HETATM 1 O12 QUA A 0 0.585 -1.196 -0.402 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.562 -1.204 0.045 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.740 -1.676 -0.749 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.979 -1.664 -0.187 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.490 -2.110 -2.044 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.000 -2.109 -0.973 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.553 -2.559 -2.826 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.382 -2.089 -0.329 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.844 -2.558 -2.276 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.998 -0.812 -0.524 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.307 -3.194 -0.914 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.297 -3.041 -4.253 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.085 -2.482 -4.775 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.025 -3.011 -3.027 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.202 -4.560 -4.279 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.143 -3.300 -2.433 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.485 -2.098 -2.440 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.282 -2.260 0.733 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.325 -0.128 -0.523 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.332 -2.952 -0.676 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.115 -2.741 -4.888 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.471 -3.189 -4.985 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.964 -3.102 -4.100 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.412 -4.882 -3.616 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.984 -4.888 -5.285 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.140 -4.985 -3.956 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.982 -3.626 -3.029 1.00 1.00 H ATOM 28 N ILE A 1 -5.995 -4.546 -0.358 1.00 1.00 N ATOM 29 CA ILE A 1 -6.346 -4.688 1.085 1.00 1.00 C ATOM 30 C ILE A 1 -5.105 -4.867 1.937 1.00 1.00 C ATOM 31 O ILE A 1 -5.146 -4.697 3.156 1.00 1.00 O ATOM 32 CB ILE A 1 -7.304 -5.875 1.320 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.761 -7.145 0.654 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.692 -5.538 0.789 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.532 -8.398 1.013 1.00 1.00 C ATOM 36 H ILE A 1 -5.041 -4.732 -0.479 1.00 1.00 H ATOM 37 HA ILE A 1 -6.842 -3.788 1.400 1.00 1.00 H ATOM 38 HB ILE A 1 -7.383 -6.039 2.384 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.806 -7.029 -0.418 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.734 -7.292 0.952 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.382 -6.322 1.061 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.653 -5.449 -0.286 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.022 -4.604 1.216 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.584 -8.494 2.088 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.030 -9.261 0.600 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.532 -8.336 0.609 1.00 1.00 H ATOM 47 N ALA A 2 -3.998 -5.204 1.288 1.00 1.00 N ATOM 48 CA ALA A 2 -2.753 -5.465 1.990 1.00 1.00 C ATOM 49 C ALA A 2 -1.594 -5.597 1.009 1.00 1.00 C ATOM 50 O ALA A 2 -1.652 -6.393 0.072 1.00 1.00 O ATOM 51 CB ALA A 2 -2.895 -6.718 2.834 1.00 1.00 C ATOM 52 H ALA A 2 -4.020 -5.278 0.312 1.00 1.00 H ATOM 53 HA ALA A 2 -2.560 -4.631 2.651 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.040 -6.815 3.484 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.960 -7.579 2.188 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.796 -6.643 3.428 1.00 1.00 H HETATM 57 N DHA A 3 -0.540 -4.815 1.247 1.00 1.00 N HETATM 58 CA DHA A 3 0.609 -4.605 0.357 1.00 1.00 C HETATM 59 CB DHA A 3 0.765 -5.118 -0.856 1.00 1.00 C HETATM 60 C DHA A 3 1.606 -3.725 0.934 1.00 1.00 C HETATM 61 O DHA A 3 1.382 -3.283 2.059 1.00 1.00 O HETATM 62 H DHA A 3 -0.531 -4.342 2.105 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.006 -5.757 -1.278 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.650 -4.885 -1.430 1.00 1.00 H ATOM 65 N ALA A 4 2.692 -3.422 0.242 1.00 1.00 N ATOM 66 CA ALA A 4 3.617 -2.388 0.681 1.00 1.00 C ATOM 67 C ALA A 4 3.980 -1.486 -0.489 1.00 1.00 C ATOM 68 O ALA A 4 4.606 -1.938 -1.448 1.00 1.00 O ATOM 69 CB ALA A 4 4.859 -3.018 1.288 1.00 1.00 C ATOM 70 H ALA A 4 2.879 -3.906 -0.590 1.00 1.00 H ATOM 71 HA ALA A 4 3.127 -1.797 1.442 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.401 -3.553 0.524 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.565 -3.704 2.071 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.488 -2.245 1.706 1.00 1.00 H ATOM 75 N SER A 5 3.571 -0.215 -0.407 1.00 1.00 N ATOM 76 CA SER A 5 3.660 0.712 -1.603 1.00 1.00 C ATOM 77 C SER A 5 2.638 0.364 -2.582 1.00 1.00 C ATOM 78 CB SER A 5 5.093 0.735 -2.211 1.00 1.00 C ATOM 79 H SER A 5 3.189 0.107 0.444 1.00 1.00 H ATOM 80 HB2 SER A 5 5.316 -0.217 -2.668 1.00 1.00 H ATOM 81 HB3 SER A 5 5.155 1.512 -2.959 1.00 1.00 H HETATM 82 N BB9 A 6 1.432 0.832 -2.644 1.00 1.00 N HETATM 83 CA BB9 A 6 0.723 0.304 -3.663 1.00 1.00 C HETATM 84 C BB9 A 6 -0.653 0.667 -3.938 1.00 1.00 C HETATM 85 O BB9 A 6 -1.320 0.225 -4.875 1.00 1.00 O HETATM 86 CB BB9 A 6 1.444 -0.647 -4.447 1.00 1.00 C HETATM 87 SG BB9 A 6 2.996 -0.793 -3.809 1.00 1.00 S HETATM 88 HB BB9 A 6 1.059 -1.183 -5.302 1.00 1.00 H ATOM 89 N THR A 7 -1.138 1.532 -3.049 1.00 1.00 N ATOM 90 CA THR A 7 -2.506 2.032 -3.122 1.00 1.00 C ATOM 91 C THR A 7 -2.544 3.543 -2.906 1.00 1.00 C ATOM 92 O THR A 7 -1.543 4.148 -2.523 1.00 1.00 O ATOM 93 CB THR A 7 -3.415 1.348 -2.080 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.747 1.868 -2.171 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.883 1.549 -0.668 1.00 1.00 C ATOM 96 H THR A 7 -0.557 1.842 -2.323 1.00 1.00 H ATOM 97 HA THR A 7 -2.893 1.810 -4.107 1.00 1.00 H ATOM 98 HB THR A 7 -3.439 0.289 -2.291 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.095 2.015 -1.288 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.434 0.922 0.017 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.001 2.583 -0.381 1.00 1.00 H ATOM 102 HG23 THR A 7 -1.837 1.284 -0.634 1.00 1.00 H HETATM 103 N DBU A 8 -3.703 4.148 -3.153 1.00 1.00 N HETATM 104 CA DBU A 8 -3.949 5.586 -3.015 1.00 1.00 C HETATM 105 CB DBU A 8 -3.421 6.517 -3.807 1.00 1.00 C HETATM 106 CG DBU A 8 -2.479 6.188 -4.974 1.00 1.00 C HETATM 107 C DBU A 8 -4.855 5.972 -1.906 1.00 1.00 C HETATM 108 H DBU A 8 -4.446 3.582 -3.450 1.00 1.00 H HETATM 109 HB DBU A 8 -3.665 7.551 -3.623 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.220 7.097 -5.496 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.971 5.510 -5.655 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.581 5.724 -4.592 1.00 1.00 H HETATM 113 N DCY A 9 -5.420 5.098 -1.116 1.00 1.00 N HETATM 114 CA DCY A 9 -6.273 5.746 -0.108 1.00 1.00 C HETATM 115 C DCY A 9 -6.276 5.045 1.236 1.00 1.00 C HETATM 116 O DCY A 9 -6.446 5.724 2.248 1.00 1.00 O HETATM 117 CB DCY A 9 -5.798 7.189 0.046 1.00 1.00 C HETATM 118 SG DCY A 9 -5.221 7.635 -1.596 1.00 1.00 S HETATM 119 HA DCY A 9 -7.284 5.768 -0.482 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.620 7.824 0.361 1.00 1.00 H HETATM 121 HB3 DCY A 9 -4.978 7.249 0.740 1.00 1.00 H HETATM 122 N TS9 A 10 -6.097 3.725 1.263 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.239 2.968 2.503 1.00 1.00 C HETATM 124 C TS9 A 10 -4.948 3.043 3.323 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.648 1.483 2.210 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.582 0.830 1.545 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.968 0.758 3.481 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.899 1.522 1.262 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.862 2.366 1.907 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.544 0.174 0.965 1.00 1.00 C HETATM 131 H TS9 A 10 -5.865 3.254 0.436 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.033 3.434 3.069 