HETATM 1 C ACE A 0 -0.026 15.665 1.240 1.00 0.00 C HETATM 2 O ACE A 0 -1.183 15.637 1.687 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.006 16.566 1.874 1.00 0.00 C HETATM 4 H1 ACE A 0 1.380 17.279 1.139 1.00 0.00 H HETATM 5 H2 ACE A 0 1.840 15.971 2.247 1.00 0.00 H HETATM 6 H3 ACE A 0 0.549 17.098 2.708 1.00 0.00 H ATOM 7 N LYS A 1 0.416 14.939 0.199 1.00 0.00 N ATOM 8 CA LYS A 1 -0.488 14.030 -0.498 1.00 0.00 C ATOM 9 C LYS A 1 -0.379 12.674 0.156 1.00 0.00 C ATOM 10 O LYS A 1 0.531 11.937 -0.186 1.00 0.00 O ATOM 11 CB LYS A 1 -0.148 13.963 -2.010 1.00 0.00 C ATOM 12 CG LYS A 1 -1.112 12.994 -2.753 1.00 0.00 C ATOM 13 CD LYS A 1 -1.352 13.400 -4.232 1.00 0.00 C ATOM 14 CE LYS A 1 -0.091 13.249 -5.120 1.00 0.00 C ATOM 15 NZ LYS A 1 -0.341 13.818 -6.464 1.00 1.00 N ATOM 16 H LYS A 1 1.375 14.972 -0.085 1.00 0.00 H ATOM 17 HA LYS A 1 -1.522 14.411 -0.440 1.00 0.00 H ATOM 18 HB2 LYS A 1 -0.256 14.988 -2.403 1.00 0.00 H ATOM 19 HB3 LYS A 1 0.896 13.644 -2.162 1.00 0.00 H ATOM 20 HG2 LYS A 1 -0.719 11.966 -2.707 1.00 0.00 H ATOM 21 HG3 LYS A 1 -2.099 13.004 -2.261 1.00 0.00 H ATOM 22 HD2 LYS A 1 -2.142 12.755 -4.647 1.00 0.00 H ATOM 23 HD3 LYS A 1 -1.710 14.442 -4.263 1.00 0.00 H ATOM 24 HE2 LYS A 1 0.766 13.775 -4.670 1.00 0.00 H ATOM 25 HE3 LYS A 1 0.160 12.180 -5.213 1.00 0.00 H ATOM 26 HZ1 LYS A 1 0.500 13.625 -7.117 1.00 0.00 H ATOM 27 HZ2 LYS A 1 -0.472 14.891 -6.413 1.00 0.00 H ATOM 28 HZ3 LYS A 1 -1.223 13.395 -6.923 1.00 0.00 H ATOM 29 N PHE A 2 -1.298 12.336 1.089 1.00 0.00 N ATOM 30 CA PHE A 2 -1.274 11.020 1.718 1.00 0.00 C ATOM 31 C PHE A 2 -2.273 10.177 0.965 1.00 0.00 C ATOM 32 O PHE A 2 -3.269 9.762 1.535 1.00 0.00 O ATOM 33 CB PHE A 2 -1.622 11.098 3.229 1.00 0.00 C ATOM 34 CG PHE A 2 -0.488 11.678 4.091 1.00 0.00 C ATOM 35 CD1 PHE A 2 0.035 12.951 3.833 1.00 0.00 C ATOM 36 CD2 PHE A 2 0.034 10.946 5.163 1.00 0.00 C ATOM 37 CE1 PHE A 2 1.070 13.472 4.613 1.00 0.00 C ATOM 38 CE2 PHE A 2 1.018 11.494 5.988 1.00 0.00 C ATOM 39 CZ PHE A 2 1.562 12.743 5.697 1.00 0.00 C ATOM 40 H PHE A 2 -2.052 12.952 1.329 1.00 0.00 H ATOM 41 HA PHE A 2 -0.284 10.543 1.647 1.00 0.00 H ATOM 42 HB2 PHE A 2 -2.530 11.699 3.384 1.00 0.00 H ATOM 43 HB3 PHE A 2 -1.832 10.074 3.575 1.00 0.00 H ATOM 44 HD1 PHE A 2 -0.358 13.554 3.029 1.00 0.00 H ATOM 45 HD2 PHE A 2 -0.323 9.944 5.375 1.00 0.00 H ATOM 46 HE1 PHE A 2 1.488 14.444 4.381 1.00 0.00 H ATOM 47 HE2 PHE A 2 1.360 10.947 6.860 1.00 0.00 H ATOM 48 HZ PHE A 2 2.362 13.150 6.309 1.00 0.00 H ATOM 49 N GLU A 3 -2.016 9.909 -0.336 1.00 0.00 N ATOM 50 CA GLU A 3 -2.909 9.048 -1.110 1.00 0.00 C ATOM 51 C GLU A 3 -2.607 7.611 -0.749 1.00 0.00 C ATOM 52 O GLU A 3 -2.015 6.893 -1.539 1.00 0.00 O ATOM 53 CB GLU A 3 -2.711 9.323 -2.624 1.00 0.00 C ATOM 54 CG GLU A 3 -3.611 8.440 -3.531 1.00 0.00 C ATOM 55 CD GLU A 3 -2.808 7.973 -4.720 1.00 0.00 C ATOM 56 OE1 GLU A 3 -2.541 8.814 -5.620 1.00 -0.50 O ATOM 57 OE2 GLU A 3 -2.427 6.769 -4.760 1.00 -0.50 O ATOM 58 H GLU A 3 -1.185 10.255 -0.770 1.00 0.00 H ATOM 59 HA GLU A 3 -3.961 9.275 -0.876 1.00 0.00 H ATOM 60 HB2 GLU A 3 -2.920 10.385 -2.829 1.00 0.00 H ATOM 61 HB3 GLU A 3 -1.657 9.140 -2.881 1.00 0.00 H ATOM 62 HG2 GLU A 3 -3.995 7.558 -2.997 1.00 0.00 H ATOM 63 HG3 GLU A 3 -4.480 9.026 -3.869 1.00 0.00 H ATOM 64 N ASP A 4 -3.013 7.178 0.464 1.00 0.00 N ATOM 65 CA ASP A 4 -2.789 5.795 0.872 1.00 0.00 C ATOM 66 C ASP A 4 -3.390 4.833 -0.123 1.00 0.00 C ATOM 67 O ASP A 4 -4.213 5.258 -0.917 1.00 0.00 O ATOM 68 CB ASP A 4 -3.388 5.547 2.282 1.00 0.00 C ATOM 69 CG ASP A 4 -4.800 6.052 2.384 1.00 0.00 C ATOM 70 OD1 ASP A 4 -5.694 