HETATM 1 C ACE A 0 -0.638 15.482 2.576 1.00 0.00 C HETATM 2 O ACE A 0 -1.798 15.175 2.888 1.00 0.00 O HETATM 3 CH3 ACE A 0 0.184 16.359 3.490 1.00 0.00 C HETATM 4 H1 ACE A 0 0.475 17.271 2.968 1.00 0.00 H HETATM 5 H2 ACE A 0 1.082 15.829 3.806 1.00 0.00 H HETATM 6 H3 ACE A 0 -0.409 16.608 4.370 1.00 0.00 H ATOM 7 N LYS A 1 -0.013 15.091 1.451 1.00 0.00 N ATOM 8 CA LYS A 1 -0.708 14.241 0.491 1.00 0.00 C ATOM 9 C LYS A 1 -0.726 12.830 1.032 1.00 0.00 C ATOM 10 O LYS A 1 0.165 12.057 0.716 1.00 0.00 O ATOM 11 CB LYS A 1 -0.060 14.334 -0.917 1.00 0.00 C ATOM 12 CG LYS A 1 -0.631 13.252 -1.873 1.00 0.00 C ATOM 13 CD LYS A 1 -0.852 13.702 -3.340 1.00 0.00 C ATOM 14 CE LYS A 1 0.435 13.951 -4.171 1.00 0.00 C ATOM 15 NZ LYS A 1 1.111 15.234 -3.888 1.00 1.00 N ATOM 16 H LYS A 1 0.941 15.345 1.282 1.00 0.00 H ATOM 17 HA LYS A 1 -1.744 14.599 0.365 1.00 0.00 H ATOM 18 HB2 LYS A 1 -0.263 15.345 -1.307 1.00 0.00 H ATOM 19 HB3 LYS A 1 1.029 14.195 -0.839 1.00 0.00 H ATOM 20 HG2 LYS A 1 0.047 12.385 -1.854 1.00 0.00 H ATOM 21 HG3 LYS A 1 -1.617 12.932 -1.504 1.00 0.00 H ATOM 22 HD2 LYS A 1 -1.388 12.872 -3.833 1.00 0.00 H ATOM 23 HD3 LYS A 1 -1.504 14.588 -3.373 1.00 0.00 H ATOM 24 HE2 LYS A 1 1.136 13.113 -4.032 1.00 0.00 H ATOM 25 HE3 LYS A 1 0.134 13.974 -5.233 1.00 0.00 H ATOM 26 HZ1 LYS A 1 1.634 15.229 -2.947 1.00 0.00 H ATOM 27 HZ2 LYS A 1 0.419 16.065 -3.912 1.00 0.00 H ATOM 28 HZ3 LYS A 1 1.865 15.419 -4.641 1.00 0.00 H ATOM 29 N PHE A 2 -1.751 12.486 1.845 1.00 0.00 N ATOM 30 CA PHE A 2 -1.882 11.121 2.344 1.00 0.00 C ATOM 31 C PHE A 2 -2.770 10.332 1.410 1.00 0.00 C ATOM 32 O PHE A 2 -3.870 9.978 1.803 1.00 0.00 O ATOM 33 CB PHE A 2 -2.495 11.141 3.768 1.00 0.00 C ATOM 34 CG PHE A 2 -1.608 11.934 4.735 1.00 0.00 C ATOM 35 CD1 PHE A 2 -0.425 11.365 5.214 1.00 0.00 C ATOM 36 CD2 PHE A 2 -1.972 13.217 5.151 1.00 0.00 C ATOM 37 CE1 PHE A 2 0.380 12.066 6.115 1.00 0.00 C ATOM 38 CE2 PHE A 2 -1.165 13.922 6.048 1.00 0.00 C ATOM 39 CZ PHE A 2 0.009 13.345 6.533 1.00 0.00 C ATOM 40 H PHE A 2 -2.468 13.143 2.084 1.00 0.00 H ATOM 41 HA PHE A 2 -0.903 10.622 2.413 1.00 0.00 H ATOM 42 HB2 PHE A 2 -3.503 11.582 3.745 1.00 0.00 H ATOM 43 HB3 PHE A 2 -2.583 10.109 4.143 1.00 0.00 H ATOM 44 HD1 PHE A 2 -0.127 10.373 4.893 1.00 0.00 H ATOM 45 HD2 PHE A 2 -2.884 13.678 4.788 1.00 0.00 H ATOM 46 HE1 PHE A 2 1.293 11.615 6.489 1.00 0.00 H ATOM 47 HE2 PHE A 2 -1.451 14.918 6.369 1.00 0.00 H ATOM 48 HZ PHE A 2 0.631 13.888 7.237 1.00 0.00 H ATOM 49 N GLU A 3 -2.310 10.022 0.175 1.00 0.00 N ATOM 50 CA GLU A 3 -3.113 9.185 -0.722 1.00 0.00 C ATOM 51 C GLU A 3 -2.837 7.717 -0.470 1.00 0.00 C ATOM 52 O GLU A 3 -2.470 6.998 -1.386 1.00 0.00 O ATOM 53 CB GLU A 3 -2.931 9.558 -2.221 1.00 0.00 C ATOM 54 CG GLU A 3 -1.463 9.451 -2.699 1.00 0.00 C ATOM 55 CD GLU A 3 -1.361 9.095 -4.156 1.00 0.00 C ATOM 56 OE1 GLU A 3 -1.472 10.019 -5.003 1.00 -0.50 O ATOM 57 OE2 GLU A 3 -1.154 7.888 -4.454 1.00 -0.50 O ATOM 58 H GLU A 3 -1.399 10.313 -0.111 1.00 0.00 H ATOM 59 HA GLU A 3 -4.186 9.343 -0.523 1.00 0.00 H ATOM 60 HB2 GLU A 3 -3.555 8.876 -2.819 1.00 0.00 H ATOM 61 HB3 GLU A 3 -3.285 10.588 -2.394 1.00 0.00 H ATOM 62 HG2 GLU A 3 -0.940 10.398 -2.534 1.00 0.00 H ATOM 63 HG3 GLU A 3 -0.945 8.678 -2.126 1.00 0.00 H ATOM 64 N ASP A 4 -3.022 7.243 0.782 1.00 0.00 N ATOM 65 CA ASP A 4 -2.767 5.838 1.091 1.00 0.00 C ATOM 66 C ASP A 4 -3.401 4.899 0.089 1.00 0.00 C ATOM 67 O ASP A 4 -4.338 5.297 -0.581 1.00 0.00 O ATOM 68 CB ASP A 4 -3.276 5.510 2.522 1.00 0.00 C ATOM 69 CG ASP A 4 -4.659 6.046 2.778 1.00 0.00 C ATOM 70 OD1 ASP A 4 -5.521 5.947 1.867 