HETATM 1 C ACE A 0 0.190 10.641 5.059 1.00 0.00 C HETATM 2 O ACE A 0 0.685 9.791 4.305 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.087 11.565 5.848 1.00 0.00 C HETATM 4 H1 ACE A 0 0.909 11.433 6.916 1.00 0.00 H HETATM 5 H2 ACE A 0 0.881 12.601 5.580 1.00 0.00 H HETATM 6 H3 ACE A 0 2.126 11.337 5.613 1.00 0.00 H ATOM 7 N LYS A 1 -1.128 10.828 5.251 1.00 0.00 N ATOM 8 CA LYS A 1 -2.097 9.998 4.544 1.00 0.00 C ATOM 9 C LYS A 1 -2.349 10.627 3.196 1.00 0.00 C ATOM 10 O LYS A 1 -3.309 11.372 3.067 1.00 0.00 O ATOM 11 CB LYS A 1 -3.403 9.907 5.377 1.00 0.00 C ATOM 12 CG LYS A 1 -4.450 8.951 4.737 1.00 0.00 C ATOM 13 CD LYS A 1 -5.820 9.652 4.547 1.00 0.00 C ATOM 14 CE LYS A 1 -6.906 8.655 4.071 1.00 0.00 C ATOM 15 NZ LYS A 1 -8.187 9.351 3.824 1.00 1.00 N ATOM 16 H LYS A 1 -1.460 11.564 5.843 1.00 0.00 H ATOM 17 HA LYS A 1 -1.716 8.973 4.427 1.00 0.00 H ATOM 18 HB2 LYS A 1 -3.143 9.525 6.377 1.00 0.00 H ATOM 19 HB3 LYS A 1 -3.819 10.919 5.504 1.00 0.00 H ATOM 20 HG2 LYS A 1 -4.102 8.594 3.755 1.00 0.00 H ATOM 21 HG3 LYS A 1 -4.585 8.074 5.389 1.00 0.00 H ATOM 22 HD2 LYS A 1 -6.146 10.093 5.502 1.00 0.00 H ATOM 23 HD3 LYS A 1 -5.706 10.457 3.802 1.00 0.00 H ATOM 24 HE2 LYS A 1 -6.577 8.159 3.143 1.00 0.00 H ATOM 25 HE3 LYS A 1 -7.060 7.887 4.846 1.00 0.00 H ATOM 26 HZ1 LYS A 1 -8.521 9.889 4.701 1.00 0.00 H ATOM 27 HZ2 LYS A 1 -8.959 8.645 3.552 1.00 0.00 H ATOM 28 HZ3 LYS A 1 -8.096 10.065 3.017 1.00 0.00 H ATOM 29 N PHE A 2 -1.508 10.335 2.177 1.00 0.00 N ATOM 30 CA PHE A 2 -1.752 10.882 0.843 1.00 0.00 C ATOM 31 C PHE A 2 -2.607 9.904 0.071 1.00 0.00 C ATOM 32 O PHE A 2 -2.177 9.423 -0.963 1.00 0.00 O ATOM 33 CB PHE A 2 -0.423 11.173 0.098 1.00 0.00 C ATOM 34 CG PHE A 2 0.386 12.263 0.806 1.00 0.00 C ATOM 35 CD1 PHE A 2 0.199 13.603 0.462 1.00 0.00 C ATOM 36 CD2 PHE A 2 1.326 11.935 1.789 1.00 0.00 C ATOM 37 CE1 PHE A 2 0.986 14.600 1.047 1.00 0.00 C ATOM 38 CE2 PHE A 2 2.096 12.931 2.392 1.00 0.00 C ATOM 39 CZ PHE A 2 1.940 14.263 2.007 1.00 0.00 C ATOM 40 H PHE A 2 -0.748 9.696 2.300 1.00 0.00 H ATOM 41 HA PHE A 2 -2.295 11.839 0.902 1.00 0.00 H ATOM 42 HB2 PHE A 2 0.194 10.267 0.048 1.00 0.00 H ATOM 43 HB3 PHE A 2 -0.632 11.489 -0.937 1.00 0.00 H ATOM 44 HD1 PHE A 2 -0.558 13.880 -0.263 1.00 0.00 H ATOM 45 HD2 PHE A 2 1.467 10.903 2.088 1.00 0.00 H ATOM 46 HE1 PHE A 2 0.856 15.636 0.753 1.00 0.00 H ATOM 47 HE2 PHE A 2 2.816 12.671 3.159 1.00 0.00 H ATOM 48 HZ PHE A 2 2.559 15.035 2.454 1.00 0.00 H ATOM 49 N GLU A 3 -3.829 9.611 0.569 1.00 0.00 N ATOM 50 CA GLU A 3 -4.727 8.693 -0.124 1.00 0.00 C ATOM 51 C GLU A 3 -4.141 7.301 -0.182 1.00 0.00 C ATOM 52 O GLU A 3 -3.702 6.860 -1.231 1.00 0.00 O ATOM 53 CB GLU A 3 -5.159 9.278 -1.494 1.00 0.00 C ATOM 54 CG GLU A 3 -6.322 8.472 -2.127 1.00 0.00 C ATOM 55 CD GLU A 3 -6.978 9.312 -3.189 1.00 0.00 C ATOM 56 OE1 GLU A 3 -7.748 10.239 -2.813 1.00 -0.50 O ATOM 57 OE2 GLU A 3 -6.733 9.058 -4.400 1.00 -0.50 O ATOM 58 H GLU A 3 -4.160 10.034 1.413 1.00 0.00 H ATOM 59 HA GLU A 3 -5.651 8.633 0.475 1.00 0.00 H ATOM 60 HB2 GLU A 3 -5.502 10.307 -1.303 1.00 0.00 H ATOM 61 HB3 GLU A 3 -4.324 9.318 -2.208 1.00 0.00 H ATOM 62 HG2 GLU A 3 -5.940 7.532 -2.556 1.00 0.00 H ATOM 63 HG3 GLU A 3 -7.086 8.224 -1.375 1.00 0.00 H ATOM 64 N ASP A 4 -4.163 6.609 0.980 1.00 0.00 N ATOM 65 CA ASP A 4 -3.713 5.219 1.066 1.00 0.00 C ATOM 66 C ASP A 4 -4.355 4.337 0.017 1.00 0.00 C ATOM 67 O ASP A 4 -5.323 4.772 -0.588 1.00 0.00 O ATOM 68 CB ASP A 4 -4.035 4.706 2.499 1.00 0.00 C ATOM 69 CG ASP A 4 -5.481 4.912 2.881 1.00 0.00 C ATOM 70 OD1 ASP A 4 -6.361 4.861 1.981 1.00 -0.50 