5.471 1.714 1.00 -0.50 O ATOM 71 OD2 ASP A 4 -5.024 7.037 3.137 1.00 -0.50 O ATOM 72 H ASP A 4 -3.468 7.806 1.096 1.00 0.00 H ATOM 73 HA ASP A 4 -1.706 5.610 0.909 1.00 0.00 H ATOM 74 HB2 ASP A 4 -3.403 4.476 2.521 1.00 0.00 H ATOM 75 HB3 ASP A 4 -2.760 6.059 3.029 1.00 0.00 H ATOM 76 N TRP A 5 -2.981 3.541 -0.094 1.00 0.00 N ATOM 77 CA TRP A 5 -3.489 2.577 -1.065 1.00 0.00 C ATOM 78 C TRP A 5 -3.743 1.249 -0.400 1.00 0.00 C ATOM 79 O TRP A 5 -3.203 1.034 0.675 1.00 0.00 O ATOM 80 CB TRP A 5 -2.489 2.423 -2.234 1.00 0.00 C ATOM 81 CG TRP A 5 -1.079 2.160 -1.777 1.00 0.00 C ATOM 82 CD1 TRP A 5 -0.153 3.093 -1.504 1.00 0.00 C ATOM 83 CD2 TRP A 5 -0.422 0.822 -1.556 1.00 0.00 C ATOM 84 NE1 TRP A 5 0.968 2.515 -1.161 1.00 0.00 N ATOM 85 CE2 TRP A 5 0.866 1.171 -1.200 1.00 0.00 C ATOM 86 CE3 TRP A 5 -0.825 -0.510 -1.644 1.00 0.00 C ATOM 87 CZ2 TRP A 5 1.844 0.210 -0.952 1.00 0.00 C ATOM 88 CZ3 TRP A 5 0.159 -1.481 -1.435 1.00 0.00 C ATOM 89 CH2 TRP A 5 1.477 -1.129 -1.122 1.00 0.00 C ATOM 90 H TRP A 5 -2.299 3.223 0.567 1.00 0.00 H ATOM 91 HA TRP A 5 -4.455 2.913 -1.473 1.00 0.00 H ATOM 92 HB2 TRP A 5 -2.811 1.618 -2.910 1.00 0.00 H ATOM 93 HB3 TRP A 5 -2.492 3.369 -2.797 1.00 0.00 H ATOM 94 HD1 TRP A 5 -0.329 4.165 -1.571 1.00 0.00 H ATOM 95 HE1 TRP A 5 1.827 3.024 -0.906 1.00 0.00 H ATOM 96 HE3 TRP A 5 -1.847 -0.768 -1.872 1.00 0.00 H ATOM 97 HZ2 TRP A 5 2.847 0.470 -0.644 1.00 0.00 H ATOM 98 HZ3 TRP A 5 -0.083 -2.532 -1.517 1.00 0.00 H ATOM 99 HH2 TRP A 5 2.222 -1.906 -1.015 1.00 0.00 H ATOM 100 N LEU A 6 -4.565 0.376 -1.035 1.00 0.00 N ATOM 101 CA LEU A 6 -4.898 -0.914 -0.437 1.00 0.00 C ATOM 102 C LEU A 6 -4.162 -1.983 -1.204 1.00 0.00 C ATOM 103 O LEU A 6 -4.153 -1.909 -2.421 1.00 0.00 O ATOM 104 CB LEU A 6 -6.436 -1.181 -0.489 1.00 0.00 C ATOM 105 CG LEU A 6 -6.977 -1.797 0.837 1.00 0.00 C ATOM 106 CD1 LEU A 6 -7.328 -0.678 1.855 1.00 0.00 C ATOM 107 CD2 LEU A 6 -8.247 -2.656 0.577 1.00 0.00 C ATOM 108 H LEU A 6 -4.957 0.581 -1.935 1.00 0.00 H ATOM 109 HA LEU A 6 -4.563 -0.922 0.606 1.00 0.00 H ATOM 110 HB2 LEU A 6 -6.973 -0.234 -0.673 1.00 0.00 H ATOM 111 HB3 LEU A 6 -6.644 -1.848 -1.343 1.00 0.00 H ATOM 112 HG LEU A 6 -6.222 -2.482 1.262 1.00 0.00 H ATOM 113 HD11 LEU A 6 -6.499 0.035 1.961 1.00 0.00 H ATOM 114 HD12 LEU A 6 -7.551 -1.126 2.833 1.00 0.00 H ATOM 115 HD13 LEU A 6 -8.212 -0.117 1.517 1.00 0.00 H ATOM 116 HD21 LEU A 6 -8.022 -3.474 -0.133 1.00 0.00 H ATOM 117 HD22 LEU A 6 -9.054 -2.027 0.160 1.00 0.00 H ATOM 118 HD23 LEU A 6 -8.591 -3.103 1.526 1.00 0.00 H ATOM 119 N CYS A 7 -3.538 -2.975 -0.527 1.00 0.00 N ATOM 120 CA CYS A 7 -2.765 -3.968 -1.270 1.00 0.00 C ATOM 121 C CYS A 7 -3.716 -4.935 -1.924 1.00 0.00 C ATOM 122 O CYS A 7 -4.817 -5.079 -1.420 1.00 0.00 O ATOM 123 CB CYS A 7 -1.805 -4.703 -0.301 1.00 0.00 C ATOM 124 SG CYS A 7 -0.535 -5.696 -1.127 1.00 -1.00 S ATOM 125 H CYS A 7 -3.587 -3.051 0.470 1.00 0.00 H ATOM 126 HA CYS A 7 -2.169 -3.455 -2.038 1.00 0.00 H ATOM 127 HB2 CYS A 7 -1.256 -3.981 0.317 1.00 0.00 H ATOM 128 HB3 CYS A 7 -2.376 -5.378 0.341 1.00 0.00 H ATOM 129 N ASN A 8 -3.311 -5.585 -3.041 1.00 0.00 N ATOM 130 CA ASN A 8 -4.169 -6.580 -3.690 1.00 0.00 C ATOM 131 C ASN A 8 -3.805 -7.999 -3.309 1.00 0.00 C ATOM 132 O ASN A 8 -4.661 -8.857 -3.461 1.00 0.00 O ATOM 133 CB ASN A 8 -4.146 -6.408 -5.236 1.00 0.00 C ATOM 134 CG ASN A 8 -5.399 -5.719 -5.723 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.811 -4.743 -5.119 1.00 0.00 O ATOM 136 ND2 ASN A 8 -6.032 -6.196 -6.818 1.00 0.00 N ATOM 137 H ASN A 8 -2.400 -5.412 -3.424 1.00 0.00 H ATOM 138 HA ASN A 8 -5.212 -6.468 -3.354 1.00 