HETATM 1 C ACE A 0 0.011 15.321 0.455 1.00 0.00 C HETATM 2 O ACE A 0 -0.593 15.175 1.527 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.198 16.251 0.377 1.00 0.00 C HETATM 4 H1 ACE A 0 1.006 17.039 -0.351 1.00 0.00 H HETATM 5 H2 ACE A 0 2.086 15.696 0.074 1.00 0.00 H HETATM 6 H3 ACE A 0 1.371 16.688 1.361 1.00 0.00 H ATOM 7 N LYS A 1 -0.303 14.703 -0.698 1.00 0.00 N ATOM 8 CA LYS A 1 -1.431 13.783 -0.741 1.00 0.00 C ATOM 9 C LYS A 1 -0.976 12.460 -0.180 1.00 0.00 C ATOM 10 O LYS A 1 -0.480 11.640 -0.935 1.00 0.00 O ATOM 11 CB LYS A 1 -1.983 13.637 -2.183 1.00 0.00 C ATOM 12 CG LYS A 1 -3.133 12.593 -2.236 1.00 0.00 C ATOM 13 CD LYS A 1 -4.218 12.932 -3.290 1.00 0.00 C ATOM 14 CE LYS A 1 -3.674 12.992 -4.739 1.00 0.00 C ATOM 15 NZ LYS A 1 -4.749 13.391 -5.673 1.00 1.00 N ATOM 16 H LYS A 1 0.250 14.835 -1.523 1.00 0.00 H ATOM 17 HA LYS A 1 -2.258 14.191 -0.138 1.00 0.00 H ATOM 18 HB2 LYS A 1 -2.356 14.630 -2.480 1.00 0.00 H ATOM 19 HB3 LYS A 1 -1.187 13.339 -2.883 1.00 0.00 H ATOM 20 HG2 LYS A 1 -2.719 11.592 -2.433 1.00 0.00 H ATOM 21 HG3 LYS A 1 -3.643 12.565 -1.260 1.00 0.00 H ATOM 22 HD2 LYS A 1 -5.001 12.156 -3.239 1.00 0.00 H ATOM 23 HD3 LYS A 1 -4.675 13.899 -3.029 1.00 0.00 H ATOM 24 HE2 LYS A 1 -2.859 13.727 -4.814 1.00 0.00 H ATOM 25 HE3 LYS A 1 -3.285 12.001 -5.024 1.00 0.00 H ATOM 26 HZ1 LYS A 1 -5.579 12.698 -5.644 1.00 0.00 H ATOM 27 HZ2 LYS A 1 -4.373 13.420 -6.686 1.00 0.00 H ATOM 28 HZ3 LYS A 1 -5.121 14.379 -5.439 1.00 0.00 H ATOM 29 N PHE A 2 -1.144 12.239 1.145 1.00 0.00 N ATOM 30 CA PHE A 2 -0.744 10.967 1.736 1.00 0.00 C ATOM 31 C PHE A 2 -1.908 10.009 1.662 1.00 0.00 C ATOM 32 O PHE A 2 -2.367 9.539 2.692 1.00 0.00 O ATOM 33 CB PHE A 2 -0.307 11.193 3.206 1.00 0.00 C ATOM 34 CG PHE A 2 0.763 12.286 3.260 1.00 0.00 C ATOM 35 CD1 PHE A 2 2.064 12.004 2.834 1.00 0.00 C ATOM 36 CD2 PHE A 2 0.455 13.566 3.731 1.00 0.00 C ATOM 37 CE1 PHE A 2 3.044 12.999 2.862 1.00 0.00 C ATOM 38 CE2 PHE A 2 1.434 14.561 3.758 1.00 0.00 C ATOM 39 CZ PHE A 2 2.730 14.279 3.321 1.00 0.00 C ATOM 40 H PHE A 2 -1.578 12.920 1.736 1.00 0.00 H ATOM 41 HA PHE A 2 0.116 10.547 1.196 1.00 0.00 H ATOM 42 HB2 PHE A 2 -1.174 11.493 3.817 1.00 0.00 H ATOM 43 HB3 PHE A 2 0.099 10.259 3.622 1.00 0.00 H ATOM 44 HD1 PHE A 2 2.319 11.011 2.480 1.00 0.00 H ATOM 45 HD2 PHE A 2 -0.545 13.803 4.077 1.00 0.00 H ATOM 46 HE1 PHE A 2 4.051 12.776 2.526 1.00 0.00 H ATOM 47 HE2 PHE A 2 1.188 15.555 4.118 1.00 0.00 H ATOM 48 HZ PHE A 2 3.490 15.053 3.340 1.00 0.00 H ATOM 49 N GLU A 3 -2.409 9.718 0.442 1.00 0.00 N ATOM 50 CA GLU A 3 -3.606 8.897 0.327 1.00 0.00 C ATOM 51 C GLU A 3 -3.204 7.448 0.230 1.00 0.00 C ATOM 52 O GLU A 3 -2.992 6.956 -0.867 1.00 0.00 O ATOM 53 CB GLU A 3 -4.459 9.362 -0.877 1.00 0.00 C ATOM 54 CG GLU A 3 -5.761 8.530 -1.022 1.00 0.00 C ATOM 55 CD GLU A 3 -6.915 9.466 -1.266 1.00 0.00 C ATOM 56 OE1 GLU A 3 -7.095 9.899 -2.436 1.00 -0.50 O ATOM 57 OE2 GLU A 3 -7.642 9.779 -0.284 1.00 -0.50 O ATOM 58 H GLU A 3 -1.971 10.044 -0.395 1.00 0.00 H ATOM 59 HA GLU A 3 -4.256 9.055 1.204 1.00 0.00 H ATOM 60 HB2 GLU A 3 -4.721 10.413 -0.685 1.00 0.00 H ATOM 61 HB3 GLU A 3 -3.882 9.323 -1.811 1.00 0.00 H ATOM 62 HG2 GLU A 3 -5.666 7.821 -1.859 1.00 0.00 H ATOM 63 HG3 GLU A 3 -5.971 7.951 -0.110 1.00 0.00 H ATOM 64 N ASP A 4 -3.103 6.775 1.399 1.00 0.00 N ATOM 65 CA ASP A 4 -2.794 5.347 1.449 1.00 0.00 C ATOM 66 C ASP A 4 -3.490 4.511 0.398 1.00 0.00 C ATOM 67 O ASP A 4 -4.454 4.977 -0.190 1.00 0.00 O ATOM 68 CB ASP A 4 -3.213 4.827 2.849 1.00 0.00 C ATOM 69 CG ASP A 4 -4.620 5.240 3.200 1.00 0.00 C ATOM 70 OD1 ASP A 4 -5.480 