HETATM 1 O12 QUA A 0 0.590 -1.181 -0.413 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.557 -1.190 0.038 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.738 -1.661 -0.751 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.968 -1.677 -0.169 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.503 -2.062 -2.060 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.994 -2.116 -0.948 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.575 -2.507 -2.835 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.364 -2.130 -0.278 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.856 -2.534 -2.263 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.998 -0.855 -0.423 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.284 -3.231 -0.874 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.338 -2.955 -4.278 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.129 -2.394 -4.801 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.044 -2.981 -3.004 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.254 -4.474 -4.343 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.148 -3.297 -2.400 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.505 -2.031 -2.472 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.240 -2.332 0.776 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.128 -0.665 -1.355 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.307 -3.013 -0.610 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.162 -2.635 -4.896 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.398 -2.992 -4.631 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.002 -3.045 -4.080 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.198 -4.901 -4.038 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.472 -4.820 -3.683 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.031 -4.779 -5.355 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.995 -3.617 -2.988 1.00 1.00 H ATOM 28 N ILE A 1 -5.938 -4.593 -0.365 1.00 1.00 N ATOM 29 CA ILE A 1 -6.305 -4.803 1.065 1.00 1.00 C ATOM 30 C ILE A 1 -5.070 -4.977 1.928 1.00 1.00 C ATOM 31 O ILE A 1 -5.123 -4.818 3.148 1.00 1.00 O ATOM 32 CB ILE A 1 -7.224 -6.032 1.233 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.625 -7.254 0.524 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.613 -5.722 0.694 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.377 -8.543 0.786 1.00 1.00 C ATOM 36 H ILE A 1 -4.976 -4.744 -0.478 1.00 1.00 H ATOM 37 HA ILE A 1 -6.835 -3.935 1.409 1.00 1.00 H ATOM 38 HB ILE A 1 -7.314 -6.244 2.289 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.630 -7.081 -0.541 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.607 -7.392 0.856 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.284 -6.535 0.933 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.565 -5.600 -0.378 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.979 -4.811 1.143 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.480 -8.691 1.851 1.00 1.00 H ATOM 45 HD12 ILE A 1 -6.830 -9.371 0.360 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.356 -8.488 0.334 1.00 1.00 H ATOM 47 N ALA A 2 -3.953 -5.298 1.285 1.00 1.00 N ATOM 48 CA ALA A 2 -2.713 -5.561 1.994 1.00 1.00 C ATOM 49 C ALA A 2 -1.545 -5.677 1.021 1.00 1.00 C ATOM 50 O ALA A 2 -1.580 -6.482 0.091 1.00 1.00 O ATOM 51 CB ALA A 2 -2.857 -6.824 2.824 1.00 1.00 C ATOM 52 H ALA A 2 -3.966 -5.358 0.307 1.00 1.00 H ATOM 53 HA ALA A 2 -2.531 -4.735 2.666 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.933 -7.678 2.167 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.754 -6.752 3.424 1.00 1.00 H ATOM 56 HB3 ALA A 2 -1.997 -6.935 3.467 1.00 1.00 H HETATM 57 N DHA A 3 -0.510 -4.869 1.258 1.00 1.00 N HETATM 58 CA DHA A 3 0.642 -4.640 0.373 1.00 1.00 C HETATM 59 CB DHA A 3 0.814 -5.151 -0.839 1.00 1.00 C HETATM 60 C DHA A 3 1.619 -3.740 0.954 1.00 1.00 C HETATM 61 O DHA A 3 1.383 -3.300 2.076 1.00 1.00 O HETATM 62 H DHA A 3 -0.516 -4.389 2.112 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.071 -5.806 -1.265 