O ATOM 71 OD2 ASP A 4 -5.759 5.137 4.090 1.00 -0.50 O ATOM 72 H ASP A 4 -4.486 7.057 1.814 1.00 0.00 H ATOM 73 HA ASP A 4 -2.622 5.200 0.912 1.00 0.00 H ATOM 74 HB2 ASP A 4 -3.778 3.645 2.605 1.00 0.00 H ATOM 75 HB3 ASP A 4 -3.416 5.274 3.209 1.00 0.00 H ATOM 76 N TRP A 5 -3.832 3.105 -0.209 1.00 0.00 N ATOM 77 CA TRP A 5 -4.378 2.223 -1.243 1.00 0.00 C ATOM 78 C TRP A 5 -4.611 0.838 -0.703 1.00 0.00 C ATOM 79 O TRP A 5 -4.007 0.505 0.302 1.00 0.00 O ATOM 80 CB TRP A 5 -3.429 2.101 -2.454 1.00 0.00 C ATOM 81 CG TRP A 5 -2.004 1.834 -2.049 1.00 0.00 C ATOM 82 CD1 TRP A 5 -1.084 2.787 -1.850 1.00 0.00 C ATOM 83 CD2 TRP A 5 -1.316 0.511 -1.821 1.00 0.00 C ATOM 84 NE1 TRP A 5 0.061 2.238 -1.540 1.00 0.00 N ATOM 85 CE2 TRP A 5 -0.018 0.892 -1.542 1.00 0.00 C ATOM 86 CE3 TRP A 5 -1.689 -0.833 -1.858 1.00 0.00 C ATOM 87 CZ2 TRP A 5 0.998 -0.040 -1.333 1.00 0.00 C ATOM 88 CZ3 TRP A 5 -0.671 -1.777 -1.690 1.00 0.00 C ATOM 89 CH2 TRP A 5 0.654 -1.389 -1.460 1.00 0.00 C ATOM 90 H TRP A 5 -3.043 2.780 0.313 1.00 0.00 H ATOM 91 HA TRP A 5 -5.352 2.591 -1.601 1.00 0.00 H ATOM 92 HB2 TRP A 5 -3.768 1.308 -3.134 1.00 0.00 H ATOM 93 HB3 TRP A 5 -3.468 3.061 -2.993 1.00 0.00 H ATOM 94 HD1 TRP A 5 -1.317 3.845 -1.955 1.00 0.00 H ATOM 95 HE1 TRP A 5 0.926 2.764 -1.344 1.00 0.00 H ATOM 96 HE3 TRP A 5 -2.719 -1.122 -2.020 1.00 0.00 H ATOM 97 HZ2 TRP A 5 2.011 0.256 -1.095 1.00 0.00 H ATOM 98 HZ3 TRP A 5 -0.889 -2.835 -1.742 1.00 0.00 H ATOM 99 HH2 TRP A 5 1.424 -2.150 -1.386 1.00 0.00 H ATOM 100 N LEU A 6 -5.486 0.047 -1.371 1.00 0.00 N ATOM 101 CA LEU A 6 -5.915 -1.229 -0.811 1.00 0.00 C ATOM 102 C LEU A 6 -5.202 -2.339 -1.547 1.00 0.00 C ATOM 103 O LEU A 6 -5.273 -2.369 -2.766 1.00 0.00 O ATOM 104 CB LEU A 6 -7.468 -1.276 -0.881 1.00 0.00 C ATOM 105 CG LEU A 6 -8.158 -1.981 0.327 1.00 0.00 C ATOM 106 CD1 LEU A 6 -9.280 -1.087 0.922 1.00 0.00 C ATOM 107 CD2 LEU A 6 -8.758 -3.338 -0.102 1.00 0.00 C ATOM 108 H LEU A 6 -5.888 0.330 -2.246 1.00 0.00 H ATOM 109 HA LEU A 6 -5.627 -1.246 0.243 1.00 0.00 H ATOM 110 HB2 LEU A 6 -7.810 -0.229 -0.874 1.00 0.00 H ATOM 111 HB3 LEU A 6 -7.787 -1.712 -1.843 1.00 0.00 H ATOM 112 HG LEU A 6 -7.453 -2.182 1.150 1.00 0.00 H ATOM 113 HD11 LEU A 6 -8.848 -0.144 1.298 1.00 0.00 H ATOM 114 HD12 LEU A 6 -9.769 -1.602 1.765 1.00 0.00 H ATOM 115 HD13 LEU A 6 -10.039 -0.859 0.157 1.00 0.00 H ATOM 116 HD21 LEU A 6 -9.560 -3.203 -0.845 1.00 0.00 H ATOM 117 HD22 LEU A 6 -9.175 -3.827 0.789 1.00 0.00 H ATOM 118 HD23 LEU A 6 -7.966 -3.968 -0.535 1.00 0.00 H ATOM 119 N CYS A 7 -4.487 -3.240 -0.832 1.00 0.00 N ATOM 120 CA CYS A 7 -3.642 -4.215 -1.516 1.00 0.00 C ATOM 121 C CYS A 7 -4.471 -5.204 -2.289 1.00 0.00 C ATOM 122 O CYS A 7 -5.630 -5.379 -1.951 1.00 0.00 O ATOM 123 CB CYS A 7 -2.745 -4.914 -0.461 1.00 0.00 C ATOM 124 SG CYS A 7 -1.576 -6.139 -1.098 1.00 -1.00 S ATOM 125 H CYS A 7 -4.484 -3.227 0.171 1.00 0.00 H ATOM 126 HA CYS A 7 -3.000 -3.680 -2.231 1.00 0.00 H ATOM 127 HB2 CYS A 7 -2.149 -4.158 0.063 1.00 0.00 H ATOM 128 HB3 CYS A 7 -3.379 -5.446 0.255 1.00 0.00 H ATOM 129 N ASN A 8 -3.874 -5.844 -3.326 1.00 0.00 N ATOM 130 CA ASN A 8 -4.593 -6.837 -4.119 1.00 0.00 C ATOM 131 C ASN A 8 -4.063 -8.212 -3.763 1.00 0.00 C ATOM 132 O ASN A 8 -3.851 -9.042 -4.633 1.00 0.00 O ATOM 133 CB ASN A 8 -4.444 -6.468 -5.622 1.00 0.00 C ATOM 134 CG ASN A 8 -5.780 -6.503 -6.320 1.00 0.00 C ATOM 135 OD1 ASN A 8 -6.053 -7.445 -7.046 1.00 0.00 O ATOM 136 ND2 ASN A 8 -6.634 -5.479 -6.106 1.00 0.00 N ATOM 137 H ASN A 8 -2.913 -5.681 -3.561 1.00 0.00 H ATOM 138 HA ASN A 8 -5.666 -6.837 -3.872 1.00 0.00 H ATOM 139 HB2 