5.317 2.283 1.00 -0.50 O ATOM 71 OD2 ASP A 4 -4.875 5.493 4.408 1.00 -0.50 O ATOM 72 H ASP A 4 -3.204 7.262 2.268 1.00 0.00 H ATOM 73 HA ASP A 4 -1.706 5.228 1.325 1.00 0.00 H ATOM 74 HB2 ASP A 4 -3.147 3.733 2.892 1.00 0.00 H ATOM 75 HB3 ASP A 4 -2.529 5.247 3.604 1.00 0.00 H ATOM 76 N TRP A 5 -3.003 3.268 0.161 1.00 0.00 N ATOM 77 CA TRP A 5 -3.564 2.428 -0.893 1.00 0.00 C ATOM 78 C TRP A 5 -3.808 1.030 -0.399 1.00 0.00 C ATOM 79 O TRP A 5 -3.172 0.638 0.565 1.00 0.00 O ATOM 80 CB TRP A 5 -2.600 2.362 -2.098 1.00 0.00 C ATOM 81 CG TRP A 5 -1.178 2.108 -1.677 1.00 0.00 C ATOM 82 CD1 TRP A 5 -0.271 3.057 -1.407 1.00 0.00 C ATOM 83 CD2 TRP A 5 -0.476 0.782 -1.500 1.00 0.00 C ATOM 84 NE1 TRP A 5 0.877 2.507 -1.108 1.00 0.00 N ATOM 85 CE2 TRP A 5 0.813 1.165 -1.184 1.00 0.00 C ATOM 86 CE3 TRP A 5 -0.844 -0.555 -1.604 1.00 0.00 C ATOM 87 CZ2 TRP A 5 1.836 0.233 -1.012 1.00 0.00 C ATOM 88 CZ3 TRP A 5 0.183 -1.500 -1.472 1.00 0.00 C ATOM 89 CH2 TRP A 5 1.504 -1.108 -1.222 1.00 0.00 C ATOM 90 H TRP A 5 -2.229 2.908 0.683 1.00 0.00 H ATOM 91 HA TRP A 5 -4.531 2.823 -1.243 1.00 0.00 H ATOM 92 HB2 TRP A 5 -2.927 1.587 -2.805 1.00 0.00 H ATOM 93 HB3 TRP A 5 -2.642 3.338 -2.607 1.00 0.00 H ATOM 94 HD1 TRP A 5 -0.495 4.119 -1.447 1.00 0.00 H ATOM 95 HE1 TRP A 5 1.728 3.036 -0.866 1.00 0.00 H ATOM 96 HE3 TRP A 5 -1.869 -0.846 -1.790 1.00 0.00 H ATOM 97 HZ2 TRP A 5 2.842 0.531 -0.741 1.00 0.00 H ATOM 98 HZ3 TRP A 5 -0.034 -2.557 -1.566 1.00 0.00 H ATOM 99 HH2 TRP A 5 2.280 -1.862 -1.198 1.00 0.00 H ATOM 100 N LEU A 6 -4.730 0.288 -1.059 1.00 0.00 N ATOM 101 CA LEU A 6 -5.105 -1.035 -0.574 1.00 0.00 C ATOM 102 C LEU A 6 -4.356 -2.065 -1.381 1.00 0.00 C ATOM 103 O LEU A 6 -4.381 -1.977 -2.598 1.00 0.00 O ATOM 104 CB LEU A 6 -6.645 -1.186 -0.668 1.00 0.00 C ATOM 105 CG LEU A 6 -7.216 -2.312 0.246 1.00 0.00 C ATOM 106 CD1 LEU A 6 -8.259 -1.734 1.239 1.00 0.00 C ATOM 107 CD2 LEU A 6 -7.869 -3.431 -0.602 1.00 0.00 C ATOM 108 H LEU A 6 -5.181 0.625 -1.888 1.00 0.00 H ATOM 109 HA LEU A 6 -4.841 -1.108 0.485 1.00 0.00 H ATOM 110 HB2 LEU A 6 -7.063 -0.220 -0.344 1.00 0.00 H ATOM 111 HB3 LEU A 6 -6.937 -1.335 -1.719 1.00 0.00 H ATOM 112 HG LEU A 6 -6.416 -2.784 0.843 1.00 0.00 H ATOM 113 HD11 LEU A 6 -8.648 -2.533 1.891 1.00 0.00 H ATOM 114 HD12 LEU A 6 -9.105 -1.279 0.696 1.00 0.00 H ATOM 115 HD13 LEU A 6 -7.787 -0.967 1.873 1.00 0.00 H ATOM 116 HD21 LEU A 6 -8.243 -4.226 0.062 1.00 0.00 H ATOM 117 HD22 LEU A 6 -7.122 -3.859 -1.288 1.00 0.00 H ATOM 118 HD23 LEU A 6 -8.712 -3.030 -1.188 1.00 0.00 H ATOM 119 N CYS A 7 -3.671 -3.030 -0.728 1.00 0.00 N ATOM 120 CA CYS A 7 -2.828 -3.955 -1.481 1.00 0.00 C ATOM 121 C CYS A 7 -3.689 -4.864 -2.315 1.00 0.00 C ATOM 122 O CYS A 7 -4.841 -5.048 -1.962 1.00 0.00 O ATOM 123 CB CYS A 7 -1.956 -4.755 -0.483 1.00 0.00 C ATOM 124 SG CYS A 7 -0.654 -5.793 -1.187 1.00 -1.00 S ATOM 125 H CYS A 7 -3.704 -3.114 0.270 1.00 0.00 H ATOM 126 HA CYS A 7 -2.170 -3.375 -2.145 1.00 0.00 H ATOM 127 HB2 CYS A 7 -1.431 -4.048 0.168 1.00 0.00 H ATOM 128 HB3 CYS A 7 -2.593 -5.415 0.110 1.00 0.00 H ATOM 129 N ASN A 8 -3.133 -5.433 -3.411 1.00 0.00 N ATOM 130 CA ASN A 8 -3.894 -6.366 -4.239 1.00 0.00 C ATOM 131 C ASN A 8 -3.461 -7.790 -3.958 1.00 0.00 C ATOM 132 O ASN A 8 -3.635 -8.642 -4.815 1.00 0.00 O ATOM 133 CB ASN A 8 -3.758 -5.940 -5.730 1.00 0.00 C ATOM 134 CG ASN A 8 -5.102 -5.566 -6.309 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.643 -4.549 -5.903 1.00 0.00 O ATOM 136 ND2 ASN A 8 -5.673 -6.347 -7.249 1.00 0.00 N ATOM 137 H ASN A 8 -2.173 -5.273 -3.647 1.00 0.00 H ATOM 138 HA ASN A 8 -4.963 -6.338 -3.981 