1.00 -0.50 O ATOM 71 OD2 ASP A 4 -4.889 6.577 3.898 1.00 -0.50 O ATOM 72 H ASP A 4 -3.308 7.851 1.521 1.00 0.00 H ATOM 73 HA ASP A 4 -1.677 5.683 1.062 1.00 0.00 H ATOM 74 HB2 ASP A 4 -3.312 4.426 2.681 1.00 0.00 H ATOM 75 HB3 ASP A 4 -2.579 5.950 3.252 1.00 0.00 H ATOM 76 N TRP A 5 -2.884 3.651 -0.020 1.00 0.00 N ATOM 77 CA TRP A 5 -3.388 2.704 -1.012 1.00 0.00 C ATOM 78 C TRP A 5 -3.568 1.371 -0.343 1.00 0.00 C ATOM 79 O TRP A 5 -3.089 1.230 0.770 1.00 0.00 O ATOM 80 CB TRP A 5 -2.407 2.613 -2.203 1.00 0.00 C ATOM 81 CG TRP A 5 -1.013 2.267 -1.763 1.00 0.00 C ATOM 82 CD1 TRP A 5 -0.072 3.143 -1.381 1.00 0.00 C ATOM 83 CD2 TRP A 5 -0.393 0.896 -1.680 1.00 0.00 C ATOM 84 NE1 TRP A 5 1.027 2.504 -1.078 1.00 0.00 N ATOM 85 CE2 TRP A 5 0.891 1.176 -1.255 1.00 0.00 C ATOM 86 CE3 TRP A 5 -0.825 -0.405 -1.930 1.00 0.00 C ATOM 87 CZ2 TRP A 5 1.842 0.172 -1.073 1.00 0.00 C ATOM 88 CZ3 TRP A 5 0.133 -1.415 -1.796 1.00 0.00 C ATOM 89 CH2 TRP A 5 1.445 -1.128 -1.402 1.00 0.00 C ATOM 90 H TRP A 5 -2.125 3.352 0.562 1.00 0.00 H ATOM 91 HA TRP A 5 -4.375 3.009 -1.390 1.00 0.00 H ATOM 92 HB2 TRP A 5 -2.748 1.877 -2.946 1.00 0.00 H ATOM 93 HB3 TRP A 5 -2.378 3.603 -2.683 1.00 0.00 H ATOM 94 HD1 TRP A 5 -0.233 4.216 -1.340 1.00 0.00 H ATOM 95 HE1 TRP A 5 1.890 2.962 -0.747 1.00 0.00 H ATOM 96 HE3 TRP A 5 -1.845 -0.616 -2.220 1.00 0.00 H ATOM 97 HZ2 TRP A 5 2.837 0.388 -0.704 1.00 0.00 H ATOM 98 HZ3 TRP A 5 -0.121 -2.443 -2.013 1.00 0.00 H ATOM 99 HH2 TRP A 5 2.162 -1.935 -1.370 1.00 0.00 H ATOM 100 N LEU A 6 -4.257 0.406 -0.999 1.00 0.00 N ATOM 101 CA LEU A 6 -4.574 -0.860 -0.347 1.00 0.00 C ATOM 102 C LEU A 6 -4.035 -1.993 -1.184 1.00 0.00 C ATOM 103 O LEU A 6 -4.199 -1.956 -2.394 1.00 0.00 O ATOM 104 CB LEU A 6 -6.105 -0.880 -0.107 1.00 0.00 C ATOM 105 CG LEU A 6 -6.605 -2.113 0.700 1.00 0.00 C ATOM 106 CD1 LEU A 6 -7.804 -1.719 1.602 1.00 0.00 C ATOM 107 CD2 LEU A 6 -7.023 -3.272 -0.240 1.00 0.00 C ATOM 108 H LEU A 6 -4.610 0.555 -1.925 1.00 0.00 H ATOM 109 HA LEU A 6 -4.091 -0.897 0.637 1.00 0.00 H ATOM 110 HB2 LEU A 6 -6.319 0.035 0.471 1.00 0.00 H ATOM 111 HB3 LEU A 6 -6.645 -0.806 -1.067 1.00 0.00 H ATOM 112 HG LEU A 6 -5.813 -2.481 1.368 1.00 0.00 H ATOM 113 HD11 LEU A 6 -8.622 -1.306 0.988 1.00 0.00 H ATOM 114 HD12 LEU A 6 -7.495 -0.964 2.345 1.00 0.00 H ATOM 115 HD13 LEU A 6 -8.175 -2.601 2.148 1.00 0.00 H ATOM 116 HD21 LEU A 6 -7.357 -4.125 0.367 1.00 0.00 H ATOM 117 HD22 LEU A 6 -6.175 -3.590 -0.862 1.00 0.00 H ATOM 118 HD23 LEU A 6 -7.851 -2.962 -0.894 1.00 0.00 H ATOM 119 N CYS A 7 -3.370 -2.989 -0.550 1.00 0.00 N ATOM 120 CA CYS A 7 -2.660 -4.003 -1.319 1.00 0.00 C ATOM 121 C CYS A 7 -3.645 -5.029 -1.808 1.00 0.00 C ATOM 122 O CYS A 7 -4.313 -5.625 -0.982 1.00 0.00 O ATOM 123 CB CYS A 7 -1.567 -4.631 -0.417 1.00 0.00 C ATOM 124 SG CYS A 7 -0.549 -5.860 -1.276 1.00 -1.00 S ATOM 125 H CYS A 7 -3.317 -3.034 0.449 1.00 0.00 H ATOM 126 HA CYS A 7 -2.155 -3.520 -2.166 1.00 0.00 H ATOM 127 HB2 CYS A 7 -0.891 -3.846 -0.052 1.00 0.00 H ATOM 128 HB3 CYS A 7 -2.026 -5.132 0.442 1.00 0.00 H ATOM 129 N ASN A 8 -3.755 -5.253 -3.138 1.00 0.00 N ATOM 130 CA ASN A 8 -4.697 -6.259 -3.626 1.00 0.00 C ATOM 131 C ASN A 8 -4.207 -7.650 -3.291 1.00 0.00 C ATOM 132 O ASN A 8 -5.021 -8.560 -3.282 1.00 0.00 O ATOM 133 CB ASN A 8 -4.950 -6.155 -5.161 1.00 0.00 C ATOM 134 CG ASN A 8 -6.387 -5.899 -5.556 1.00 0.00 C ATOM 135 OD1 ASN A 8 -7.177 -5.419 -4.758 1.00 0.00 O ATOM 136 ND2 ASN A 8 -6.761 -6.197 -6.818 1.00 0.00 N ATOM 137 H ASN A 8 -3.159 -4.782 -3.789 1.00 0.00 H ATOM 138 HA ASN A 8 -5.644 -6.130 -3.078 1.00 0.00 H ATOM 139 HB2 