HETATM 1 O12 QUA A 0 0.578 -1.197 -0.414 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.568 -1.189 0.038 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.757 -1.643 -0.750 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.988 -1.639 -0.170 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.527 -2.049 -2.058 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.021 -2.063 -0.951 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.605 -2.478 -2.834 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.392 -2.053 -0.283 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.886 -2.485 -2.264 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.002 -0.768 -0.436 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.334 -3.137 -0.880 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.374 -2.930 -4.276 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.145 -2.402 -4.791 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.080 -2.917 -3.007 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.335 -4.450 -4.350 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.191 -3.214 -2.404 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.528 -2.032 -2.469 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.275 -2.253 0.773 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.371 -0.157 -0.820 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.352 -2.892 -0.624 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.183 -2.582 -4.898 1.00 1.00 H HETATM 22 H15 QUA A 0 -1.237 -2.237 -5.733 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.034 -2.987 -4.083 1.00 1.00 H HETATM 24 H141 QUA A 0 -2.243 -4.758 -5.380 1.00 1.00 H HETATM 25 H142 QUA A 0 -3.245 -4.855 -3.933 1.00 1.00 H HETATM 26 H143 QUA A 0 -1.487 -4.816 -3.788 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.039 -3.524 -2.994 1.00 1.00 H ATOM 28 N ILE A 1 -6.028 -4.503 -0.356 1.00 1.00 N ATOM 29 CA ILE A 1 -6.375 -4.677 1.085 1.00 1.00 C ATOM 30 C ILE A 1 -5.133 -4.909 1.924 1.00 1.00 C ATOM 31 O ILE A 1 -5.176 -4.829 3.152 1.00 1.00 O ATOM 32 CB ILE A 1 -7.353 -5.853 1.293 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.866 -7.096 0.539 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.752 -5.458 0.842 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.604 -8.366 0.914 1.00 1.00 C ATOM 36 H ILE A 1 -5.075 -4.691 -0.483 1.00 1.00 H ATOM 37 HA ILE A 1 -6.850 -3.777 1.430 1.00 1.00 H ATOM 38 HB ILE A 1 -7.393 -6.075 2.350 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.998 -6.940 -0.521 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.818 -7.250 0.746 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.070 -4.578 1.381 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.439 -6.267 1.040 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.742 -5.247 -0.217 1.00 1.00 H ATOM 44 HD11 ILE A 1 -8.648 -8.267 0.655 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.512 -8.535 1.977 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.178 -9.201 0.378 1.00 1.00 H ATOM 47 N ALA A 2 -4.024 -5.190 1.251 1.00 1.00 N ATOM 48 CA ALA A 2 -2.786 -5.534 1.931 1.00 1.00 C ATOM 49 C ALA A 2 -1.633 -5.623 0.939 1.00 1.00 C ATOM 50 O ALA A 2 -1.714 -6.346 -0.053 1.00 1.00 O ATOM 51 CB ALA A 2 -2.960 -6.844 2.677 1.00 1.00 C ATOM 52 H ALA A 2 -4.040 -5.164 0.273 1.00 1.00 H ATOM 53 HA ALA A 2 -2.573 -4.758 2.652 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.114 -7.642 1.968 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.822 -6.769 3.327 1.00 1.00 H ATOM 56 HB3 ALA A 2 -2.079 -7.045 3.267 1.00 1.00 H HETATM 57 N DHA A 3 -0.561 -4.884 1.226 1.00 1.00 N HETATM 58 CA DHA A 3 0.607 -4.663 0.359 1.00 1.00 C HETATM 59 CB DHA A 3 0.801 -5.184 -0.844 1.00 1.00 C HETATM 60 C DHA A 3 1.573 -3.757 0.950 1.00 1.00 C HETATM 61 O DHA A 3 1.316 -3.306 2.064 1.00 1.00 O HETATM 62 H DHA A 3 -0.553 -4.446 2.103 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.066 -5.841 -1.278 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.695 -4.939 -1.398 1.00 1.00 H ATOM 65 N ALA A 4 2.672 -3.446 0.279 1.00 1.00 N ATOM 66 CA ALA A 4 3.571 -2.391 0.724 1.00 1.00 C ATOM 67 C ALA A 4 3.951 -1.505 -0.454 1.00 1.00 C ATOM 68 O ALA A 4 4.562 -1.978 -1.411 1.00 1.00 O ATOM 69 CB ALA A 4 4.806 -2.993 1.374 1.00 1.00 C ATOM 70 H ALA A 4 2.886 -3.939 -0.540 1.00 1.00 H ATOM 71 HA ALA A 4 3.052 -1.794 1.462 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.367 -3.547 0.636 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.503 -3.658 2.170 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.421 -2.204 1.778 1.00 1.00 H ATOM 75 N SER A 5 3.576 -0.222 -0.382 1.00 1.00 N ATOM 76 CA SER A 5 3.686 0.689 -1.588 1.00 1.00 C ATOM 77 C SER A 5 2.671 0.342 -2.571 1.00 1.00 C ATOM 78 CB SER A 5 5.126 0.684 -2.180 1.00 1.00 C ATOM 79 H SER A 5 3.206 0.119 0.466 1.00 1.00 H ATOM 80 HB2 SER A 5 5.339 -0.275 -2.623 1.00 1.00 H ATOM 81 HB3 SER A 5 5.208 1.453 -2.933 1.00 1.00 H HETATM 82 N BB9 A 6 1.474 0.827 -2.653 1.00 1.00 N HETATM 83 CA BB9 A 6 0.767 0.293 -3.670 1.00 1.00 C HETATM 84 C BB9 A 6 -0.599 0.673 -3.966 1.00 1.00 C HETATM 85 O BB9 A 6 -1.263 0.227 -4.902 1.00 1.00 O HETATM 86 CB BB9 A 6 1.481 -0.682 -4.430 1.00 1.00 C HETATM 87 SG BB9 A 6 3.023 -0.843 -3.774 1.00 1.00 S HETATM 88 HB BB9 A 6 1.096 -1.227 -5.280 1.00 1.00 H ATOM 89 N THR A 7 -1.082 1.559 -3.096 1.00 1.00 N ATOM 90 CA THR A 7 -2.449 2.059 -3.185 1.00 1.00 C ATOM 91 C THR A 7 -2.499 3.563 -2.932 1.00 1.00 C ATOM 92 O THR A 7 -1.507 4.170 -2.529 1.00 1.00 O ATOM 93 CB THR A 7 -3.378 1.345 -2.180 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.721 1.821 -2.328 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.914 1.562 -0.745 1.00 1.00 C ATOM 96 H THR A 7 -0.501 1.882 -2.375 1.00 1.00 H ATOM 97 HA THR A 7 -2.813 1.859 -4.182 1.00 1.00 H ATOM 98 HB THR A 7 -3.358 0.285 -2.391 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.781 2.720 -2.000 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.083 2.591 -0.462 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.861 1.336 -0.668 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.471 0.912 -0.085 1.00 1.00 H HETATM 103 N DBU A 8 -3.662 4.158 -3.173 1.00 1.00 N HETATM 104 CA DBU A 8 -3.940 5.585 -2.984 1.00 1.00 C HETATM 105 CB DBU A 8 -3.404 6.560 -3.714 1.00 1.00 C HETATM 106 CG DBU A 8 -2.412 6.302 -4.860 1.00 1.00 C HETATM 107 C DBU A 8 -4.893 5.901 -1.894 1.00 1.00 C HETATM 108 H DBU A 8 -4.391 3.592 -3.502 1.00 1.00 H HETATM 109 HB DBU A 8 -3.676 7.580 -3.494 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.141 7.241 -5.319 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.872 5.660 -5.596 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.526 5.824 -4.468 1.00 1.00 H HETATM 113 N DCY A 9 -5.391 4.988 -1.103 1.00 1.00 N HETATM 114 CA DCY A 9 -6.319 5.565 -0.118 1.00 1.00 C HETATM 115 C DCY A 9 -6.262 4.897 1.242 1.00 1.00 C HETATM 116 O DCY A 9 -6.326 5.609 2.245 1.00 1.00 O HETATM 117 CB DCY A 9 -6.000 7.051 0.012 1.00 1.00 C HETATM 118 SG DCY A 9 -5.420 7.527 -1.619 1.00 1.00 S HETATM 119 HA DCY A 9 -7.323 5.472 -0.501 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.892 7.603 0.287 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.214 7.212 0.730 1.00 1.00 H HETATM 122 N TS9 A 10 -6.148 3.571 1.298 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.241 2.859 2.570 1.00 1.00 C HETATM 124 C TS9 A 10 -4.936 3.000 3.355 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.616 1.352 2.351 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.554 0.704 1.675 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.865 0.675 3.663 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.901 1.313 1.451 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.867 2.151 2.099 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.512 -0.066 1.232 1.00 1.00 C HETATM 131 H TS9 A 10 -5.996 3.066 0.471 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.035 3.328 3.135 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.091 