HETATM 1 O12 QUA A 0 0.606 -1.137 -0.392 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.541 -1.157 0.056 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.717 -1.638 -0.739 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.951 -1.664 -0.167 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.468 -2.040 -2.044 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.969 -2.113 -0.955 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.528 -2.493 -2.828 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.346 -2.136 -0.297 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.814 -2.531 -2.268 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.977 -0.857 -0.426 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.271 -3.225 -0.914 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.274 -2.941 -4.266 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.063 -2.368 -4.777 1.00 1.00 O HETATM 14 C5 QUA A 0 -4.991 -2.989 -3.023 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.173 -4.457 -4.329 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.103 -3.302 -2.435 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.468 -1.999 -2.448 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.232 -2.354 0.756 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.268 -0.734 -1.332 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.295 -2.988 -0.675 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.093 -2.629 -4.894 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.581 -3.031 -5.279 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.931 -3.063 -4.098 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.368 -4.792 -3.690 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.978 -4.764 -5.345 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.103 -4.894 -3.993 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.938 -3.630 -3.037 1.00 1.00 H ATOM 28 N ILE A 1 -5.962 -4.589 -0.394 1.00 1.00 N ATOM 29 CA ILE A 1 -6.355 -4.785 1.033 1.00 1.00 C ATOM 30 C ILE A 1 -5.138 -5.035 1.903 1.00 1.00 C ATOM 31 O ILE A 1 -5.214 -4.967 3.130 1.00 1.00 O ATOM 32 CB ILE A 1 -7.345 -5.957 1.188 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.841 -7.189 0.423 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.725 -5.542 0.698 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.660 -8.439 0.670 1.00 1.00 C ATOM 36 H ILE A 1 -5.004 -4.763 -0.493 1.00 1.00 H ATOM 37 HA ILE A 1 -6.835 -3.888 1.377 1.00 1.00 H ATOM 38 HB ILE A 1 -7.420 -6.199 2.237 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.869 -6.982 -0.637 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.823 -7.396 0.716 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.438 -6.321 0.925 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.696 -5.382 -0.370 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.022 -4.628 1.190 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.727 -8.620 1.733 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.183 -9.282 0.191 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.652 -8.308 0.264 1.00 1.00 H ATOM 47 N ALA A 2 -4.013 -5.318 1.257 1.00 1.00 N ATOM 48 CA ALA A 2 -2.786 -5.650 1.965 1.00 1.00 C ATOM 49 C ALA A 2 -1.610 -5.739 0.999 1.00 1.00 C ATOM 50 O ALA A 2 -1.606 -6.568 0.089 1.00 1.00 O ATOM 51 CB ALA A 2 -2.966 -6.954 2.719 1.00 1.00 C ATOM 52 H ALA A 2 -4.008 -5.303 0.278 1.00 1.00 H ATOM 53 HA ALA A 2 -2.592 -4.867 2.684 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.143 -7.093 3.402 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.997 -7.772 2.016 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.895 -6.919 3.272 1.00 1.00 H HETATM 57 N DHA A 3 -0.612 -4.883 1.219 1.00 1.00 N HETATM 58 CA DHA A 3 0.537 -4.635 0.335 1.00 1.00 C HETATM 59 CB DHA A 3 0.703 -5.125 -0.886 1.00 1.00 C HETATM 60 C DHA A 3 1.518 -3.748 0.928 1.00 1.00 C HETATM 61 O DHA A 3 1.288 -3.327 2.060 1.00 1.00 O HETATM 62 H DHA A 3 -0.643 -4.382 2.061 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.044 -5.770 -1.320 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.584 -4.866 -1.455 1.00 1.00 H ATOM 65 N ALA A 4 2.601 -3.421 0.239 1.00 1.00 N ATOM 66 CA ALA A 4 3.517 -2.387 0.694 1.00 1.00 C ATOM 67 C ALA A 4 3.915 -1.499 -0.474 1.00 1.00 C ATOM 68 O ALA A 4 4.534 -1.971 -1.427 1.00 1.00 O ATOM 69 CB ALA A 4 4.742 -3.013 1.341 1.00 1.00 C ATOM 70 H ALA A 4 2.791 -3.888 -0.601 1.00 1.00 H ATOM 71 HA ALA A 4 3.010 -1.787 1.436 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.298 -3.567 0.599 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.427 -3.683 2.128 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.368 -2.237 1.756 1.00 1.00 H ATOM 75 N SER A 5 3.543 -0.216 -0.400 1.00 1.00 N ATOM 76 CA SER A 5 3.665 0.699 -1.603 1.00 1.00 C ATOM 77 C SER A 5 2.649 0.360 -2.592 1.00 1.00 C ATOM 78 CB SER A 5 5.107 0.687 -2.191 1.00 1.00 C ATOM 79 H SER A 5 3.168 0.124 0.447 1.00 1.00 H ATOM 80 HB2 SER A 5 5.316 -0.271 -2.638 1.00 1.00 H ATOM 81 HB3 SER A 5 5.197 1.459 -2.941 1.00 1.00 H HETATM 82 N BB9 A 6 1.447 0.839 -2.666 1.00 1.00 N HETATM 83 CA BB9 A 6 0.742 0.316 -3.691 1.00 1.00 C HETATM 84 C BB9 A 6 -0.628 0.690 -3.983 1.00 1.00 C HETATM 85 O BB9 A 6 -1.290 0.243 -4.920 1.00 1.00 O HETATM 86 CB BB9 A 6 1.462 -0.645 -4.465 1.00 1.00 C HETATM 87 SG BB9 A 6 3.006 -0.805 -3.812 1.00 1.00 S HETATM 88 HB BB9 A 6 1.080 -1.179 -5.322 1.00 1.00 H ATOM 89 N THR A 7 -1.115 1.572 -3.112 1.00 1.00 N ATOM 90 CA THR A 7 -2.492 2.053 -3.193 1.00 1.00 C ATOM 91 C THR A 7 -2.564 3.559 -2.962 1.00 1.00 C ATOM 92 O THR A 7 -1.575 4.188 -2.583 1.00 1.00 O ATOM 93 CB THR A 7 -3.401 1.337 -2.172 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.751 1.799 -2.306 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.923 1.572 -0.745 1.00 1.00 C ATOM 96 H THR A 7 -0.534 1.909 -2.399 1.00 1.00 H ATOM 97 HA THR A 7 -2.863 1.835 -4.185 1.00 1.00 H ATOM 98 HB THR A 7 -3.375 0.276 -2.374 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.338 1.048 -2.417 1.00 1.00 H ATOM 100 HG21 THR A 7 -1.867 1.358 -0.679 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.463 0.920 -0.074 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.102 2.600 -0.467 1.00 1.00 H HETATM 103 N DBU A 8 -3.741 4.133 -3.191 1.00 1.00 N HETATM 104 CA DBU A 8 -4.031 5.564 -3.047 1.00 1.00 C HETATM 105 CB DBU A 8 -3.552 6.512 -3.848 1.00 1.00 C HETATM 106 CG DBU A 8 -2.625 6.216 -5.036 1.00 1.00 C HETATM 107 C DBU A 8 -4.926 5.920 -1.918 1.00 1.00 C HETATM 108 H DBU A 8 -4.472 3.548 -3.479 1.00 1.00 H HETATM 109 HB DBU A 8 -3.827 7.538 -3.657 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.399 7.136 -5.554 1.00 1.00 H HETATM 111 HG2 DBU A 8 -3.116 5.533 -5.714 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.710 5.770 -4.677 1.00 1.00 H HETATM 113 N DCY A 9 -5.417 5.032 -1.095 1.00 1.00 N HETATM 114 CA DCY A 9 -6.280 5.655 -0.078 1.00 1.00 C HETATM 115 C DCY A 9 -6.213 4.987 1.281 1.00 1.00 C HETATM 116 O DCY A 9 -6.260 5.700 2.284 1.00 1.00 O HETATM 117 CB DCY A 9 -5.878 7.122 0.033 1.00 1.00 C HETATM 118 SG DCY A 9 -5.383 7.566 -1.634 1.00 1.00 S HETATM 119 HA DCY A 9 -7.299 5.615 -0.427 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.722 7.719 0.365 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.039 7.240 0.697 1.00 1.00 H HETATM 122 N TS9 A 10 -6.109 3.661 1.336 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.208 2.945 2.606 1.00 1.00 C HETATM 124 C TS9 A 10 -4.899 3.071 3.390 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.597 1.444 2.380 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.535 0.782 1.717 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.875 0.766 3.687 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.869 1.423 1.461 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.835 2.270 2.098 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.490 0.052 1.229 1.00 1.00 C HETATM 131 H TS9 A 10 -5.961 3.156 0.509 1.00 1.00 H HETATM 132 HA TS9 A 10 -6.995 3.420 3.174 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.411 