ASN A 8 -4.384 -5.326 -5.611 1.00 0.00 H ATOM 140 HB3 ASN A 8 -4.602 -7.083 -5.642 1.00 0.00 H ATOM 141 HD21 ASN A 8 -6.111 -6.576 -7.479 1.00 0.00 H ATOM 142 HD22 ASN A 8 -7.707 -6.031 -7.101 1.00 0.00 H ATOM 143 N LYS A 9 -2.895 -7.845 -3.025 1.00 0.00 N ATOM 144 CA LYS A 9 -2.386 -9.190 -2.790 1.00 0.00 C ATOM 145 C LYS A 9 -2.832 -9.700 -1.440 1.00 0.00 C ATOM 146 O LYS A 9 -3.446 -10.754 -1.395 1.00 0.00 O ATOM 147 CB LYS A 9 -0.835 -9.212 -2.929 1.00 0.00 C ATOM 148 CG LYS A 9 -0.266 -10.598 -3.330 1.00 0.00 C ATOM 149 CD LYS A 9 -0.493 -10.907 -4.837 1.00 0.00 C ATOM 150 CE LYS A 9 0.137 -12.262 -5.241 1.00 0.00 C ATOM 151 NZ LYS A 9 -0.274 -12.632 -6.614 1.00 1.00 N ATOM 152 H LYS A 9 -2.246 -7.089 -3.017 1.00 0.00 H ATOM 153 HA LYS A 9 -2.831 -9.839 -3.555 1.00 0.00 H ATOM 154 HB2 LYS A 9 -0.509 -8.496 -3.700 1.00 0.00 H ATOM 155 HB3 LYS A 9 -0.380 -8.907 -1.975 1.00 0.00 H ATOM 156 HG2 LYS A 9 0.823 -10.585 -3.151 1.00 0.00 H ATOM 157 HG3 LYS A 9 -0.716 -11.377 -2.696 1.00 0.00 H ATOM 158 HD2 LYS A 9 -1.566 -10.959 -5.067 1.00 0.00 H ATOM 159 HD3 LYS A 9 -0.041 -10.113 -5.453 1.00 0.00 H ATOM 160 HE2 LYS A 9 1.232 -12.182 -5.190 1.00 0.00 H ATOM 161 HE3 LYS A 9 -0.198 -13.047 -4.546 1.00 0.00 H ATOM 162 HZ1 LYS A 9 -0.022 -11.858 -7.325 1.00 0.00 H ATOM 163 HZ2 LYS A 9 -1.341 -12.802 -6.669 1.00 0.00 H ATOM 164 HZ3 LYS A 9 0.219 -13.543 -6.920 1.00 0.00 H ATOM 165 N CYS A 10 -2.543 -8.959 -0.345 1.00 0.00 N ATOM 166 CA CYS A 10 -2.952 -9.387 0.991 1.00 0.00 C ATOM 167 C CYS A 10 -4.121 -8.592 1.531 1.00 0.00 C ATOM 168 O CYS A 10 -4.468 -8.789 2.684 1.00 0.00 O ATOM 169 CB CYS A 10 -1.745 -9.255 1.947 1.00 0.00 C ATOM 170 SG CYS A 10 -1.439 -7.502 2.290 1.00 -1.00 S ATOM 171 H CYS A 10 -2.058 -8.088 -0.429 1.00 0.00 H ATOM 172 HA CYS A 10 -3.240 -10.450 0.991 1.00 0.00 H ATOM 173 HB2 CYS A 10 -1.964 -9.761 2.894 1.00 0.00 H ATOM 174 HB3 CYS A 10 -0.849 -9.711 1.499 1.00 0.00 H ATOM 175 N CYS A 11 -4.745 -7.698 0.731 1.00 0.00 N ATOM 176 CA CYS A 11 -5.936 -6.998 1.194 1.00 0.00 C ATOM 177 C CYS A 11 -5.720 -6.207 2.467 1.00 0.00 C ATOM 178 O CYS A 11 -6.604 -6.232 3.310 1.00 0.00 O ATOM 179 CB CYS A 11 -7.094 -8.020 1.304 1.00 0.00 C ATOM 180 SG CYS A 11 -8.704 -7.169 1.228 1.00 0.00 S ATOM 181 H CYS A 11 -4.458 -7.529 -0.211 1.00 0.00 H ATOM 182 HA CYS A 11 -6.230 -6.277 0.419 1.00 0.00 H ATOM 183 HB2 CYS A 11 -7.040 -8.725 0.459 1.00 0.00 H ATOM 184 HB3 CYS A 11 -7.027 -8.592 2.241 1.00 0.00 H ATOM 185 HG CYS A 11 -8.669 -6.884 0.261 1.00 0.00 H ATOM 186 N LEU A 12 -4.572 -5.502 2.613 1.00 0.00 N ATOM 187 CA LEU A 12 -4.319 -4.686 3.804 1.00 0.00 C ATOM 188 C LEU A 12 -4.089 -3.250 3.388 1.00 0.00 C ATOM 189 O LEU A 12 -3.466 -3.037 2.359 1.00 0.00 O ATOM 190 CB LEU A 12 -3.039 -5.166 4.545 1.00 0.00 C ATOM 191 CG LEU A 12 -2.880 -4.555 5.969 1.00 0.00 C ATOM 192 CD1 LEU A 12 -3.756 -5.286 7.026 1.00 0.00 C ATOM 193 CD2 LEU A 12 -1.407 -4.571 6.452 1.00 0.00 C ATOM 194 H LEU A 12 -3.872 -5.513 1.900 1.00 0.00 H ATOM 195 HA LEU A 12 -5.172 -4.750 4.494 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.061 -6.260 4.616 1.00 0.00 H ATOM 197 HB3 LEU A 12 -2.170 -4.886 3.929 1.00 0.00 H ATOM 198 HG LEU A 12 -3.177 -3.499 5.934 1.00 0.00 H ATOM 199 HD11 LEU A 12 -3.399 -6.318 7.157 1.00 0.00 H ATOM 200 HD12 LEU A 12 -4.819 -5.308 6.739 1.00 0.00 H ATOM 201 HD13 LEU A 12 -3.675 -4.790 8.005 1.00 0.00 H ATOM 202 HD21 LEU A 12 -0.745 -4.086 5.718 1.00 0.00 H ATOM 203 HD22 LEU A 12 -1.070 -5.596 6.636 1.00 0.00 H ATOM 204 HD23 LEU A 12 -1.336 -4.021 7.399 1.00 0.00 H ATOM 205 N ASN A 13 -4.557 -2.254 