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.697 -4.902 -1.408 1.00 1.00 H ATOM 65 N ALA A 4 2.705 -3.421 0.264 1.00 1.00 N ATOM 66 CA ALA A 4 3.613 -2.373 0.704 1.00 1.00 C ATOM 67 C ALA A 4 3.981 -1.481 -0.473 1.00 1.00 C ATOM 68 O ALA A 4 4.610 -1.940 -1.426 1.00 1.00 O ATOM 69 CB ALA A 4 4.854 -2.983 1.335 1.00 1.00 C ATOM 70 H ALA A 4 2.903 -3.905 -0.565 1.00 1.00 H ATOM 71 HA ALA A 4 3.107 -1.779 1.451 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.392 -3.553 0.593 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.558 -3.635 2.144 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.487 -2.197 1.718 1.00 1.00 H ATOM 75 N SER A 5 3.572 -0.208 -0.404 1.00 1.00 N ATOM 76 CA SER A 5 3.663 0.709 -1.607 1.00 1.00 C ATOM 77 C SER A 5 2.639 0.360 -2.583 1.00 1.00 C ATOM 78 CB SER A 5 5.095 0.722 -2.217 1.00 1.00 C ATOM 79 H SER A 5 3.191 0.123 0.445 1.00 1.00 H ATOM 80 HB2 SER A 5 5.310 -0.231 -2.672 1.00 1.00 H ATOM 81 HB3 SER A 5 5.161 1.498 -2.965 1.00 1.00 H HETATM 82 N BB9 A 6 1.437 0.837 -2.653 1.00 1.00 N HETATM 83 CA BB9 A 6 0.726 0.302 -3.668 1.00 1.00 C HETATM 84 C BB9 A 6 -0.646 0.674 -3.952 1.00 1.00 C HETATM 85 O BB9 A 6 -1.312 0.230 -4.887 1.00 1.00 O HETATM 86 CB BB9 A 6 1.440 -0.664 -4.438 1.00 1.00 C HETATM 87 SG BB9 A 6 2.989 -0.817 -3.795 1.00 1.00 S HETATM 88 HB BB9 A 6 1.053 -1.207 -5.287 1.00 1.00 H ATOM 89 N THR A 7 -1.128 1.547 -3.071 1.00 1.00 N ATOM 90 CA THR A 7 -2.496 2.050 -3.150 1.00 1.00 C ATOM 91 C THR A 7 -2.536 3.556 -2.910 1.00 1.00 C ATOM 92 O THR A 7 -1.540 4.156 -2.505 1.00 1.00 O ATOM 93 CB THR A 7 -3.415 1.349 -2.128 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.747 1.868 -2.226 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.900 1.535 -0.706 1.00 1.00 C ATOM 96 H THR A 7 -0.547 1.862 -2.346 1.00 1.00 H ATOM 97 HA THR A 7 -2.872 1.842 -4.142 1.00 1.00 H ATOM 98 HB THR A 7 -3.433 0.293 -2.351 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.264 1.312 -2.813 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.440 0.880 -0.039 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.046 2.560 -0.400 1.00 1.00 H ATOM 102 HG23 THR A 7 -1.847 1.296 -0.670 1.00 1.00 H HETATM 103 N DBU A 8 -3.691 4.164 -3.163 1.00 1.00 N HETATM 104 CA DBU A 8 -3.940 5.602 -3.012 1.00 1.00 C HETATM 105 CB DBU A 8 -3.393 6.543 -3.775 1.00 1.00 C HETATM 106 CG DBU A 8 -2.419 6.231 -4.922 1.00 1.00 C HETATM 107 C DBU A 8 -4.875 5.973 -1.922 1.00 1.00 C HETATM 108 H DBU A 8 -4.431 3.603 -3.477 1.00 1.00 H HETATM 109 HB DBU A 8 -3.641 7.576 -3.583 1.00 1.00 H HETATM 110 HG1 DBU A 8 -1.538 5.748 -4.525 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.135 7.150 -5.413 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.899 5.576 -5.633 1.00 1.00 H HETATM 113 N DCY A 9 -5.426 5.093 -1.126 1.00 1.00 N HETATM 114 CA DCY A 9 -6.316 5.733 -0.145 1.00 1.00 C HETATM 115 C DCY A 9 -6.329 5.056 1.211 1.00 1.00 C HETATM 116 O DCY A 9 -6.562 5.746 2.205 1.00 1.00 O HETATM 117 CB DCY A 9 -5.883 7.189 -0.006 1.00 1.00 C HETATM 118 SG DCY A 9 -5.303 7.629 -1.646 1.00 1.00 S HETATM 119 HA DCY A 9 -7.319 5.722 -0.540 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.726 7.806 0.292 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.073 7.283 0.696 1.00 1.00 H HETATM 122 N TS9 A 10 -6.094 3.747 1.274 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.251 3.009 2.526 1.00 1.00 C HETATM 124 C TS9 A 10 -4.957 3.064 3.345 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.697 1.531 2.253 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.645 0.839 1.606 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -7.044 0.837 3.535 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.941 1.589 1.296 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.887 2.463 1.926 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.617 0.255 1.008 1.00 1.00 C HETATM 131 H TS9 A 10 -5.809 3.270 0.467 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.033 3.503 3.085 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.653 