1.00 0.00 H ATOM 139 HB2 ASN A 8 -3.136 -5.037 -5.811 1.00 0.00 H ATOM 140 HB3 ASN A 8 -3.261 -6.721 -6.324 1.00 0.00 H ATOM 141 HD21 ASN A 8 -5.227 -7.179 -7.578 1.00 0.00 H ATOM 142 HD22 ASN A 8 -6.560 -6.086 -7.626 1.00 0.00 H ATOM 143 N LYS A 9 -2.914 -8.053 -2.747 1.00 0.00 N ATOM 144 CA LYS A 9 -2.466 -9.389 -2.360 1.00 0.00 C ATOM 145 C LYS A 9 -3.090 -9.690 -1.017 1.00 0.00 C ATOM 146 O LYS A 9 -3.918 -10.583 -0.934 1.00 0.00 O ATOM 147 CB LYS A 9 -0.910 -9.462 -2.262 1.00 0.00 C ATOM 148 CG LYS A 9 -0.290 -10.509 -3.220 1.00 0.00 C ATOM 149 CD LYS A 9 -0.342 -10.035 -4.695 1.00 0.00 C ATOM 150 CE LYS A 9 -0.206 -11.208 -5.699 1.00 0.00 C ATOM 151 NZ LYS A 9 -1.461 -11.982 -5.837 1.00 1.00 N ATOM 152 H LYS A 9 -2.813 -7.335 -2.066 1.00 0.00 H ATOM 153 HA LYS A 9 -2.835 -10.145 -3.070 1.00 0.00 H ATOM 154 HB2 LYS A 9 -0.461 -8.479 -2.471 1.00 0.00 H ATOM 155 HB3 LYS A 9 -0.616 -9.767 -1.248 1.00 0.00 H ATOM 156 HG2 LYS A 9 0.769 -10.660 -2.955 1.00 0.00 H ATOM 157 HG3 LYS A 9 -0.811 -11.464 -3.061 1.00 0.00 H ATOM 158 HD2 LYS A 9 -1.268 -9.489 -4.910 1.00 0.00 H ATOM 159 HD3 LYS A 9 0.496 -9.338 -4.848 1.00 0.00 H ATOM 160 HE2 LYS A 9 0.037 -10.786 -6.687 1.00 0.00 H ATOM 161 HE3 LYS A 9 0.617 -11.871 -5.392 1.00 0.00 H ATOM 162 HZ1 LYS A 9 -1.338 -12.753 -6.585 1.00 0.00 H ATOM 163 HZ2 LYS A 9 -2.280 -11.356 -6.161 1.00 0.00 H ATOM 164 HZ3 LYS A 9 -1.770 -12.479 -4.930 1.00 0.00 H ATOM 165 N CYS A 10 -2.693 -8.943 0.039 1.00 0.00 N ATOM 166 CA CYS A 10 -3.234 -9.166 1.376 1.00 0.00 C ATOM 167 C CYS A 10 -4.314 -8.178 1.760 1.00 0.00 C ATOM 168 O CYS A 10 -4.759 -8.226 2.895 1.00 0.00 O ATOM 169 CB CYS A 10 -2.055 -9.067 2.369 1.00 0.00 C ATOM 170 SG CYS A 10 -1.535 -7.329 2.451 1.00 -1.00 S ATOM 171 H CYS A 10 -2.019 -8.213 -0.073 1.00 0.00 H ATOM 172 HA CYS A 10 -3.643 -10.184 1.455 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.368 -9.399 3.365 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.213 -9.691 2.032 1.00 0.00 H ATOM 175 N CYS A 11 -4.759 -7.282 0.852 1.00 0.00 N ATOM 176 CA CYS A 11 -5.877 -6.397 1.162 1.00 0.00 C ATOM 177 C CYS A 11 -5.680 -5.549 2.399 1.00 0.00 C ATOM 178 O CYS A 11 -6.662 -5.280 3.071 1.00 0.00 O ATOM 179 CB CYS A 11 -7.183 -7.225 1.247 1.00 0.00 C ATOM 180 SG CYS A 11 -7.320 -8.300 -0.218 1.00 0.00 S ATOM 181 H CYS A 11 -4.391 -7.239 -0.075 1.00 0.00 H ATOM 182 HA CYS A 11 -6.003 -5.686 0.333 1.00 0.00 H ATOM 183 HB2 CYS A 11 -7.197 -7.853 2.151 1.00 0.00 H ATOM 184 HB3 CYS A 11 -8.056 -6.557 1.268 1.00 0.00 H ATOM 185 HG CYS A 11 -6.579 -8.945 0.002 1.00 0.00 H ATOM 186 N LEU A 12 -4.436 -5.112 2.703 1.00 0.00 N ATOM 187 CA LEU A 12 -4.205 -4.218 3.834 1.00 0.00 C ATOM 188 C LEU A 12 -4.077 -2.810 3.300 1.00 0.00 C ATOM 189 O LEU A 12 -3.495 -2.634 2.241 1.00 0.00 O ATOM 190 CB LEU A 12 -2.865 -4.572 4.534 1.00 0.00 C ATOM 191 CG LEU A 12 -2.663 -3.847 5.896 1.00 0.00 C ATOM 192 CD1 LEU A 12 -3.321 -4.633 7.059 1.00 0.00 C ATOM 193 CD2 LEU A 12 -1.160 -3.639 6.202 1.00 0.00 C ATOM 194 H LEU A 12 -3.651 -5.343 2.136 1.00 0.00 H ATOM 195 HA LEU A 12 -5.018 -4.318 4.568 1.00 0.00 H ATOM 196 HB2 LEU A 12 -2.818 -5.654 4.686 1.00 0.00 H ATOM 197 HB3 LEU A 12 -2.046 -4.316 3.852 1.00 0.00 H ATOM 198 HG LEU A 12 -3.096 -2.837 5.861 1.00 0.00 H ATOM 199 HD11 LEU A 12 -4.386 -4.818 6.847 1.00 0.00 H ATOM 200 HD12 LEU A 12 -3.243 -4.049 7.990 1.00 0.00 H ATOM 201 HD13 LEU A 12 -2.816 -5.601 7.209 1.00 0.00 H ATOM 202 HD21 LEU A 12 -0.725 -2.996 5.424 1.00 0.00 H ATOM 203 HD22 LEU A 12 -0.637 -4.606 6.217 1.00 0.00 H ATOM 204 HD23 LEU A 12 -1.023 -3.143 7.177 1.00 0.00 