4.178 1.00 0.00 N ATOM 206 CA ASN A 13 -4.265 -0.862 3.851 1.00 0.00 C ATOM 207 C ASN A 13 -2.767 -0.648 3.823 1.00 0.00 C ATOM 208 O ASN A 13 -2.053 -1.449 4.408 1.00 0.00 O ATOM 209 CB ASN A 13 -4.874 0.095 4.904 1.00 0.00 C ATOM 210 CG ASN A 13 -4.777 1.524 4.433 1.00 0.00 C ATOM 211 OD1 ASN A 13 -3.878 2.230 4.864 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.686 1.966 3.538 1.00 0.00 N ATOM 213 H ASN A 13 -5.106 -2.447 4.995 1.00 0.00 H ATOM 214 HA ASN A 13 -4.720 -0.626 2.881 1.00 0.00 H ATOM 215 HB2 ASN A 13 -5.934 -0.150 5.077 1.00 0.00 H ATOM 216 HB3 ASN A 13 -4.330 -0.033 5.854 1.00 0.00 H ATOM 217 HD21 ASN A 13 -6.409 1.363 3.203 1.00 0.00 H ATOM 218 HD22 ASN A 13 -5.642 2.910 3.207 1.00 0.00 H ATOM 219 N ASN A 14 -2.269 0.423 3.163 1.00 0.00 N ATOM 220 CA ASN A 14 -0.828 0.679 3.137 1.00 0.00 C ATOM 221 C ASN A 14 -0.610 2.168 3.051 1.00 0.00 C ATOM 222 O ASN A 14 -1.540 2.835 2.634 1.00 0.00 O ATOM 223 CB ASN A 14 -0.211 0.023 1.879 1.00 0.00 C ATOM 224 CG ASN A 14 -0.862 -1.297 1.594 1.00 0.00 C ATOM 225 OD1 ASN A 14 -1.519 -1.395 0.570 1.00 0.00 O ATOM 226 ND2 ASN A 14 -0.712 -2.314 2.463 1.00 0.00 N ATOM 227 H ASN A 14 -2.867 1.042 2.648 1.00 0.00 H ATOM 228 HA ASN A 14 -0.339 0.283 4.041 1.00 0.00 H ATOM 229 HB2 ASN A 14 -0.406 0.694 1.024 1.00 0.00 H ATOM 230 HB3 ASN A 14 0.880 -0.105 1.993 1.00 0.00 H ATOM 231 HD21 ASN A 14 -0.177 -2.203 3.300 1.00 0.00 H ATOM 232 HD22 ASN A 14 -1.184 -3.179 2.302 1.00 0.00 H ATOM 233 N PHE A 15 0.573 2.710 3.416 1.00 0.00 N ATOM 234 CA PHE A 15 0.737 4.166 3.408 1.00 0.00 C ATOM 235 C PHE A 15 1.135 4.653 2.036 1.00 0.00 C ATOM 236 O PHE A 15 1.596 3.859 1.233 1.00 0.00 O ATOM 237 CB PHE A 15 1.813 4.639 4.420 1.00 0.00 C ATOM 238 CG PHE A 15 1.305 4.751 5.869 1.00 0.00 C ATOM 239 CD1 PHE A 15 0.407 3.828 6.417 1.00 0.00 C ATOM 240 CD2 PHE A 15 1.753 5.811 6.664 1.00 0.00 C ATOM 241 CE1 PHE A 15 -0.068 3.989 7.721 1.00 0.00 C ATOM 242 CE2 PHE A 15 1.290 5.965 7.972 1.00 0.00 C ATOM 243 CZ PHE A 15 0.374 5.060 8.500 1.00 0.00 C ATOM 244 H PHE A 15 1.339 2.127 3.693 1.00 0.00 H ATOM 245 HA PHE A 15 -0.213 4.649 3.688 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.677 3.965 4.381 1.00 0.00 H ATOM 247 HB3 PHE A 15 2.162 5.634 4.111 1.00 0.00 H ATOM 248 HD1 PHE A 15 0.065 2.976 5.844 1.00 0.00 H ATOM 249 HD2 PHE A 15 2.466 6.528 6.276 1.00 0.00 H ATOM 250 HE1 PHE A 15 -0.782 3.284 8.128 1.00 0.00 H ATOM 251 HE2 PHE A 15 1.647 6.793 8.576 1.00 0.00 H ATOM 252 HZ PHE A 15 0.002 5.186 9.512 1.00 0.00 H ATOM 253 N ARG A 16 0.967 5.970 1.763 1.00 0.00 N ATOM 254 CA ARG A 16 1.387 6.519 0.476 1.00 0.00 C ATOM 255 C ARG A 16 2.877 6.408 0.323 1.00 0.00 C ATOM 256 O ARG A 16 3.340 5.805 -0.632 1.00 0.00 O ATOM 257 CB ARG A 16 0.949 7.998 0.293 1.00 0.00 C ATOM 258 CG ARG A 16 1.718 8.777 -0.814 1.00 0.00 C ATOM 259 CD ARG A 16 1.712 8.126 -2.227 1.00 0.00 C ATOM 260 NE ARG A 16 3.057 7.754 -2.658 1.00 0.00 N ATOM 261 CZ ARG A 16 3.955 8.619 -3.075 1.00 1.00 C ATOM 262 NH1 ARG A 16 3.763 9.917 -3.089 1.00 0.00 N ATOM 263 NH2 ARG A 16 5.109 8.165 -3.501 1.00 0.00 N ATOM 264 H ARG A 16 0.572 6.591 2.443 1.00 0.00 H ATOM 265 HA ARG A 16 0.918 5.922 -0.313 1.00 0.00 H ATOM 266 HB2 ARG A 16 -0.131 8.013 0.095 1.00 0.00 H ATOM 267 HB3 ARG A 16 1.123 8.556 1.227 1.00 0.00 H ATOM 268 HG2 ARG A 16 1.251 9.771 -0.886 1.00 0.00 H ATOM 269 HG3 ARG A 16 2.761 8.926 -0.494 1.00 0.00 H ATOM 270 HD2 ARG A 16 1.087 7.223 -2.228 1.00 0.00 H ATOM 271 HD3 ARG A 16 1.276 8.788 -2.989 1.00 0.00 H ATOM 272 HE ARG A 16 3.282 6.745 -2.666 1.00 0.00 H ATOM 273 HH11 ARG A 16 2.890 