Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
527079 | 2lk1 RC | 17970 | cing | 3-converted-DOCR | XPLOR/CNS | coordinate | ensemble |
ATOM 1 C ACE A 0 -0.423 15.211 2.309 1.00 0.00 A ATOM 2 CH3 ACE A 0 0.663 16.137 2.803 1.00 0.00 A ATOM 3 H1 ACE A 0 0.709 17.024 2.171 1.00 0.00 A ATOM 4 H2 ACE A 0 1.627 15.630 2.773 1.00 0.00 A ATOM 5 H3 ACE A 0 0.444 16.425 3.831 1.00 0.00 A ATOM 6 O ACE A 0 -1.368 14.911 3.054 1.00 0.00 A ATOM 7 C LYS A 1 -0.969 12.452 0.901 1.00 0.00 A ATOM 8 CA LYS A 1 -1.253 13.869 0.468 1.00 0.00 A ATOM 9 CB LYS A 1 -1.270 13.993 -1.080 1.00 0.00 A ATOM 10 CD LYS A 1 -3.173 13.701 -2.818 1.00 0.00 A ATOM 11 CE LYS A 1 -2.345 14.143 -4.052 1.00 0.00 A ATOM 12 CG LYS A 1 -2.317 13.028 -1.715 1.00 0.00 A ATOM 13 HN LYS A 1 0.534 15.034 0.504 1.00 0.00 A ATOM 14 HA LYS A 1 -2.261 14.169 0.801 1.00 0.00 A ATOM 15 HB2 LYS A 1 -1.521 15.044 -1.299 1.00 0.00 A ATOM 16 HB1 LYS A 1 -0.274 13.783 -1.506 1.00 0.00 A ATOM 17 HD2 LYS A 1 -3.943 12.988 -3.158 1.00 0.00 A ATOM 18 HD1 LYS A 1 -3.682 14.572 -2.371 1.00 0.00 A ATOM 19 HE2 LYS A 1 -1.543 14.829 -3.738 1.00 0.00 A ATOM 20 HE1 LYS A 1 -1.883 13.258 -4.521 1.00 0.00 A ATOM 21 HG2 LYS A 1 -1.812 12.137 -2.126 1.00 0.00 A ATOM 22 HG1 LYS A 1 -3.023 12.692 -0.939 1.00 0.00 A ATOM 23 HZ1 LYS A 1 -2.596 15.352 -5.769 1.00 0.00 A ATOM 24 HZ2 LYS A 1 -3.841 15.579 -4.585 1.00 0.00 A ATOM 25 HZ3 LYS A 1 -3.833 14.132 -5.578 1.00 0.00 A ATOM 26 N LYS A 1 -0.264 14.770 1.049 1.00 0.00 A ATOM 27 NZ LYS A 1 -3.205 14.832 -5.042 1.00 0.00 A ATOM 28 O LYS A 1 -0.274 11.749 0.184 1.00 0.00 A ATOM 29 C PHE A 2 -2.573 9.841 1.832 1.00 0.00 A ATOM 30 CA PHE A 2 -1.416 10.606 2.433 1.00 0.00 A ATOM 31 CB PHE A 2 -1.383 10.440 3.975 1.00 0.00 A ATOM 32 CD1 PHE A 2 1.125 10.448 4.351 1.00 0.00 A ATOM 33 CD2 PHE A 2 -0.177 12.215 5.359 1.00 0.00 A ATOM 34 CE1 PHE A 2 2.287 10.982 4.918 1.00 0.00 A ATOM 35 CE2 PHE A 2 0.978 12.730 5.950 1.00 0.00 A ATOM 36 CG PHE A 2 -0.115 11.057 4.574 1.00 0.00 A ATOM 37 CZ PHE A 2 2.213 12.111 5.727 1.00 0.00 A ATOM 38 HN PHE A 2 -2.078 12.618 2.629 1.00 0.00 A ATOM 39 HA PHE A 2 -0.491 10.158 2.036 1.00 0.00 A ATOM 40 HB2 PHE A 2 -2.287 10.887 4.418 1.00 0.00 A ATOM 41 HB1 PHE A 2 -1.371 9.371 4.232 1.00 0.00 A ATOM 42 HD1 PHE A 2 1.194 9.554 3.742 1.00 0.00 A ATOM 43 HD2 PHE A 2 -1.124 12.720 5.520 1.00 0.00 A ATOM 44 HE1 PHE A 2 3.246 10.509 4.727 1.00 0.00 A ATOM 45 HE2 PHE A 2 0.921 13.609 6.581 1.00 0.00 A ATOM 46 HZ PHE A 2 3.111 12.514 6.186 1.00 0.00 A ATOM 47 N PHE A 2 -1.522 12.013 2.055 1.00 0.00 A ATOM 48 O PHE A 2 -3.359 9.257 2.559 1.00 0.00 A ATOM 49 C GLU A 3 -3.192 7.584 -0.131 1.00 0.00 A ATOM 50 CA GLU A 3 -3.685 9.010 -0.182 1.00 0.00 A ATOM 51 CB GLU A 3 -3.858 9.477 -1.651 1.00 0.00 A ATOM 52 CD GLU A 3 -4.661 8.732 -3.876 1.00 0.00 A ATOM 53 CG GLU A 3 -4.950 8.671 -2.399 1.00 0.00 A ATOM 54 HN GLU A 3 -2.025 10.329 -0.079 1.00 0.00 A ATOM 55 HA GLU A 3 -4.660 9.110 0.319 1.00 0.00 A ATOM 56 HB2 GLU A 3 -4.137 10.542 -1.669 1.00 0.00 A ATOM 57 HB1 GLU A 3 -2.903 9.367 -2.181 1.00 0.00 A ATOM 58 HG2 GLU A 3 -4.960 7.615 -2.091 1.00 0.00 A ATOM 59 HG1 GLU A 3 -5.943 9.097 -2.187 1.00 0.00 A ATOM 60 N GLU A 3 -2.678 9.830 0.484 1.00 0.00 A ATOM 61 O GLU A 3 -2.651 7.086 -1.105 1.00 0.00 A ATOM 62 OE1 GLU A 3 -4.626 9.863 -4.431 1.00 0.00 A ATOM 63 OE2 GLU A 3 -4.453 7.646 -4.486 1.00 0.00 A ATOM 64 C ASP A 4 -3.465 4.640 0.102 1.00 0.00 A ATOM 65 CA ASP A 4 -2.869 5.541 1.161 1.00 0.00 A ATOM 66 CB ASP A 4 -3.223 5.027 2.576 1.00 0.00 A ATOM 67 CG ASP A 4 -2.664 5.902 3.667 1.00 0.00 A ATOM 