ASN A 8 -4.061 -5.440 -5.714 1.00 0.00 H ATOM 140 HB3 ASN A 8 -3.723 -7.122 -6.136 1.00 0.00 H ATOM 141 HD21 ASN A 8 -6.388 -4.722 -5.499 1.00 0.00 H ATOM 142 HD22 ASN A 8 -7.524 -5.473 -6.559 1.00 0.00 H ATOM 143 N LYS A 9 -3.850 -8.447 -2.451 1.00 0.00 N ATOM 144 CA LYS A 9 -3.287 -9.711 -1.978 1.00 0.00 C ATOM 145 C LYS A 9 -3.862 -9.984 -0.603 1.00 0.00 C ATOM 146 O LYS A 9 -4.562 -10.970 -0.442 1.00 0.00 O ATOM 147 CB LYS A 9 -1.736 -9.598 -1.920 1.00 0.00 C ATOM 148 CG LYS A 9 -0.958 -10.800 -2.513 1.00 0.00 C ATOM 149 CD LYS A 9 -1.076 -10.900 -4.058 1.00 0.00 C ATOM 150 CE LYS A 9 0.098 -11.705 -4.669 1.00 0.00 C ATOM 151 NZ LYS A 9 0.258 -13.052 -4.074 1.00 1.00 N ATOM 152 H LYS A 9 -4.045 -7.739 -1.781 1.00 0.00 H ATOM 153 HA LYS A 9 -3.584 -10.532 -2.647 1.00 0.00 H ATOM 154 HB2 LYS A 9 -1.398 -8.684 -2.431 1.00 0.00 H ATOM 155 HB3 LYS A 9 -1.417 -9.535 -0.873 1.00 0.00 H ATOM 156 HG2 LYS A 9 0.105 -10.646 -2.256 1.00 0.00 H ATOM 157 HG3 LYS A 9 -1.299 -11.735 -2.037 1.00 0.00 H ATOM 158 HD2 LYS A 9 -2.034 -11.373 -4.327 1.00 0.00 H ATOM 159 HD3 LYS A 9 -1.051 -9.892 -4.501 1.00 0.00 H ATOM 160 HE2 LYS A 9 -0.084 -11.821 -5.748 1.00 0.00 H ATOM 161 HE3 LYS A 9 1.039 -11.147 -4.538 1.00 0.00 H ATOM 162 HZ1 LYS A 9 0.600 -13.021 -3.049 1.00 0.00 H ATOM 163 HZ2 LYS A 9 1.005 -13.609 -4.624 1.00 0.00 H ATOM 164 HZ3 LYS A 9 -0.669 -13.605 -4.112 1.00 0.00 H ATOM 165 N CYS A 10 -3.575 -9.101 0.385 1.00 0.00 N ATOM 166 CA CYS A 10 -4.093 -9.260 1.740 1.00 0.00 C ATOM 167 C CYS A 10 -5.191 -8.274 2.078 1.00 0.00 C ATOM 168 O CYS A 10 -5.676 -8.320 3.197 1.00 0.00 O ATOM 169 CB CYS A 10 -2.910 -9.063 2.715 1.00 0.00 C ATOM 170 SG CYS A 10 -2.397 -7.324 2.676 1.00 -1.00 S ATOM 171 H CYS A 10 -3.002 -8.298 0.214 1.00 0.00 H ATOM 172 HA CYS A 10 -4.482 -10.278 1.888 1.00 0.00 H ATOM 173 HB2 CYS A 10 -3.225 -9.320 3.733 1.00 0.00 H ATOM 174 HB3 CYS A 10 -2.068 -9.710 2.427 1.00 0.00 H ATOM 175 N CYS A 11 -5.603 -7.384 1.150 1.00 0.00 N ATOM 176 CA CYS A 11 -6.741 -6.513 1.401 1.00 0.00 C ATOM 177 C CYS A 11 -6.542 -5.557 2.558 1.00 0.00 C ATOM 178 O CYS A 11 -7.529 -5.207 3.185 1.00 0.00 O ATOM 179 CB CYS A 11 -7.992 -7.417 1.552 1.00 0.00 C ATOM 180 SG CYS A 11 -9.523 -6.565 1.060 1.00 0.00 S ATOM 181 H CYS A 11 -5.199 -7.335 0.241 1.00 0.00 H ATOM 182 HA CYS A 11 -6.876 -5.886 0.509 1.00 0.00 H ATOM 183 HB2 CYS A 11 -7.885 -8.290 0.893 1.00 0.00 H ATOM 184 HB3 CYS A 11 -8.097 -7.773 2.589 1.00 0.00 H ATOM 185 HG CYS A 11 -9.323 -6.464 0.076 1.00 0.00 H ATOM 186 N LEU A 12 -5.288 -5.120 2.836 1.00 0.00 N ATOM 187 CA LEU A 12 -5.033 -4.146 3.898 1.00 0.00 C ATOM 188 C LEU A 12 -4.905 -2.787 3.256 1.00 0.00 C ATOM 189 O LEU A 12 -4.446 -2.733 2.125 1.00 0.00 O ATOM 190 CB LEU A 12 -3.691 -4.471 4.621 1.00 0.00 C ATOM 191 CG LEU A 12 -3.344 -3.534 5.817 1.00 0.00 C ATOM 192 CD1 LEU A 12 -4.294 -3.724 7.034 1.00 0.00 C ATOM 193 CD2 LEU A 12 -1.886 -3.756 6.291 1.00 0.00 C ATOM 194 H LEU A 12 -4.510 -5.415 2.289 1.00 0.00 H ATOM 195 HA LEU A 12 -5.863 -4.165 4.618 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.718 -5.513 4.957 1.00 0.00 H ATOM 197 HB3 LEU A 12 -2.886 -4.393 3.882 1.00 0.00 H ATOM 198 HG LEU A 12 -3.387 -2.486 5.490 1.00 0.00 H ATOM 199 HD11 LEU A 12 -4.007 -3.024 7.838 1.00 0.00 H ATOM 200 HD12 LEU A 12 -4.209 -4.752 7.423 1.00 0.00 H ATOM 201 HD13 LEU A 12 -5.350 -3.528 6.786 1.00 0.00 H ATOM 202 HD21 LEU A 12 -1.630 -3.007 7.056 1.00 0.00 H ATOM 203 HD22 LEU A 12 -1.177 -3.650 5.457 1.00 0.00 H ATOM 204 HD23 LEU A 12 -1.772 -4.756 6.735 1.00 0.00 H ATOM 205 N ASN A 13 -5.272 -1.691 