10.340 -2.752 1.00 0.00 H ATOM 274 HH12 ARG A 16 4.495 10.555 -3.432 1.00 0.00 H ATOM 275 HH21 ARG A 16 5.315 7.155 -3.512 1.00 0.00 H ATOM 276 HH22 ARG A 16 5.842 8.807 -3.839 1.00 0.00 H ATOM 277 N LYS A 17 3.635 7.000 1.266 1.00 0.00 N ATOM 278 CA LYS A 17 5.085 6.994 1.132 1.00 0.00 C ATOM 279 C LYS A 17 5.618 5.597 0.966 1.00 0.00 C ATOM 280 O LYS A 17 6.666 5.447 0.360 1.00 0.00 O ATOM 281 CB LYS A 17 5.746 7.703 2.341 1.00 0.00 C ATOM 282 CG LYS A 17 5.596 6.906 3.666 1.00 0.00 C ATOM 283 CD LYS A 17 5.342 7.862 4.860 1.00 0.00 C ATOM 284 CE LYS A 17 5.450 7.139 6.228 1.00 0.00 C ATOM 285 NZ LYS A 17 6.840 7.081 6.721 1.00 1.00 N ATOM 286 H LYS A 17 3.214 7.471 2.043 1.00 0.00 H ATOM 287 HA LYS A 17 5.336 7.568 0.226 1.00 0.00 H ATOM 288 HB2 LYS A 17 6.819 7.852 2.136 1.00 0.00 H ATOM 289 HB3 LYS A 17 5.283 8.699 2.430 1.00 0.00 H ATOM 290 HG2 LYS A 17 4.734 6.226 3.627 1.00 0.00 H ATOM 291 HG3 LYS A 17 6.502 6.300 3.820 1.00 0.00 H ATOM 292 HD2 LYS A 17 6.042 8.711 4.834 1.00 0.00 H ATOM 293 HD3 LYS A 17 4.315 8.254 4.753 1.00 0.00 H ATOM 294 HE2 LYS A 17 4.853 7.693 6.971 1.00 0.00 H ATOM 295 HE3 LYS A 17 5.041 6.120 6.146 1.00 0.00 H ATOM 296 HZ1 LYS A 17 7.225 8.078 6.901 1.00 0.00 H ATOM 297 HZ2 LYS A 17 7.508 6.592 6.026 1.00 0.00 H ATOM 298 HZ3 LYS A 17 6.889 6.547 7.659 1.00 0.00 H ATOM 299 N ARG A 18 4.921 4.559 1.481 1.00 0.00 N ATOM 300 CA ARG A 18 5.428 3.211 1.306 1.00 0.00 C ATOM 301 C ARG A 18 5.195 2.802 -0.125 1.00 0.00 C ATOM 302 O ARG A 18 4.048 2.725 -0.534 1.00 0.00 O ATOM 303 CB ARG A 18 4.740 2.209 2.263 1.00 0.00 C ATOM 304 CG ARG A 18 5.118 2.450 3.750 1.00 0.00 C ATOM 305 CD ARG A 18 6.544 1.965 4.126 1.00 0.00 C ATOM 306 NE ARG A 18 6.677 0.511 4.035 1.00 0.00 N ATOM 307 CZ ARG A 18 7.808 -0.124 4.238 1.00 1.00 C ATOM 308 NH1 ARG A 18 8.913 0.482 4.603 1.00 0.00 N ATOM 309 NH2 ARG A 18 7.838 -1.424 4.066 1.00 0.00 N ATOM 310 H ARG A 18 4.045 4.674 1.948 1.00 0.00 H ATOM 311 HA ARG A 18 6.503 3.214 1.521 1.00 0.00 H ATOM 312 HB2 ARG A 18 3.648 2.283 2.142 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.044 1.201 1.966 1.00 0.00 H ATOM 314 HG2 ARG A 18 5.049 3.526 3.968 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.391 1.920 4.385 1.00 0.00 H ATOM 316 HD2 ARG A 18 7.282 2.445 3.472 1.00 0.00 H ATOM 317 HD3 ARG A 18 6.753 2.290 5.154 1.00 0.00 H ATOM 318 HE ARG A 18 5.838 -0.032 3.787 1.00 0.00 H ATOM 319 HH11 ARG A 18 8.947 1.496 4.762 1.00 0.00 H ATOM 320 HH12 ARG A 18 9.783 -0.050 4.749 1.00 0.00 H ATOM 321 HH21 ARG A 18 7.000 -1.942 3.761 1.00 0.00 H ATOM 322 HH22 ARG A 18 8.704 -1.960 4.221 1.00 0.00 H ATOM 323 N LEU A 19 6.278 2.542 -0.894 1.00 0.00 N ATOM 324 CA LEU A 19 6.104 2.121 -2.278 1.00 0.00 C ATOM 325 C LEU A 19 5.687 0.663 -2.289 1.00 0.00 C ATOM 326 O LEU A 19 4.925 0.310 -3.176 1.00 0.00 O ATOM 327 CB LEU A 19 7.421 2.396 -3.062 1.00 0.00 C ATOM 328 CG LEU A 19 7.221 2.625 -4.590 1.00 0.00 C ATOM 329 CD1 LEU A 19 6.670 4.050 -4.893 1.00 0.00 C ATOM 330 CD2 LEU A 19 8.579 2.458 -5.324 1.00 0.00 C ATOM 331 H LEU A 19 7.211 2.590 -0.534 1.00 0.00 H ATOM 332 HA LEU A 19 5.292 2.718 -2.718 1.00 0.00 H ATOM 333 HB2 LEU A 19 7.910 3.302 -2.671 1.00 0.00 H ATOM 334 HB3 LEU A 19 8.095 1.547 -2.881 1.00 0.00 H ATOM 335 HG LEU A 19 6.524 1.868 -4.984 1.00 0.00 H ATOM 336 HD11 LEU A 19 6.587 4.193 -5.981 1.00 0.00 H ATOM 337 HD12 LEU A 19 7.348 4.821 -4.493 1.00 0.00 H ATOM 338 HD13 LEU A 19 5.671 4.204 -4.457 1.00 0.00 H ATOM 339 HD21 LEU A 19 9.307 3.198 -4.952 1.00 0.00 H ATOM 340 HD22 LEU A 19 8.444 2.604 -6.408 1.00 0.00 H ATOM 341 HD23 LEU A 19 8.985 