68 HN ASP A 4 -3.840 7.336 1.794 1.00 0.00 A ATOM 69 HA ASP A 4 -1.774 5.546 1.045 1.00 0.00 A ATOM 70 HB2 ASP A 4 -4.319 5.002 2.659 1.00 0.00 A ATOM 71 HB1 ASP A 4 -2.831 4.014 2.730 1.00 0.00 A ATOM 72 N ASP A 4 -3.374 6.903 1.020 1.00 0.00 A ATOM 73 O ASP A 4 -4.417 5.056 -0.540 1.00 0.00 A ATOM 74 OD1 ASP A 4 -1.981 6.911 3.340 1.00 0.00 A ATOM 75 OD2 ASP A 4 -2.907 5.584 4.862 1.00 0.00 A ATOM 76 C TRP A 5 -3.666 1.161 -0.571 1.00 0.00 A ATOM 77 CA TRP A 5 -3.404 2.523 -1.146 1.00 0.00 A ATOM 78 CB TRP A 5 -2.378 2.384 -2.295 1.00 0.00 A ATOM 79 CD1 TRP A 5 -0.122 2.976 -1.351 1.00 0.00 A ATOM 80 CD2 TRP A 5 -0.355 0.709 -1.605 1.00 0.00 A ATOM 81 CE2 TRP A 5 0.903 1.048 -1.141 1.00 0.00 A ATOM 82 CE3 TRP A 5 -0.731 -0.609 -1.837 1.00 0.00 A ATOM 83 CG TRP A 5 -1.010 2.061 -1.763 1.00 0.00 A ATOM 84 CH2 TRP A 5 1.568 -1.226 -1.295 1.00 0.00 A ATOM 85 CZ2 TRP A 5 1.893 0.086 -0.941 1.00 0.00 A ATOM 86 CZ3 TRP A 5 0.274 -1.576 -1.700 1.00 0.00 A ATOM 87 HN TRP A 5 -2.156 3.098 0.476 1.00 0.00 A ATOM 88 HA TRP A 5 -4.350 2.890 -1.575 1.00 0.00 A ATOM 89 HB2 TRP A 5 -2.681 1.616 -3.024 1.00 0.00 A ATOM 90 HB1 TRP A 5 -2.327 3.352 -2.815 1.00 0.00 A ATOM 91 HD1 TRP A 5 -0.346 4.035 -1.360 1.00 0.00 A ATOM 92 HE1 TRP A 5 1.813 2.876 -0.619 1.00 0.00 A ATOM 93 HE3 TRP A 5 -1.742 -0.866 -2.121 1.00 0.00 A ATOM 94 HH2 TRP A 5 2.329 -1.994 -1.273 1.00 0.00 A ATOM 95 HZ2 TRP A 5 2.868 0.343 -0.544 1.00 0.00 A ATOM 96 HZ3 TRP A 5 0.078 -2.615 -1.919 1.00 0.00 A ATOM 97 N TRP A 5 -2.918 3.417 -0.094 1.00 0.00 A ATOM 98 NE1 TRP A 5 0.981 2.382 -0.974 1.00 0.00 A ATOM 99 O TRP A 5 -3.135 0.880 0.491 1.00 0.00 A ATOM 100 C LEU A 6 -4.202 -2.040 -1.483 1.00 0.00 A ATOM 101 CA LEU A 6 -4.897 -0.945 -0.714 1.00 0.00 A ATOM 102 CB LEU A 6 -6.446 -1.029 -0.806 1.00 0.00 A ATOM 103 CD1 LEU A 6 -7.987 -1.034 1.239 1.00 0.00 A ATOM 104 CD2 LEU A 6 -7.928 -3.049 -0.293 1.00 0.00 A ATOM 105 CG LEU A 6 -7.090 -1.902 0.316 1.00 0.00 A ATOM 106 HN LEU A 6 -4.846 0.591 -2.168 1.00 0.00 A ATOM 107 HA LEU A 6 -4.614 -0.988 0.342 1.00 0.00 A ATOM 108 HB2 LEU A 6 -6.827 0.000 -0.706 1.00 0.00 A ATOM 109 HB1 LEU A 6 -6.734 -1.381 -1.809 1.00 0.00 A ATOM 110 HD11 LEU A 6 -8.402 -1.644 2.056 1.00 0.00 A ATOM 111 HD12 LEU A 6 -8.822 -0.600 0.665 1.00 0.00 A ATOM 112 HD13 LEU A 6 -7.397 -0.216 1.683 1.00 0.00 A ATOM 113 HD21 LEU A 6 -8.734 -2.650 -0.928 1.00 0.00 A ATOM 114 HD22 LEU A 6 -8.375 -3.630 0.524 1.00 0.00 A ATOM 115 HD23 LEU A 6 -7.283 -3.707 -0.895 1.00 0.00 A ATOM 116 HG LEU A 6 -6.322 -2.378 0.948 1.00 0.00 A ATOM 117 N LEU A 6 -4.483 0.337 -1.268 1.00 0.00 A ATOM 118 O LEU A 6 -4.364 -2.095 -2.692 1.00 0.00 A ATOM 119 C CYS A 7 -3.615 -4.827 -2.267 1.00 0.00 A ATOM 120 CA CYS A 7 -2.655 -3.916 -1.551 1.00 0.00 A ATOM 121 CB CYS A 7 -1.736 -4.675 -0.555 1.00 0.00 A ATOM 122 HN CYS A 7 -3.301 -2.865 0.182 1.00 0.00 A ATOM 123 HA CYS A 7 -2.043 -3.405 -2.307 1.00 0.00 A ATOM 124 HB2 CYS A 7 -1.076 -3.959 -0.053 1.00 0.00 A ATOM 125 HB1 CYS A 7 -2.354 -5.190 0.188 1.00 0.00 A ATOM 126 N CYS A 7 -3.408 -2.907 -0.813 1.00 0.00 A ATOM 127 O CYS A 7 -4.719 -4.993 -1.775 1.00 0.00 A ATOM 128 SG CYS A 7 -0.592 -5.891 -1.261 1.00 0.00 A ATOM 129 C ASN A 8 -3.627 -7.740 -3.944 1.00 0.00 A ATOM 130 CA ASN A 8 -4.097 -6.316 -4.149 1.00 0.00 A ATOM 131 CB ASN A 8 -4.107 -5.896 -5.645 1.00 0.00 A ATOM 132 CG ASN A 8 -5.503 -5.950 -6.210 1.00 0.00 A ATOM 133 HN ASN A 8 -2.283 -5.281 -3.783 1.00 0.00 A ATOM 134 HA ASN A 8 -5.129 -6.253 -3.768 1.00 0.00 A ATOM 135 HB2 ASN A 8 -3.767 -4.851 -5.737 1.00 0.00 A ATOM 136 HB1 ASN A 8 -3.415 -6.515 -6.239 1.00 0.00 A ATOM 137 HD21 ASN A 8 -6.079 -4.223 -5.255 1.00 0.00 A ATOM 138 HD22 ASN A 8 -7.292 -4.974 -6.228 1.00 0.00 A ATOM 139 N ASN A 8 -3.209 -5.412 -3.420 1.00 0.00 A ATOM 140 ND2 ASN A 8 -6.361 -4.966 -5.865 1.00 0.00 A ATOM 141 O ASN A 8 -3.718 -8.555 -4.849 1.00 0.00 A ATOM 142 OD1 ASN A 8 -5.819 -6.871 -6.946 1.00 0.00 A ATOM 143 C LYS A 9 -2.965 -9.704 -1.041 1.00 0.00 A ATOM 144 CA LYS A 9 -2.490 -9.311 -2.426 1.00 0.00 A ATOM 145 CB LYS A 9 -0.953 -9.101 -2.566 1.00 0.00 A ATOM 146 CD LYS A 9 0.016 -11.493 -2.501 1.00 0.00 A ATOM 147 CE LYS A 9 0.748 -12.563 -3.353 1.00 0.00 A ATOM 148 CG LYS A 9 -0.204 -10.214 -3.347 1.00 0.00 A ATOM 149 HN LYS A 9 -3.071 -7.327 -2.022 1.00 0.00 A ATOM 150 HA LYS A 9 -2.829 -10.079 -3.140 1.00 0.00 A ATOM 151 HB2 LYS A 9 -0.799 -8.176 -3.150 1.00 0.00 A ATOM 152 HB1 LYS A 9 -0.482 -8.964 -1.582 1.00 0.00 A ATOM 153 HD2 LYS A 9 0.636 -11.236 -1.627 1.00 0.00 A ATOM 154 HD1 LYS A 9 -0.948 -11.892 -2.149 1.00 0.00 A ATOM 155 HE2 LYS A 9 0.045 -12.973 -4.097 1.00 0.00 A ATOM 156 HE1 LYS A 9 1.596 -12.108 -3.889 1.00 0.00 A ATOM 157 HG2 LYS A 9 -0.744 -10.450 -4.281 1.00 0.00 A ATOM 158 HG1 LYS A 9 0.790 -9.821 -3.618 1.00 0.00 A ATOM 159 HZ1 LYS A 9 1.722 -14.422 -3.134 1.00 0.00 A ATOM 160 HZ2 LYS A 9 0.497 -14.111 -1.920 1.00 0.00 A ATOM 161 HZ3 LYS A 9 2.051 -13.295 -1.845 1.00 0.00 A ATOM 162 N LYS A 9 -3.109 -8.024 -2.728 1.00 0.00 A ATOM 163 NZ LYS A 9 1.279 -13.654 -2.513 1.00 0.00 A ATOM 164 O LYS A 9 -3.606 -10.739 -0.938 1.00 0.00 A ATOM 165 C CYS A 10 -4.341 -8.102 1.711 1.00 0.00 A ATOM 166 CA CYS A 10 -3.268 -9.110 1.337 1.00 0.00 A ATOM 167 CB CYS A 10 -2.134 -9.041 2.386 1.00 0.00 A ATOM 168 HN CYS A 10 -2.129 -8.069 -0.103 1.00 0.00 A ATOM 169 HA CYS A 10 -3.725 -10.110 1.402 1.00 0.00 A ATOM 170 HB2 CYS A 10 -2.526 -9.294 3.381 1.00 0.00 A ATOM 171 HB1 CYS A 10 -1.342 -9.761 2.129 1.00 0.00 A ATOM 172 N CYS A 10 -2.696 -8.882 0.007 1.00 0.00 A ATOM 173 O CYS A 10 -4.798 -8.161 2.842 1.00 0.00 A ATOM 174 SG CYS A 10 -1.478 -7.340 2.401 1.00 0.00 A ATOM 175 C CYS A 11 -5.697 -5.385 2.310 1.00 0.00 A ATOM 176 CA CYS A 11 -5.913 -6.317 1.135 1.00 0.00 A ATOM 177 CB CYS A 11 -7.159 -7.225 1.325 1.00 0.00 A ATOM 178 HN CYS A 11 -4.403 -7.117 -0.102 1.00 0.00 A ATOM 179 HA CYS A 11 -6.103 -5.670 0.266 1.00 0.00 A ATOM 180 HB2 CYS A 11 -7.072 -8.102 0.667 1.00 0.00 A ATOM 181 HB1 CYS A 11 -7.239 -7.569 2.368 1.00 0.00 A ATOM 182 HG CYS A 11 -8.530 -6.292 -0.103 1.00 0.00 A ATOM 183 N CYS A 11 -4.779 -7.184 0.818 1.00 0.00 A ATOM 184 O CYS A 11 -6.678 -5.021 2.941 1.00 0.00 A ATOM 185 SG CYS A 11 -8.707 -6.378 0.886 1.00 0.00 A ATOM 186 C LEU A 12 -3.916 -2.708 3.274 1.00 0.00 A ATOM 187 CA LEU A 12 -4.164 -4.122 3.762 1.00 0.00 A ATOM 188 CB LEU A 12 -2.901 -4.680 4.473 1.00 0.00 A ATOM 189 CD1 LEU A 12 -1.344 -4.798 6.451 1.00 0.00 A ATOM 190 CD2 LEU A 12 -2.639 -2.692 6.148 1.00 0.00 A ATOM 191 CG LEU A 12 -2.689 -4.228 5.948 1.00 0.00 A ATOM 192 HN LEU A 12 -3.664 -5.277 2.059 1.00 0.00 A ATOM 193 HA LEU A 12 -4.988 -4.179 4.491 1.00 0.00 A ATOM 194 HB2 LEU A 12 -3.015 -5.775 4.487 1.00 0.00 A ATOM 195 HB1 LEU A 12 -2.005 -4.442 3.880 1.00 0.00 A ATOM 196 HD11 LEU A 12 -0.504 -4.258 5.986 1.00 0.00 A ATOM 197 HD12 LEU A 12 -1.284 -5.853 6.171 1.00 0.00 A ATOM 198 HD13 LEU A 12 -1.261 -4.713 7.544 1.00 0.00 A ATOM 199 HD21 LEU A 12 -1.980 -2.243 5.388 1.00 0.00 A ATOM 200 HD22 LEU A 12 -2.246 -2.447 7.149 1.00 0.00 A ATOM 201 HD23 LEU A 12 -3.643 -2.255 6.084 1.00 0.00 A ATOM 202 HG LEU A 12 -3.499 -4.643 6.569 1.00 0.00 A ATOM 203 