1.338 1.123 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -5.977 0.729 4.274 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.119 -0.361 3.494 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.681 1.166 4.172 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.672 1.735 0.483 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.389 1.624 2.709 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.168 -0.037 0.375 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.077 -0.350 2.108 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.727 -0.786 1.062 1.00 1.00 H HETATM 142 N BB9 A 11 -3.789 2.507 3.007 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.826 2.801 3.913 1.00 1.00 C HETATM 144 C BB9 A 11 -1.443 2.385 3.794 1.00 1.00 C HETATM 145 O BB9 A 11 -0.567 2.665 4.614 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.281 3.572 5.025 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.924 3.873 4.836 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.669 3.907 5.850 1.00 1.00 H ATOM 149 N THR A 12 -1.195 1.654 2.709 1.00 1.00 N ATOM 150 CA THR A 12 0.151 1.160 2.427 1.00 1.00 C ATOM 151 C THR A 12 0.766 1.893 1.248 1.00 1.00 C ATOM 152 CB THR A 12 0.179 -0.360 2.181 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.910 -0.767 1.257 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.024 -1.120 3.473 1.00 1.00 C ATOM 155 H THR A 12 -1.925 1.445 2.089 1.00 1.00 H ATOM 156 HA THR A 12 0.754 1.353 3.301 1.00 1.00 H ATOM 157 HB THR A 12 1.139 -0.636 1.768 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.738 -0.598 4.092 1.00 1.00 H ATOM 159 HG22 THR A 12 0.922 -1.190 3.990 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.390 -2.110 3.255 1.00 1.00 H HETATM 161 N BB9 A 13 1.893 1.580 0.713 1.00 1.00 N HETATM 162 CA BB9 A 13 2.206 2.387 -0.312 1.00 1.00 C HETATM 163 C BB9 A 13 3.490 2.154 -1.047 1.00 1.00 C HETATM 164 CB BB9 A 13 1.233 3.404 -0.580 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.028 3.237 0.527 1.00 1.00 S HETATM 166 HB BB9 A 13 1.297 4.150 -1.358 1.00 1.00 H HETATM 167 HC BB9 A 13 3.521 2.827 -1.894 1.00 1.00 H HETATM 168 N MH6 A 14 4.531 2.537 -0.077 1.00 1.00 N HETATM 169 CA MH6 A 14 5.690 1.982 -0.133 1.00 1.00 C HETATM 170 C MH6 A 14 6.666 2.437 0.883 1.00 1.00 C HETATM 171 CB MH6 A 14 6.150 0.957 -1.083 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.334 0.039 -0.549 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.069 1.283 -1.549 1.00 1.00 H HETATM 174 N BB9 A 15 7.865 1.971 0.979 1.00 1.00 N HETATM 175 CA BB9 A 15 8.549 2.555 1.988 1.00 1.00 C HETATM 176 C BB9 A 15 9.918 2.215 2.318 1.00 1.00 C HETATM 177 O BB9 A 15 10.567 2.743 3.221 1.00 1.00 O HETATM 178 CB BB9 A 15 7.803 3.541 2.710 1.00 1.00 C HETATM 179 SG BB9 A 15 6.262 3.648 2.034 1.00 1.00 S HETATM 180 HB BB9 A 15 8.166 4.120 3.547 1.00 1.00 H HETATM 181 N DHA A 16 10.399 1.249 1.535 1.00 1.00 N HETATM 182 CA DHA A 16 11.746 0.653 1.602 1.00 1.00 C HETATM 183 CB DHA A 16 12.732 1.045 2.396 1.00 1.00 C HETATM 184 C DHA A 16 11.918 -0.461 0.681 1.00 1.00 C HETATM 185 O DHA A 16 10.950 -0.758 -0.018 1.00 1.00 O HETATM 186 H DHA A 16 9.790 0.897 0.852 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.589 1.872 3.073 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.684 0.536 2.365 1.00 1.00 H HETATM 189 N DHA A 17 13.086 -1.106 0.637 1.00 1.00 N HETATM 190 CA DHA A 17 13.420 -2.251 -0.230 1.00 1.00 C HETATM 191 CB DHA A 17 12.635 -2.779 -1.158 1.00 1.00 C HETATM 192 C DHA A 17 14.746 -2.788 0.025 1.00 1.00 C HETATM 193 O DHA A 17 15.418 -2.247 0.902 1.00 1.00 O HETATM 194 H DHA A 17 13.785 -0.788 1.246 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.653 -2.372 -1.335 1.00 1.00 H HETATM 196 HB2 DHA A 17 12.979 -3.621 -1.738 1.00 1.00 H HETATM 197 N NH2 A 18 15.184 -3.824 -0.684 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.079 -4.182 -0.509 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.607 -4.216 -1.371 1.00 1.00 H TER 200 NH2 A 18