1.445 -5.160 1.00 0.00 H ATOM 342 N LYS A 20 6.151 -0.175 -1.323 1.00 0.00 N ATOM 343 CA LYS A 20 5.685 -1.562 -1.232 1.00 0.00 C ATOM 344 C LYS A 20 4.759 -1.756 -0.055 1.00 0.00 C ATOM 345 O LYS A 20 4.713 -0.909 0.823 1.00 0.00 O ATOM 346 CB LYS A 20 6.834 -2.595 -1.081 1.00 0.00 C ATOM 347 CG LYS A 20 7.682 -2.826 -2.360 1.00 0.00 C ATOM 348 CD LYS A 20 8.845 -1.813 -2.502 1.00 0.00 C ATOM 349 CE LYS A 20 9.789 -2.166 -3.683 1.00 0.00 C ATOM 350 NZ LYS A 20 10.415 -3.501 -3.557 1.00 1.00 N ATOM 351 H LYS A 20 6.788 0.134 -0.612 1.00 0.00 H ATOM 352 HA LYS A 20 5.095 -1.821 -2.116 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.471 -2.326 -0.224 1.00 0.00 H ATOM 354 HB3 LYS A 20 6.382 -3.571 -0.858 1.00 0.00 H ATOM 355 HG2 LYS A 20 8.116 -3.832 -2.268 1.00 0.00 H ATOM 356 HG3 LYS A 20 7.051 -2.805 -3.263 1.00 0.00 H ATOM 357 HD2 LYS A 20 8.425 -0.812 -2.670 1.00 0.00 H ATOM 358 HD3 LYS A 20 9.437 -1.794 -1.573 1.00 0.00 H ATOM 359 HE2 LYS A 20 9.233 -2.110 -4.633 1.00 0.00 H ATOM 360 HE3 LYS A 20 10.584 -1.402 -3.705 1.00 0.00 H ATOM 361 HZ1 LYS A 20 10.735 -3.708 -2.544 1.00 0.00 H ATOM 362 HZ2 LYS A 20 11.297 -3.566 -4.181 1.00 0.00 H ATOM 363 HZ3 LYS A 20 9.766 -4.301 -3.889 1.00 0.00 H ATOM 364 N CYS A 21 4.007 -2.880 -0.025 1.00 0.00 N ATOM 365 CA CYS A 21 3.065 -3.117 1.065 1.00 0.00 C ATOM 366 C CYS A 21 3.797 -3.274 2.373 1.00 0.00 C ATOM 367 O CYS A 21 4.958 -3.653 2.355 1.00 0.00 O ATOM 368 CB CYS A 21 2.291 -4.425 0.765 1.00 0.00 C ATOM 369 SG CYS A 21 1.114 -4.867 2.071 1.00 -1.00 S ATOM 370 H CYS A 21 4.054 -3.560 -0.759 1.00 0.00 H ATOM 371 HA CYS A 21 2.351 -2.279 1.121 1.00 0.00 H ATOM 372 HB2 CYS A 21 1.736 -4.326 -0.177 1.00 0.00 H ATOM 373 HB3 CYS A 21 3.000 -5.257 0.683 1.00 0.00 H ATOM 374 N PHE A 22 3.109 -3.000 3.504 1.00 0.00 N ATOM 375 CA PHE A 22 3.691 -3.222 4.824 1.00 0.00 C ATOM 376 C PHE A 22 3.110 -4.491 5.407 1.00 0.00 C ATOM 377 O PHE A 22 2.651 -4.492 6.539 1.00 0.00 O ATOM 378 CB PHE A 22 3.424 -1.941 5.657 1.00 0.00 C ATOM 379 CG PHE A 22 4.164 -1.891 6.999 1.00 0.00 C ATOM 380 CD1 PHE A 22 5.563 -1.908 7.034 1.00 0.00 C ATOM 381 CD2 PHE A 22 3.455 -1.803 8.204 1.00 0.00 C ATOM 382 CE1 PHE A 22 6.243 -1.852 8.251 1.00 0.00 C ATOM 383 CE2 PHE A 22 4.134 -1.708 9.419 1.00 0.00 C ATOM 384 CZ PHE A 22 5.530 -1.742 9.443 1.00 0.00 C ATOM 385 H PHE A 22 2.163 -2.676 3.466 1.00 0.00 H ATOM 386 HA PHE A 22 4.778 -3.366 4.756 1.00 0.00 H ATOM 387 HB2 PHE A 22 3.765 -1.071 5.074 1.00 0.00 H ATOM 388 HB3 PHE A 22 2.339 -1.845 5.814 1.00 0.00 H ATOM 389 HD1 PHE A 22 6.133 -1.960 6.116 1.00 0.00 H ATOM 390 HD2 PHE A 22 2.370 -1.803 8.205 1.00 0.00 H ATOM 391 HE1 PHE A 22 7.327 -1.892 8.268 1.00 0.00 H ATOM 392 HE2 PHE A 22 3.579 -1.610 10.345 1.00 0.00 H ATOM 393 HZ PHE A 22 6.059 -1.680 10.389 1.00 0.00 H ATOM 394 N ARG A 23 3.159 -5.588 4.617 1.00 0.00 N ATOM 395 CA ARG A 23 2.775 -6.915 5.102 1.00 0.00 C ATOM 396 C ARG A 23 3.480 -7.953 4.248 1.00 0.00 C ATOM 397 O ARG A 23 4.260 -8.725 4.786 1.00 0.00 O ATOM 398 CB ARG A 23 1.247 -7.221 5.097 1.00 0.00 C ATOM 399 CG ARG A 23 0.924 -8.387 6.076 1.00 0.00 C ATOM 400 CD ARG A 23 -0.193 -9.373 5.631 1.00 0.00 C ATOM 401 NE ARG A 23 -1.561 -8.860 5.665 1.00 0.00 N ATOM 402 CZ ARG A 23 -2.618 -9.621 5.462 1.00 1.00 C ATOM 403 NH1 ARG A 23 -2.535 -10.901 5.179 1.00 0.00 N ATOM 404 NH2 ARG A 23 -3.820 -9.101 5.542 1.00 0.00 N ATOM 405 H ARG A 23 3.524 -5.507 3.696 1.00 0.00 H ATOM 406 HA ARG A 23 3.150 -7.000 6.136 1.00 0.00 H ATOM 407 HB2 ARG A 23 0.694 -6.324 5.397 1.00 0.00 H ATOM 408 HB3 ARG A 23 0.911 -7.482 4.088 1.00 