3.962 1.00 0.00 N ATOM 206 CA ASN A 13 -5.067 -0.362 3.398 1.00 0.00 C ATOM 207 C ASN A 13 -3.670 0.084 3.775 1.00 0.00 C ATOM 208 O ASN A 13 -3.394 0.082 4.964 1.00 0.00 O ATOM 209 CB ASN A 13 -6.181 0.595 3.894 1.00 0.00 C ATOM 210 CG ASN A 13 -6.430 1.753 2.959 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.648 1.997 2.053 1.00 0.00 O ATOM 212 ND2 ASN A 13 -7.547 2.484 3.157 1.00 0.00 N ATOM 213 H ASN A 13 -5.649 -1.763 4.890 1.00 0.00 H ATOM 214 HA ASN A 13 -5.187 -0.429 2.312 1.00 0.00 H ATOM 215 HB2 ASN A 13 -7.117 0.016 3.935 1.00 0.00 H ATOM 216 HB3 ASN A 13 -5.947 0.960 4.905 1.00 0.00 H ATOM 217 HD21 ASN A 13 -8.175 2.270 3.907 1.00 0.00 H ATOM 218 HD22 ASN A 13 -7.757 3.246 2.544 1.00 0.00 H ATOM 219 N ASN A 14 -2.790 0.441 2.805 1.00 0.00 N ATOM 220 CA ASN A 14 -1.396 0.767 3.113 1.00 0.00 C ATOM 221 C ASN A 14 -1.118 2.187 2.705 1.00 0.00 C ATOM 222 O ASN A 14 -1.708 2.627 1.730 1.00 0.00 O ATOM 223 CB ASN A 14 -0.420 -0.146 2.331 1.00 0.00 C ATOM 224 CG ASN A 14 -0.793 -1.572 2.643 1.00 0.00 C ATOM 225 OD1 ASN A 14 -0.239 -2.144 3.568 1.00 0.00 O ATOM 226 ND2 ASN A 14 -1.746 -2.170 1.901 1.00 0.00 N ATOM 227 H ASN A 14 -3.059 0.486 1.844 1.00 0.00 H ATOM 228 HA ASN A 14 -1.185 0.628 4.185 1.00 0.00 H ATOM 229 HB2 ASN A 14 -0.502 0.062 1.254 1.00 0.00 H ATOM 230 HB3 ASN A 14 0.620 0.068 2.636 1.00 0.00 H ATOM 231 HD21 ASN A 14 -2.187 -1.701 1.137 1.00 0.00 H ATOM 232 HD22 ASN A 14 -2.025 -3.099 2.130 1.00 0.00 H ATOM 233 N PHE A 15 -0.240 2.923 3.421 1.00 0.00 N ATOM 234 CA PHE A 15 -0.064 4.326 3.079 1.00 0.00 C ATOM 235 C PHE A 15 0.395 4.491 1.656 1.00 0.00 C ATOM 236 O PHE A 15 0.939 3.562 1.082 1.00 0.00 O ATOM 237 CB PHE A 15 0.903 5.077 4.029 1.00 0.00 C ATOM 238 CG PHE A 15 0.267 5.302 5.407 1.00 0.00 C ATOM 239 CD1 PHE A 15 -0.882 6.091 5.519 1.00 0.00 C ATOM 240 CD2 PHE A 15 0.823 4.744 6.563 1.00 0.00 C ATOM 241 CE1 PHE A 15 -1.507 6.273 6.752 1.00 0.00 C ATOM 242 CE2 PHE A 15 0.216 4.947 7.804 1.00 0.00 C ATOM 243 CZ PHE A 15 -0.960 5.692 7.899 1.00 0.00 C ATOM 244 H PHE A 15 0.263 2.545 4.199 1.00 0.00 H ATOM 245 HA PHE A 15 -1.062 4.782 3.135 1.00 0.00 H ATOM 246 HB2 PHE A 15 1.842 4.511 4.109 1.00 0.00 H ATOM 247 HB3 PHE A 15 1.142 6.069 3.618 1.00 0.00 H ATOM 248 HD1 PHE A 15 -1.298 6.573 4.642 1.00 0.00 H ATOM 249 HD2 PHE A 15 1.732 4.155 6.504 1.00 0.00 H ATOM 250 HE1 PHE A 15 -2.413 6.865 6.819 1.00 0.00 H ATOM 251 HE2 PHE A 15 0.661 4.530 8.700 1.00 0.00 H ATOM 252 HZ PHE A 15 -1.446 5.821 8.859 1.00 0.00 H ATOM 253 N ARG A 16 0.162 5.689 1.075 1.00 0.00 N ATOM 254 CA ARG A 16 0.594 5.909 -0.296 1.00 0.00 C ATOM 255 C ARG A 16 2.096 5.974 -0.333 1.00 0.00 C ATOM 256 O ARG A 16 2.691 5.353 -1.200 1.00 0.00 O ATOM 257 CB ARG A 16 -0.023 7.195 -0.897 1.00 0.00 C ATOM 258 CG ARG A 16 0.193 7.245 -2.437 1.00 0.00 C ATOM 259 CD ARG A 16 0.346 8.677 -3.022 1.00 0.00 C ATOM 260 NE ARG A 16 -0.897 9.333 -3.421 1.00 0.00 N ATOM 261 CZ ARG A 16 -0.916 10.485 -4.059 1.00 1.00 C ATOM 262 NH1 ARG A 16 0.166 11.181 -4.324 1.00 0.00 N ATOM 263 NH2 ARG A 16 -2.067 10.970 -4.462 1.00 0.00 N ATOM 264 H ARG A 16 -0.280 6.440 1.569 1.00 0.00 H ATOM 265 HA ARG A 16 0.266 5.067 -0.908 1.00 0.00 H ATOM 266 HB2 ARG A 16 -1.099 7.221 -0.670 1.00 0.00 H ATOM 267 HB3 ARG A 16 0.470 8.028 -0.384 1.00 0.00 H ATOM 268 HG2 ARG A 16 1.133 6.722 -2.665 1.00 0.00 H ATOM 269 HG3 ARG A 16 -0.613 6.698 -2.950 1.00 0.00 H ATOM 270 HD2 ARG A 16 0.909 9.306 -2.314 1.00 0.00 H ATOM 271 HD3 ARG A 16 0.931 8.560 -3.950 1.00 0.00 H ATOM 272 HE ARG A 16 -1.783 8.846 -3.221 1.00 0.00 H ATOM 273 HH11 ARG A 