0.00 H ATOM 139 HB2 ASN A 8 -3.288 -5.802 -5.559 1.00 0.00 H ATOM 140 HB3 ASN A 8 -4.047 -7.396 -5.704 1.00 0.00 H ATOM 141 HD21 ASN A 8 -5.690 -6.988 -7.322 1.00 0.00 H ATOM 142 HD22 ASN A 8 -6.870 -5.745 -7.132 1.00 0.00 H ATOM 143 N LYS A 9 -2.582 -8.286 -2.814 1.00 0.00 N ATOM 144 CA LYS A 9 -2.258 -9.646 -2.389 1.00 0.00 C ATOM 145 C LYS A 9 -2.897 -9.890 -1.040 1.00 0.00 C ATOM 146 O LYS A 9 -3.789 -10.719 -0.958 1.00 0.00 O ATOM 147 CB LYS A 9 -0.723 -9.883 -2.288 1.00 0.00 C ATOM 148 CG LYS A 9 -0.061 -10.375 -3.602 1.00 0.00 C ATOM 149 CD LYS A 9 -0.411 -9.506 -4.841 1.00 0.00 C ATOM 150 CE LYS A 9 0.634 -9.655 -5.978 1.00 0.00 C ATOM 151 NZ LYS A 9 0.871 -11.050 -6.411 1.00 1.00 N ATOM 152 H LYS A 9 -1.899 -7.576 -2.676 1.00 0.00 H ATOM 153 HA LYS A 9 -2.672 -10.388 -3.092 1.00 0.00 H ATOM 154 HB2 LYS A 9 -0.207 -8.967 -1.967 1.00 0.00 H ATOM 155 HB3 LYS A 9 -0.530 -10.657 -1.528 1.00 0.00 H ATOM 156 HG2 LYS A 9 1.029 -10.360 -3.442 1.00 0.00 H ATOM 157 HG3 LYS A 9 -0.373 -11.415 -3.794 1.00 0.00 H ATOM 158 HD2 LYS A 9 -1.406 -9.790 -5.225 1.00 0.00 H ATOM 159 HD3 LYS A 9 -0.437 -8.441 -4.553 1.00 0.00 H ATOM 160 HE2 LYS A 9 0.286 -9.070 -6.846 1.00 0.00 H ATOM 161 HE3 LYS A 9 1.590 -9.230 -5.638 1.00 0.00 H ATOM 162 HZ1 LYS A 9 1.569 -11.063 -7.236 1.00 0.00 H ATOM 163 HZ2 LYS A 9 -0.047 -11.516 -6.735 1.00 0.00 H ATOM 164 HZ3 LYS A 9 1.317 -11.655 -5.636 1.00 0.00 H ATOM 165 N CYS A 10 -2.440 -9.181 0.018 1.00 0.00 N ATOM 166 CA CYS A 10 -2.941 -9.438 1.368 1.00 0.00 C ATOM 167 C CYS A 10 -4.149 -8.607 1.733 1.00 0.00 C ATOM 168 O CYS A 10 -4.670 -8.826 2.815 1.00 0.00 O ATOM 169 CB CYS A 10 -1.821 -9.165 2.400 1.00 0.00 C ATOM 170 SG CYS A 10 -1.529 -7.369 2.409 1.00 -1.00 S ATOM 171 H CYS A 10 -1.749 -8.468 -0.112 1.00 0.00 H ATOM 172 HA CYS A 10 -3.217 -10.501 1.462 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.128 -9.494 3.404 1.00 0.00 H ATOM 174 HB3 CYS A 10 -0.907 -9.710 2.122 1.00 0.00 H ATOM 175 N CYS A 11 -4.619 -7.664 0.886 1.00 0.00 N ATOM 176 CA CYS A 11 -5.830 -6.922 1.222 1.00 0.00 C ATOM 177 C CYS A 11 -5.699 -6.141 2.513 1.00 0.00 C ATOM 178 O CYS A 11 -6.641 -6.125 3.291 1.00 0.00 O ATOM 179 CB CYS A 11 -7.064 -7.861 1.236 1.00 0.00 C ATOM 180 SG CYS A 11 -7.052 -8.892 -0.268 1.00 0.00 S ATOM 181 H CYS A 11 -4.183 -7.476 0.005 1.00 0.00 H ATOM 182 HA CYS A 11 -6.027 -6.178 0.437 1.00 0.00 H ATOM 183 HB2 CYS A 11 -7.065 -8.515 2.117 1.00 0.00 H ATOM 184 HB3 CYS A 11 -7.990 -7.265 1.239 1.00 0.00 H ATOM 185 HG CYS A 11 -6.274 -9.484 -0.029 1.00 0.00 H ATOM 186 N LEU A 12 -4.536 -5.485 2.731 1.00 0.00 N ATOM 187 CA LEU A 12 -4.314 -4.670 3.922 1.00 0.00 C ATOM 188 C LEU A 12 -4.079 -3.245 3.484 1.00 0.00 C ATOM 189 O LEU A 12 -3.489 -3.048 2.432 1.00 0.00 O ATOM 190 CB LEU A 12 -3.016 -5.143 4.625 1.00 0.00 C ATOM 191 CG LEU A 12 -2.842 -4.537 6.049 1.00 0.00 C ATOM 192 CD1 LEU A 12 -3.530 -5.432 7.116 1.00 0.00 C ATOM 193 CD2 LEU A 12 -1.346 -4.290 6.355 1.00 0.00 C ATOM 194 H LEU A 12 -3.799 -5.527 2.067 1.00 0.00 H ATOM 195 HA LEU A 12 -5.161 -4.748 4.620 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.033 -6.242 4.690 1.00 0.00 H ATOM 197 HB3 LEU A 12 -2.163 -4.860 3.990 1.00 0.00 H ATOM 198 HG LEU A 12 -3.296 -3.541 6.129 1.00 0.00 H ATOM 199 HD11 LEU A 12 -3.372 -5.017 8.123 1.00 0.00 H ATOM 200 HD12 LEU A 12 -3.138 -6.458 7.091 1.00 0.00 H ATOM 201 HD13 LEU A 12 -4.613 -5.472 6.923 1.00 0.00 H ATOM 202 HD21 LEU A 12 -0.763 -5.190 6.133 1.00 0.00 H ATOM 203 HD22 LEU A 12 -1.204 -4.006 7.409 1.00 0.00 H ATOM 204 HD23 LEU A 12 -0.966 -3.476 5.720 1.00 0.00 H ATOM 205 