HETATM 1 O12 QUA A 0 0.560 -1.201 -0.425 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.583 -1.196 0.036 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.777 -1.653 -0.746 1.00 1.00 C HETATM 4 N1 QUA A 0 -3.003 -1.657 -0.156 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.555 -2.052 -2.058 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.040 -2.082 -0.930 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.637 -2.482 -2.827 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.407 -2.084 -0.253 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.913 -2.496 -2.247 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.030 -0.802 -0.395 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.344 -3.173 -0.847 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.414 -2.926 -4.272 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.194 -2.386 -4.796 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.112 -2.930 -2.983 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.361 -4.445 -4.350 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.215 -3.238 -2.373 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.561 -2.028 -2.477 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.282 -2.287 0.801 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.870 -0.464 -1.279 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.362 -2.944 -0.578 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.232 -2.584 -4.886 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.498 -3.043 -4.728 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.076 -2.992 -4.060 1.00 1.00 H HETATM 24 H141 QUA A 0 -2.264 -4.749 -5.382 1.00 1.00 H HETATM 25 H142 QUA A 0 -3.269 -4.859 -3.936 1.00 1.00 H HETATM 26 H143 QUA A 0 -1.512 -4.805 -3.787 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.068 -3.548 -2.957 1.00 1.00 H ATOM 28 N ILE A 1 -6.012 -4.540 -0.341 1.00 1.00 N ATOM 29 CA ILE A 1 -6.346 -4.737 1.101 1.00 1.00 C ATOM 30 C ILE A 1 -5.095 -4.951 1.931 1.00 1.00 C ATOM 31 O ILE A 1 -5.126 -4.850 3.157 1.00 1.00 O ATOM 32 CB ILE A 1 -7.302 -5.932 1.298 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.748 -7.185 0.606 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.686 -5.586 0.767 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.565 -8.435 0.859 1.00 1.00 C ATOM 36 H ILE A 1 -5.057 -4.710 -0.477 1.00 1.00 H ATOM 37 HA ILE A 1 -6.836 -3.849 1.458 1.00 1.00 H ATOM 38 HB ILE A 1 -7.389 -6.124 2.358 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.726 -7.018 -0.461 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.744 -7.370 0.956 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.009 -4.645 1.188 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.385 -6.361 1.044 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.648 -5.503 -0.309 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.722 -8.554 1.921 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.037 -9.295 0.475 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.520 -8.348 0.361 1.00 1.00 H ATOM 47 N ALA A 2 -3.990 -5.241 1.253 1.00 1.00 N ATOM 48 CA ALA A 2 -2.737 -5.538 1.930 1.00 1.00 C ATOM 49 C ALA A 2 -1.586 -5.623 0.934 1.00 1.00 C ATOM 50 O ALA A 2 -1.666 -6.352 -0.055 1.00 1.00 O ATOM 51 CB ALA A 2 -2.873 -6.831 2.713 1.00 1.00 C ATOM 52 H ALA A 2 -4.019 -5.258 0.274 1.00 1.00 H ATOM 53 HA ALA A 2 -2.539 -4.739 2.629 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.971 -7.657 2.026 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.756 -6.777 3.337 1.00 1.00 H ATOM 56 HB3 ALA A 2 -2.001 -6.974 3.331 1.00 1.00 H HETATM 57 N DHA A 3 -0.518 -4.876 1.215 1.00 1.00 N HETATM 58 CA DHA A 3 0.647 -4.650 0.343 1.00 1.00 C HETATM 59 CB DHA A 3 0.835 -5.166 -0.864 1.00 1.00 C HETATM 60 C DHA A 3 1.617 -3.748 0.933 1.00 1.00 C HETATM 61 O DHA A 3 1.365 -3.301 2.051 1.00 1.00 O HETATM 62 H DHA A 3 -0.509 -4.436 2.091 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.098 -5.820 -1.298 