1.169 0.847 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -6.009 0.839 4.325 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.105 -0.275 3.512 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.717 1.243 4.167 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.620 1.844 0.499 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.561 2.440 1.493 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -7.710 -0.683 1.110 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.099 0.078 0.337 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.106 -0.212 2.077 1.00 1.00 H HETATM 142 N BB9 A 11 -3.758 2.560 3.044 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.791 2.844 3.949 1.00 1.00 C HETATM 144 C BB9 A 11 -1.414 2.408 3.830 1.00 1.00 C HETATM 145 O BB9 A 11 -0.535 2.672 4.650 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.235 3.625 5.060 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.874 3.946 4.870 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.619 3.952 5.884 1.00 1.00 H ATOM 149 N THR A 12 -1.179 1.680 2.740 1.00 1.00 N ATOM 150 CA THR A 12 0.163 1.182 2.445 1.00 1.00 C ATOM 151 C THR A 12 0.764 1.907 1.254 1.00 1.00 C ATOM 152 CB THR A 12 0.186 -0.339 2.206 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.894 -0.749 1.276 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.028 -1.093 3.499 1.00 1.00 C ATOM 155 H THR A 12 -1.915 1.476 2.127 1.00 1.00 H ATOM 156 HA THR A 12 0.777 1.380 3.311 1.00 1.00 H ATOM 157 HB THR A 12 1.150 -0.619 1.803 1.00 1.00 H ATOM 158 HG21 THR A 12 0.909 -1.144 4.034 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.374 -2.091 3.280 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.760 -0.577 4.101 1.00 1.00 H HETATM 161 N BB9 A 13 1.891 1.598 0.720 1.00 1.00 N HETATM 162 CA BB9 A 13 2.191 2.392 -0.319 1.00 1.00 C HETATM 163 C BB9 A 13 3.477 2.160 -1.053 1.00 1.00 C HETATM 164 CB BB9 A 13 1.206 3.392 -0.600 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.050 3.228 0.514 1.00 1.00 S HETATM 166 HB BB9 A 13 1.257 4.126 -1.390 1.00 1.00 H HETATM 167 HC BB9 A 13 3.513 2.839 -1.893 1.00 1.00 H HETATM 168 N MH6 A 14 4.515 2.526 -0.075 1.00 1.00 N HETATM 169 CA MH6 A 14 5.673 1.965 -0.130 1.00 1.00 C HETATM 170 C MH6 A 14 6.642 2.402 0.896 1.00 1.00 C HETATM 171 CB MH6 A 14 6.131 0.949 -1.089 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.313 0.024 -0.564 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.052 1.277 -1.552 1.00 1.00 H HETATM 174 N BB9 A 15 7.843 1.937 0.991 1.00 1.00 N HETATM 175 CA BB9 A 15 8.518 2.506 2.016 1.00 1.00 C HETATM 176 C BB9 A 15 9.887 2.171 2.351 1.00 1.00 C HETATM 177 O BB9 A 15 10.520 2.682 3.275 1.00 1.00 O HETATM 178 CB BB9 A 15 7.764 3.476 2.750 1.00 1.00 C HETATM 179 SG BB9 A 15 6.228 3.591 2.066 1.00 1.00 S HETATM 180 HB BB9 A 15 8.119 4.041 3.600 1.00 1.00 H HETATM 181 N DHA A 16 10.391 1.230 1.550 1.00 1.00 N HETATM 182 CA DHA A 16 11.756 0.673 1.605 1.00 1.00 C HETATM 183 CB DHA A 16 12.730 1.080 2.407 1.00 1.00 C HETATM 184 C DHA A 16 11.962 -0.415 0.663 1.00 1.00 C HETATM 185 O DHA A 16 11.004 -0.731 -0.041 1.00 1.00 O HETATM 186 H DHA A 16 9.790 0.871 0.864 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.562 1.889 3.100 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.697 0.602 2.368 1.00 1.00 H HETATM 189 N DHA A 17 13.156 -1.013 0.596 1.00 1.00 N HETATM 190 CA DHA A 17 13.526 -2.133 -0.290 1.00 1.00 C HETATM 191 CB DHA A 17 12.706 -2.788 -1.098 1.00 1.00 C HETATM 192 C DHA A 17 14.935 -2.483 -0.207 1.00 1.00 C HETATM 193 O DHA A 17 15.637 -1.829 0.565 1.00 1.00 O HETATM 194 H DHA A 17 13.852 -0.665 1.191 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.662 -2.517 -1.149 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.081 -3.596 -1.709 1.00 1.00 H HETATM 197 N NH2 A 18 15.414 -3.474 -0.952 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.364 -3.704 -0.893 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.810 -3.960 -1.551 1.00 1.00 H TER 200 NH2 A 18