0.00 H ATOM 409 HG2 ARG A 23 1.821 -9.020 6.177 1.00 0.00 H ATOM 410 HG3 ARG A 23 0.699 -7.963 7.068 1.00 0.00 H ATOM 411 HD2 ARG A 23 0.047 -9.754 4.625 1.00 0.00 H ATOM 412 HD3 ARG A 23 -0.139 -10.202 6.356 1.00 0.00 H ATOM 413 HE ARG A 23 -1.688 -7.864 5.885 1.00 0.00 H ATOM 414 HH11 ARG A 23 -1.633 -11.380 5.089 1.00 0.00 H ATOM 415 HH12 ARG A 23 -3.386 -11.464 5.032 1.00 0.00 H ATOM 416 HH21 ARG A 23 -3.955 -8.110 5.767 1.00 0.00 H ATOM 417 HH22 ARG A 23 -4.662 -9.672 5.387 1.00 0.00 H ATOM 418 N CYS A 24 3.216 -7.971 2.921 1.00 0.00 N ATOM 419 CA CYS A 24 3.849 -8.929 2.017 1.00 0.00 C ATOM 420 C CYS A 24 4.961 -8.316 1.192 1.00 0.00 C ATOM 421 O CYS A 24 5.503 -9.018 0.354 1.00 0.00 O ATOM 422 CB CYS A 24 2.756 -9.540 1.100 1.00 0.00 C ATOM 423 SG CYS A 24 1.897 -8.266 0.115 1.00 -1.00 S ATOM 424 H CYS A 24 2.596 -7.304 2.514 1.00 0.00 H ATOM 425 HA CYS A 24 4.290 -9.770 2.576 1.00 0.00 H ATOM 426 HB2 CYS A 24 3.199 -10.275 0.412 1.00 0.00 H ATOM 427 HB3 CYS A 24 2.003 -10.050 1.722 1.00 0.00 H ATOM 428 N GLY A 25 5.335 -7.031 1.391 1.00 0.00 N ATOM 429 CA GLY A 25 6.422 -6.454 0.608 1.00 0.00 C ATOM 430 C GLY A 25 6.181 -6.469 -0.879 1.00 0.00 C ATOM 431 O GLY A 25 7.148 -6.311 -1.609 1.00 0.00 O ATOM 432 H GLY A 25 4.911 -6.444 2.077 1.00 0.00 H ATOM 433 HA2 GLY A 25 6.585 -5.408 0.913 1.00 0.00 H ATOM 434 HA3 GLY A 25 7.342 -7.018 0.824 1.00 0.00 H ATOM 435 N ALA A 26 4.925 -6.649 -1.349 1.00 0.00 N ATOM 436 CA ALA A 26 4.676 -6.673 -2.783 1.00 0.00 C ATOM 437 C ALA A 26 4.337 -5.276 -3.232 1.00 0.00 C ATOM 438 O ALA A 26 3.703 -4.563 -2.468 1.00 0.00 O ATOM 439 CB ALA A 26 3.502 -7.627 -3.101 1.00 0.00 C ATOM 440 H ALA A 26 4.139 -6.730 -0.744 1.00 0.00 H ATOM 441 HA ALA A 26 5.560 -7.064 -3.315 1.00 0.00 H ATOM 442 HB1 ALA A 26 2.560 -7.235 -2.688 1.00 0.00 H ATOM 443 HB2 ALA A 26 3.397 -7.735 -4.188 1.00 0.00 H ATOM 444 HB3 ALA A 26 3.703 -8.619 -2.664 1.00 0.00 H ATOM 445 N ASP A 27 4.754 -4.867 -4.450 1.00 0.00 N ATOM 446 CA ASP A 27 4.456 -3.511 -4.898 1.00 0.00 C ATOM 447 C ASP A 27 3.007 -3.416 -5.295 1.00 0.00 C ATOM 448 O ASP A 27 2.374 -4.440 -5.485 1.00 0.00 O ATOM 449 CB ASP A 27 5.396 -3.070 -6.049 1.00 0.00 C ATOM 450 CG ASP A 27 5.389 -1.573 -6.213 1.00 0.00 C ATOM 451 OD1 ASP A 27 4.498 -1.054 -6.940 1.00 -0.50 O ATOM 452 OD2 ASP A 27 6.272 -0.903 -5.613 1.00 -0.50 O ATOM 453 H ASP A 27 5.257 -5.478 -5.060 1.00 0.00 H ATOM 454 HA ASP A 27 4.631 -2.821 -4.068 1.00 0.00 H ATOM 455 HB2 ASP A 27 6.426 -3.378 -5.811 1.00 0.00 H ATOM 456 HB3 ASP A 27 5.091 -3.556 -6.988 1.00 0.00 H ATOM 457 N LYS A 28 2.478 -2.182 -5.429 1.00 0.00 N ATOM 458 CA LYS A 28 1.108 -2.025 -5.901 1.00 0.00 C ATOM 459 C LYS A 28 0.942 -2.723 -7.226 1.00 0.00 C ATOM 460 O LYS A 28 -0.143 -3.229 -7.472 1.00 0.00 O ATOM 461 CB LYS A 28 0.749 -0.522 -6.067 1.00 0.00 C ATOM 462 CG LYS A 28 0.841 0.230 -4.706 1.00 0.00 C ATOM 463 CD LYS A 28 1.865 1.397 -4.653 1.00 0.00 C ATOM 464 CE LYS A 28 1.231 2.774 -4.970 1.00 0.00 C ATOM 465 NZ LYS A 28 0.673 2.854 -6.334 1.00 1.00 N ATOM 466 H LYS A 28 3.019 -1.364 -5.236 1.00 0.00 H ATOM 467 HA LYS A 28 0.419 -2.482 -5.173 1.00 0.00 H ATOM 468 HB2 LYS A 28 1.412 -0.076 -6.824 1.00 0.00 H ATOM 469 HB3 LYS A 28 -0.284 -0.464 -6.445 1.00 0.00 H ATOM 470 HG2 LYS A 28 -0.155 0.590 -4.407 1.00 0.00 H ATOM 471 HG3 LYS A 28 1.169 -0.494 -3.952 1.00 0.00 H ATOM 472 HD2 LYS A 28 2.251 1.472 -3.624 1.00 0.00 H ATOM 473 HD3 LYS A 28 2.724 1.206 -5.311 1.00 0.00 H ATOM 474 HE2 LYS A 28 0.437 2.991 -4.238 1.00 0.00 H ATOM 475 HE3 LYS A 28 2.013 3.544 -4.862 1.00 0.00 H ATOM 476 HZ1 LYS A 28 