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.727 -4.918 -1.422 1.00 1.00 H ATOM 65 N ALA A 4 2.714 -3.437 0.258 1.00 1.00 N ATOM 66 CA ALA A 4 3.614 -2.383 0.701 1.00 1.00 C ATOM 67 C ALA A 4 3.983 -1.490 -0.475 1.00 1.00 C ATOM 68 O ALA A 4 4.600 -1.953 -1.433 1.00 1.00 O ATOM 69 CB ALA A 4 4.855 -2.982 1.340 1.00 1.00 C ATOM 70 H ALA A 4 2.928 -3.932 -0.560 1.00 1.00 H ATOM 71 HA ALA A 4 3.099 -1.789 1.444 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.407 -3.540 0.600 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.561 -3.642 2.144 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.476 -2.191 1.733 1.00 1.00 H ATOM 75 N SER A 5 3.587 -0.214 -0.401 1.00 1.00 N ATOM 76 CA SER A 5 3.691 0.706 -1.601 1.00 1.00 C ATOM 77 C SER A 5 2.677 0.356 -2.588 1.00 1.00 C ATOM 78 CB SER A 5 5.131 0.716 -2.194 1.00 1.00 C ATOM 79 H SER A 5 3.204 0.117 0.446 1.00 1.00 H ATOM 80 HB2 SER A 5 5.352 -0.239 -2.643 1.00 1.00 H ATOM 81 HB3 SER A 5 5.205 1.490 -2.944 1.00 1.00 H HETATM 82 N BB9 A 6 1.475 0.833 -2.666 1.00 1.00 N HETATM 83 CA BB9 A 6 0.773 0.299 -3.687 1.00 1.00 C HETATM 84 C BB9 A 6 -0.598 0.670 -3.982 1.00 1.00 C HETATM 85 O BB9 A 6 -1.256 0.229 -4.925 1.00 1.00 O HETATM 86 CB BB9 A 6 1.493 -0.667 -4.452 1.00 1.00 C HETATM 87 SG BB9 A 6 3.038 -0.819 -3.797 1.00 1.00 S HETATM 88 HB BB9 A 6 1.113 -1.210 -5.305 1.00 1.00 H ATOM 89 N THR A 7 -1.091 1.538 -3.101 1.00 1.00 N ATOM 90 CA THR A 7 -2.460 2.038 -3.191 1.00 1.00 C ATOM 91 C THR A 7 -2.508 3.545 -2.951 1.00 1.00 C ATOM 92 O THR A 7 -1.509 4.153 -2.568 1.00 1.00 O ATOM 93 CB THR A 7 -3.386 1.332 -2.177 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.727 1.819 -2.313 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.906 1.549 -0.747 1.00 1.00 C ATOM 96 H THR A 7 -0.518 1.851 -2.370 1.00 1.00 H ATOM 97 HA THR A 7 -2.828 1.831 -4.186 1.00 1.00 H ATOM 98 HB THR A 7 -3.377 0.273 -2.385 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.341 1.083 -2.272 1.00 1.00 H ATOM 100 HG21 THR A 7 -1.853 1.323 -0.682 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.456 0.897 -0.082 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.074 2.577 -0.461 1.00 1.00 H HETATM 103 N DBU A 8 -3.674 4.140 -3.179 1.00 1.00 N HETATM 104 CA DBU A 8 -3.941 5.572 -3.010 1.00 1.00 C HETATM 105 CB DBU A 8 -3.406 6.532 -3.762 1.00 1.00 C HETATM 106 CG DBU A 8 -2.427 6.248 -4.912 1.00 1.00 C HETATM 107 C DBU A 8 -4.883 5.914 -1.916 1.00 1.00 C HETATM 108 H DBU A 8 -4.412 3.571 -3.482 1.00 1.00 H HETATM 109 HB DBU A 8 -3.670 7.557 -3.557 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.156 7.178 -5.390 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.897 5.596 -5.632 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.539 5.773 -4.521 1.00 1.00 H HETATM 113 N DCY A 9 -5.391 5.017 -1.111 1.00 1.00 N HETATM 114 CA DCY A 9 -6.304 5.620 -0.128 1.00 1.00 C HETATM 115 C DCY A 9 -6.260 4.963 1.238 1.00 1.00 C HETATM 116 O DCY A 9 -6.356 5.681 2.235 1.00 1.00 O HETATM 117 CB DCY A 9 -5.955 7.103 -0.013 1.00 1.00 C HETATM 118 SG DCY A 9 -5.381 7.551 -1.655 1.00 1.00 S HETATM 119 HA DCY A 9 -7.311 5.544 -0.508 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.835 7.675 0.265 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.160 7.255 0.696 1.00 1.00 H HETATM 122 N TS9 A 10 -6.123 3.640 1.306 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.238 2.931 2.578 1.00 1.00 C HETATM 124 C TS9 A 10 -4.931 3.038 3.366 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.654 1.435 2.361 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.610 0.754 1.691 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.930 0.767 3.673 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.936 1.433 1.453 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.878 2.308 2.090 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.591 0.075 1.242 1.00 1.00 C HETATM 131 H TS9 A 10 -5.941 3.133 0.487 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.018 3.423 3.143 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.167 