HETATM 1 O12 QUA A 0 0.582 -1.192 -0.388 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.564 -1.203 0.063 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.746 -1.667 -0.730 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.977 -1.689 -0.150 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.510 -2.056 -2.042 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.003 -2.120 -0.934 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.580 -2.492 -2.822 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.373 -2.139 -0.265 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.861 -2.524 -2.253 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.998 -0.857 -0.387 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.308 -3.220 -0.881 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.342 -2.926 -4.267 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.115 -2.383 -4.774 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.048 -2.965 -3.001 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.288 -4.445 -4.354 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.157 -3.279 -2.405 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.512 -2.019 -2.452 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.253 -2.361 0.786 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.737 -0.450 -1.217 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.329 -2.985 -0.627 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.153 -2.581 -4.888 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.473 -3.088 -4.882 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.001 -3.025 -4.078 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.540 -4.818 -3.671 1.00 1.00 H HETATM 25 H142 QUA A 0 -2.034 -4.739 -5.361 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.253 -4.856 -4.092 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.000 -3.594 -3.002 1.00 1.00 H ATOM 28 N ILE A 1 -5.994 -4.590 -0.377 1.00 1.00 N ATOM 29 CA ILE A 1 -6.345 -4.792 1.059 1.00 1.00 C ATOM 30 C ILE A 1 -5.107 -5.067 1.892 1.00 1.00 C ATOM 31 O ILE A 1 -5.157 -5.045 3.122 1.00 1.00 O ATOM 32 CB ILE A 1 -7.348 -5.952 1.234 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.889 -7.181 0.439 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.739 -5.512 0.800 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.752 -8.408 0.655 1.00 1.00 C ATOM 36 H ILE A 1 -5.040 -4.771 -0.507 1.00 1.00 H ATOM 37 HA ILE A 1 -6.802 -3.892 1.425 1.00 1.00 H ATOM 38 HB ILE A 1 -7.390 -6.206 2.283 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.911 -6.947 -0.615 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.879 -7.432 0.726 1.00 1.00 H ATOM 41 HG21 ILE A 1 -8.754 -5.366 -0.269 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.992 -4.584 1.292 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.459 -6.270 1.071 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.844 -8.601 1.714 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.293 -9.259 0.174 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.732 -8.241 0.232 1.00 1.00 H ATOM 47 N ALA A 2 -3.993 -5.317 1.213 1.00 1.00 N ATOM 48 CA ALA A 2 -2.749 -5.659 1.886 1.00 1.00 C ATOM 49 C ALA A 2 -1.590 -5.709 0.897 1.00 1.00 C ATOM 50 O ALA A 2 -1.637 -6.448 -0.086 1.00 1.00 O ATOM 51 CB ALA A 2 -2.904 -6.986 2.604 1.00 1.00 C ATOM 52 H ALA A 2 -4.009 -5.271 0.235 1.00 1.00 H ATOM 53 HA ALA A 2 -2.548 -4.897 2.625 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.802 -6.963 3.206 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.048 -7.156 3.239 1.00 1.00 H ATOM 56 HB3 ALA A 2 -2.980 -7.781 1.878 1.00 1.00 H HETATM 57 N DHA A 3 -0.551 -4.921 1.178 1.00 1.00 N HETATM 58 CA DHA A 3 0.623 -4.686 0.325 1.00 1.00 C HETATM 59 CB DHA A 3 0.838 -5.206 -0.875 1.00 1.00 C HETATM 60 C DHA A 3 1.577 -3.770 0.924 1.00 1.00 C HETATM 61 O DHA A 3 1.306 -3.321 2.036 1.00 1.00 O HETATM 62 H DHA A 3 -0.574 -4.458 2.042 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.115 -5.872 -1.317 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.735 -4.952 -1.419 1.00 1.00 H ATOM 65 N ALA A 4 2.679 -3.453 0.262 1.00 1.00 N ATOM 66 CA ALA A 4 3.572 -2.399 0.719 1.00 1.00 C ATOM 67 C ALA A 4 3.960 -1.505 -0.450 1.00 1.00 C ATOM 68 O ALA A 4 4.604 -1.963 -1.393 1.00 1.00 O ATOM 69 CB ALA A 4 4.802 -3.000 1.379 1.00 1.00 C ATOM 70 H ALA A 4 2.901 -3.942 -0.557 1.00 1.00 H ATOM 71 HA ALA A 4 3.046 -1.806 1.455 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.414 -2.211 1.788 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.370 -3.554 0.646 1.00 1.00 H ATOM 74 HB3 ALA A 4 4.492 -3.665 2.173 1.00 1.00 H ATOM 75 N SER A 5 3.552 -0.232 -0.383 1.00 1.00 N ATOM 76 CA SER A 5 3.657 0.688 -1.586 1.00 1.00 C ATOM 77 C SER A 5 2.643 0.341 -2.571 1.00 1.00 C ATOM 78 CB SER A 5 5.095 0.699 -2.185 1.00 1.00 C ATOM 79 H SER A 5 3.160 0.098 0.460 1.00 1.00 H ATOM 80 HB2 SER A 5 5.318 -0.257 -2.628 1.00 1.00 H ATOM 81 HB3 SER A 5 5.163 1.467 -2.942 1.00 1.00 H HETATM 82 N BB9 A 6 1.446 0.829 -2.656 1.00 1.00 N HETATM 83 CA BB9 A 6 0.741 0.296 -3.676 1.00 1.00 C HETATM 84 C BB9 A 6 -0.625 0.677 -3.979 1.00 1.00 C HETATM 85 O BB9 A 6 -1.283 0.235 -4.920 1.00 1.00 O HETATM 86 CB BB9 A 6 1.456 -0.680 -4.434 1.00 1.00 C HETATM 87 SG BB9 A 6 2.996 -0.842 -3.774 1.00 1.00 S HETATM 88 HB BB9 A 6 1.073 -1.223 -5.286 1.00 1.00 H ATOM 89 N THR A 7 -1.114 1.557 -3.106 1.00 1.00 N ATOM 90 CA THR A 7 -2.482 2.057 -3.199 1.00 1.00 C ATOM 91 C THR A 7 -2.530 3.566 -2.971 1.00 1.00 C ATOM 92 O THR A 7 -1.532 4.178 -2.590 1.00 1.00 O ATOM 93 CB THR A 7 -3.410 1.359 -2.181 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.743 1.869 -2.299 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.913 1.559 -0.753 1.00 1.00 C ATOM 96 H THR A 7 -0.538 1.880 -2.383 1.00 1.00 H ATOM 97 HA THR A 7 -2.851 1.844 -4.192 1.00 1.00 H ATOM 98 HB THR A 7 -3.420 0.301 -2.396 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.020 1.831 -3.218 1.00 1.00 H ATOM 100 HG21 THR A 7 -1.866 1.300 -0.696 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.475 0.924 -0.085 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.047 2.591 -0.464 1.00 1.00 H HETATM 103 N DBU A 8 -3.696 4.160 -3.206 1.00 1.00 N HETATM 104 CA DBU A 8 -3.961 5.596 -3.059 1.00 1.00 C HETATM 105 CB DBU A 8 -3.458 6.538 -3.853 1.00 1.00 C HETATM 106 CG DBU A 8 -2.528 6.228 -5.036 1.00 1.00 C HETATM 107 C DBU A 8 -4.858 5.965 -1.936 1.00 1.00 C HETATM 108 H DBU A 8 -4.436 3.589 -3.501 1.00 1.00 H HETATM 109 HB DBU A 8 -3.715 7.568 -3.662 1.00 1.00 H HETATM 110 HG1 DBU A 8 -1.625 5.761 -4.672 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.277 7.146 -5.547 1.00 1.00 H HETATM 112 HG3 DBU A 8 -3.029 5.560 -5.723 1.00 1.00 H HETATM 113 N DCY A 9 -5.372 5.084 -1.117 1.00 1.00 N HETATM 114 CA DCY A 9 -6.232 5.720 -0.106 1.00 1.00 C HETATM 115 C DCY A 9 -6.187 5.048 1.252 1.00 1.00 C HETATM 116 O DCY A 9 -6.250 5.756 2.258 1.00 1.00 O HETATM 117 CB DCY A 9 -5.809 7.181 0.012 1.00 1.00 C HETATM 118 SG DCY A 9 -5.286 7.619 -1.651 1.00 1.00 S HETATM 119 HA DCY A 9 -7.249 5.696 -0.461 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.648 7.790 0.333 1.00 1.00 H HETATM 121 HB3 DCY A 9 -4.977 7.286 0.686 1.00 1.00 H HETATM 122 N TS9 A 10 -6.083 3.721 1.302 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.221 2.998 2.563 1.00 1.00 C HETATM 124 C TS9 A 10 -4.920 3.075 3.368 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.655 1.512 2.315 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.628 0.840 1.610 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.920 0.812 3.613 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.950 1.545 1.428 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.893 2.371 2.126 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.592 0.192 1.149 1.00 1.00 C HETATM 131 H TS9 A 10 -5.909 3.221 0.477 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.001 3.491 3.124 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.518 1.241 