H ATOM 205 N ASN A 13 -4.593 -1.801 4.035 1.00 0.00 N ATOM 206 CA ASN A 13 -4.350 -0.414 3.656 1.00 0.00 C ATOM 207 C ASN A 13 -2.944 -0.029 4.075 1.00 0.00 C ATOM 208 O ASN A 13 -2.669 -0.121 5.261 1.00 0.00 O ATOM 209 CB ASN A 13 -5.473 0.463 4.263 1.00 0.00 C ATOM 210 CG ASN A 13 -5.157 1.925 4.117 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.510 2.523 3.114 1.00 0.00 O ATOM 212 ND2 ASN A 13 -4.490 2.509 5.132 1.00 0.00 N ATOM 213 H ASN A 13 -5.100 -1.993 4.878 1.00 0.00 H ATOM 214 HA ASN A 13 -4.460 -0.297 2.573 1.00 0.00 H ATOM 215 HB2 ASN A 13 -6.419 0.241 3.747 1.00 0.00 H ATOM 216 HB3 ASN A 13 -5.619 0.230 5.327 1.00 0.00 H ATOM 217 HD21 ASN A 13 -4.224 1.961 5.918 1.00 0.00 H ATOM 218 HD22 ASN A 13 -4.269 3.482 5.123 1.00 0.00 H ATOM 219 N ASN A 14 -2.051 0.383 3.133 1.00 0.00 N ATOM 220 CA ASN A 14 -0.657 0.696 3.464 1.00 0.00 C ATOM 221 C ASN A 14 -0.377 2.148 3.192 1.00 0.00 C ATOM 222 O ASN A 14 -1.025 2.701 2.319 1.00 0.00 O ATOM 223 CB ASN A 14 0.346 -0.071 2.571 1.00 0.00 C ATOM 224 CG ASN A 14 0.128 -1.543 2.768 1.00 0.00 C ATOM 225 OD1 ASN A 14 0.824 -2.140 3.573 1.00 0.00 O ATOM 226 ND2 ASN A 14 -0.841 -2.145 2.055 1.00 0.00 N ATOM 227 H ASN A 14 -2.312 0.495 2.176 1.00 0.00 H ATOM 228 HA ASN A 14 -0.436 0.440 4.510 1.00 0.00 H ATOM 229 HB2 ASN A 14 0.209 0.203 1.514 1.00 0.00 H ATOM 230 HB3 ASN A 14 1.378 0.188 2.861 1.00 0.00 H ATOM 231 HD21 ASN A 14 -1.392 -1.649 1.384 1.00 0.00 H ATOM 232 HD22 ASN A 14 -1.015 -3.110 2.208 1.00 0.00 H ATOM 233 N PHE A 15 0.583 2.779 3.904 1.00 0.00 N ATOM 234 CA PHE A 15 0.800 4.202 3.686 1.00 0.00 C ATOM 235 C PHE A 15 1.164 4.517 2.259 1.00 0.00 C ATOM 236 O PHE A 15 1.699 3.668 1.563 1.00 0.00 O ATOM 237 CB PHE A 15 1.903 4.817 4.588 1.00 0.00 C ATOM 238 CG PHE A 15 1.377 5.076 6.003 1.00 0.00 C ATOM 239 CD1 PHE A 15 0.385 6.042 6.197 1.00 0.00 C ATOM 240 CD2 PHE A 15 1.878 4.379 7.106 1.00 0.00 C ATOM 241 CE1 PHE A 15 -0.154 6.259 7.464 1.00 0.00 C ATOM 242 CE2 PHE A 15 1.358 4.613 8.379 1.00 0.00 C ATOM 243 CZ PHE A 15 0.324 5.535 8.558 1.00 0.00 C ATOM 244 H PHE A 15 1.119 2.304 4.604 1.00 0.00 H ATOM 245 HA PHE A 15 -0.162 4.685 3.907 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.787 4.160 4.588 1.00 0.00 H ATOM 247 HB3 PHE A 15 2.215 5.796 4.195 1.00 0.00 H ATOM 248 HD1 PHE A 15 0.028 6.633 5.359 1.00 0.00 H ATOM 249 HD2 PHE A 15 2.676 3.657 6.978 1.00 0.00 H ATOM 250 HE1 PHE A 15 -0.944 6.989 7.601 1.00 0.00 H ATOM 251 HE2 PHE A 15 1.755 4.083 9.237 1.00 0.00 H ATOM 252 HZ PHE A 15 -0.102 5.692 9.542 1.00 0.00 H ATOM 253 N ARG A 16 0.874 5.766 1.831 1.00 0.00 N ATOM 254 CA ARG A 16 1.265 6.199 0.496 1.00 0.00 C ATOM 255 C ARG A 16 2.764 6.297 0.434 1.00 0.00 C ATOM 256 O ARG A 16 3.342 5.850 -0.543 1.00 0.00 O ATOM 257 CB ARG A 16 0.608 7.562 0.148 1.00 0.00 C ATOM 258 CG ARG A 16 1.109 8.207 -1.170 1.00 0.00 C ATOM 259 CD ARG A 16 0.811 7.378 -2.444 1.00 0.00 C ATOM 260 NE ARG A 16 -0.623 7.199 -2.677 1.00 0.00 N ATOM 261 CZ ARG A 16 -1.396 8.069 -3.293 1.00 1.00 C ATOM 262 NH1 ARG A 16 -0.991 9.250 -3.699 1.00 0.00 N ATOM 263 NH2 ARG A 16 -2.643 7.735 -3.526 1.00 0.00 N ATOM 264 H ARG A 16 0.424 6.429 2.433 1.00 0.00 H ATOM 265 HA ARG A 16 0.923 5.443 -0.217 1.00 0.00 H ATOM 266 HB2 ARG A 16 -0.483 7.436 0.103 1.00 0.00 H ATOM 267 HB3 ARG A 16 0.843 8.262 0.959 1.00 0.00 H ATOM 268 HG2 ARG A 16 0.619 9.186 -1.260 1.00 0.00 H ATOM 269 HG3 ARG A 16 2.194 8.379 -1.104 1.00 0.00 H ATOM 270 HD2 ARG A 16 1.311 7.817 -3.319 1.00 0.00 H ATOM 271 HD3 ARG A 16 1.268 6.385 -2.330 1.00 0.00 H ATOM 272 HE ARG A 16 -1.027 6.299 -2.382 1.00 