16 1.099 10.869 -4.029 1.00 0.00 H ATOM 274 HH12 ARG A 16 0.108 12.074 -4.832 1.00 0.00 H ATOM 275 HH21 ARG A 16 -2.947 10.462 -4.292 1.00 0.00 H ATOM 276 HH22 ARG A 16 -2.118 11.865 -4.971 1.00 0.00 H ATOM 277 N LYS A 17 2.717 6.718 0.606 1.00 0.00 N ATOM 278 CA LYS A 17 4.172 6.813 0.600 1.00 0.00 C ATOM 279 C LYS A 17 4.753 5.428 0.537 1.00 0.00 C ATOM 280 O LYS A 17 5.719 5.223 -0.178 1.00 0.00 O ATOM 281 CB LYS A 17 4.759 7.532 1.845 1.00 0.00 C ATOM 282 CG LYS A 17 4.335 9.028 1.892 1.00 0.00 C ATOM 283 CD LYS A 17 5.081 9.843 2.983 1.00 0.00 C ATOM 284 CE LYS A 17 6.610 9.934 2.733 1.00 0.00 C ATOM 285 NZ LYS A 17 7.187 11.129 3.389 1.00 1.00 N ATOM 286 H LYS A 17 2.197 7.199 1.312 1.00 0.00 H ATOM 287 HA LYS A 17 4.474 7.358 -0.310 1.00 0.00 H ATOM 288 HB2 LYS A 17 4.442 7.013 2.764 1.00 0.00 H ATOM 289 HB3 LYS A 17 5.853 7.452 1.768 1.00 0.00 H ATOM 290 HG2 LYS A 17 4.518 9.510 0.918 1.00 0.00 H ATOM 291 HG3 LYS A 17 3.256 9.096 2.100 1.00 0.00 H ATOM 292 HD2 LYS A 17 4.665 10.864 2.970 1.00 0.00 H ATOM 293 HD3 LYS A 17 4.889 9.407 3.977 1.00 0.00 H ATOM 294 HE2 LYS A 17 7.111 9.037 3.134 1.00 0.00 H ATOM 295 HE3 LYS A 17 6.817 10.000 1.652 1.00 0.00 H ATOM 296 HZ1 LYS A 17 6.810 12.035 2.936 1.00 0.00 H ATOM 297 HZ2 LYS A 17 8.263 11.133 3.278 1.00 0.00 H ATOM 298 HZ3 LYS A 17 6.953 11.152 4.445 1.00 0.00 H ATOM 299 N ARG A 18 4.154 4.462 1.263 1.00 0.00 N ATOM 300 CA ARG A 18 4.649 3.100 1.156 1.00 0.00 C ATOM 301 C ARG A 18 4.439 2.616 -0.259 1.00 0.00 C ATOM 302 O ARG A 18 3.318 2.305 -0.620 1.00 0.00 O ATOM 303 CB ARG A 18 3.948 2.125 2.131 1.00 0.00 C ATOM 304 CG ARG A 18 4.276 2.375 3.624 1.00 0.00 C ATOM 305 CD ARG A 18 5.709 1.931 4.046 1.00 0.00 C ATOM 306 NE ARG A 18 6.751 2.879 3.669 1.00 0.00 N ATOM 307 CZ ARG A 18 6.924 4.050 4.244 1.00 1.00 C ATOM 308 NH1 ARG A 18 6.199 4.494 5.244 1.00 0.00 N ATOM 309 NH2 ARG A 18 7.883 4.822 3.791 1.00 0.00 N ATOM 310 H ARG A 18 3.362 4.650 1.846 1.00 0.00 H ATOM 311 HA ARG A 18 5.716 3.099 1.400 1.00 0.00 H ATOM 312 HB2 ARG A 18 2.859 2.185 1.985 1.00 0.00 H ATOM 313 HB3 ARG A 18 4.266 1.108 1.882 1.00 0.00 H ATOM 314 HG2 ARG A 18 4.097 3.430 3.860 1.00 0.00 H ATOM 315 HG3 ARG A 18 3.552 1.771 4.191 1.00 0.00 H ATOM 316 HD2 ARG A 18 5.791 1.759 5.127 1.00 0.00 H ATOM 317 HD3 ARG A 18 5.923 0.958 3.576 1.00 0.00 H ATOM 318 HE ARG A 18 7.401 2.583 2.923 1.00 0.00 H ATOM 319 HH11 ARG A 18 5.448 3.933 5.661 1.00 0.00 H ATOM 320 HH12 ARG A 18 6.377 5.424 5.650 1.00 0.00 H ATOM 321 HH21 ARG A 18 8.481 4.526 3.005 1.00 0.00 H ATOM 322 HH22 ARG A 18 8.060 5.748 4.205 1.00 0.00 H ATOM 323 N LEU A 19 5.519 2.537 -1.066 1.00 0.00 N ATOM 324 CA LEU A 19 5.415 1.920 -2.385 1.00 0.00 C ATOM 325 C LEU A 19 5.036 0.459 -2.298 1.00 0.00 C ATOM 326 O LEU A 19 4.499 -0.033 -3.280 1.00 0.00 O ATOM 327 CB LEU A 19 6.725 2.070 -3.211 1.00 0.00 C ATOM 328 CG LEU A 19 8.002 1.520 -2.503 1.00 0.00 C ATOM 329 CD1 LEU A 19 8.723 0.460 -3.374 1.00 0.00 C ATOM 330 CD2 LEU A 19 9.002 2.663 -2.173 1.00 0.00 C ATOM 331 H LEU A 19 6.411 2.866 -0.760 1.00 0.00 H ATOM 332 HA LEU A 19 4.616 2.436 -2.943 1.00 0.00 H ATOM 333 HB2 LEU A 19 6.569 1.547 -4.167 1.00 0.00 H ATOM 334 HB3 LEU A 19 6.862 3.137 -3.442 1.00 0.00 H ATOM 335 HG LEU A 19 7.729 1.019 -1.562 1.00 0.00 H ATOM 336 HD11 LEU A 19 8.045 -0.382 -3.584 1.00 0.00 H ATOM 337 HD12 LEU A 19 9.604 0.070 -2.840 1.00 0.00 H ATOM 338 HD13 LEU A 19 9.052 0.899 -4.328 1.00 0.00 H ATOM 339 HD21 LEU A 19 8.532 3.454 -1.573 1.00 0.00 H ATOM 340 HD22 LEU A 19 9.383 3.114 -3.101 1.00 0.00 H ATOM 341 HD23 LEU A 19 9.852 2.261 -1.602 