1.00 0.00 H HETATM 541 H13 AQN A 32 4.101 3.946 10.377 1.00 0.00 H HETATM 542 ZN ZN A 33 0.108 -6.553 0.969 1.00 2.00 ZN