0.00 H ATOM 273 HH11 ARG A 16 -0.034 9.581 -3.537 1.00 0.00 H ATOM 274 HH12 ARG A 16 -1.637 9.887 -4.186 1.00 0.00 H ATOM 275 HH21 ARG A 16 -3.017 6.822 -3.225 1.00 0.00 H ATOM 276 HH22 ARG A 16 -3.281 8.374 -4.023 1.00 0.00 H ATOM 277 N LYS A 17 3.406 6.884 1.467 1.00 0.00 N ATOM 278 CA LYS A 17 4.855 7.032 1.426 1.00 0.00 C ATOM 279 C LYS A 17 5.512 5.729 1.056 1.00 0.00 C ATOM 280 O LYS A 17 6.506 5.764 0.351 1.00 0.00 O ATOM 281 CB LYS A 17 5.444 7.575 2.760 1.00 0.00 C ATOM 282 CG LYS A 17 5.649 6.476 3.834 1.00 0.00 C ATOM 283 CD LYS A 17 5.894 7.090 5.238 1.00 0.00 C ATOM 284 CE LYS A 17 6.348 6.019 6.267 1.00 0.00 C ATOM 285 NZ LYS A 17 7.822 5.946 6.387 1.00 1.00 N ATOM 286 H LYS A 17 2.901 7.254 2.248 1.00 0.00 H ATOM 287 HA LYS A 17 5.066 7.772 0.636 1.00 0.00 H ATOM 288 HB2 LYS A 17 6.437 8.004 2.551 1.00 0.00 H ATOM 289 HB3 LYS A 17 4.801 8.380 3.152 1.00 0.00 H ATOM 290 HG2 LYS A 17 4.752 5.842 3.896 1.00 0.00 H ATOM 291 HG3 LYS A 17 6.514 5.851 3.555 1.00 0.00 H ATOM 292 HD2 LYS A 17 6.646 7.893 5.188 1.00 0.00 H ATOM 293 HD3 LYS A 17 4.937 7.526 5.570 1.00 0.00 H ATOM 294 HE2 LYS A 17 5.955 6.286 7.261 1.00 0.00 H ATOM 295 HE3 LYS A 17 5.955 5.030 5.985 1.00 0.00 H ATOM 296 HZ1 LYS A 17 8.207 6.873 6.794 1.00 0.00 H ATOM 297 HZ2 LYS A 17 8.287 5.787 5.423 1.00 0.00 H ATOM 298 HZ3 LYS A 17 8.117 5.145 7.052 1.00 0.00 H ATOM 299 N ARG A 18 4.973 4.576 1.507 1.00 0.00 N ATOM 300 CA ARG A 18 5.620 3.318 1.175 1.00 0.00 C ATOM 301 C ARG A 18 5.251 2.909 -0.228 1.00 0.00 C ATOM 302 O ARG A 18 4.068 2.839 -0.519 1.00 0.00 O ATOM 303 CB ARG A 18 5.217 2.157 2.119 1.00 0.00 C ATOM 304 CG ARG A 18 5.754 2.311 3.571 1.00 0.00 C ATOM 305 CD ARG A 18 6.869 1.275 3.888 1.00 0.00 C ATOM 306 NE ARG A 18 8.058 1.492 3.062 1.00 0.00 N ATOM 307 CZ ARG A 18 8.956 0.570 2.789 1.00 1.00 C ATOM 308 NH1 ARG A 18 8.938 -0.641 3.291 1.00 0.00 N ATOM 309 NH2 ARG A 18 9.932 0.882 1.968 1.00 0.00 N ATOM 310 H ARG A 18 4.126 4.546 2.039 1.00 0.00 H ATOM 311 HA ARG A 18 6.705 3.458 1.263 1.00 0.00 H ATOM 312 HB2 ARG A 18 4.119 2.064 2.125 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.630 1.240 1.679 1.00 0.00 H ATOM 314 HG2 ARG A 18 6.117 3.334 3.753 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.920 2.128 4.268 1.00 0.00 H ATOM 316 HD2 ARG A 18 7.174 1.366 4.942 1.00 0.00 H ATOM 317 HD3 ARG A 18 6.402 0.293 3.726 1.00 0.00 H ATOM 318 HE ARG A 18 8.178 2.429 2.660 1.00 0.00 H ATOM 319 HH11 ARG A 18 8.225 -0.936 3.967 1.00 0.00 H ATOM 320 HH12 ARG A 18 9.661 -1.328 3.031 1.00 0.00 H ATOM 321 HH21 ARG A 18 9.995 1.819 1.542 1.00 0.00 H ATOM 322 HH22 ARG A 18 10.662 0.195 1.724 1.00 0.00 H ATOM 323 N LEU A 19 6.250 2.625 -1.094 1.00 0.00 N ATOM 324 CA LEU A 19 5.938 2.023 -2.388 1.00 0.00 C ATOM 325 C LEU A 19 5.498 0.594 -2.179 1.00 0.00 C ATOM 326 O LEU A 19 4.621 0.164 -2.912 1.00 0.00 O ATOM 327 CB LEU A 19 7.157 2.036 -3.363 1.00 0.00 C ATOM 328 CG LEU A 19 7.139 3.255 -4.332 1.00 0.00 C ATOM 329 CD1 LEU A 19 8.559 3.505 -4.908 1.00 0.00 C ATOM 330 CD2 LEU A 19 6.152 3.022 -5.511 1.00 0.00 C ATOM 331 H LEU A 19 7.212 2.733 -0.833 1.00 0.00 H ATOM 332 HA LEU A 19 5.092 2.566 -2.834 1.00 0.00 H ATOM 333 HB2 LEU A 19 8.101 2.009 -2.796 1.00 0.00 H ATOM 334 HB3 LEU A 19 7.139 1.126 -3.977 1.00 0.00 H ATOM 335 HG LEU A 19 6.842 4.160 -3.776 1.00 0.00 H ATOM 336 HD11 LEU A 19 8.920 2.605 -5.433 1.00 0.00 H ATOM 337 HD12 LEU A 19 9.261 3.754 -4.097 1.00 0.00 H ATOM 338 HD13 LEU A 19 8.537 4.349 -5.618 1.00 0.00 H ATOM 339 HD21 LEU A 19 6.144 3.900 -6.176 1.00 0.00 H ATOM 340 HD22 LEU A 19 5.124 2.857 -5.155 1.00 0.00 H