0.745 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.236 -0.203 3.419 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.697 1.335 4.152 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -6.019 0.797 4.207 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.721 2.008 0.480 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.745 1.930 2.156 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -7.825 -0.529 0.915 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.269 0.280 0.311 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.139 -0.134 2.020 1.00 1.00 H HETATM 142 N BB9 A 11 -3.783 2.551 3.027 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.825 2.794 3.955 1.00 1.00 C HETATM 144 C BB9 A 11 -1.453 2.334 3.849 1.00 1.00 C HETATM 145 O BB9 A 11 -0.585 2.566 4.692 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.272 3.557 5.076 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.902 3.916 4.868 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.664 3.853 5.917 1.00 1.00 H ATOM 149 N THR A 12 -1.208 1.624 2.750 1.00 1.00 N ATOM 150 CA THR A 12 0.139 1.132 2.459 1.00 1.00 C ATOM 151 C THR A 12 0.740 1.864 1.273 1.00 1.00 C ATOM 152 CB THR A 12 0.170 -0.388 2.213 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.913 -0.797 1.284 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.037 -1.151 3.502 1.00 1.00 C ATOM 155 H THR A 12 -1.939 1.428 2.127 1.00 1.00 H ATOM 156 HA THR A 12 0.749 1.328 3.327 1.00 1.00 H ATOM 157 HB THR A 12 1.133 -0.662 1.804 1.00 1.00 H ATOM 158 HG21 THR A 12 0.903 -1.204 4.031 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.384 -2.148 3.279 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.767 -0.640 4.112 1.00 1.00 H HETATM 161 N BB9 A 13 1.869 1.562 0.738 1.00 1.00 N HETATM 162 CA BB9 A 13 2.168 2.366 -0.294 1.00 1.00 C HETATM 163 C BB9 A 13 3.453 2.145 -1.030 1.00 1.00 C HETATM 164 CB BB9 A 13 1.180 3.366 -0.567 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.075 3.191 0.544 1.00 1.00 S HETATM 166 HB BB9 A 13 1.231 4.106 -1.351 1.00 1.00 H HETATM 167 HC BB9 A 13 3.483 2.827 -1.870 1.00 1.00 H HETATM 168 N MH6 A 14 4.487 2.519 -0.053 1.00 1.00 N HETATM 169 CA MH6 A 14 5.654 1.984 -0.124 1.00 1.00 C HETATM 170 C MH6 A 14 6.621 2.426 0.902 1.00 1.00 C HETATM 171 CB MH6 A 14 6.128 0.989 -1.098 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.347 0.068 -0.582 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.029 1.350 -1.574 1.00 1.00 H HETATM 174 N BB9 A 15 7.843 2.013 0.956 1.00 1.00 N HETATM 175 CA BB9 A 15 8.513 2.572 1.988 1.00 1.00 C HETATM 176 C BB9 A 15 9.903 2.283 2.278 1.00 1.00 C HETATM 177 O BB9 A 15 10.535 2.770 3.215 1.00 1.00 O HETATM 178 CB BB9 A 15 7.733 3.478 2.775 1.00 1.00 C HETATM 179 SG BB9 A 15 6.178 3.549 2.126 1.00 1.00 S HETATM 180 HB BB9 A 15 8.081 4.024 3.639 1.00 1.00 H HETATM 181 N DHA A 16 10.432 1.426 1.401 1.00 1.00 N HETATM 182 CA DHA A 16 11.815 0.915 1.396 1.00 1.00 C HETATM 183 CB DHA A 16 12.749 1.188 2.296 1.00 1.00 C HETATM 184 C DHA A 16 12.088 0.043 0.266 1.00 1.00 C HETATM 185 O DHA A 16 11.164 -0.155 -0.521 1.00 1.00 O HETATM 186 H DHA A 16 9.837 1.110 0.689 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.529 1.836 3.129 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.735 0.758 2.196 1.00 1.00 H HETATM 189 N DHA A 17 13.304 -0.496 0.128 1.00 1.00 N HETATM 190 CA DHA A 17 13.742 -1.403 -0.949 1.00 1.00 C HETATM 191 CB DHA A 17 12.996 -1.828 -1.958 1.00 1.00 C HETATM 192 C DHA A 17 15.128 -1.819 -0.813 1.00 1.00 C HETATM 193 O DHA A 17 15.760 -1.385 0.151 1.00 1.00 O HETATM 194 H DHA A 17 13.965 -0.262 0.811 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.969 -1.512 -2.047 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.418 -2.496 -2.696 1.00 1.00 H HETATM 197 N NH2 A 18 15.659 -2.639 -1.713 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.594 -2.919 -1.616 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.110 -2.956 -2.459 1.00 1.00 H TER 200 NH2 A 18