N LEU A 12 -4.438 -4.986 2.613 1.00 0.00 A ATOM 204 O LEU A 12 -3.105 -2.534 2.379 1.00 0.00 A ATOM 205 C ASN A 13 -2.855 0.100 3.922 1.00 0.00 A ATOM 206 CA ASN A 13 -4.267 -0.295 3.520 1.00 0.00 A ATOM 207 CB ASN A 13 -5.263 0.616 4.282 1.00 0.00 A ATOM 208 CG ASN A 13 -5.031 2.067 3.952 1.00 0.00 A ATOM 209 HN ASN A 13 -5.313 -1.866 4.514 1.00 0.00 A ATOM 210 HA ASN A 13 -4.434 -0.137 2.449 1.00 0.00 A ATOM 211 HB2 ASN A 13 -6.290 0.361 3.983 1.00 0.00 A ATOM 212 HB1 ASN A 13 -5.162 0.438 5.364 1.00 0.00 A ATOM 213 HD21 ASN A 13 -5.522 2.719 5.836 1.00 0.00 A ATOM 214 HD22 ASN A 13 -5.080 3.956 4.727 1.00 0.00 A ATOM 215 N ASN A 13 -4.585 -1.685 3.851 1.00 0.00 A ATOM 216 ND2 ASN A 13 -5.226 2.987 4.921 1.00 0.00 A ATOM 217 O ASN A 13 -2.629 0.192 5.119 1.00 0.00 A ATOM 218 OD1 ASN A 13 -4.687 2.363 2.818 1.00 0.00 A ATOM 219 C ASN A 14 -0.298 2.201 2.986 1.00 0.00 A ATOM 220 CA ASN A 14 -0.547 0.759 3.349 1.00 0.00 A ATOM 221 CB ASN A 14 0.519 -0.088 2.613 1.00 0.00 A ATOM 222 CG ASN A 14 0.186 -1.537 2.851 1.00 0.00 A ATOM 223 HN ASN A 14 -2.124 0.317 2.002 1.00 0.00 A ATOM 224 HA ASN A 14 -0.380 0.615 4.429 1.00 0.00 A ATOM 225 HB2 ASN A 14 0.513 0.157 1.540 1.00 0.00 A ATOM 226 HB1 ASN A 14 1.522 0.147 3.006 1.00 0.00 A ATOM 227 HD21 ASN A 14 -0.970 -1.688 1.165 1.00 0.00 A ATOM 228 HD22 ASN A 14 -0.916 -3.097 2.144 1.00 0.00 A ATOM 229 N ASN A 14 -1.911 0.360 2.977 1.00 0.00 A ATOM 230 ND2 ASN A 14 -0.624 -2.160 1.972 1.00 0.00 A ATOM 231 O ASN A 14 -0.904 2.667 2.035 1.00 0.00 A ATOM 232 OD1 ASN A 14 0.644 -2.097 3.833 1.00 0.00 A ATOM 233 C PHE A 15 1.180 4.620 2.022 1.00 0.00 A ATOM 234 CA PHE A 15 0.782 4.341 3.448 1.00 0.00 A ATOM 235 CB PHE A 15 1.865 4.994 4.352 1.00 0.00 A ATOM 236 CD1 PHE A 15 0.373 6.449 5.791 1.00 0.00 A ATOM 237 CD2 PHE A 15 1.698 4.757 6.891 1.00 0.00 A ATOM 238 CE1 PHE A 15 -0.201 6.802 7.011 1.00 0.00 A ATOM 239 CE2 PHE A 15 1.140 5.121 8.116 1.00 0.00 A ATOM 240 CG PHE A 15 1.297 5.400 5.715 1.00 0.00 A ATOM 241 CZ PHE A 15 0.175 6.130 8.177 1.00 0.00 A ATOM 242 HN PHE A 15 1.089 2.502 4.482 1.00 0.00 A ATOM 243 HA PHE A 15 -0.189 4.823 3.632 1.00 0.00 A ATOM 244 HB2 PHE A 15 2.732 4.325 4.443 1.00 0.00 A ATOM 245 HB1 PHE A 15 2.220 5.933 3.905 1.00 0.00 A ATOM 246 HD1 PHE A 15 0.102 6.998 4.896 1.00 0.00 A ATOM 247 HD2 PHE A 15 2.452 3.981 6.850 1.00 0.00 A ATOM 248 HE1 PHE A 15 -0.936 7.598 7.056 1.00 0.00 A ATOM 249 HE2 PHE A 15 1.455 4.625 9.028 1.00 0.00 A ATOM 250 HZ PHE A 15 -0.279 6.393 9.126 1.00 0.00 A ATOM 251 N PHE A 15 0.592 2.916 3.718 1.00 0.00 A ATOM 252 O PHE A 15 1.683 3.739 1.343 1.00 0.00 A ATOM 253 C ARG A 16 2.892 6.370 0.163 1.00 0.00 A ATOM 254 CA ARG A 16 1.395 6.269 0.240 1.00 0.00 A ATOM 255 CB ARG A 16 0.717 7.593 -0.189 1.00 0.00 A ATOM 256 CD ARG A 16 0.058 8.881 -2.275 1.00 0.00 A ATOM 257 CG ARG A 16 1.162 8.025 -1.611 1.00 0.00 A ATOM 258 CZ ARG A 16 1.199 10.714 -3.435 1.00 0.00 A ATOM 259 HN ARG A 16 0.542 6.575 2.161 1.00 0.00 A ATOM 260 HA ARG A 16 1.097 5.496 -0.474 1.00 0.00 A ATOM 261 HB2 ARG A 16 -0.365 7.410 -0.165 1.00 0.00 A ATOM 262 HB1 ARG A 16 0.948 8.402 0.522 1.00 0.00 A ATOM 263 HD2 ARG A 16 -0.735 8.187 -2.595 1.00 0.00 A ATOM 264 HD1 ARG A 16 -0.404 9.583 -1.571 1.00 0.00 A ATOM 265 HE ARG A 16 0.326 9.141 -4.378 1.00 0.00 A ATOM 266 HG2 ARG A 16 2.106 8.589 -1.539 1.00 0.00 A ATOM 267 HG1 ARG A 16 1.333 7.148 -2.259 1.00 0.00 A ATOM 268 HH11 ARG A 16 1.317 10.957 -1.402 1.00 0.00 A ATOM 269 HH12 ARG A 16 2.033 12.239 -2.364 1.00 0.00 A ATOM 270 HH21 ARG A 16 1.305 10.815 -5.476 1.00 0.00 A ATOM 271 HH22 ARG A 