HETATM 1 O12 QUA A 0 0.608 -1.140 -0.368 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.536 -1.162 0.084 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.716 -1.629 -0.711 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.954 -1.619 -0.146 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.471 -2.053 -2.009 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.977 -2.056 -0.932 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.537 -2.495 -2.792 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.356 -2.038 -0.281 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.826 -2.496 -2.238 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.964 -0.752 -0.453 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.295 -3.126 -0.877 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.286 -2.966 -4.222 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.070 -2.410 -4.741 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.010 -2.941 -2.989 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.198 -4.484 -4.264 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.129 -3.226 -2.397 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.468 -2.040 -2.409 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.254 -2.227 0.778 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.309 -0.067 -0.310 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.315 -2.872 -0.641 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.102 -2.656 -4.855 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.521 -3.115 -5.094 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.951 -3.030 -4.063 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.136 -4.909 -3.935 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.403 -4.818 -3.613 1.00 1.00 H HETATM 26 H143 QUA A 0 -1.994 -4.806 -5.274 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.969 -3.547 -2.995 1.00 1.00 H ATOM 28 N ILE A 1 -6.003 -4.484 -0.330 1.00 1.00 N ATOM 29 CA ILE A 1 -6.357 -4.630 1.113 1.00 1.00 C ATOM 30 C ILE A 1 -5.123 -4.879 1.957 1.00 1.00 C ATOM 31 O ILE A 1 -5.171 -4.799 3.185 1.00 1.00 O ATOM 32 CB ILE A 1 -7.363 -5.779 1.333 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.921 -7.032 0.570 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.757 -5.342 0.901 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.717 -8.274 0.918 1.00 1.00 C ATOM 36 H ILE A 1 -5.052 -4.684 -0.452 1.00 1.00 H ATOM 37 HA ILE A 1 -6.811 -3.715 1.444 1.00 1.00 H ATOM 38 HB ILE A 1 -7.396 -6.002 2.390 1.00 1.00 H ATOM 39 HG12 ILE A 1 -7.032 -6.856 -0.490 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.883 -7.232 0.789 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.471 -6.113 1.152 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.767 -5.176 -0.166 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.022 -4.428 1.411 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.655 -8.454 1.981 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.313 -9.121 0.384 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.750 -8.130 0.637 1.00 1.00 H ATOM 47 N ALA A 2 -4.013 -5.169 1.290 1.00 1.00 N ATOM 48 CA ALA A 2 -2.779 -5.516 1.974 1.00 1.00 C ATOM 49 C ALA A 2 -1.624 -5.625 0.984 1.00 1.00 C ATOM 50 O ALA A 2 -1.674 -6.420 0.046 1.00 1.00 O ATOM 51 CB ALA A 2 -2.963 -6.816 2.734 1.00 1.00 C ATOM 52 H ALA A 2 -4.026 -5.149 0.310 1.00 1.00 H ATOM 53 HA ALA A 2 -2.560 -4.735 2.686 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.842 -6.738 3.362 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.096 -7.003 3.348 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.095 -7.626 2.033 1.00 1.00 H HETATM 57 N DHA A 3 -0.581 -4.825 1.216 1.00 1.00 N HETATM 58 CA DHA A 3 0.569 -4.610 0.326 1.00 1.00 C HETATM 59 CB DHA A 3 0.730 -5.122 -0.886 1.00 1.00 C HETATM 60 C DHA A 3 1.564 -3.728 0.906 1.00 1.00 C HETATM 61 O DHA A 3 1.340 -3.289 2.033 1.00 1.00 O HETATM 62 H DHA A 3 -0.582 -4.342 2.069 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.024 -5.765 -1.311 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.616 -4.886 -1.457 1.00 1.00 H ATOM 65 N ALA A 4 2.650 -3.422 0.213 1.00 1.00 N ATOM 66 CA ALA A 4 3.585 -2.403 0.663 1.00 1.00 C ATOM 67 C ALA A 4 3.964 -1.498 -0.499 1.00 1.00 C ATOM 68 O ALA A 4 4.594 -1.948 -1.456 1.00 1.00 O ATOM 69 CB ALA A 4 4.817 -3.052 1.272 1.00 1.00 C ATOM 70 H ALA A 4 2.828 -3.895 -0.626 1.00 1.00 H ATOM 71 HA ALA A 4 3.099 -1.812 1.426 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.352 -3.595 0.507 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.511 -3.735 2.052 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.458 -2.289 1.689 1.00 1.00 H ATOM 75 N SER A 5 3.565 -0.224 -0.413 1.00 1.00 N ATOM 76 CA SER A 5 3.668 0.709 -1.604 1.00 1.00 C ATOM 77 C SER A 5 2.654 0.367 -2.593 1.00 1.00 C ATOM 78 CB SER A 5 5.107 0.724 -2.204 1.00 1.00 C ATOM 79 H SER A 5 3.180 0.099 0.437 1.00 1.00 H ATOM 80 HB2 SER A 5 5.326 -0.227 -2.660 1.00 1.00 H ATOM 81 HB3 SER A 5 5.175 1.502 -2.950 1.00 1.00 H HETATM 82 N BB9 A 6 1.451 0.844 -2.675 1.00 1.00 N HETATM 83 CA BB9 A 6 0.754 0.314 -3.702 1.00 1.00 C HETATM 84 C BB9 A 6 -0.615 0.681 -4.005 1.00 1.00 C HETATM 85 O BB9 A 6 -1.265 0.231 -4.949 1.00 1.00 O HETATM 86 CB BB9 A 6 1.478 -0.650 -4.465 1.00 1.00 C HETATM 87 SG BB9 A 6 3.018 -0.804 -3.805 1.00 1.00 S HETATM 88 HB BB9 A 6 1.101 -1.189 -5.322 1.00 1.00 H ATOM 89 N THR A 7 -1.116 1.558 -3.137 1.00 1.00 N ATOM 90 CA THR A 7 -2.484 2.052 -3.249 1.00 1.00 C ATOM 91 C THR A 7 -2.548 3.558 -3.007 1.00 1.00 C ATOM 92 O THR A 7 -1.553 4.179 -2.633 1.00 1.00 O ATOM 93 CB THR A 7 -3.426 1.336 -2.259 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.770 1.801 -2.434 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.992 1.564 -0.815 1.00 1.00 C ATOM 96 H THR A 7 -0.551 1.878 -2.404 1.00 1.00 H ATOM 97 HA THR A 7 -2.832 1.847 -4.252 1.00 1.00 H ATOM 98 HB THR A 7 -3.395 0.275 -2.463 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.381 1.077 -2.286 1.00 1.00 H ATOM 100 HG21 THR A 7 -1.937 1.356 -0.720 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.548 0.905 -0.165 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.186 2.590 -0.537 1.00 1.00 H HETATM 103 N DBU A 8 -3.724 4.137 -3.221 1.00 1.00 N HETATM 104 CA DBU A 8 -4.011 5.565 -3.051 1.00 1.00 C HETATM 105 CB DBU A 8 -3.522 6.528 -3.826 1.00 1.00 C HETATM 106 CG DBU A 8 -2.580 6.254 -5.009 1.00 1.00 C HETATM 107 C DBU A 8 -4.918 5.898 -1.925 1.00 1.00 C HETATM 108 H DBU A 8 -4.456 3.556 -3.517 1.00 1.00 H HETATM 109 HB DBU A 8 -3.795 7.550 -3.617 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.346 7.185 -5.504 1.00 1.00 H HETATM 111 HG2 DBU A 8 -3.064 5.587 -5.708 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.670 5.799 -4.648 1.00 1.00 H HETATM 113 N DCY A 9 -5.393 4.997 -1.105 1.00 1.00 N HETATM 114 CA DCY A 9 -6.273 5.594 -0.090 1.00 1.00 C HETATM 115 C DCY A 9 -6.186 4.927 1.269 1.00 1.00 C HETATM 116 O DCY A 9 -6.162 5.643 2.273 1.00 1.00 O HETATM 117 CB DCY A 9 -5.919 7.076 0.020 1.00 1.00 C HETATM 118 SG DCY A 9 -5.417 7.531 -1.643 1.00 1.00 S HETATM 119 HA DCY A 9 -7.292 5.521 -0.438 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.786 7.647 0.339 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.094 7.223 0.695 1.00 1.00 H HETATM 122 N TS9 A 10 -6.140 3.597 1.321 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.236 2.881 2.591 1.00 1.00 C HETATM 124 C TS9 A 10 -4.931 3.014 3.382 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.614 1.377 2.361 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.555 0.733 1.676 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.863 0.686 3.667 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.901 1.350 1.462 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.865 2.183 2.119 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.513 -0.025 1.227 1.00 1.00 C HETATM 131 H TS9 A 10 -6.040 3.088 0.489 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.029 3.349 3.157 