1.047 0.669 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -6.183 0.831 4.187 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.343 -0.179 3.327 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.856 1.359 4.018 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.644 2.025 0.354 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -8.855 3.326 1.507 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.197 -0.047 1.867 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -7.867 -0.492 0.802 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.267 0.359 0.151 1.00 1.00 H HETATM 142 N BB9 A 11 -3.816 2.554 2.997 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.866 2.771 3.941 1.00 1.00 C HETATM 144 C BB9 A 11 -1.490 2.319 3.834 1.00 1.00 C HETATM 145 O BB9 A 11 -0.634 2.522 4.696 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.327 3.498 5.082 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.955 3.857 4.870 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.728 3.770 5.939 1.00 1.00 H ATOM 149 N THR A 12 -1.224 1.657 2.708 1.00 1.00 N ATOM 150 CA THR A 12 0.129 1.169 2.425 1.00 1.00 C ATOM 151 C THR A 12 0.741 1.902 1.244 1.00 1.00 C ATOM 152 CB THR A 12 0.172 -0.351 2.180 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.909 -0.772 1.254 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.020 -1.117 3.470 1.00 1.00 C ATOM 155 H THR A 12 -1.942 1.496 2.060 1.00 1.00 H ATOM 156 HA THR A 12 0.731 1.370 3.298 1.00 1.00 H ATOM 157 HB THR A 12 1.137 -0.615 1.767 1.00 1.00 H ATOM 158 HG21 THR A 12 0.918 -1.146 4.003 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.341 -2.123 3.246 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.765 -0.624 4.075 1.00 1.00 H HETATM 161 N BB9 A 13 1.869 1.592 0.711 1.00 1.00 N HETATM 162 CA BB9 A 13 2.180 2.397 -0.318 1.00 1.00 C HETATM 163 C BB9 A 13 3.467 2.168 -1.051 1.00 1.00 C HETATM 164 CB BB9 A 13 1.202 3.406 -0.591 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.059 3.239 0.515 1.00 1.00 S HETATM 166 HB BB9 A 13 1.263 4.149 -1.373 1.00 1.00 H HETATM 167 HC BB9 A 13 3.506 2.850 -1.888 1.00 1.00 H HETATM 168 N MH6 A 14 4.505 2.529 -0.071 1.00 1.00 N HETATM 169 CA MH6 A 14 5.669 1.984 -0.149 1.00 1.00 C HETATM 170 C MH6 A 14 6.643 2.409 0.880 1.00 1.00 C HETATM 171 CB MH6 A 14 6.133 0.994 -1.132 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.349 0.067 -0.624 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.035 1.353 -1.608 1.00 1.00 H HETATM 174 N BB9 A 15 7.843 1.940 0.961 1.00 1.00 N HETATM 175 CA BB9 A 15 8.526 2.493 1.989 1.00 1.00 C HETATM 176 C BB9 A 15 9.895 2.146 2.310 1.00 1.00 C HETATM 177 O BB9 A 15 10.538 2.642 3.234 1.00 1.00 O HETATM 178 CB BB9 A 15 7.778 3.455 2.741 1.00 1.00 C HETATM 179 SG BB9 A 15 6.237 3.582 2.069 1.00 1.00 S HETATM 180 HB BB9 A 15 8.140 4.007 3.596 1.00 1.00 H HETATM 181 N DHA A 16 10.388 1.212 1.492 1.00 1.00 N HETATM 182 CA DHA A 16 11.742 0.629 1.539 1.00 1.00 C HETATM 183 CB DHA A 16 12.715 0.990 2.364 1.00 1.00 C HETATM 184 C DHA A 16 11.938 -0.431 0.562 1.00 1.00 C HETATM 185 O DHA A 16 10.981 -0.703 -0.162 1.00 1.00 O HETATM 186 H DHA A 16 9.782 0.880 0.796 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.554 1.776 3.083 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.674 0.495 2.316 1.00 1.00 H HETATM 189 N DHA A 17 13.121 -1.048 0.487 1.00 1.00 N HETATM 190 CA DHA A 17 13.475 -2.152 -0.425 1.00 1.00 C HETATM 191 CB DHA A 17 12.647 -2.770 -1.255 1.00 1.00 C HETATM 192 C DHA A 17 14.876 -2.533 -0.340 1.00 1.00 C HETATM 193 O DHA A 17 15.585 -1.914 0.453 1.00 1.00 O HETATM 194 H DHA A 17 13.820 -0.728 1.093 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.611 -2.477 -1.309 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.011 -3.569 -1.884 1.00 1.00 H HETATM 197 N NH2 A 18 15.340 -3.513 -1.107 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.285 -3.765 -1.048 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.731 -3.973 -1.723 1.00 1.00 H TER 200 NH2 A 18