16 2.048 12.158 -4.608 1.00 0.00 A ATOM 272 N ARG A 16 0.965 5.880 1.578 1.00 0.00 A ATOM 273 NE ARG A 16 0.549 9.570 -3.465 1.00 0.00 A ATOM 274 NH1 ARG A 16 1.532 11.339 -2.329 1.00 0.00 A ATOM 275 NH2 ARG A 16 1.540 11.263 -4.577 1.00 0.00 A ATOM 276 O ARG A 16 3.455 5.902 -0.815 1.00 0.00 A ATOM 277 C LYS A 17 5.575 5.654 0.868 1.00 0.00 A ATOM 278 CA LYS A 17 5.004 7.026 1.153 1.00 0.00 A ATOM 279 CB LYS A 17 5.584 7.608 2.474 1.00 0.00 A ATOM 280 CD LYS A 17 6.043 7.203 4.965 1.00 0.00 A ATOM 281 CE LYS A 17 6.580 6.158 5.979 1.00 0.00 A ATOM 282 CG LYS A 17 5.688 6.552 3.605 1.00 0.00 A ATOM 283 HN LYS A 17 3.049 7.354 1.965 1.00 0.00 A ATOM 284 HA LYS A 17 5.277 7.708 0.333 1.00 0.00 A ATOM 285 HB2 LYS A 17 6.606 7.968 2.268 1.00 0.00 A ATOM 286 HB1 LYS A 17 4.981 8.469 2.806 1.00 0.00 A ATOM 287 HD2 LYS A 17 6.791 7.999 4.832 1.00 0.00 A ATOM 288 HD1 LYS A 17 5.121 7.655 5.366 1.00 0.00 A ATOM 289 HE2 LYS A 17 6.456 6.561 6.998 1.00 0.00 A ATOM 290 HE1 LYS A 17 5.998 5.225 5.903 1.00 0.00 A ATOM 291 HG2 LYS A 17 4.736 6.020 3.733 1.00 0.00 A ATOM 292 HG1 LYS A 17 6.467 5.829 3.321 1.00 0.00 A ATOM 293 HZ1 LYS A 17 8.259 5.495 4.807 1.00 0.00 A ATOM 294 HZ2 LYS A 17 8.362 5.153 6.509 1.00 0.00 A ATOM 295 HZ3 LYS A 17 8.613 6.773 5.929 1.00 0.00 A ATOM 296 N LYS A 17 3.547 6.962 1.187 1.00 0.00 A ATOM 297 NZ LYS A 17 8.019 5.882 5.787 1.00 0.00 A ATOM 298 O LYS A 17 6.587 5.562 0.192 1.00 0.00 A ATOM 299 C ARG A 18 5.149 2.813 -0.245 1.00 0.00 A ATOM 300 CA ARG A 18 5.458 3.241 1.170 1.00 0.00 A ATOM 301 CB ARG A 18 4.829 2.253 2.189 1.00 0.00 A ATOM 302 CD ARG A 18 6.671 1.440 3.794 1.00 0.00 A ATOM 303 CG ARG A 18 5.490 2.436 3.582 1.00 0.00 A ATOM 304 CZ ARG A 18 8.821 1.274 4.949 1.00 0.00 A ATOM 305 HN ARG A 18 4.081 4.680 1.904 1.00 0.00 A ATOM 306 HA ARG A 18 6.545 3.238 1.351 1.00 0.00 A ATOM 307 HB2 ARG A 18 3.741 2.400 2.254 1.00 0.00 A ATOM 308 HB1 ARG A 18 4.992 1.228 1.844 1.00 0.00 A ATOM 309 HD2 ARG A 18 6.243 0.538 4.255 1.00 0.00 A ATOM 310 HD1 ARG A 18 7.124 1.178 2.824 1.00 0.00 A ATOM 311 HE ARG A 18 7.714 2.969 4.878 1.00 0.00 A ATOM 312 HG2 ARG A 18 5.812 3.482 3.674 1.00 0.00 A ATOM 313 HG1 ARG A 18 4.731 2.269 4.358 1.00 0.00 A ATOM 314 HH11 ARG A 18 8.257 -0.528 4.149 1.00 0.00 A ATOM 315 HH12 ARG A 18 9.816 -0.510 4.963 1.00 0.00 A ATOM 316 HH21 ARG A 18 9.730 2.877 5.835 1.00 0.00 A ATOM 317 HH22 ARG A 18 10.634 1.362 5.888 1.00 0.00 A ATOM 318 N ARG A 18 4.934 4.583 1.388 1.00 0.00 A ATOM 319 NE ARG A 18 7.766 1.979 4.600 1.00 0.00 A ATOM 320 NH1 ARG A 18 8.970 0.001 4.666 1.00 0.00 A ATOM 321 NH2 ARG A 18 9.786 1.874 5.604 1.00 0.00 A ATOM 322 O ARG A 18 3.985 2.634 -0.566 1.00 0.00 A ATOM 323 C LEU A 19 5.553 0.634 -2.288 1.00 0.00 A ATOM 324 CA LEU A 19 5.964 2.083 -2.422 1.00 0.00 A ATOM 325 CB LEU A 19 7.274 2.150 -3.255 1.00 0.00 A ATOM 326 CD1 LEU A 19 9.228 3.734 -3.718 1.00 0.00 A ATOM 327 CD2 LEU A 19 7.006 4.118 -4.877 1.00 0.00 A ATOM 328 CG LEU A 19 7.689 3.615 -3.577 1.00 0.00 A ATOM 329 HN LEU A 19 7.132 2.824 -0.806 1.00 0.00 A ATOM 330 HA LEU A 19 5.165 2.639 -2.936 1.00 0.00 A ATOM 331 HB2 LEU A 19 8.062 1.645 -2.676 1.00 0.00 A ATOM 332 HB1 LEU A 19 7.146 1.591 -4.194 1.00 0.00 A ATOM 333 HD11 LEU A 19 9.509 4.768 -3.971 1.00 0.00 A ATOM 334 HD12 LEU A 19 9.593 3.061 -4.507 1.00 0.00 A ATOM 335 HD13 LEU A 19 9.718 3.470 -2.768 1.00 0.00 A ATOM 336 HD21 LEU A 19 7.355 3.534 -5.743 1.00 0.00 A ATOM 337 HD22 LEU A 19 7.255 5.177 -5.047 1.00 0.00 A ATOM 338 HD23 LEU A 19 5.911 4.026 -4.807 1.00 0.00 A ATOM 339 HG LEU A 19 7.387 4.284 -2.755 1.00 0.00 A