1.00 0.00 H ATOM 342 N LYS A 20 5.296 -0.241 -1.165 1.00 0.00 N ATOM 343 CA LYS A 20 4.949 -1.659 -1.061 1.00 0.00 C ATOM 344 C LYS A 20 3.955 -1.870 0.047 1.00 0.00 C ATOM 345 O LYS A 20 3.729 -0.969 0.833 1.00 0.00 O ATOM 346 CB LYS A 20 6.215 -2.530 -0.835 1.00 0.00 C ATOM 347 CG LYS A 20 6.671 -3.220 -2.150 1.00 0.00 C ATOM 348 CD LYS A 20 7.948 -4.069 -1.915 1.00 0.00 C ATOM 349 CE LYS A 20 8.365 -4.869 -3.178 1.00 0.00 C ATOM 350 NZ LYS A 20 9.132 -4.048 -4.139 1.00 1.00 N ATOM 351 H LYS A 20 5.719 0.180 -0.363 1.00 0.00 H ATOM 352 HA LYS A 20 4.416 -2.000 -1.956 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.031 -1.905 -0.439 1.00 0.00 H ATOM 354 HB3 LYS A 20 6.001 -3.313 -0.090 1.00 0.00 H ATOM 355 HG2 LYS A 20 5.868 -3.891 -2.493 1.00 0.00 H ATOM 356 HG3 LYS A 20 6.849 -2.459 -2.923 1.00 0.00 H ATOM 357 HD2 LYS A 20 8.781 -3.425 -1.591 1.00 0.00 H ATOM 358 HD3 LYS A 20 7.735 -4.790 -1.111 1.00 0.00 H ATOM 359 HE2 LYS A 20 9.003 -5.713 -2.864 1.00 0.00 H ATOM 360 HE3 LYS A 20 7.470 -5.285 -3.665 1.00 0.00 H ATOM 361 HZ1 LYS A 20 8.602 -3.165 -4.465 1.00 0.00 H ATOM 362 HZ2 LYS A 20 9.360 -4.636 -5.019 1.00 0.00 H ATOM 363 HZ3 LYS A 20 10.079 -3.748 -3.709 1.00 0.00 H ATOM 364 N CYS A 21 3.334 -3.067 0.110 1.00 0.00 N ATOM 365 CA CYS A 21 2.344 -3.303 1.153 1.00 0.00 C ATOM 366 C CYS A 21 3.081 -3.501 2.451 1.00 0.00 C ATOM 367 O CYS A 21 4.218 -3.942 2.397 1.00 0.00 O ATOM 368 CB CYS A 21 1.525 -4.568 0.810 1.00 0.00 C ATOM 369 SG CYS A 21 0.259 -4.869 2.067 1.00 -1.00 S ATOM 370 H CYS A 21 3.548 -3.806 -0.532 1.00 0.00 H ATOM 371 HA CYS A 21 1.653 -2.449 1.211 1.00 0.00 H ATOM 372 HB2 CYS A 21 1.025 -4.449 -0.161 1.00 0.00 H ATOM 373 HB3 CYS A 21 2.188 -5.441 0.780 1.00 0.00 H ATOM 374 N PHE A 22 2.448 -3.193 3.608 1.00 0.00 N ATOM 375 CA PHE A 22 3.084 -3.422 4.902 1.00 0.00 C ATOM 376 C PHE A 22 2.405 -4.583 5.586 1.00 0.00 C ATOM 377 O PHE A 22 2.061 -4.507 6.755 1.00 0.00 O ATOM 378 CB PHE A 22 3.035 -2.088 5.683 1.00 0.00 C ATOM 379 CG PHE A 22 3.872 -2.113 6.973 1.00 0.00 C ATOM 380 CD1 PHE A 22 5.263 -2.258 6.906 1.00 0.00 C ATOM 381 CD2 PHE A 22 3.262 -1.973 8.220 1.00 0.00 C ATOM 382 CE1 PHE A 22 6.027 -2.300 8.073 1.00 0.00 C ATOM 383 CE2 PHE A 22 4.027 -1.984 9.390 1.00 0.00 C ATOM 384 CZ PHE A 22 5.411 -2.159 9.318 1.00 0.00 C ATOM 385 H PHE A 22 1.517 -2.829 3.613 1.00 0.00 H ATOM 386 HA PHE A 22 4.140 -3.704 4.784 1.00 0.00 H ATOM 387 HB2 PHE A 22 3.454 -1.318 5.020 1.00 0.00 H ATOM 388 HB3 PHE A 22 1.989 -1.825 5.899 1.00 0.00 H ATOM 389 HD1 PHE A 22 5.761 -2.334 5.944 1.00 0.00 H ATOM 390 HD2 PHE A 22 2.186 -1.852 8.299 1.00 0.00 H ATOM 391 HE1 PHE A 22 7.101 -2.441 8.015 1.00 0.00 H ATOM 392 HE2 PHE A 22 3.548 -1.859 10.353 1.00 0.00 H ATOM 393 HZ PHE A 22 6.004 -2.184 10.225 1.00 0.00 H ATOM 394 N ARG A 23 2.245 -5.686 4.817 1.00 0.00 N ATOM 395 CA ARG A 23 1.772 -6.953 5.370 1.00 0.00 C ATOM 396 C ARG A 23 2.404 -8.069 4.559 1.00 0.00 C ATOM 397 O ARG A 23 3.117 -8.878 5.128 1.00 0.00 O ATOM 398 CB ARG A 23 0.221 -7.121 5.399 1.00 0.00 C ATOM 399 CG ARG A 23 -0.210 -8.025 6.590 1.00 0.00 C ATOM 400 CD ARG A 23 -1.521 -8.834 6.380 1.00 0.00 C ATOM 401 NE ARG A 23 -2.760 -8.060 6.368 1.00 0.00 N ATOM 402 CZ ARG A 23 -3.947 -8.611 6.219 1.00 1.00 C ATOM 403 NH1 ARG A 23 -4.122 -9.903 6.061 1.00 0.00 N ATOM 404 NH2 ARG A 23 -5.020 -7.856 6.235 1.00 0.00 N ATOM 405 H ARG A 23 2.515 -5.653 3.862 1.00 0.00 H ATOM 406 HA ARG A 23 2.158 -7.014 6.404 1.00 0.00 H ATOM 407 HB2 ARG A 23 -0.267 -6.139 5.484 1.00 0.00 H ATOM 408 HB3 ARG A 23 -0.113 -7.575 4.458 1.00 0.00 H ATOM 409 