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.460 -0.164 2.002 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -5.974 0.731 4.276 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.122 -0.346 3.487 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.676 1.176 4.182 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.671 1.783 0.499 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.385 2.652 1.463 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.215 0.029 0.407 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.029 -0.344 2.120 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.735 -0.732 0.990 1.00 1.00 H HETATM 142 N BB9 A 11 -3.783 2.516 3.039 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.824 2.804 3.951 1.00 1.00 C HETATM 144 C BB9 A 11 -1.441 2.382 3.838 1.00 1.00 C HETATM 145 O BB9 A 11 -0.569 2.656 4.662 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.281 3.575 5.063 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.922 3.882 4.866 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.674 3.904 5.892 1.00 1.00 H ATOM 149 N THR A 12 -1.192 1.652 2.752 1.00 1.00 N ATOM 150 CA THR A 12 0.158 1.168 2.466 1.00 1.00 C ATOM 151 C THR A 12 0.754 1.889 1.271 1.00 1.00 C ATOM 152 CB THR A 12 0.200 -0.354 2.234 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.883 -0.775 1.311 1.00 1.00 O ATOM 154 CG2 THR A 12 0.004 -1.105 3.531 1.00 1.00 C ATOM 155 H THR A 12 -1.923 1.434 2.137 1.00 1.00 H ATOM 156 HA THR A 12 0.768 1.377 3.331 1.00 1.00 H ATOM 157 HB THR A 12 1.163 -0.624 1.825 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.300 -2.118 3.317 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.754 -0.614 4.124 1.00 1.00 H ATOM 160 HG23 THR A 12 0.939 -1.117 4.072 1.00 1.00 H HETATM 161 N BB9 A 13 1.887 1.589 0.742 1.00 1.00 N HETATM 162 CA BB9 A 13 2.179 2.380 -0.303 1.00 1.00 C HETATM 163 C BB9 A 13 3.469 2.160 -1.032 1.00 1.00 C HETATM 164 CB BB9 A 13 1.184 3.366 -0.592 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.072 3.196 0.519 1.00 1.00 S HETATM 166 HB BB9 A 13 1.228 4.095 -1.388 1.00 1.00 H HETATM 167 HC BB9 A 13 3.513 2.853 -1.859 1.00 1.00 H HETATM 168 N MH6 A 14 4.498 2.508 -0.039 1.00 1.00 N HETATM 169 CA MH6 A 14 5.665 1.970 -0.118 1.00 1.00 C HETATM 170 C MH6 A 14 6.629 2.379 0.927 1.00 1.00 C HETATM 171 CB MH6 A 14 6.140 0.997 -1.114 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.367 0.068 -0.618 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.040 1.373 -1.585 1.00 1.00 H HETATM 174 N BB9 A 15 7.847 1.956 0.975 1.00 1.00 N HETATM 175 CA BB9 A 15 8.516 2.481 2.027 1.00 1.00 C HETATM 176 C BB9 A 15 9.902 2.175 2.316 1.00 1.00 C HETATM 177 O BB9 A 15 10.527 2.621 3.277 1.00 1.00 O HETATM 178 CB BB9 A 15 7.736 3.369 2.835 1.00 1.00 C HETATM 179 SG BB9 A 15 6.185 3.469 2.179 1.00 1.00 S HETATM 180 HB BB9 A 15 8.082 3.889 3.716 1.00 1.00 H HETATM 181 N DHA A 16 10.438 1.358 1.405 1.00 1.00 N HETATM 182 CA DHA A 16 11.828 0.866 1.374 1.00 1.00 C HETATM 183 CB DHA A 16 12.759 1.106 2.287 1.00 1.00 C HETATM 184 C DHA A 16 12.113 0.055 0.201 1.00 1.00 C HETATM 185 O DHA A 16 11.190 -0.117 -0.595 1.00 1.00 O HETATM 186 H DHA A 16 9.844 1.063 0.683 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.531 1.712 3.149 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.750 0.698 2.164 1.00 1.00 H HETATM 189 N DHA A 17 13.335 -0.461 0.037 1.00 1.00 N HETATM 190 CA DHA A 17 13.795 -1.279 -1.101 1.00 1.00 C HETATM 191 CB DHA A 17 13.073 -1.608 -2.164 1.00 1.00 C HETATM 192 C DHA A 17 15.173 -1.721 -0.964 1.00 1.00 C HETATM 193 O DHA A 17 15.781 -1.376 0.050 1.00 1.00 O HETATM 194 H DHA A 17 13.986 -0.278 0.746 1.00 1.00 H HETATM 195 HB1 DHA A 17 12.053 -1.272 -2.253 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.509 -2.214 -2.945 1.00 1.00 H HETATM 197 N NH2 A 18 15.723 -2.467 -1.916 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.653 -2.762 -1.818 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.193 -2.713 -2.703 1.00 1.00 H TER 200 NH2 A 18