ATOM 340 N LEU A 19 6.188 2.644 -1.094 1.00 0.00 A ATOM 341 O LEU A 19 4.783 0.183 -3.121 1.00 0.00 A ATOM 342 C LYS A 20 4.825 -1.777 0.036 1.00 0.00 A ATOM 343 CA LYS A 20 5.754 -1.517 -1.118 1.00 0.00 A ATOM 344 CB LYS A 20 7.043 -2.355 -0.922 1.00 0.00 A ATOM 345 CD LYS A 20 8.985 -3.550 -2.001 1.00 0.00 A ATOM 346 CE LYS A 20 9.415 -4.441 -3.192 1.00 0.00 A ATOM 347 CG LYS A 20 7.659 -2.794 -2.273 1.00 0.00 A ATOM 348 HN LYS A 20 6.671 0.311 -0.576 1.00 0.00 A ATOM 349 HA LYS A 20 5.215 -1.883 -1.995 1.00 0.00 A ATOM 350 HB2 LYS A 20 7.777 -1.788 -0.327 1.00 0.00 A ATOM 351 HB1 LYS A 20 6.793 -3.272 -0.368 1.00 0.00 A ATOM 352 HD2 LYS A 20 9.776 -2.816 -1.774 1.00 0.00 A ATOM 353 HD1 LYS A 20 8.857 -4.202 -1.122 1.00 0.00 A ATOM 354 HE2 LYS A 20 8.575 -5.080 -3.512 1.00 0.00 A ATOM 355 HE1 LYS A 20 9.718 -3.807 -4.040 1.00 0.00 A ATOM 356 HG2 LYS A 20 6.944 -3.469 -2.770 1.00 0.00 A ATOM 357 HG1 LYS A 20 7.838 -1.924 -2.927 1.00 0.00 A ATOM 358 HZ1 LYS A 20 10.856 -5.934 -3.618 1.00 0.00 A ATOM 359 HZ2 LYS A 20 10.234 -5.994 -1.992 1.00 0.00 A ATOM 360 HZ3 LYS A 20 11.378 -4.749 -2.440 1.00 0.00 A ATOM 361 N LYS A 20 6.068 -0.096 -1.265 1.00 0.00 A ATOM 362 NZ LYS A 20 10.531 -5.323 -2.788 1.00 0.00 A ATOM 363 O LYS A 20 4.683 -0.934 0.903 1.00 0.00 A ATOM 364 C CYS A 21 4.007 -3.461 2.393 1.00 0.00 A ATOM 365 CA CYS A 21 3.235 -3.251 1.117 1.00 0.00 A ATOM 366 CB CYS A 21 2.432 -4.518 0.742 1.00 0.00 A ATOM 367 HN CYS A 21 4.339 -3.662 -0.652 1.00 0.00 A ATOM 368 HA CYS A 21 2.540 -2.405 1.237 1.00 0.00 A ATOM 369 HB2 CYS A 21 1.898 -4.384 -0.209 1.00 0.00 A ATOM 370 HB1 CYS A 21 3.109 -5.378 0.659 1.00 0.00 A ATOM 371 N CYS A 21 4.185 -2.966 0.054 1.00 0.00 A ATOM 372 O CYS A 21 5.162 -3.847 2.310 1.00 0.00 A ATOM 373 SG CYS A 21 1.200 -4.859 2.024 1.00 0.00 A ATOM 374 C PHE A 22 3.474 -4.668 5.502 1.00 0.00 A ATOM 375 CA PHE A 22 4.054 -3.441 4.842 1.00 0.00 A ATOM 376 CB PHE A 22 3.908 -2.134 5.657 1.00 0.00 A ATOM 377 CD1 PHE A 22 6.142 -2.168 6.880 1.00 0.00 A ATOM 378 CD2 PHE A 22 4.121 -2.051 8.196 1.00 0.00 A ATOM 379 CE1 PHE A 22 6.903 -2.191 8.052 1.00 0.00 A ATOM 380 CE2 PHE A 22 4.884 -2.043 9.367 1.00 0.00 A ATOM 381 CG PHE A 22 4.744 -2.123 6.945 1.00 0.00 A ATOM 382 CZ PHE A 22 6.275 -2.128 9.296 1.00 0.00 A ATOM 383 HN PHE A 22 2.433 -2.889 3.605 1.00 0.00 A ATOM 384 HA PHE A 22 5.128 -3.638 4.700 1.00 0.00 A ATOM 385 HB2 PHE A 22 4.274 -1.328 5.006 1.00 0.00 A ATOM 386 HB1 PHE A 22 2.845 -1.945 5.875 1.00 0.00 A ATOM 387 HD1 PHE A 22 6.647 -2.182 5.921 1.00 0.00 A ATOM 388 HD2 PHE A 22 3.041 -1.998 8.270 1.00 0.00 A ATOM 389 HE1 PHE A 22 7.987 -2.257 7.995 1.00 0.00 A ATOM 390 HE2 PHE A 22 4.394 -1.969 10.331 1.00 0.00 A ATOM 391 HZ PHE A 22 6.868 -2.141 10.207 1.00 0.00 A ATOM 392 N PHE A 22 3.380 -3.212 3.567 1.00 0.00 A ATOM 393 O PHE A 22 3.191 -4.653 6.690 1.00 0.00 A ATOM 394 C ARG A 23 3.475 -8.106 4.296 1.00 0.00 A ATOM 395 CA ARG A 23 2.896 -7.040 5.209 1.00 0.00 A ATOM 396 CB ARG A 23 1.353 -7.172 5.324 1.00 0.00 A ATOM 397 CD ARG A 23 -0.341 -9.104 5.985 1.00 0.00 A ATOM 398 CG ARG A 23 0.974 -8.323 6.303 1.00 0.00 A ATOM 399 CZ ARG A 23 -2.728 -9.225 6.498 1.00 0.00 A ATOM 400 HN ARG A 23 3.541 -5.675 3.726 1.00 0.00 A ATOM 401 HA ARG A 23 3.330 -7.151 6.220 1.00 0.00 A ATOM 402 HB2 ARG A 23 0.985 -6.216 5.716 1.00 0.00 A ATOM 403 HB1 ARG A 23 0.928 -7.325 4.322 1.00 0.00 A ATOM 404 HD2 ARG A 23 -0.481 -9.141 4.894 1.00 0.00 A ATOM 405 HD1 ARG A 23 -0.182 -10.126 6.368 1.00 0.00 A ATOM 406 HE ARG A 23 -1.484 -7.827 7.281 1.00 0.00 A ATOM 407 HG2 ARG A 23 1.779 -9.072 