N ASN A 13 -4.510 -2.244 4.282 1.00 0.00 N ATOM 206 CA ASN A 13 -4.232 -0.859 3.923 1.00 0.00 C ATOM 207 C ASN A 13 -2.763 -0.540 4.074 1.00 0.00 C ATOM 208 O ASN A 13 -2.096 -1.213 4.843 1.00 0.00 O ATOM 209 CB ASN A 13 -5.144 0.067 4.766 1.00 0.00 C ATOM 210 CG ASN A 13 -5.243 1.482 4.256 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.380 1.939 3.524 1.00 0.00 O ATOM 212 ND2 ASN A 13 -6.315 2.211 4.633 1.00 0.00 N ATOM 213 H ASN A 13 -5.026 -2.432 5.120 1.00 0.00 H ATOM 214 HA ASN A 13 -4.496 -0.732 2.870 1.00 0.00 H ATOM 215 HB2 ASN A 13 -6.158 -0.360 4.762 1.00 0.00 H ATOM 216 HB3 ASN A 13 -4.769 0.051 5.797 1.00 0.00 H ATOM 217 HD21 ASN A 13 -7.019 1.827 5.232 1.00 0.00 H ATOM 218 HD22 ASN A 13 -6.412 3.151 4.302 1.00 0.00 H ATOM 219 N ASN A 14 -2.257 0.474 3.329 1.00 0.00 N ATOM 220 CA ASN A 14 -0.827 0.790 3.320 1.00 0.00 C ATOM 221 C ASN A 14 -0.677 2.286 3.188 1.00 0.00 C ATOM 222 O ASN A 14 -1.613 2.880 2.685 1.00 0.00 O ATOM 223 CB ASN A 14 -0.212 0.136 2.061 1.00 0.00 C ATOM 224 CG ASN A 14 -0.794 -1.246 1.893 1.00 0.00 C ATOM 225 OD1 ASN A 14 -1.586 -1.431 0.982 1.00 0.00 O ATOM 226 ND2 ASN A 14 -0.435 -2.211 2.763 1.00 0.00 N ATOM 227 H ASN A 14 -2.844 1.004 2.711 1.00 0.00 H ATOM 228 HA ASN A 14 -0.328 0.422 4.228 1.00 0.00 H ATOM 229 HB2 ASN A 14 -0.498 0.749 1.191 1.00 0.00 H ATOM 230 HB3 ASN A 14 0.890 0.118 2.119 1.00 0.00 H ATOM 231 HD21 ASN A 14 0.215 -2.005 3.492 1.00 0.00 H ATOM 232 HD22 ASN A 14 -0.825 -3.129 2.701 1.00 0.00 H ATOM 233 N PHE A 15 0.448 2.916 3.599 1.00 0.00 N ATOM 234 CA PHE A 15 0.549 4.366 3.443 1.00 0.00 C ATOM 235 C PHE A 15 1.029 4.733 2.060 1.00 0.00 C ATOM 236 O PHE A 15 1.583 3.894 1.369 1.00 0.00 O ATOM 237 CB PHE A 15 1.513 5.023 4.468 1.00 0.00 C ATOM 238 CG PHE A 15 0.905 5.104 5.874 1.00 0.00 C ATOM 239 CD1 PHE A 15 -0.214 5.910 6.099 1.00 0.00 C ATOM 240 CD2 PHE A 15 1.467 4.399 6.942 1.00 0.00 C ATOM 241 CE1 PHE A 15 -0.803 5.964 7.366 1.00 0.00 C ATOM 242 CE2 PHE A 15 0.900 4.476 8.214 1.00 0.00 C ATOM 243 CZ PHE A 15 -0.251 5.241 8.422 1.00 0.00 C ATOM 244 H PHE A 15 1.222 2.410 3.980 1.00 0.00 H ATOM 245 HA PHE A 15 -0.447 4.813 3.582 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.467 4.482 4.472 1.00 0.00 H ATOM 247 HB3 PHE A 15 1.723 6.061 4.173 1.00 0.00 H ATOM 248 HD1 PHE A 15 -0.633 6.506 5.296 1.00 0.00 H ATOM 249 HD2 PHE A 15 2.354 3.796 6.790 1.00 0.00 H ATOM 250 HE1 PHE A 15 -1.687 6.570 7.526 1.00 0.00 H ATOM 251 HE2 PHE A 15 1.349 3.946 9.045 1.00 0.00 H ATOM 252 HZ PHE A 15 -0.711 5.275 9.404 1.00 0.00 H ATOM 253 N ARG A 16 0.820 6.010 1.660 1.00 0.00 N ATOM 254 CA ARG A 16 1.330 6.474 0.374 1.00 0.00 C ATOM 255 C ARG A 16 2.829 6.372 0.352 1.00 0.00 C ATOM 256 O ARG A 16 3.378 5.776 -0.559 1.00 0.00 O ATOM 257 CB ARG A 16 0.942 7.956 0.125 1.00 0.00 C ATOM 258 CG ARG A 16 1.670 8.600 -1.085 1.00 0.00 C ATOM 259 CD ARG A 16 1.382 7.884 -2.428 1.00 0.00 C ATOM 260 NE ARG A 16 2.028 8.596 -3.531 1.00 0.00 N ATOM 261 CZ ARG A 16 1.849 8.286 -4.796 1.00 1.00 C ATOM 262 NH1 ARG A 16 1.066 7.311 -5.195 1.00 0.00 N ATOM 263 NH2 ARG A 16 2.489 8.983 -5.703 1.00 0.00 N ATOM 264 H ARG A 16 0.334 6.664 2.243 1.00 0.00 H ATOM 265 HA ARG A 16 0.902 5.844 -0.417 1.00 0.00 H ATOM 266 HB2 ARG A 16 -0.144 8.011 -0.012 1.00 0.00 H ATOM 267 HB3 ARG A 16 1.197 8.572 1.000 1.00 0.00 H ATOM 268 HG2 ARG A 16 1.317 9.640 -1.170 1.00 0.00 H ATOM 269 HG3 ARG A 16 2.756 8.629 -0.904 1.00 0.00 H ATOM 270 HD2 ARG A 16 1.774 6.856 -2.409 1.00 0.00 H ATOM 271 HD3 ARG A 16 0.292 7.865 -2.554 1.00 0.00 H ATOM 272 HE ARG A 16 2.655 9.378 -3.288 1.00 0.00 H ATOM 