ATOM 341 HD23 LEU A 19 6.462 2.144 -6.100 1.00 0.00 H ATOM 342 N LYS A 20 6.097 -0.145 -1.212 1.00 0.00 N ATOM 343 CA LYS A 20 5.743 -1.551 -1.026 1.00 0.00 C ATOM 344 C LYS A 20 4.823 -1.776 0.139 1.00 0.00 C ATOM 345 O LYS A 20 4.701 -0.928 1.006 1.00 0.00 O ATOM 346 CB LYS A 20 7.010 -2.438 -0.921 1.00 0.00 C ATOM 347 CG LYS A 20 7.603 -2.651 -2.336 1.00 0.00 C ATOM 348 CD LYS A 20 8.982 -3.356 -2.292 1.00 0.00 C ATOM 349 CE LYS A 20 9.435 -3.708 -3.729 1.00 0.00 C ATOM 350 NZ LYS A 20 10.819 -4.224 -3.752 1.00 1.00 N ATOM 351 H LYS A 20 6.792 0.245 -0.607 1.00 0.00 H ATOM 352 HA LYS A 20 5.169 -1.903 -1.888 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.743 -1.961 -0.251 1.00 0.00 H ATOM 354 HB3 LYS A 20 6.758 -3.427 -0.506 1.00 0.00 H ATOM 355 HG2 LYS A 20 6.907 -3.277 -2.918 1.00 0.00 H ATOM 356 HG3 LYS A 20 7.708 -1.675 -2.838 1.00 0.00 H ATOM 357 HD2 LYS A 20 9.719 -2.683 -1.825 1.00 0.00 H ATOM 358 HD3 LYS A 20 8.911 -4.279 -1.695 1.00 0.00 H ATOM 359 HE2 LYS A 20 8.764 -4.478 -4.139 1.00 0.00 H ATOM 360 HE3 LYS A 20 9.384 -2.808 -4.364 1.00 0.00 H ATOM 361 HZ1 LYS A 20 11.510 -3.462 -3.415 1.00 0.00 H ATOM 362 HZ2 LYS A 20 11.095 -4.515 -4.758 1.00 0.00 H ATOM 363 HZ3 LYS A 20 10.920 -5.087 -3.107 1.00 0.00 H ATOM 364 N CYS A 21 4.143 -2.942 0.143 1.00 0.00 N ATOM 365 CA CYS A 21 3.200 -3.222 1.213 1.00 0.00 C ATOM 366 C CYS A 21 3.995 -3.510 2.455 1.00 0.00 C ATOM 367 O CYS A 21 5.142 -3.910 2.319 1.00 0.00 O ATOM 368 CB CYS A 21 2.357 -4.459 0.830 1.00 0.00 C ATOM 369 SG CYS A 21 1.159 -4.875 2.115 1.00 -1.00 S ATOM 370 H CYS A 21 4.276 -3.637 -0.568 1.00 0.00 H ATOM 371 HA CYS A 21 2.531 -2.357 1.353 1.00 0.00 H ATOM 372 HB2 CYS A 21 1.822 -4.279 -0.116 1.00 0.00 H ATOM 373 HB3 CYS A 21 3.011 -5.331 0.727 1.00 0.00 H ATOM 374 N PHE A 22 3.403 -3.316 3.654 1.00 0.00 N ATOM 375 CA PHE A 22 4.096 -3.631 4.896 1.00 0.00 C ATOM 376 C PHE A 22 3.434 -4.826 5.530 1.00 0.00 C ATOM 377 O PHE A 22 3.127 -4.822 6.710 1.00 0.00 O ATOM 378 CB PHE A 22 4.093 -2.340 5.742 1.00 0.00 C ATOM 379 CG PHE A 22 5.005 -2.429 6.974 1.00 0.00 C ATOM 380 CD1 PHE A 22 6.390 -2.558 6.816 1.00 0.00 C ATOM 381 CD2 PHE A 22 4.466 -2.365 8.258 1.00 0.00 C ATOM 382 CE1 PHE A 22 7.220 -2.672 7.933 1.00 0.00 C ATOM 383 CE2 PHE A 22 5.299 -2.450 9.380 1.00 0.00 C ATOM 384 CZ PHE A 22 6.674 -2.618 9.217 1.00 0.00 C ATOM 385 H PHE A 22 2.467 -2.975 3.727 1.00 0.00 H ATOM 386 HA PHE A 22 5.144 -3.918 4.714 1.00 0.00 H ATOM 387 HB2 PHE A 22 4.479 -1.558 5.072 1.00 0.00 H ATOM 388 HB3 PHE A 22 3.064 -2.077 6.023 1.00 0.00 H ATOM 389 HD1 PHE A 22 6.833 -2.569 5.825 1.00 0.00 H ATOM 390 HD2 PHE A 22 3.398 -2.249 8.404 1.00 0.00 H ATOM 391 HE1 PHE A 22 8.287 -2.803 7.805 1.00 0.00 H ATOM 392 HE2 PHE A 22 4.874 -2.384 10.373 1.00 0.00 H ATOM 393 HZ PHE A 22 7.316 -2.701 10.086 1.00 0.00 H ATOM 394 N ARG A 23 3.249 -5.871 4.692 1.00 0.00 N ATOM 395 CA ARG A 23 2.786 -7.173 5.163 1.00 0.00 C ATOM 396 C ARG A 23 3.368 -8.233 4.248 1.00 0.00 C ATOM 397 O ARG A 23 4.096 -9.083 4.732 1.00 0.00 O ATOM 398 CB ARG A 23 1.234 -7.314 5.232 1.00 0.00 C ATOM 399 CG ARG A 23 0.772 -8.063 6.518 1.00 0.00 C ATOM 400 CD ARG A 23 -0.402 -9.055 6.306 1.00 0.00 C ATOM 401 NE ARG A 23 -1.689 -8.445 5.986 1.00 0.00 N ATOM 402 CZ ARG A 23 -2.808 -9.135 5.909 1.00 1.00 C ATOM 403 NH1 ARG A 23 -2.856 -10.437 6.074 1.00 0.00 N ATOM 404 NH2 ARG A 23 -3.933 -8.508 5.659 1.00 0.00 N ATOM 405 H ARG A 23 3.490 -5.773 3.732 1.00 0.00 H ATOM 406 HA ARG A 23 3.235 -7.302 6.161 1.00 0.00 H ATOM 407 HB2 ARG A 23 0.793 -6.307 5.223 1.00 0.00 H ATOM 408 HB3 ARG A 23 0.859 -7.844 4.345 1.00 0.00 H ATOM 409 HG2 ARG A 23 1.590 -8.695 6.895 1.00 0.00 H ATOM 410 HG3 ARG A 23 0.513 -7.333 7.301 1.00 0.00 H ATOM 411 HD2 ARG A 23 -0.112 -9.770 5.520 1.00 0.00 H ATOM 412 HD3 ARG A 23 -0.510 -9.583 7.267 1.00 0.00 H ATOM 413 HE ARG A 23 -1.706 -7.429 5.836 1.00 0.00 H ATOM 414 HH11 ARG A 23 -2.013 -10.991 6.260 1.00 0.00 H ATOM 415 HH12 ARG A 23 -3.751 -10.943 6.014 1.00 0.00 H ATOM 416 HH21 ARG A 23 -3.957 -7.490 5.531 1.00 0.00 H ATOM 417 HH22 ARG A 23 -4.825 -9.020 5.588 1.00 0.00 H ATOM 418 N CYS A 24 3.056 -8.174 2.930 1.00 0.00 N ATOM 419 CA CYS A 24 3.620 -9.110 1.959 1.00 0.00 C ATOM 420 C CYS A 24 4.686 -8.495 1.075 1.00 0.00 C ATOM 421 O CYS A 24 5.096 -9.156 0.134 1.00 0.00 O ATOM 422 CB CYS A 24 2.457 -9.670 1.099 1.00 0.00 C ATOM 423 SG CYS A 24 1.651 -8.335 0.160 1.00 -1.00 S ATOM 424 H CYS A 24 2.440 -7.468 2.580 1.00 0.00 H ATOM 425 HA CYS A 24 4.077 -9.973 2.470 1.00 0.00 H ATOM 426 HB2 CYS A 24 2.827 -10.427 0.393 1.00 0.00 H ATOM 427 HB3 CYS A 24 1.702 -10.131 1.755 1.00 0.00 H ATOM 428 N GLY A 25 5.168 -7.256 1.331 1.00 0.00 N ATOM 429 CA GLY A 25 6.252 -6.694 0.529 1.00 0.00 C ATOM 430 C GLY A 25 5.957 -6.530 -0.941 1.00 0.00 C ATOM 431 O GLY A 25 6.904 -6.294 -1.673 1.00 0.00 O ATOM 432 H GLY A 25 4.843 -6.707 2.097 1.00 0.00 H ATOM 433 HA2 GLY A 25 6.534 -5.704 0.921 1.00 0.00 H ATOM 434 HA3 GLY A 25 7.129 -7.354 0.633 1.00 0.00 H ATOM 435 N ALA A 26 4.692 -6.651 -1.404 1.00 0.00 N ATOM 436 CA ALA A 26 4.430 -6.612 -2.835 1.00 0.00 C ATOM 437 C ALA A 26 4.144 -5.194 -3.288 1.00 0.00 C ATOM 438 O ALA A 26 3.349 -4.524 -2.647 1.00 0.00 O ATOM 439 CB ALA A 26 3.251 -7.568 -3.131 1.00 0.00 C ATOM 440 H ALA A 26 3.914 -6.792 -0.796 1.00 0.00 H ATOM 441 HA ALA A 26 5.294 -7.045 -3.363 1.00 0.00 H ATOM 442 HB1 ALA A 26 2.289 -7.104 -2.859 1.00 0.00 H ATOM 443 HB2 ALA A 26 3.256 -7.824 -4.196 1.00 0.00 H ATOM 444 HB3 ALA A 26 3.373 -8.504 -2.563 1.00 0.00 H ATOM 445 N ASP A 27 4.793 -4.717 -4.375 1.00 0.00 N ATOM 446 CA ASP A 27 4.613 -3.331 -4.811 1.00 0.00 C ATOM 447 C ASP A 27 3.240 -3.051 -5.373 1.00 0.00 C ATOM 448 O ASP A 27 2.547 -3.986 -5.740 1.00 0.00 O ATOM 449 CB ASP A 27 5.693 -2.919 -5.850 1.00 0.00 C ATOM 450 CG ASP A 27 5.929 -1.432 -5.880 1.00 0.00 C ATOM 451 OD1 ASP A 27 5.094 -0.697 -6.473 1.00 -0.50 O ATOM 452 OD2 ASP A 27 6.963 -0.990 -5.313 1.00 -0.50 O ATOM 453 H ASP A 27 5.446 -5.294 -4.865 1.00 0.00 H ATOM 454 HA ASP A 27 4.753 -2.690 -3.936 1.00 0.00 H ATOM 455 HB2 ASP A 27 6.654 -3.389 -5.591 1.00 0.00 H ATOM 456 HB3 ASP A 27 5.400 -3.259 -6.853 1.00 0.00 H ATOM 457 N LYS A 28 2.851 -1.755 -5.444 1.00 0.00 N ATOM 458 CA LYS A 28 1.580 -1.379 -6.058 1.00 0.00 C ATOM 459 C LYS A 28 1.320 -2.154 -7.322 1.00 0.00 C ATOM 460 O LYS A 28 0.230 -2.692 -7.434 1.00 0.00 O ATOM 461 CB LYS A 28 1.552 0.132 -6.432 1.00 0.00 C ATOM 462 CG LYS A 28 0.989 0.996 -5.273 1.00 0.00 C ATOM 463 CD LYS A 28 -0.558 0.844 -5.153 1.00 0.00 C ATOM 464 CE LYS A 28 -1.330 2.172 -5.355 1.00 0.00 C ATOM 465 NZ LYS A 28 -1.217 2.723 -6.724 1.00 1.00 N ATOM 466 H LYS A 28 3.423 -1.025 -5.063 1.00 0.00 H ATOM 467 HA LYS A 28 0.772 -1.612 -5.347 1.00 0.00 H ATOM 468 HB2 LYS A 28 2.569 0.469 -6.689 1.00 0.00 H ATOM 469 HB3 LYS A 28 0.923 0.305 -7.321 1.00 0.00 H ATOM 470 HG2 LYS A 28 1.480 0.697 -4.333 1.00 0.00 H ATOM 471 HG3 LYS A 28 1.251 2.049 -5.458 1.00 0.00 H ATOM 472 HD2 LYS A 28 -0.951 0.107 -5.871 1.00 0.00 H ATOM 473 HD3 LYS A 28 -0.792 0.468 -4.148 1.00 0.00 H ATOM 474 HE2 LYS A 28 -2.396 1.968 -5.174 1.00 0.00 H ATOM 475 HE3 LYS A 28 -0.989 2.920 -4.621 1.00 0.00 H ATOM 476 