6.237 1.00 0.00 A ATOM 408 HG1 ARG A 23 0.960 -7.936 7.334 1.00 0.00 A ATOM 409 HH11 ARG A 23 -2.134 -10.753 5.265 1.00 0.00 A ATOM 410 HH12 ARG A 23 -3.841 -10.728 5.678 1.00 0.00 A ATOM 411 HH21 ARG A 23 -3.693 -7.890 7.709 1.00 0.00 A ATOM 412 HH22 ARG A 23 -4.700 -9.173 7.031 1.00 0.00 A ATOM 413 N ARG A 23 3.324 -5.743 4.692 1.00 0.00 A ATOM 414 NE ARG A 23 -1.560 -8.633 6.648 1.00 0.00 A ATOM 415 NH1 ARG A 23 -2.910 -10.299 5.764 1.00 0.00 A ATOM 416 NH2 ARG A 23 -3.773 -8.732 7.118 1.00 0.00 A ATOM 417 O ARG A 23 4.229 -8.926 4.794 1.00 0.00 A ATOM 418 C CYS A 24 4.842 -8.450 1.179 1.00 0.00 A ATOM 419 CA CYS A 24 3.746 -9.059 2.035 1.00 0.00 A ATOM 420 CB CYS A 24 2.622 -9.656 1.149 1.00 0.00 A ATOM 421 HN CYS A 24 2.524 -7.427 2.585 1.00 0.00 A ATOM 422 HA CYS A 24 4.198 -9.908 2.572 1.00 0.00 A ATOM 423 HB2 CYS A 24 3.047 -10.404 0.461 1.00 0.00 A ATOM 424 HB1 CYS A 24 1.876 -10.158 1.785 1.00 0.00 A ATOM 425 N CYS A 24 3.150 -8.107 2.974 1.00 0.00 A ATOM 426 O CYS A 24 5.344 -9.149 0.310 1.00 0.00 A ATOM 427 SG CYS A 24 1.751 -8.360 0.193 1.00 0.00 A ATOM 428 C GLY A 25 6.035 -6.509 -0.905 1.00 0.00 A ATOM 429 CA GLY A 25 6.338 -6.615 0.571 1.00 0.00 A ATOM 430 HN GLY A 25 4.870 -6.588 2.084 1.00 0.00 A ATOM 431 HA2 GLY A 25 6.588 -5.605 0.927 1.00 0.00 A ATOM 432 HA1 GLY A 25 7.236 -7.244 0.697 1.00 0.00 A ATOM 433 N GLY A 25 5.257 -7.175 1.379 1.00 0.00 A ATOM 434 O GLY A 25 6.955 -6.177 -1.637 1.00 0.00 A ATOM 435 C ALA A 26 4.241 -5.352 -3.256 1.00 0.00 A ATOM 436 CA ALA A 26 4.551 -6.759 -2.814 1.00 0.00 A ATOM 437 CB ALA A 26 3.362 -7.686 -3.160 1.00 0.00 A ATOM 438 HN ALA A 26 4.029 -6.992 -0.784 1.00 0.00 A ATOM 439 HA ALA A 26 5.431 -7.171 -3.338 1.00 0.00 A ATOM 440 HB1 ALA A 26 3.261 -7.761 -4.253 1.00 0.00 A ATOM 441 HB2 ALA A 26 3.543 -8.694 -2.751 1.00 0.00 A ATOM 442 HB3 ALA A 26 2.421 -7.293 -2.739 1.00 0.00 A ATOM 443 N ALA A 26 4.798 -6.780 -1.379 1.00 0.00 A ATOM 444 O ALA A 26 3.440 -4.701 -2.603 1.00 0.00 A ATOM 445 C ASP A 27 3.144 -3.364 -5.234 1.00 0.00 A ATOM 446 CA ASP A 27 4.584 -3.506 -4.802 1.00 0.00 A ATOM 447 CB ASP A 27 5.552 -3.067 -5.931 1.00 0.00 A ATOM 448 CG ASP A 27 5.553 -1.571 -6.104 1.00 0.00 A ATOM 449 HN ASP A 27 5.553 -5.398 -4.842 1.00 0.00 A ATOM 450 HA ASP A 27 4.755 -2.834 -3.959 1.00 0.00 A ATOM 451 HB2 ASP A 27 6.581 -3.366 -5.669 1.00 0.00 A ATOM 452 HB1 ASP A 27 5.273 -3.562 -6.873 1.00 0.00 A ATOM 453 N ASP A 27 4.870 -4.861 -4.346 1.00 0.00 A ATOM 454 O ASP A 27 2.491 -4.360 -5.504 1.00 0.00 A ATOM 455 OD1 ASP A 27 4.677 -1.053 -6.847 1.00 0.00 A ATOM 456 OD2 ASP A 27 6.429 -0.902 -5.491 1.00 0.00 A ATOM 457 C LYS A 28 1.105 -2.512 -7.142 1.00 0.00 A ATOM 458 CA LYS A 28 1.304 -1.851 -5.799 1.00 0.00 A ATOM 459 CB LYS A 28 1.086 -0.318 -5.958 1.00 0.00 A ATOM 460 CD LYS A 28 1.806 1.717 -4.456 1.00 0.00 A ATOM 461 CE LYS A 28 0.973 2.969 -4.848 1.00 0.00 A ATOM 462 CG LYS A 28 1.037 0.371 -4.564 1.00 0.00 A ATOM 463 HN LYS A 28 3.226 -1.325 -5.052 1.00 0.00 A ATOM 464 HA LYS A 28 0.568 -2.259 -5.088 1.00 0.00 A ATOM 465 HB2 LYS A 28 1.906 0.065 -6.582 1.00 0.00 A ATOM 466 HB1 LYS A 28 0.138 -0.130 -6.486 1.00 0.00 A ATOM 467 HD2 LYS A 28 2.077 1.858 -3.398 1.00 0.00 A ATOM 468 HD1 LYS A 28 2.749 1.683 -5.026 1.00 0.00 A ATOM 469 HE2 LYS A 28 0.034 2.979 -4.267 1.00 0.00 A ATOM 470 HE1 LYS A 28 1.562 3.851 -4.534 1.00 0.00 A ATOM 471 HG2 LYS A 28 -0.013 0.502 -4.261 1.00 0.00 A ATOM 472 HG1 LYS A 28 1.511 -0.297 -3.832 1.00 0.00 A ATOM 473 HZ1 LYS A 28 1.323 2.464 -6.907 1.00 0.00 A ATOM 474 HZ2 LYS A 28 0.828 4.099 -6.630 1.00 0.00 A