273 HH11 ARG A 16 0.549 6.726 -4.528 1.00 0.00 H ATOM 274 HH12 ARG A 16 0.955 7.105 -6.198 1.00 0.00 H ATOM 275 HH21 ARG A 16 3.120 9.754 -5.437 1.00 0.00 H ATOM 276 HH22 ARG A 16 2.383 8.773 -6.706 1.00 0.00 H ATOM 277 N LYS A 17 3.481 6.977 1.368 1.00 0.00 N ATOM 278 CA LYS A 17 4.936 7.024 1.391 1.00 0.00 C ATOM 279 C LYS A 17 5.484 5.646 1.135 1.00 0.00 C ATOM 280 O LYS A 17 6.485 5.521 0.449 1.00 0.00 O ATOM 281 CB LYS A 17 5.527 7.535 2.735 1.00 0.00 C ATOM 282 CG LYS A 17 4.989 8.934 3.157 1.00 0.00 C ATOM 283 CD LYS A 17 3.783 8.882 4.144 1.00 0.00 C ATOM 284 CE LYS A 17 4.081 9.510 5.529 1.00 0.00 C ATOM 285 NZ LYS A 17 5.094 8.761 6.308 1.00 1.00 N ATOM 286 H LYS A 17 2.967 7.419 2.096 1.00 0.00 H ATOM 287 HA LYS A 17 5.267 7.695 0.579 1.00 0.00 H ATOM 288 HB2 LYS A 17 5.373 6.795 3.534 1.00 0.00 H ATOM 289 HB3 LYS A 17 6.615 7.617 2.572 1.00 0.00 H ATOM 290 HG2 LYS A 17 5.811 9.498 3.623 1.00 0.00 H ATOM 291 HG3 LYS A 17 4.704 9.487 2.248 1.00 0.00 H ATOM 292 HD2 LYS A 17 2.939 9.441 3.705 1.00 0.00 H ATOM 293 HD3 LYS A 17 3.445 7.853 4.334 1.00 0.00 H ATOM 294 HE2 LYS A 17 4.389 10.562 5.407 1.00 0.00 H ATOM 295 HE3 LYS A 17 3.144 9.492 6.106 1.00 0.00 H ATOM 296 HZ1 LYS A 17 6.082 8.799 5.875 1.00 0.00 H ATOM 297 HZ2 LYS A 17 4.817 7.723 6.422 1.00 0.00 H ATOM 298 HZ3 LYS A 17 5.173 9.189 7.298 1.00 0.00 H ATOM 299 N ARG A 18 4.820 4.604 1.678 1.00 0.00 N ATOM 300 CA ARG A 18 5.298 3.252 1.444 1.00 0.00 C ATOM 301 C ARG A 18 4.924 2.857 0.037 1.00 0.00 C ATOM 302 O ARG A 18 3.745 2.703 -0.230 1.00 0.00 O ATOM 303 CB ARG A 18 4.706 2.268 2.488 1.00 0.00 C ATOM 304 CG ARG A 18 5.094 2.620 3.952 1.00 0.00 C ATOM 305 CD ARG A 18 6.602 2.542 4.336 1.00 0.00 C ATOM 306 NE ARG A 18 6.923 1.303 5.041 1.00 0.00 N ATOM 307 CZ ARG A 18 7.276 0.175 4.467 1.00 1.00 C ATOM 308 NH1 ARG A 18 7.396 0.016 3.169 1.00 0.00 N ATOM 309 NH2 ARG A 18 7.532 -0.856 5.236 1.00 0.00 N ATOM 310 H ARG A 18 3.979 4.734 2.204 1.00 0.00 H ATOM 311 HA ARG A 18 6.390 3.232 1.550 1.00 0.00 H ATOM 312 HB2 ARG A 18 3.608 2.296 2.406 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.018 1.244 2.257 1.00 0.00 H ATOM 314 HG2 ARG A 18 4.750 3.644 4.154 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.533 1.947 4.619 1.00 0.00 H ATOM 316 HD2 ARG A 18 7.320 2.784 3.545 1.00 0.00 H ATOM 317 HD3 ARG A 18 6.755 3.329 5.093 1.00 0.00 H ATOM 318 HE ARG A 18 6.899 1.344 6.067 1.00 0.00 H ATOM 319 HH11 ARG A 18 7.246 0.789 2.516 1.00 0.00 H ATOM 320 HH12 ARG A 18 7.666 -0.896 2.775 1.00 0.00 H ATOM 321 HH21 ARG A 18 7.458 -0.788 6.262 1.00 0.00 H ATOM 322 HH22 ARG A 18 7.821 -1.760 4.833 1.00 0.00 H ATOM 323 N LEU A 19 5.914 2.684 -0.869 1.00 0.00 N ATOM 324 CA LEU A 19 5.630 2.098 -2.177 1.00 0.00 C ATOM 325 C LEU A 19 5.326 0.626 -2.011 1.00 0.00 C ATOM 326 O LEU A 19 4.534 0.115 -2.786 1.00 0.00 O ATOM 327 CB LEU A 19 6.855 2.242 -3.127 1.00 0.00 C ATOM 328 CG LEU A 19 6.912 3.608 -3.867 1.00 0.00 C ATOM 329 CD1 LEU A 19 6.775 4.825 -2.914 1.00 0.00 C ATOM 330 CD2 LEU A 19 8.236 3.717 -4.668 1.00 0.00 C ATOM 331 H LEU A 19 6.870 2.868 -0.632 1.00 0.00 H ATOM 332 HA LEU A 19 4.750 2.574 -2.641 1.00 0.00 H ATOM 333 HB2 LEU A 19 7.795 2.051 -2.586 1.00 0.00 H ATOM 334 HB3 LEU A 19 6.774 1.472 -3.909 1.00 0.00 H ATOM 335 HG LEU A 19 6.074 3.640 -4.584 1.00 0.00 H ATOM 336 HD11 LEU A 19 5.792 4.839 -2.419 1.00 0.00 H ATOM 337 HD12 LEU A 19 6.875 5.758 -3.494 1.00 0.00 H ATOM 338 HD13 LEU A 19 7.564 4.802 -2.147 1.00 0.00 H ATOM 339 HD21 LEU A 19 8.197 4.587 -5.343 1.00 0.00 H ATOM 340 HD22 LEU A 19 8.398 2.812 -5.273 1.00 0.00 H ATOM 341 HD23 LEU