HZ1 LYS A 28 -0.241 3.135 -6.935 1.00 0.00 H ATOM 477 HZ2 LYS A 28 -1.924 3.533 -6.845 1.00 0.00 H ATOM 478 HZ3 LYS A 28 -1.441 1.977 -7.473 1.00 0.00 H ATOM 479 N PHE A 29 2.289 -2.213 -8.266 1.00 0.00 N ATOM 480 CA PHE A 29 2.046 -2.897 -9.536 1.00 0.00 C ATOM 481 C PHE A 29 2.812 -4.198 -9.565 1.00 0.00 C ATOM 482 O PHE A 29 3.593 -4.454 -10.467 1.00 0.00 O ATOM 483 CB PHE A 29 2.355 -1.938 -10.717 1.00 0.00 C ATOM 484 CG PHE A 29 1.249 -2.068 -11.770 1.00 0.00 C ATOM 485 CD1 PHE A 29 1.292 -3.092 -12.719 1.00 0.00 C ATOM 486 CD2 PHE A 29 0.178 -1.167 -11.779 1.00 0.00 C ATOM 487 CE1 PHE A 29 0.275 -3.214 -13.668 1.00 0.00 C ATOM 488 CE2 PHE A 29 -0.833 -1.280 -12.732 1.00 0.00 C ATOM 489 CZ PHE A 29 -0.788 -2.308 -13.680 1.00 0.00 C ATOM 490 H PHE A 29 3.187 -1.792 -8.122 1.00 0.00 H ATOM 491 HA PHE A 29 0.983 -3.172 -9.624 1.00 0.00 H ATOM 492 HB2 PHE A 29 2.353 -0.903 -10.342 1.00 0.00 H ATOM 493 HB3 PHE A 29 3.348 -2.119 -11.157 1.00 0.00 H ATOM 494 HD1 PHE A 29 2.114 -3.799 -12.720 1.00 0.00 H ATOM 495 HD2 PHE A 29 0.122 -0.372 -11.044 1.00 0.00 H ATOM 496 HE1 PHE A 29 0.307 -4.015 -14.400 1.00 0.00 H ATOM 497 HE2 PHE A 29 -1.657 -0.576 -12.738 1.00 0.00 H ATOM 498 HZ PHE A 29 -1.576 -2.400 -14.417 1.00 0.00 H ATOM 499 N ASP A 30 2.560 -5.035 -8.536 1.00 0.00 N ATOM 500 CA ASP A 30 3.223 -6.330 -8.438 1.00 0.00 C ATOM 501 C ASP A 30 2.399 -7.219 -7.504 1.00 0.00 C ATOM 502 O ASP A 30 1.969 -8.303 -7.896 1.00 0.00 O ATOM 503 CB ASP A 30 4.676 -6.150 -7.942 1.00 0.00 C ATOM 504 CG ASP A 30 5.331 -7.481 -7.675 1.00 0.00 C ATOM 505 OD1 ASP A 30 5.631 -8.201 -8.666 1.00 -0.50 O ATOM 506 OD2 ASP A 30 5.551 -7.813 -6.477 1.00 -0.50 O ATOM 507 H ASP A 30 1.904 -4.772 -7.824 1.00 0.00 H ATOM 508 HA ASP A 30 3.251 -6.796 -9.433 1.00 0.00 H ATOM 509 HB2 ASP A 30 5.267 -5.593 -8.686 1.00 0.00 H ATOM 510 HB3 ASP A 30 4.646 -5.559 -7.020 1.00 0.00 H HETATM 511 N NH2 A 31 2.131 -6.784 -6.252 1.00 0.00 N HETATM 512 HN1 NH2 A 31 1.511 -7.316 -5.677 1.00 0.00 H HETATM 513 HN2 NH2 A 31 2.514 -5.938 -5.881 1.00 0.00 H TER 514 NH2 A 31 HETATM 515 C1 AQN A 32 2.687 1.096 7.825 1.00 0.00 C HETATM 516 C2 AQN A 32 1.524 1.359 8.557 1.00 0.00 C HETATM 517 C3 AQN A 32 0.212 1.613 7.851 1.00 0.00 C HETATM 518 O3 AQN A 32 0.175 1.617 6.630 1.00 0.00 O HETATM 519 C4 AQN A 32 -1.041 1.873 8.658 1.00 0.00 C HETATM 520 C5 AQN A 32 -2.234 2.200 8.015 1.00 0.00 C HETATM 521 C6 AQN A 32 -3.425 2.298 8.742 1.00 0.00 C HETATM 522 C7 AQN A 32 -3.414 2.124 10.126 1.00 0.00 C HETATM 523 C8 AQN A 32 -2.203 1.905 10.785 1.00 0.00 C HETATM 524 C9 AQN A 32 -1.018 1.791 10.051 1.00 0.00 C HETATM 525 C10 AQN A 32 0.301 1.585 10.754 1.00 0.00 C HETATM 526 O10 AQN A 32 0.333 1.577 11.974 1.00 0.00 O HETATM 527 C11 AQN A 32 1.570 1.404 9.951 1.00 0.00 C HETATM 528 C12 AQN A 32 2.800 1.276 10.602 1.00 0.00 C HETATM 529 C13 AQN A 32 3.974 1.117 9.865 1.00 0.00 C HETATM 530 C14 AQN A 32 3.922 1.037 8.474 1.00 0.00 C HETATM 531 S15 AQN A 32 5.439 0.925 7.555 1.00 0.00 S HETATM 532 OS1 AQN A 32 5.146 0.421 6.233 1.00 0.00 O HETATM 533 OS2 AQN A 32 5.804 2.376 7.440 1.00 -1.00 O HETATM 534 OS3 AQN A 32 6.430 0.252 8.373 1.00 0.00 O HETATM 535 H1 AQN A 32 2.638 0.955 6.748 1.00 0.00 H HETATM 536 H5 AQN A 32 -2.212 2.379 6.949 1.00 0.00 H HETATM 537 H6 AQN A 32 -4.370 2.508 8.259 1.00 0.00 H HETATM 538 H7 AQN A 32 -4.342 2.167 10.685 1.00 0.00 H HETATM 539 H8 AQN A 32 -2.198 1.835 11.867 1.00 0.00 H HETATM 540 H12 AQN A 32 2.849 1.301 11.683 1.00 0.00 H HETATM 541 H13 AQN A 32 4.923 1.051 10.381 1.00 0.00 H HETATM 542 ZN ZN A 33 0.133 -6.654 0.893 1.00 2.00 ZN