ATOM 475 HZ3 LYS A 28 -0.343 2.821 -6.513 1.00 0.00 A ATOM 476 N LYS A 28 2.657 -2.106 -5.309 1.00 0.00 A ATOM 477 NZ LYS A 28 0.684 3.080 -6.293 1.00 0.00 A ATOM 478 O LYS A 28 -0.010 -2.935 -7.404 1.00 0.00 A ATOM 479 C PHE A 29 2.694 -4.526 -9.390 1.00 0.00 A ATOM 480 CA PHE A 29 2.006 -3.184 -9.316 1.00 0.00 A ATOM 481 CB PHE A 29 2.552 -2.146 -10.334 1.00 0.00 A ATOM 482 CD1 PHE A 29 0.395 -1.456 -11.448 1.00 0.00 A ATOM 483 CD2 PHE A 29 2.065 -2.547 -12.813 1.00 0.00 A ATOM 484 CE1 PHE A 29 -0.430 -1.312 -12.565 1.00 0.00 A ATOM 485 CE2 PHE A 29 1.245 -2.391 -13.934 1.00 0.00 A ATOM 486 CG PHE A 29 1.652 -2.057 -11.570 1.00 0.00 A ATOM 487 CZ PHE A 29 0.000 -1.769 -13.809 1.00 0.00 A ATOM 488 HN PHE A 29 3.070 -2.256 -7.739 1.00 0.00 A ATOM 489 HA PHE A 29 0.948 -3.374 -9.547 1.00 0.00 A ATOM 490 HB2 PHE A 29 2.522 -1.142 -9.879 1.00 0.00 A ATOM 491 HB1 PHE A 29 3.601 -2.349 -10.596 1.00 0.00 A ATOM 492 HD1 PHE A 29 0.054 -1.099 -10.481 1.00 0.00 A ATOM 493 HD2 PHE A 29 3.023 -3.047 -12.913 1.00 0.00 A ATOM 494 HE1 PHE A 29 -1.402 -0.843 -12.461 1.00 0.00 A ATOM 495 HE2 PHE A 29 1.574 -2.752 -14.900 1.00 0.00 A ATOM 496 HZ PHE A 29 -0.632 -1.641 -14.682 1.00 0.00 A ATOM 497 N PHE A 29 2.160 -2.595 -7.989 1.00 0.00 A ATOM 498 O PHE A 29 3.337 -4.816 -10.384 1.00 0.00 A ATOM 499 C ASP A 30 2.352 -7.582 -7.410 1.00 0.00 A ATOM 500 CA ASP A 30 3.165 -6.686 -8.347 1.00 0.00 A ATOM 501 CB ASP A 30 4.623 -6.562 -7.844 1.00 0.00 A ATOM 502 CG ASP A 30 5.426 -7.831 -7.963 1.00 0.00 A ATOM 503 HN ASP A 30 2.035 -5.096 -7.520 1.00 0.00 A ATOM 504 HA ASP A 30 3.168 -7.099 -9.370 1.00 0.00 A ATOM 505 HB2 ASP A 30 5.132 -5.771 -8.420 1.00 0.00 A ATOM 506 HB1 ASP A 30 4.592 -6.260 -6.790 1.00 0.00 A ATOM 507 N ASP A 30 2.548 -5.364 -8.337 1.00 0.00 A ATOM 508 O ASP A 30 1.907 -7.137 -6.353 1.00 0.00 A ATOM 509 OD1 ASP A 30 4.831 -8.940 -7.916 1.00 0.00 A ATOM 510 OD2 ASP A 30 6.674 -7.724 -8.104 1.00 0.00 A ATOM 511 HN1 NH2 A 31 1.601 -9.463 -7.160 1.00 0.00 A ATOM 512 HN2 NH2 A 31 2.491 -9.248 -8.619 1.00 0.00 A ATOM 513 N NH2 A 31 2.132 -8.868 -7.765 1.00 0.00 A TER ATOM 514 C1 AQN B 32 2.018 1.593 7.932 1.00 0.00 B ATOM 515 C10 AQN B 32 -0.189 2.272 10.951 1.00 0.00 B ATOM 516 C11 AQN B 32 1.032 2.011 10.097 1.00 0.00 B ATOM 517 C12 AQN B 32 2.290 1.865 10.687 1.00 0.00 B ATOM 518 C13 AQN B 32 3.418 1.645 9.893 1.00 0.00 B ATOM 519 C14 AQN B 32 3.287 1.518 8.510 1.00 0.00 B ATOM 520 C2 AQN B 32 0.901 1.912 8.710 1.00 0.00 B ATOM 521 C3 AQN B 32 -0.441 2.161 8.059 1.00 0.00 B ATOM 522 C4 AQN B 32 -1.661 2.425 8.913 1.00 0.00 B ATOM 523 C5 AQN B 32 -2.909 2.628 8.319 1.00 0.00 B ATOM 524 C6 AQN B 32 -4.038 2.845 9.114 1.00 0.00 B ATOM 525 C7 AQN B 32 -3.917 2.868 10.506 1.00 0.00 B ATOM 526 C8 AQN B 32 -2.669 2.679 11.100 1.00 0.00 B ATOM 527 C9 AQN B 32 -1.542 2.463 10.305 1.00 0.00 B ATOM 528 H1 AQN B 32 1.900 1.414 6.867 1.00 0.00 B ATOM 529 H12 AQN B 32 2.402 1.925 11.762 1.00 0.00 B ATOM 530 H13 AQN B 32 4.396 1.570 10.356 1.00 0.00 B ATOM 531 H5 AQN B 32 -3.015 2.618 7.240 1.00 0.00 B ATOM 532 H6 AQN B 32 -5.006 2.996 8.652 1.00 0.00 B ATOM 533 H7 AQN B 32 -4.792 3.031 11.125 1.00 0.00 B ATOM 534 H8 AQN B 32 -2.587 2.708 12.182 1.00 0.00 B ATOM 535 O10 AQN B 32 -0.082 2.330 12.166 1.00 0.00 B ATOM 536 O3 AQN B 32 -0.539 2.155 6.843 1.00 0.00 B ATOM 537 OS1 AQN B 32 5.756 0.626 8.256 1.00 0.00 B ATOM 538 OS2 AQN B 32 4.312 0.780 6.222 1.00 0.00 B ATOM 539 OS3 AQN B 32 5.174 2.735 7.284 1.00 0.00 B ATOM 540 S15 AQN B 32 4.733 1.315 7.494 1.00 0.00 B TER ATOM 541 ZN ZN C 33 0.196 -6.669 0.844 1.00 0.00 C END