HETATM 1 O12 QUA A 0 0.625 -1.128 -0.385 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.522 -1.151 0.063 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.697 -1.623 -0.735 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.937 -1.623 -0.176 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.445 -2.045 -2.035 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.955 -2.065 -0.965 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.506 -2.493 -2.821 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.337 -2.056 -0.321 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.796 -2.502 -2.273 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.948 -0.771 -0.485 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.271 -3.142 -0.926 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.247 -2.961 -4.252 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.035 -2.399 -4.768 1.00 1.00 O HETATM 14 C5 QUA A 0 -4.975 -2.953 -3.029 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.153 -4.479 -4.295 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.095 -3.243 -2.444 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.440 -2.026 -2.430 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.237 -2.253 0.738 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.685 -0.397 -1.330 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.295 -2.889 -0.696 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.064 -2.654 -4.887 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.368 -3.087 -4.837 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.909 -3.045 -4.102 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.346 -4.807 -3.658 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.963 -4.799 -5.310 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.081 -4.907 -3.950 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.930 -3.568 -3.047 1.00 1.00 H ATOM 28 N ILE A 1 -5.981 -4.500 -0.381 1.00 1.00 N ATOM 29 CA ILE A 1 -6.386 -4.667 1.045 1.00 1.00 C ATOM 30 C ILE A 1 -5.180 -4.930 1.928 1.00 1.00 C ATOM 31 O ILE A 1 -5.270 -4.860 3.154 1.00 1.00 O ATOM 32 CB ILE A 1 -7.403 -5.817 1.210 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.918 -7.074 0.476 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.770 -5.386 0.694 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.749 -8.308 0.766 1.00 1.00 C ATOM 36 H ILE A 1 -5.022 -4.684 -0.468 1.00 1.00 H ATOM 37 HA ILE A 1 -6.850 -3.756 1.373 1.00 1.00 H ATOM 38 HB ILE A 1 -7.497 -6.037 2.263 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.952 -6.897 -0.589 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.900 -7.284 0.768 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.057 -4.460 1.168 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.499 -6.149 0.923 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.723 -5.243 -0.376 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.814 -8.456 1.834 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.284 -9.170 0.310 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.741 -8.179 0.359 1.00 1.00 H ATOM 47 N ALA A 2 -4.050 -5.224 1.295 1.00 1.00 N ATOM 48 CA ALA A 2 -2.830 -5.549 2.016 1.00 1.00 C ATOM 49 C ALA A 2 -1.650 -5.671 1.056 1.00 1.00 C ATOM 50 O ALA A 2 -1.659 -6.513 0.159 1.00 1.00 O ATOM 51 CB ALA A 2 -3.023 -6.833 2.802 1.00 1.00 C ATOM 52 H ALA A 2 -4.039 -5.223 0.315 1.00 1.00 H ATOM 53 HA ALA A 2 -2.632 -4.749 2.716 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.937 -6.765 3.375 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.187 -6.978 3.469 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.090 -7.666 2.118 1.00 1.00 H HETATM 57 N DHA A 3 -0.637 -4.830 1.267 1.00 1.00 N HETATM 58 CA DHA A 3 0.509 -4.604 0.372 1.00 1.00 C HETATM 59 CB DHA A 3 0.656 -5.100 -0.848 1.00 1.00 C HETATM 60 C DHA A 3 1.512 -3.732 0.951 1.00 1.00 C HETATM 61 O DHA A 3 1.302 -3.304 2.084 1.00 1.00 O HETATM 62 H DHA A 3 -0.651 -4.325 2.108 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.105 -5.735 -1.272 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.536 -4.859 -1.425 1.00 1.00 H ATOM 65 N ALA A 4 2.592 -3.421 0.249 1.00 1.00 N ATOM 66 CA ALA A 4 3.525 -2.396 0.691 1.00 1.00 C ATOM 67 C ALA A 4 3.913 -1.508 -0.482 1.00 1.00 C ATOM 68 O ALA A 4 4.517 -1.981 -1.445 1.00 1.00 O ATOM 69 CB ALA A 4 4.752 -3.034 1.320 1.00 1.00 C ATOM 70 H ALA A 4 2.767 -3.895 -0.590 1.00 1.00 H ATOM 71 HA ALA A 4 3.033 -1.792 1.440 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.280 -3.611 0.575 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.442 -3.683 2.125 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.401 -2.262 1.707 1.00 1.00 H ATOM 75 N SER A 5 3.549 -0.223 -0.400 1.00 1.00 N ATOM 76 CA SER A 5 3.664 0.697 -1.598 1.00 1.00 C ATOM 77 C SER A 5 2.648 0.359 -2.585 1.00 1.00 C ATOM 78 CB SER A 5 5.103 0.690 -2.192 1.00 1.00 C ATOM 79 H SER A 5 3.183 0.114 0.453 1.00 1.00 H ATOM 80 HB2 SER A 5 5.313 -0.267 -2.642 1.00 1.00 H ATOM 81 HB3 SER A 5 5.187 1.464 -2.941 1.00 1.00 H HETATM 82 N BB9 A 6 1.448 0.845 -2.664 1.00 1.00 N HETATM 83 CA BB9 A 6 0.744 0.318 -3.687 1.00 1.00 C HETATM 84 C BB9 A 6 -0.624 0.696 -3.984 1.00 1.00 C HETATM 85 O BB9 A 6 -1.284 0.249 -4.922 1.00 1.00 O HETATM 86 CB BB9 A 6 1.460 -0.650 -4.453 1.00 1.00 C HETATM 87 SG BB9 A 6 3.002 -0.814 -3.797 1.00 1.00 S HETATM 88 HB BB9 A 6 1.077 -1.188 -5.308 1.00 1.00 H ATOM 89 N THR A 7 -1.111 1.582 -3.116 1.00 1.00 N ATOM 90 CA THR A 7 -2.489 2.058 -3.193 1.00 1.00 C ATOM 91 C THR A 7 -2.565 3.566 -2.978 1.00 1.00 C ATOM 92 O THR A 7 -1.577 4.205 -2.618 1.00 1.00 O ATOM 93 CB THR A 7 -3.385 1.352 -2.155 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.733 1.826 -2.263 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.875 1.584 -0.738 1.00 1.00 C ATOM 96 H THR A 7 -0.527 1.922 -2.406 1.00 1.00 H ATOM 97 HA THR A 7 -2.868 1.829 -4.178 1.00 1.00 H ATOM 98 HB THR A 7 -3.370 0.291 -2.354 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.915 2.440 -1.548 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.056 2.609 -0.451 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.814 1.382 -0.700 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.391 0.924 -0.057 1.00 1.00 H HETATM 103 N DBU A 8 -3.749 4.130 -3.199 1.00 1.00 N HETATM 104 CA DBU A 8 -4.050 5.556 -3.054 1.00 1.00 C HETATM 105 CB DBU A 8 -3.580 6.509 -3.855 1.00 1.00 C HETATM 106 CG DBU A 8 -2.650 6.221 -5.044 1.00 1.00 C HETATM 107 C DBU A 8 -4.948 5.901 -1.925 1.00 1.00 C HETATM 108 H DBU A 8 -4.476 3.537 -3.484 1.00 1.00 H HETATM 109 HB DBU A 8 -3.863 7.532 -3.664 1.00 1.00 H HETATM 110 HG1 DBU A 8 -1.721 5.804 -4.682 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.449 7.139 -5.575 1.00 1.00 H HETATM 112 HG3 DBU A 8 -3.125 5.516 -5.711 1.00 1.00 H HETATM 113 N DCY A 9 -5.440 5.004 -1.109 1.00 1.00 N HETATM 114 CA DCY A 9 -6.303 5.614 -0.087 1.00 1.00 C HETATM 115 C DCY A 9 -6.229 4.932 1.266 1.00 1.00 C HETATM 116 O DCY A 9 -6.289 5.632 2.277 1.00 1.00 O HETATM 117 CB DCY A 9 -5.910 7.084 0.038 1.00 1.00 C HETATM 118 SG DCY A 9 -5.405 7.544 -1.623 1.00 1.00 S HETATM 119 HA DCY A 9 -7.324 5.571 -0.433 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.760 7.674 0.367 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.077 7.202 0.708 1.00 1.00 H HETATM 122 N TS9 A 10 -6.103 3.606 1.303 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.211 2.869 2.560 1.00 1.00 C HETATM 124 C TS9 A 10 -4.917 3.000 3.367 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.573 1.365 2.303 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.459 0.713 1.723 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.947 0.684 3.583 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.768 1.334 1.286 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.751 2.245 1.796 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.418 -0.028 1.077 1.00 1.00 C HETATM 131 H TS9 A 10 -5.933 3.117 0.472 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.015 3.322 3.124 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.363 -0.162 2.108 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -6.171 0.838 4.317 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.067 -0.375 3.407 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.876 1.094 3.952 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.428 1.693 0.327 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.425 1.754 2.273 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.104 -0.227 1.886 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -7.654 -0.792 1.060 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -8.953 -0.033 0.140 1.00 1.00 H HETATM 142 N BB9 A 11 -3.764 2.511 3.031 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.815 2.793 3.955 1.00 1.00 C HETATM 144 C BB9 A 11 -1.431 2.375 3.846 1.00 1.00 C HETATM 145 O BB9 A 11 -0.563 2.643 4.679 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.287 3.551 5.071 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.927 3.853 4.860 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.688 3.874 5.909 1.00 1.00 H ATOM 149 N THR A 12 -1.177 1.659 2.752 1.00 1.00 N ATOM 150 CA THR A 12 0.171 1.171 2.465 1.00 1.00 C ATOM 151 C THR A 12 0.770 1.895 1.274 1.00 1.00 C ATOM 152 CB THR A 12 0.203 -0.351 2.223 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.876 -0.760 1.289 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.009 -1.110 3.514 1.00 1.00 C ATOM 155 H THR A 12 -1.905 1.457 2.129 1.00 1.00 H ATOM 156 HA THR A 12 0.782 1.373 3.333 1.00 1.00 H ATOM 157 HB THR A 12 1.169 -0.626 1.820 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.352 -2.108 3.292 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.744 -0.599 4.118 1.00 1.00 H ATOM 160 HG23 THR A 12 0.928 -1.162 4.048 1.00 1.00 H HETATM 161 N BB9 A 13 1.897 1.589 0.737 1.00 1.00 N HETATM 162 CA BB9 A 13 2.191 2.384 -0.303 1.00 1.00 C HETATM 163 C BB9 A 13 3.474 2.157 -1.043 1.00 1.00 C HETATM 164 CB BB9 A 13 1.202 3.381 -0.580 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.049 3.214 0.537 1.00 1.00 S HETATM 166 HB BB9 A 13 1.249 4.115 -1.371 1.00 1.00 H HETATM 167 HC BB9 A 13 3.506 2.839 -1.881 1.00 1.00 H HETATM 168 N MH6 A 14 4.515 2.523 -0.068 1.00 1.00 N HETATM 169 CA MH6 A 14 5.674 1.965 -0.133 1.00 1.00 C HETATM 170 C MH6 A 14 6.651 2.402 0.887 1.00 1.00 C HETATM 171 CB MH6 A 14 6.131 0.953 -1.097 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.319 0.029 -0.575 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.048 1.287 -1.563 1.00 1.00 H HETATM 174 N BB9 A 15 7.852 1.938 0.969 1.00 1.00 N HETATM 175 CA BB9 A 15 8.536 2.504 1.986 1.00 1.00 C HETATM 176 C BB9 A 15 9.909 2.166 2.306 1.00 1.00 C HETATM 177 O BB9 A 15 10.550 2.673 3.226 1.00 1.00 O HETATM 178 CB BB9 A 15 7.789 3.472 2.731 1.00 1.00 C HETATM 179 SG BB9 A 15 6.246 3.587 2.064 1.00 1.00 S HETATM 180 HB BB9 A 15 8.153 4.034 3.579 1.00 1.00 H HETATM 181 N DHA A 16 10.409 1.236 1.486 1.00 1.00 N HETATM 182 CA DHA A 16 11.765 0.654 1.545 1.00 1.00 C HETATM 183 CB DHA A 16 12.709 0.975 2.419 1.00 1.00 C HETATM 184 C DHA A 16 11.999 -0.350 0.518 1.00 1.00 C HETATM 185 O DHA A 16 11.070 -0.587 -0.253 1.00 1.00 O HETATM 186 H DHA A 16 9.813 0.912 0.779 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.522 1.721 3.174 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.672 0.487 2.375 1.00 1.00 H HETATM 189 N DHA A 17 13.185 -0.967 0.459 1.00 1.00 N HETATM 190 CA DHA A 17 13.594 -1.994 -0.518 1.00 1.00 C HETATM 191 CB DHA A 17 12.866 -2.436 -1.534 1.00 1.00 C HETATM 192 C DHA A 17 14.931 -2.512 -0.268 1.00 1.00 C HETATM 193 O DHA A 17 15.546 -2.050 0.693 1.00 1.00 O HETATM 194 H DHA A 17 13.844 -0.710 1.138 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.878 -2.043 -1.707 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.265 -3.194 -2.192 1.00 1.00 H HETATM 197 N NH2 A 18 15.436 -3.448 -1.065 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.337 -3.792 -0.890 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.903 -3.781 -1.817 1.00 1.00 H TER 200 NH2 A 18