1.427 2.630 -7.077 1.00 0.00 H ATOM 477 HZ2 LYS A 28 0.309 3.858 -6.518 1.00 0.00 H ATOM 478 HZ3 LYS A 28 -0.165 2.187 -6.468 1.00 0.00 H ATOM 479 N PHE A 29 1.995 -2.759 -8.078 1.00 0.00 N ATOM 480 CA PHE A 29 1.877 -3.380 -9.393 1.00 0.00 C ATOM 481 C PHE A 29 2.603 -4.707 -9.456 1.00 0.00 C ATOM 482 O PHE A 29 3.064 -5.077 -10.524 1.00 0.00 O ATOM 483 CB PHE A 29 2.412 -2.366 -10.442 1.00 0.00 C ATOM 484 CG PHE A 29 1.446 -2.247 -11.625 1.00 0.00 C ATOM 485 CD1 PHE A 29 1.514 -3.143 -12.696 1.00 0.00 C ATOM 486 CD2 PHE A 29 0.489 -1.227 -11.640 1.00 0.00 C ATOM 487 CE1 PHE A 29 0.639 -3.013 -13.777 1.00 0.00 C ATOM 488 CE2 PHE A 29 -0.371 -1.085 -12.729 1.00 0.00 C ATOM 489 CZ PHE A 29 -0.298 -1.978 -13.798 1.00 0.00 C ATOM 490 H PHE A 29 2.880 -2.359 -7.835 1.00 0.00 H ATOM 491 HA PHE A 29 0.824 -3.583 -9.634 1.00 0.00 H ATOM 492 HB2 PHE A 29 2.492 -1.368 -9.984 1.00 0.00 H ATOM 493 HB3 PHE A 29 3.421 -2.638 -10.789 1.00 0.00 H ATOM 494 HD1 PHE A 29 2.245 -3.942 -12.696 1.00 0.00 H ATOM 495 HD2 PHE A 29 0.404 -0.538 -10.806 1.00 0.00 H ATOM 496 HE1 PHE A 29 0.687 -3.718 -14.599 1.00 0.00 H ATOM 497 HE2 PHE A 29 -1.098 -0.280 -12.743 1.00 0.00 H ATOM 498 HZ PHE A 29 -0.968 -1.869 -14.644 1.00 0.00 H ATOM 499 N ASP A 30 2.723 -5.454 -8.334 1.00 0.00 N ATOM 500 CA ASP A 30 3.447 -6.723 -8.377 1.00 0.00 C ATOM 501 C ASP A 30 3.018 -7.569 -7.177 1.00 0.00 C ATOM 502 O ASP A 30 2.292 -7.092 -6.306 1.00 0.00 O ATOM 503 CB ASP A 30 4.968 -6.425 -8.358 1.00 0.00 C ATOM 504 CG ASP A 30 5.794 -7.637 -8.693 1.00 0.00 C ATOM 505 OD1 ASP A 30 5.859 -7.994 -9.901 1.00 -0.50 O ATOM 506 OD2 ASP A 30 6.382 -8.239 -7.756 1.00 -0.50 O ATOM 507 H ASP A 30 2.349 -5.157 -7.455 1.00 0.00 H ATOM 508 HA ASP A 30 3.189 -7.271 -9.298 1.00 0.00 H ATOM 509 HB2 ASP A 30 5.204 -5.643 -9.095 1.00 0.00 H ATOM 510 HB3 ASP A 30 5.248 -6.055 -7.364 1.00 0.00 H HETATM 511 N NH2 A 31 3.432 -8.853 -7.099 1.00 0.00 N HETATM 512 HN1 NH2 A 31 3.161 -9.412 -6.314 1.00 0.00 H HETATM 513 HN2 NH2 A 31 3.989 -9.271 -7.815 1.00 0.00 H TER 514 NH2 A 31 HETATM 515 C1 AQN A 32 2.219 1.565 7.726 1.00 0.00 C HETATM 516 C2 AQN A 32 1.134 1.033 8.432 1.00 0.00 C HETATM 517 C3 AQN A 32 0.141 0.122 7.748 1.00 0.00 C HETATM 518 O3 AQN A 32 0.289 -0.166 6.571 1.00 0.00 O HETATM 519 C4 AQN A 32 -1.031 -0.442 8.522 1.00 0.00 C HETATM 520 C5 AQN A 32 -1.979 -1.247 7.890 1.00 0.00 C HETATM 521 C6 AQN A 32 -3.033 -1.812 8.610 1.00 0.00 C HETATM 522 C7 AQN A 32 -3.153 -1.553 9.976 1.00 0.00 C HETATM 523 C8 AQN A 32 -2.229 -0.721 10.608 1.00 0.00 C HETATM 524 C9 AQN A 32 -1.173 -0.163 9.882 1.00 0.00 C HETATM 525 C10 AQN A 32 -0.180 0.744 10.568 1.00 0.00 C HETATM 526 O10 AQN A 32 -0.307 0.992 11.756 1.00 0.00 O HETATM 527 C11 AQN A 32 0.971 1.336 9.786 1.00 0.00 C HETATM 528 C12 AQN A 32 1.872 2.192 10.420 1.00 0.00 C HETATM 529 C13 AQN A 32 2.965 2.704 9.720 1.00 0.00 C HETATM 530 C14 AQN A 32 3.170 2.349 8.385 1.00 0.00 C HETATM 531 S15 AQN A 32 4.640 2.886 7.539 1.00 0.00 S HETATM 532 OS1 AQN A 32 5.234 1.723 6.914 1.00 0.00 O HETATM 533 OS2 AQN A 32 4.071 3.773 6.479 1.00 -1.00 O HETATM 534 OS3 AQN A 32 5.437 3.712 8.427 1.00 0.00 O HETATM 535 H1 AQN A 32 2.333 1.365 6.665 1.00 0.00 H HETATM 536 H5 AQN A 32 -1.905 -1.441 6.834 1.00 0.00 H HETATM 537 H6 AQN A 32 -3.754 -2.447 8.111 1.00 0.00 H HETATM 538 H7 AQN A 32 -3.960 -1.997 10.545 1.00 0.00 H HETATM 539 H8 AQN A 32 -2.334 -0.514 11.666 1.00 0.00 H HETATM 540 H12 AQN A 32 1.732 2.465 11.460 1.00 0.00 H HETATM 541 H13 AQN A 32 3.652 3.375 10.221 1.00 0.00 H HETATM 542 ZN ZN A 33 0.247 -6.702 0.811 1.00 2.00 ZN