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.336 0.040 2.031 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -6.110 0.776 4.135 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.226 -0.267 3.259 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.801 1.241 3.970 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.620 1.974 0.323 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.220 1.913 2.675 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.077 0.229 0.027 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.235 -0.075 1.756 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.781 -0.585 0.902 1.00 1.00 H HETATM 142 N BB9 A 11 -3.805 2.530 2.987 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.857 2.768 3.927 1.00 1.00 C HETATM 144 C BB9 A 11 -1.482 2.319 3.829 1.00 1.00 C HETATM 145 O BB9 A 11 -0.623 2.545 4.682 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.320 3.516 5.053 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.950 3.867 4.833 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.722 3.807 5.903 1.00 1.00 H ATOM 149 N THR A 12 -1.221 1.625 2.722 1.00 1.00 N ATOM 150 CA THR A 12 0.128 1.139 2.441 1.00 1.00 C ATOM 151 C THR A 12 0.736 1.876 1.261 1.00 1.00 C ATOM 152 CB THR A 12 0.167 -0.380 2.193 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.914 -0.793 1.264 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.031 -1.146 3.482 1.00 1.00 C ATOM 155 H THR A 12 -1.944 1.438 2.087 1.00 1.00 H ATOM 156 HA THR A 12 0.731 1.336 3.315 1.00 1.00 H ATOM 157 HB THR A 12 1.131 -0.648 1.782 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.780 -0.654 4.083 1.00 1.00 H ATOM 159 HG22 THR A 12 0.905 -1.178 4.018 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.351 -2.152 3.256 1.00 1.00 H HETATM 161 N BB9 A 13 1.866 1.574 0.727 1.00 1.00 N HETATM 162 CA BB9 A 13 2.169 2.383 -0.300 1.00 1.00 C HETATM 163 C BB9 A 13 3.456 2.165 -1.035 1.00 1.00 C HETATM 164 CB BB9 A 13 1.185 3.386 -0.570 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.073 3.208 0.536 1.00 1.00 S HETATM 166 HB BB9 A 13 1.239 4.130 -1.350 1.00 1.00 H HETATM 167 HC BB9 A 13 3.491 2.853 -1.869 1.00 1.00 H HETATM 168 N MH6 A 14 4.491 2.526 -0.053 1.00 1.00 N HETATM 169 CA MH6 A 14 5.659 1.992 -0.135 1.00 1.00 C HETATM 170 C MH6 A 14 6.630 2.417 0.895 1.00 1.00 C HETATM 171 CB MH6 A 14 6.131 1.013 -1.127 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.357 0.085 -0.624 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.028 1.384 -1.602 1.00 1.00 H HETATM 174 N BB9 A 15 7.844 1.982 0.951 1.00 1.00 N HETATM 175 CA BB9 A 15 8.521 2.527 1.987 1.00 1.00 C HETATM 176 C BB9 A 15 9.904 2.212 2.280 1.00 1.00 C HETATM 177 O BB9 A 15 10.543 2.692 3.215 1.00 1.00 O HETATM 178 CB BB9 A 15 7.755 3.445 2.774 1.00 1.00 C HETATM 179 SG BB9 A 15 6.204 3.545 2.121 1.00 1.00 S HETATM 180 HB BB9 A 15 8.111 3.983 3.640 1.00 1.00 H HETATM 181 N DHA A 16 10.413 1.329 1.417 1.00 1.00 N HETATM 182 CA DHA A 16 11.791 0.805 1.407 1.00 1.00 C HETATM 183 CB DHA A 16 12.768 1.164 2.228 1.00 1.00 C HETATM 184 C DHA A 16 12.007 -0.194 0.371 1.00 1.00 C HETATM 185 O DHA A 16 11.045 -0.468 -0.345 1.00 1.00 O HETATM 186 H DHA A 16 9.806 0.998 0.723 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.591 1.904 2.992 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.745 0.713 2.134 1.00 1.00 H HETATM 189 N DHA A 17 13.212 -0.753 0.234 1.00 1.00 N HETATM 190 CA DHA A 17 13.589 -1.787 -0.748 1.00 1.00 C HETATM 191 CB DHA A 17 12.765 -2.399 -1.587 1.00 1.00 C HETATM 192 C DHA A 17 15.008 -2.100 -0.726 1.00 1.00 C HETATM 193 O DHA A 17 15.711 -1.491 0.079 1.00 1.00 O HETATM 194 H DHA A 17 13.913 -0.438 0.841 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.714 -2.156 -1.591 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.146 -3.145 -2.269 1.00 1.00 H HETATM 197 N NH2 A 18 15.492 -3.015 -1.560 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.450 -3.223 -1.542 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.887 -3.470 -2.181 1.00 1.00 H TER 200 NH2 A 18