A 19 9.087 3.840 -3.980 1.00 0.00 H ATOM 342 N LYS A 20 5.947 -0.057 -1.020 1.00 0.00 N ATOM 343 CA LYS A 20 5.730 -1.493 -0.848 1.00 0.00 C ATOM 344 C LYS A 20 4.755 -1.766 0.265 1.00 0.00 C ATOM 345 O LYS A 20 4.508 -0.884 1.071 1.00 0.00 O ATOM 346 CB LYS A 20 7.085 -2.175 -0.543 1.00 0.00 C ATOM 347 CG LYS A 20 7.925 -2.275 -1.843 1.00 0.00 C ATOM 348 CD LYS A 20 9.442 -2.329 -1.520 1.00 0.00 C ATOM 349 CE LYS A 20 10.235 -3.025 -2.655 1.00 0.00 C ATOM 350 NZ LYS A 20 10.264 -4.491 -2.449 1.00 1.00 N ATOM 351 H LYS A 20 6.561 0.399 -0.373 1.00 0.00 H ATOM 352 HA LYS A 20 5.324 -1.943 -1.763 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.617 -1.604 0.234 1.00 0.00 H ATOM 354 HB3 LYS A 20 6.927 -3.195 -0.159 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.592 -3.173 -2.388 1.00 0.00 H ATOM 356 HG3 LYS A 20 7.747 -1.400 -2.491 1.00 0.00 H ATOM 357 HD2 LYS A 20 9.791 -1.289 -1.404 1.00 0.00 H ATOM 358 HD3 LYS A 20 9.631 -2.866 -0.578 1.00 0.00 H ATOM 359 HE2 LYS A 20 9.781 -2.777 -3.629 1.00 0.00 H ATOM 360 HE3 LYS A 20 11.272 -2.655 -2.655 1.00 0.00 H ATOM 361 HZ1 LYS A 20 9.305 -4.901 -2.164 1.00 0.00 H ATOM 362 HZ2 LYS A 20 10.967 -4.743 -1.666 1.00 0.00 H ATOM 363 HZ3 LYS A 20 10.586 -4.997 -3.347 1.00 0.00 H ATOM 364 N CYS A 21 4.189 -2.991 0.305 1.00 0.00 N ATOM 365 CA CYS A 21 3.242 -3.321 1.361 1.00 0.00 C ATOM 366 C CYS A 21 4.018 -3.648 2.612 1.00 0.00 C ATOM 367 O CYS A 21 5.161 -4.060 2.479 1.00 0.00 O ATOM 368 CB CYS A 21 2.405 -4.539 0.907 1.00 0.00 C ATOM 369 SG CYS A 21 1.265 -5.001 2.232 1.00 -1.00 S ATOM 370 H CYS A 21 4.430 -3.701 -0.361 1.00 0.00 H ATOM 371 HA CYS A 21 2.555 -2.478 1.547 1.00 0.00 H ATOM 372 HB2 CYS A 21 1.818 -4.293 0.011 1.00 0.00 H ATOM 373 HB3 CYS A 21 3.057 -5.395 0.688 1.00 0.00 H ATOM 374 N PHE A 22 3.414 -3.479 3.814 1.00 0.00 N ATOM 375 CA PHE A 22 4.105 -3.816 5.060 1.00 0.00 C ATOM 376 C PHE A 22 3.538 -5.093 5.626 1.00 0.00 C ATOM 377 O PHE A 22 3.178 -5.142 6.790 1.00 0.00 O ATOM 378 CB PHE A 22 3.961 -2.605 6.015 1.00 0.00 C ATOM 379 CG PHE A 22 4.728 -2.738 7.344 1.00 0.00 C ATOM 380 CD1 PHE A 22 6.096 -3.030 7.365 1.00 0.00 C ATOM 381 CD2 PHE A 22 4.064 -2.538 8.560 1.00 0.00 C ATOM 382 CE1 PHE A 22 6.802 -3.053 8.569 1.00 0.00 C ATOM 383 CE2 PHE A 22 4.766 -2.561 9.765 1.00 0.00 C ATOM 384 CZ PHE A 22 6.142 -2.807 9.772 1.00 0.00 C ATOM 385 H PHE A 22 2.476 -3.135 3.884 1.00 0.00 H ATOM 386 HA PHE A 22 5.170 -4.001 4.872 1.00 0.00 H ATOM 387 HB2 PHE A 22 4.354 -1.717 5.495 1.00 0.00 H ATOM 388 HB3 PHE A 22 2.890 -2.438 6.211 1.00 0.00 H ATOM 389 HD1 PHE A 22 6.637 -3.239 6.452 1.00 0.00 H ATOM 390 HD2 PHE A 22 2.994 -2.356 8.582 1.00 0.00 H ATOM 391 HE1 PHE A 22 7.867 -3.261 8.567 1.00 0.00 H ATOM 392 HE2 PHE A 22 4.247 -2.386 10.701 1.00 0.00 H ATOM 393 HZ PHE A 22 6.692 -2.808 10.706 1.00 0.00 H ATOM 394 N ARG A 23 3.482 -6.137 4.769 1.00 0.00 N ATOM 395 CA ARG A 23 2.968 -7.442 5.178 1.00 0.00 C ATOM 396 C ARG A 23 3.446 -8.484 4.183 1.00 0.00 C ATOM 397 O ARG A 23 4.109 -9.409 4.614 1.00 0.00 O ATOM 398 CB ARG A 23 1.426 -7.378 5.325 1.00 0.00 C ATOM 399 CG ARG A 23 0.818 -8.605 6.054 1.00 0.00 C ATOM 400 CD ARG A 23 -0.677 -8.354 6.394 1.00 0.00 C ATOM 401 NE ARG A 23 -0.827 -7.800 7.744 1.00 0.00 N ATOM 402 CZ ARG A 23 -0.966 -8.523 8.834 1.00 1.00 C ATOM 403 NH1 ARG A 23 -0.885 -9.831 8.863 1.00 0.00 N ATOM 404 NH2 ARG A 23 -1.198 -7.902 9.967 1.00 0.00 N ATOM 405 H ARG A 23 3.796 -6.020 3.834 1.00 0.00 H ATOM 406 HA ARG A 23 3.401 -7.680 6.166 1.00 0.00 H ATOM 407 HB2 ARG A 23 1.197 -6.488 5.926 1.00 0.00 H ATOM 408 HB3 ARG A 23 0.968 -7.262 4.333 1.00 0.00 H ATOM 409 HG2 ARG A 23 0.918 -9.488 5.403 1.00 0.00 H ATOM 410 HG3 ARG A 23 1.354 -8.799 6.996 1.00 0.00 H ATOM 411 HD2 ARG A 23 -1.092 -7.617 5.686 1.00 0.00 H ATOM 412 HD3 ARG A 23 -1.287 -9.255 6.242 1.00 0.00 H ATOM 413 HE ARG A 23 -0.870 -6.777 7.826 1.00 0.00 H ATOM 414 HH11 ARG A 23 -0.665 -10.380 8.024 1.00 0.00 H ATOM 415 HH12 ARG A 23 -1.020 -10.346 9.745 1.00 0.00 H ATOM 416 HH21 ARG A 23 -1.277 -6.875 10.009 1.00 0.00 H ATOM 417 HH22 ARG A 23 -1.316 -8.427 10.846 1.00 0.00 H ATOM 418 N CYS A 24 3.145 -8.339 2.863 1.00 0.00 N ATOM 419 CA CYS A 24 3.696 -9.236 1.843 1.00 0.00 C ATOM 420 C CYS A 24 4.765 -8.587 0.979 1.00 0.00 C ATOM 421 O CYS A 24 5.260 -9.253 0.086 1.00 0.00 O ATOM 422 CB CYS A 24 2.537 -9.763 0.958 1.00 0.00 C ATOM 423 SG CYS A 24 1.661 -8.383 0.143 1.00 -1.00 S ATOM 424 H CYS A 24 2.567 -7.587 2.549 1.00 0.00 H ATOM 425 HA CYS A 24 4.164 -10.117 2.308 1.00 0.00 H ATOM 426 HB2 CYS A 24 2.928 -10.459 0.198 1.00 0.00 H ATOM 427 HB3 CYS A 24 1.808 -10.303 1.582 1.00 0.00 H ATOM 428 N GLY A 25 5.160 -7.311 1.197 1.00 0.00 N ATOM 429 CA GLY A 25 6.215 -6.712 0.383 1.00 0.00 C ATOM 430 C GLY A 25 5.885 -6.568 -1.082 1.00 0.00 C ATOM 431 O GLY A 25 6.789 -6.218 -1.823 1.00 0.00 O ATOM 432 H GLY A 25 4.771 -6.747 1.918 1.00 0.00 H ATOM 433 HA2 GLY A 25 6.447 -5.702 0.757 1.00 0.00 H ATOM 434 HA3 GLY A 25 7.127 -7.322 0.478 1.00 0.00 H ATOM 435 N ALA A 26 4.634 -6.821 -1.529 1.00 0.00 N ATOM 436 CA ALA A 26 4.336 -6.717 -2.949 1.00 0.00 C ATOM 437 C ALA A 26 3.955 -5.291 -3.254 1.00 0.00 C ATOM 438 O ALA A 26 3.130 -4.746 -2.539 1.00 0.00 O ATOM 439 CB ALA A 26 3.167 -7.645 -3.349 1.00 0.00 C ATOM 440 H ALA A 26 3.881 -7.044 -0.914 1.00 0.00 H ATOM 441 HA ALA A 26 5.210 -7.042 -3.539 1.00 0.00 H ATOM 442 HB1 ALA A 26 2.238 -7.360 -2.832 1.00 0.00 H ATOM 443 HB2 ALA A 26 3.007 -7.574 -4.435 1.00 0.00 H ATOM 444 HB3 ALA A 26 3.417 -8.687 -3.089 1.00 0.00 H ATOM 445 N ASP A 27 4.550 -4.669 -4.296 1.00 0.00 N ATOM 446 CA ASP A 27 4.197 -3.289 -4.606 1.00 0.00 C ATOM 447 C ASP A 27 2.775 -3.213 -5.104 1.00 0.00 C ATOM 448 O ASP A 27 2.309 -4.181 -5.682 1.00 0.00 O ATOM 449 CB ASP A 27 5.172 -2.710 -5.662 1.00 0.00 C ATOM 450 CG ASP A 27 5.087 -1.210 -5.729 1.00 0.00 C ATOM 451 OD1 ASP A 27 4.080 -0.686 -6.269 1.00 -0.50 O ATOM 452 OD2 ASP A 27 6.039 -0.544 -5.243 1.00 -0.50 O ATOM 453 H ASP A 27 5.234 -5.134 -4.860 1.00 0.00 H ATOM 454 HA ASP A 27 4.297 -2.696 -3.689 1.00 0.00 H ATOM 455 HB2 ASP A 27 6.205 -2.971 -5.380 1.00 0.00 H ATOM 456 HB3 ASP A 27 4.960 -3.145 -6.651 1.00 0.00 H ATOM 457 N LYS A 28 2.082 -2.068 -4.905 1.00 0.00 N ATOM 458 CA LYS A 28 0.743 -1.928 -5.470 1.00 0.00 C ATOM 459 C LYS A 28 0.738 -2.164 -6.964 1.00 0.00 C ATOM 460 O LYS A 28 -0.310 -2.543 -7.466 1.00 0.00 O ATOM 461 CB LYS A 28 0.104 -0.531 -5.226 1.00 0.00 C ATOM 462 CG LYS A 28 1.008 0.650 -5.679 1.00 0.00 C ATOM 463 CD LYS A 28 0.242 1.813 -6.364 1.00 0.00 C ATOM 464 CE LYS A 28 -0.676 2.595 -5.393 1.00 0.00 C ATOM 465 NZ LYS A 28 -1.302 3.748 -6.076 1.00 1.00 N ATOM 466 H LYS A 28 2.470 -1.303 -4.394 1.00 0.00 H ATOM 467 HA LYS A 28 0.090 -2.683 -5.000 1.00 0.00 H ATOM 468 HB2 LYS A 28 -0.858 -0.504 -5.762 1.00 0.00 H ATOM 469 HB3 LYS A 28 -0.107 -0.417 -4.155 1.00 0.00 H ATOM 470 HG2 LYS A 28 1.583 1.040 -4.823 1.00 0.00 H ATOM 471 HG3 LYS A 28 1.726 0.285 -6.419 1.00 0.00 H ATOM 472 HD2 LYS A 28 0.983 2.515 -6.773 1.00 0.00 H ATOM 473 HD3 LYS A 28 -0.347 1.412 -7.204 1.00 0.00 H ATOM 474 HE2 LYS A 28 -1.462 1.927 -5.013 1.00 0.00 H ATOM 475 HE3 LYS A 28 -0.081 2.963 -4.542 1.00 0.00 H ATOM 