1.358 1.090 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.728 1.287 4.182 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.040 0.790 4.284 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.221 -0.258 3.505 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.687 1.840 0.485 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.769 2.059 1.834 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.276 0.131 0.408 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.133 -0.207 2.133 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.832 -0.664 1.036 1.00 1.00 H HETATM 142 N BB9 A 11 -3.788 2.535 3.012 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.823 2.800 3.925 1.00 1.00 C HETATM 144 C BB9 A 11 -1.443 2.367 3.804 1.00 1.00 C HETATM 145 O BB9 A 11 -0.568 2.624 4.632 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.270 3.559 5.050 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.909 3.885 4.862 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.657 3.871 5.882 1.00 1.00 H ATOM 149 N THR A 12 -1.199 1.651 2.707 1.00 1.00 N ATOM 150 CA THR A 12 0.146 1.156 2.419 1.00 1.00 C ATOM 151 C THR A 12 0.757 1.888 1.238 1.00 1.00 C ATOM 152 CB THR A 12 0.175 -0.365 2.173 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.918 -0.776 1.256 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.016 -1.125 3.467 1.00 1.00 C ATOM 155 H THR A 12 -1.930 1.454 2.086 1.00 1.00 H ATOM 156 HA THR A 12 0.753 1.349 3.290 1.00 1.00 H ATOM 157 HB THR A 12 1.134 -0.639 1.755 1.00 1.00 H ATOM 158 HG21 THR A 12 0.929 -1.171 3.988 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.360 -2.124 3.250 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.743 -0.615 4.081 1.00 1.00 H HETATM 161 N BB9 A 13 1.889 1.584 0.710 1.00 1.00 N HETATM 162 CA BB9 A 13 2.198 2.387 -0.320 1.00 1.00 C HETATM 163 C BB9 A 13 3.488 2.163 -1.045 1.00 1.00 C HETATM 164 CB BB9 A 13 1.215 3.390 -0.599 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.049 3.217 0.503 1.00 1.00 S HETATM 166 HB BB9 A 13 1.274 4.131 -1.383 1.00 1.00 H HETATM 167 HC BB9 A 13 3.529 2.846 -1.882 1.00 1.00 H HETATM 168 N MH6 A 14 4.517 2.528 -0.059 1.00 1.00 N HETATM 169 CA MH6 A 14 5.682 1.985 -0.122 1.00 1.00 C HETATM 170 C MH6 A 14 6.645 2.417 0.914 1.00 1.00 C HETATM 171 CB MH6 A 14 6.157 0.992 -1.098 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.367 0.068 -0.585 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.065 1.349 -1.565 1.00 1.00 H HETATM 174 N BB9 A 15 7.855 1.973 0.994 1.00 1.00 N HETATM 175 CA BB9 A 15 8.522 2.527 2.031 1.00 1.00 C HETATM 176 C BB9 A 15 9.898 2.206 2.351 1.00 1.00 C HETATM 177 O BB9 A 15 10.525 2.694 3.291 1.00 1.00 O HETATM 178 CB BB9 A 15 7.753 3.464 2.792 1.00 1.00 C HETATM 179 SG BB9 A 15 6.212 3.567 2.116 1.00 1.00 S HETATM 180 HB BB9 A 15 8.101 4.012 3.655 1.00 1.00 H HETATM 181 N DHA A 16 10.422 1.322 1.500 1.00 1.00 N HETATM 182 CA DHA A 16 11.785 0.760 1.550 1.00 1.00 C HETATM 183 CB DHA A 16 12.664 0.936 2.526 1.00 1.00 C HETATM 184 C DHA A 16 12.109 -0.041 0.381 1.00 1.00 C HETATM 185 O DHA A 16 11.235 -0.149 -0.479 1.00 1.00 O HETATM 186 H DHA A 16 9.844 1.028 0.766 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.408 1.534 3.386 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.640 0.480 2.461 1.00 1.00 H HETATM 189 N DHA A 17 13.311 -0.615 0.288 1.00 1.00 N HETATM 190 CA DHA A 17 13.802 -1.443 -0.829 1.00 1.00 C HETATM 191 CB DHA A 17 13.133 -1.729 -1.937 1.00 1.00 C HETATM 192 C DHA A 17 15.147 -1.952 -0.613 1.00 1.00 C HETATM 193 O DHA A 17 15.707 -1.648 0.440 1.00 1.00 O HETATM 194 H DHA A 17 13.923 -0.471 1.039 1.00 1.00 H HETATM 195 HB1 DHA A 17 12.136 -1.345 -2.085 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.587 -2.348 -2.697 1.00 1.00 H HETATM 197 N NH2 A 18 15.718 -2.714 -1.539 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.625 -3.054 -1.390 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.227 -2.925 -2.360 1.00 1.00 H TER 200 NH2 A 18