HG2 ARG A 23 0.568 -8.789 6.747 1.00 0.00 H ATOM 410 HG3 ARG A 23 -0.275 -7.408 7.501 1.00 0.00 H ATOM 411 HD2 ARG A 23 -1.406 -9.413 5.449 1.00 0.00 H ATOM 412 HD3 ARG A 23 -1.590 -9.529 7.232 1.00 0.00 H ATOM 413 HE ARG A 23 -2.685 -7.043 6.499 1.00 0.00 H ATOM 414 HH11 ARG A 23 -3.333 -10.559 6.049 1.00 0.00 H ATOM 415 HH12 ARG A 23 -5.067 -10.298 5.946 1.00 0.00 H ATOM 416 HH21 ARG A 23 -4.956 -6.844 6.386 1.00 0.00 H ATOM 417 HH22 ARG A 23 -5.961 -8.261 6.111 1.00 0.00 H ATOM 418 N CYS A 24 2.152 -8.104 3.225 1.00 0.00 N ATOM 419 CA CYS A 24 2.742 -9.119 2.349 1.00 0.00 C ATOM 420 C CYS A 24 3.813 -8.580 1.419 1.00 0.00 C ATOM 421 O CYS A 24 4.263 -9.324 0.567 1.00 0.00 O ATOM 422 CB CYS A 24 1.597 -9.758 1.524 1.00 0.00 C ATOM 423 SG CYS A 24 0.791 -8.501 0.476 1.00 -1.00 S ATOM 424 H CYS A 24 1.556 -7.425 2.798 1.00 0.00 H ATOM 425 HA CYS A 24 3.199 -9.926 2.940 1.00 0.00 H ATOM 426 HB2 CYS A 24 1.984 -10.566 0.886 1.00 0.00 H ATOM 427 HB3 CYS A 24 0.836 -10.177 2.202 1.00 0.00 H ATOM 428 N GLY A 25 4.257 -7.305 1.539 1.00 0.00 N ATOM 429 CA GLY A 25 5.324 -6.818 0.667 1.00 0.00 C ATOM 430 C GLY A 25 4.995 -6.786 -0.806 1.00 0.00 C ATOM 431 O GLY A 25 5.912 -6.564 -1.581 1.00 0.00 O ATOM 432 H GLY A 25 3.906 -6.682 2.234 1.00 0.00 H ATOM 433 HA2 GLY A 25 5.595 -5.789 0.957 1.00 0.00 H ATOM 434 HA3 GLY A 25 6.213 -7.451 0.815 1.00 0.00 H ATOM 435 N ALA A 26 3.731 -6.988 -1.236 1.00 0.00 N ATOM 436 CA ALA A 26 3.433 -6.911 -2.660 1.00 0.00 C ATOM 437 C ALA A 26 3.414 -5.462 -3.070 1.00 0.00 C ATOM 438 O ALA A 26 3.068 -4.633 -2.246 1.00 0.00 O ATOM 439 CB ALA A 26 2.057 -7.550 -2.965 1.00 0.00 C ATOM 440 H ALA A 26 2.977 -7.155 -0.607 1.00 0.00 H ATOM 441 HA ALA A 26 4.196 -7.470 -3.229 1.00 0.00 H ATOM 442 HB1 ALA A 26 2.054 -8.604 -2.638 1.00 0.00 H ATOM 443 HB2 ALA A 26 1.262 -7.002 -2.436 1.00 0.00 H ATOM 444 HB3 ALA A 26 1.856 -7.514 -4.045 1.00 0.00 H ATOM 445 N ASP A 27 3.789 -5.143 -4.330 1.00 0.00 N ATOM 446 CA ASP A 27 3.777 -3.747 -4.759 1.00 0.00 C ATOM 447 C ASP A 27 2.404 -3.423 -5.279 1.00 0.00 C ATOM 448 O ASP A 27 1.646 -4.353 -5.509 1.00 0.00 O ATOM 449 CB ASP A 27 4.872 -3.514 -5.830 1.00 0.00 C ATOM 450 CG ASP A 27 5.163 -2.045 -6.007 1.00 0.00 C ATOM 451 OD1 ASP A 27 4.406 -1.368 -6.753 1.00 -0.50 O ATOM 452 OD2 ASP A 27 6.156 -1.562 -5.397 1.00 -0.50 O ATOM 453 H ASP A 27 4.040 -5.845 -4.999 1.00 0.00 H ATOM 454 HA ASP A 27 3.999 -3.088 -3.913 1.00 0.00 H ATOM 455 HB2 ASP A 27 5.798 -4.006 -5.493 1.00 0.00 H ATOM 456 HB3 ASP A 27 4.566 -3.964 -6.788 1.00 0.00 H ATOM 457 N LYS A 28 2.072 -2.126 -5.473 1.00 0.00 N ATOM 458 CA LYS A 28 0.803 -1.788 -6.112 1.00 0.00 C ATOM 459 C LYS A 28 0.553 -2.681 -7.301 1.00 0.00 C ATOM 460 O LYS A 28 -0.573 -3.120 -7.462 1.00 0.00 O ATOM 461 CB LYS A 28 0.785 -0.322 -6.635 1.00 0.00 C ATOM 462 CG LYS A 28 0.132 0.652 -5.622 1.00 0.00 C ATOM 463 CD LYS A 28 -1.399 0.400 -5.496 1.00 0.00 C ATOM 464 CE LYS A 28 -2.242 1.684 -5.700 1.00 0.00 C ATOM 465 NZ LYS A 28 -2.099 2.267 -7.053 1.00 1.00 N ATOM 466 H LYS A 28 2.686 -1.386 -5.190 1.00 0.00 H ATOM 467 HA LYS A 28 -0.008 -1.953 -5.384 1.00 0.00 H ATOM 468 HB2 LYS A 28 1.811 0.005 -6.866 1.00 0.00 H ATOM 469 HB3 LYS A 28 0.212 -0.257 -7.573 1.00 0.00 H ATOM 470 HG2 LYS A 28 0.621 0.546 -4.641 1.00 0.00 H ATOM 471 HG3 LYS A 28 0.316 1.675 -5.981 1.00 0.00 H ATOM 472 HD2 LYS A 28 -1.746 -0.346 -6.227 1.00 0.00 H ATOM 473 HD3 LYS A 28 -1.614 -0.005 -4.497 1.00 0.00 H ATOM 474 HE2 LYS A 28 -3.298 1.408 -5.551 1.00 0.00 H ATOM 475 HE3 LYS A 28 -1.968 2.432 -4.940 1.00 0.00 H ATOM 476 HZ1 LYS A 28 -3.030 2.717 -7.378 1.00 0.00 H ATOM 477 HZ2 LYS A 28 -1.823 1.538 -7.802 1.00 0.00 H ATOM 478 HZ3 LYS A 28 -1.364 3.061 -7.077 1.00 0.00 H ATOM 479 N PHE A 29 1.592 -2.951 -8.127 1.00 0.00 N ATOM 480 CA PHE A 29 1.398 -3.779 -9.316 1.00 0.00 C ATOM 481 C PHE A 29 1.881 -5.188 -9.055 1.00 0.00 C ATOM 482 O PHE A 29 2.511 -5.774 -9.920 1.00 0.00 O ATOM 483 CB PHE A 29 2.107 -3.083 -10.513 1.00 0.00 C ATOM 484 CG PHE A 29 1.208 -3.086 -11.755 1.00 0.00 C ATOM 485 CD1 PHE A 29 1.176 -4.192 -12.606 1.00 0.00 C ATOM 486 CD2 PHE A 29 0.417 -1.971 -12.044 1.00 0.00 C ATOM 487 CE1 PHE A 29 0.369 -4.177 -13.746 1.00 0.00 C ATOM 488 CE2 PHE A 29 -0.379 -1.949 -13.191 1.00 0.00 C ATOM 489 CZ PHE A 29 -0.403 -3.053 -14.044 1.00 0.00 C ATOM 490 H PHE A 29 2.512 -2.602 -7.939 1.00 0.00 H ATOM 491 HA PHE A 29 0.326 -3.848 -9.570 1.00 0.00 H ATOM 492 HB2 PHE A 29 2.300 -2.029 -10.259 1.00 0.00 H ATOM 493 HB3 PHE A 29 3.082 -3.538 -10.736 1.00 0.00 H ATOM 494 HD1 PHE A 29 1.776 -5.069 -12.387 1.00 0.00 H ATOM 495 HD2 PHE A 29 0.411 -1.111 -11.383 1.00 0.00 H ATOM 496 HE1 PHE A 29 0.342 -5.041 -14.402 1.00 0.00 H ATOM 497 HE2 PHE A 29 -0.978 -1.072 -13.418 1.00 0.00 H ATOM 498 HZ PHE A 29 -1.022 -3.037 -14.934 1.00 0.00 H ATOM 499 N ASP A 30 1.597 -5.756 -7.860 1.00 0.00 N ATOM 500 CA ASP A 30 2.116 -7.079 -7.518 1.00 0.00 C ATOM 501 C ASP A 30 3.639 -7.147 -7.653 1.00 0.00 C ATOM 502 O ASP A 30 4.359 -6.989 -6.669 1.00 0.00 O ATOM 503 CB ASP A 30 1.375 -8.234 -8.242 1.00 0.00 C ATOM 504 CG ASP A 30 0.191 -8.759 -7.464 1.00 0.00 C ATOM 505 OD1 ASP A 30 -0.479 -7.962 -6.748 1.00 -0.50 O ATOM 506 OD2 ASP A 30 -0.075 -9.988 -7.564 1.00 -0.50 O ATOM 507 H ASP A 30 1.035 -5.289 -7.174 1.00 0.00 H ATOM 508 HA ASP A 30 1.934 -7.243 -6.444 1.00 0.00 H ATOM 509 HB2 ASP A 30 1.030 -7.888 -9.228 1.00 0.00 H ATOM 510 HB3 ASP A 30 2.083 -9.066 -8.384 1.00 0.00 H HETATM 511 N NH2 A 31 4.178 -7.384 -8.869 1.00 0.00 N HETATM 512 HN1 NH2 A 31 5.173 -7.432 -8.972 1.00 0.00 H HETATM 513 HN2 NH2 A 31 3.605 -7.502 -9.681 1.00 0.00 H TER 514 NH2 A 31 HETATM 515 C1 AQN A 32 1.412 1.693 7.751 1.00 0.00 C HETATM 516 C2 AQN A 32 0.222 1.800 8.476 1.00 0.00 C HETATM 517 C3 AQN A 32 -1.111 1.841 7.761 1.00 0.00 C HETATM 518 O3 AQN A 32 -1.148 1.833 6.541 1.00 0.00 O HETATM 519 C4 AQN A 32 -2.396 1.891 8.555 1.00 0.00 C HETATM 520 C5 AQN A 32 -3.632 1.931 7.905 1.00 0.00 C HETATM 521 C6 AQN A 32 -4.818 1.888 8.639 1.00 0.00 C HETATM 522 C7 AQN A 32 -4.772 1.876 10.034 1.00 0.00 C HETATM 523 C8 AQN A 32 -3.541 1.896 10.689 1.00 0.00 C HETATM 524 C9 AQN A 32 -2.353 1.898 9.953 1.00 0.00 C HETATM 525 C10 AQN A 32 -1.022 1.909 10.666 1.00 0.00 C HETATM 526 O10 AQN A 32 -0.984 1.950 11.886 1.00 0.00 O HETATM 527 C11 AQN A 32 0.263 1.872 9.871 1.00 0.00 C HETATM 528 C12 AQN A 32 1.496 1.909 10.527 1.00 0.00 C HETATM 529 C13 AQN A 32 2.683 1.851 9.796 1.00 0.00 C HETATM 530 C14 AQN A 32 2.647 1.721 8.406 1.00 0.00 C HETATM 531 S15 AQN A 32 4.156 1.626 7.468 1.00 0.00 S HETATM 532 OS1 AQN A 32 3.943 0.716 6.365 1.00 0.00 O HETATM 533 OS2 AQN A 32 4.259 3.023 6.925 1.00 -1.00 O HETATM 534 OS3 AQN A 32 5.267 1.398 8.372 1.00 0.00 O HETATM 535 H1 AQN A 32 1.382 1.586 6.670 1.00 0.00 H HETATM 536 H5 AQN A 32 -3.683 2.000 6.826 1.00 0.00 H HETATM 537 H6 AQN A 32 -5.773 1.867 8.125 1.00 0.00 H HETATM 538 H7 AQN A 32 -5.691 1.854 10.610 1.00 0.00 H HETATM 539 H8 AQN A 32 -3.513 1.910 11.774 1.00 0.00 H HETATM 540 H12 AQN A 32 1.540 1.982 11.608 1.00 0.00 H HETATM 541 H13 AQN A 32 3.634 1.907 10.314 1.00 0.00 H HETATM 542 ZN ZN A 33 -0.750 -6.778 1.047 1.00 2.00 ZN