476 HZ1 LYS A 28 -0.556 4.425 -6.473 1.00 0.00 H ATOM 477 HZ2 LYS A 28 -1.922 4.313 -5.393 1.00 0.00 H ATOM 478 HZ3 LYS A 28 -1.923 3.422 -6.900 1.00 0.00 H ATOM 479 N PHE A 29 1.868 -1.945 -7.680 1.00 0.00 N ATOM 480 CA PHE A 29 1.878 -2.062 -9.133 1.00 0.00 C ATOM 481 C PHE A 29 2.794 -3.207 -9.505 1.00 0.00 C ATOM 482 O PHE A 29 3.514 -3.116 -10.487 1.00 0.00 O ATOM 483 CB PHE A 29 2.330 -0.684 -9.698 1.00 0.00 C ATOM 484 CG PHE A 29 1.446 -0.192 -10.852 1.00 0.00 C ATOM 485 CD1 PHE A 29 1.229 -1.000 -11.971 1.00 0.00 C ATOM 486 CD2 PHE A 29 0.849 1.073 -10.797 1.00 0.00 C ATOM 487 CE1 PHE A 29 0.414 -0.558 -13.015 1.00 0.00 C ATOM 488 CE2 PHE A 29 0.042 1.521 -11.846 1.00 0.00 C ATOM 489 CZ PHE A 29 -0.180 0.703 -12.955 1.00 0.00 C ATOM 490 H PHE A 29 2.735 -1.683 -7.253 1.00 0.00 H ATOM 491 HA PHE A 29 0.877 -2.294 -9.525 1.00 0.00 H ATOM 492 HB2 PHE A 29 2.258 0.055 -8.887 1.00 0.00 H ATOM 493 HB3 PHE A 29 3.380 -0.700 -10.023 1.00 0.00 H ATOM 494 HD1 PHE A 29 1.693 -1.976 -12.039 1.00 0.00 H ATOM 495 HD2 PHE A 29 1.003 1.725 -9.945 1.00 0.00 H ATOM 496 HE1 PHE A 29 0.240 -1.196 -13.875 1.00 0.00 H ATOM 497 HE2 PHE A 29 -0.412 2.506 -11.798 1.00 0.00 H ATOM 498 HZ PHE A 29 -0.812 1.049 -13.768 1.00 0.00 H ATOM 499 N ASP A 30 2.775 -4.306 -8.717 1.00 0.00 N ATOM 500 CA ASP A 30 3.646 -5.438 -9.015 1.00 0.00 C ATOM 501 C ASP A 30 3.011 -6.267 -10.133 1.00 0.00 C ATOM 502 O ASP A 30 1.804 -6.191 -10.356 1.00 0.00 O ATOM 503 CB ASP A 30 3.833 -6.316 -7.753 1.00 0.00 C ATOM 504 CG ASP A 30 4.703 -7.518 -8.004 1.00 0.00 C ATOM 505 OD1 ASP A 30 5.839 -7.336 -8.521 1.00 -0.50 O ATOM 506 OD2 ASP A 30 4.254 -8.654 -7.690 1.00 -0.50 O ATOM 507 H ASP A 30 2.148 -4.384 -7.943 1.00 0.00 H ATOM 508 HA ASP A 30 4.636 -5.070 -9.328 1.00 0.00 H ATOM 509 HB2 ASP A 30 4.304 -5.703 -6.972 1.00 0.00 H ATOM 510 HB3 ASP A 30 2.852 -6.657 -7.386 1.00 0.00 H HETATM 511 N NH2 A 31 3.803 -7.080 -10.866 1.00 0.00 N HETATM 512 HN1 NH2 A 31 3.400 -7.629 -11.601 1.00 0.00 H HETATM 513 HN2 NH2 A 31 4.787 -7.146 -10.700 1.00 0.00 H TER 514 NH2 A 31 HETATM 515 C1 AQN A 32 2.376 1.266 8.003 1.00 0.00 C HETATM 516 C2 AQN A 32 1.114 1.253 8.606 1.00 0.00 C HETATM 517 C3 AQN A 32 -0.137 1.364 7.763 1.00 0.00 C HETATM 518 O3 AQN A 32 -0.036 1.526 6.558 1.00 0.00 O HETATM 519 C4 AQN A 32 -1.503 1.285 8.406 1.00 0.00 C HETATM 520 C5 AQN A 32 -2.660 1.390 7.629 1.00 0.00 C HETATM 521 C6 AQN A 32 -3.915 1.336 8.239 1.00 0.00 C HETATM 522 C7 AQN A 32 -4.020 1.101 9.611 1.00 0.00 C HETATM 523 C8 AQN A 32 -2.867 0.992 10.388 1.00 0.00 C HETATM 524 C9 AQN A 32 -1.611 1.110 9.789 1.00 0.00 C HETATM 525 C10 AQN A 32 -0.362 1.054 10.637 1.00 0.00 C HETATM 526 O10 AQN A 32 -0.460 0.935 11.848 1.00 0.00 O HETATM 527 C11 AQN A 32 1.002 1.137 9.993 1.00 0.00 C HETATM 528 C12 AQN A 32 2.157 1.106 10.779 1.00 0.00 C HETATM 529 C13 AQN A 32 3.416 1.154 10.180 1.00 0.00 C HETATM 530 C14 AQN A 32 3.531 1.224 8.789 1.00 0.00 C HETATM 531 S15 AQN A 32 5.133 1.239 8.019 1.00 0.00 S HETATM 532 OS1 AQN A 32 5.260 0.058 7.189 1.00 0.00 O HETATM 533 OS2 AQN A 32 5.026 2.434 7.120 1.00 -1.00 O HETATM 534 OS3 AQN A 32 6.139 1.519 9.028 1.00 0.00 O HETATM 535 H1 AQN A 32 2.470 1.302 6.922 1.00 0.00 H HETATM 536 H5 AQN A 32 -2.584 1.520 6.554 1.00 0.00 H HETATM 537 H6 AQN A 32 -4.824 1.479 7.668 1.00 0.00 H HETATM 538 H7 AQN A 32 -4.997 1.002 10.067 1.00 0.00 H HETATM 539 H8 AQN A 32 -2.961 0.815 11.456 1.00 0.00 H HETATM 540 H12 AQN A 32 2.083 1.049 11.858 1.00 0.00 H HETATM 541 H13 AQN A 32 4.302 1.138 10.801 1.00 0.00 H HETATM 542 ZN ZN A 33 0.191 -6.673 0.918 1.00 2.00 ZN