HETATM 1 O12 QUA A 0 0.545 -1.173 -0.439 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.595 -1.188 0.029 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.787 -1.654 -0.747 1.00 1.00 C HETATM 4 N1 QUA A 0 -3.008 -1.684 -0.147 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.571 -2.035 -2.066 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.046 -2.116 -0.918 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.651 -2.472 -2.830 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.408 -2.147 -0.230 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.922 -2.513 -2.241 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.047 -0.871 -0.341 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.338 -3.237 -0.837 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.434 -2.897 -4.283 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.218 -2.347 -4.806 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.118 -2.953 -2.975 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.378 -4.415 -4.381 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.214 -3.280 -2.364 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.579 -1.991 -2.492 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.272 -2.369 0.819 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.667 -0.887 -1.073 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.358 -3.019 -0.562 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.256 -2.549 -4.888 1.00 1.00 H HETATM 22 H15 QUA A 0 -1.242 -2.371 -5.765 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.087 -3.000 -4.052 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.330 -4.830 -4.087 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.604 -4.790 -3.727 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.159 -4.701 -5.399 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.065 -3.594 -2.949 1.00 1.00 H ATOM 28 N ILE A 1 -5.996 -4.609 -0.351 1.00 1.00 N ATOM 29 CA ILE A 1 -6.336 -4.832 1.084 1.00 1.00 C ATOM 30 C ILE A 1 -5.084 -5.023 1.919 1.00 1.00 C ATOM 31 O ILE A 1 -5.115 -4.898 3.143 1.00 1.00 O ATOM 32 CB ILE A 1 -7.261 -6.056 1.263 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.667 -7.289 0.567 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.650 -5.746 0.720 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.446 -8.565 0.816 1.00 1.00 C ATOM 36 H ILE A 1 -5.040 -4.770 -0.485 1.00 1.00 H ATOM 37 HA ILE A 1 -6.851 -3.962 1.448 1.00 1.00 H ATOM 38 HB ILE A 1 -7.354 -6.258 2.319 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.648 -7.118 -0.498 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.658 -7.443 0.920 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.015 -4.832 1.165 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.322 -6.556 0.963 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.600 -5.630 -0.352 1.00 1.00 H ATOM 44 HD11 ILE A 1 -6.904 -9.403 0.402 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.414 -8.495 0.344 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.573 -8.707 1.879 1.00 1.00 H ATOM 47 N ALA A 2 -3.978 -5.318 1.247 1.00 1.00 N ATOM 48 CA ALA A 2 -2.728 -5.611 1.929 1.00 1.00 C ATOM 49 C ALA A 2 -1.572 -5.688 0.940 1.00 1.00 C ATOM 50 O ALA A 2 -1.614 -6.463 -0.014 1.00 1.00 O ATOM 51 CB ALA A 2 -2.863 -6.906 2.707 1.00 1.00 C ATOM 52 H ALA A 2 -4.004 -5.339 0.268 1.00 1.00 H ATOM 53 HA ALA A 2 -2.536 -4.813 2.632 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.963 -7.730 2.016 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.742 -6.854 3.333 1.00 1.00 H ATOM 56 HB3 ALA A 2 -1.988 -7.052 3.322 1.00 1.00 H HETATM 57 N DHA A 3 -0.541 -4.881 1.190 1.00 1.00 N HETATM 58 CA DHA A 3 0.620 -4.650 0.317 1.00 1.00 C HETATM 59 CB DHA A 3 0.805 -5.168 -0.889 1.00 1.00 C HETATM 60 C DHA A 3 1.589 -3.747 0.906 1.00 1.00 C HETATM 61 O DHA A 3 1.338 -3.303 2.024 1.00 1.00 O HETATM 62 H DHA A 3 -0.557 -4.400 2.043 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.067 -5.824 -1.319 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.693 -4.920 -1.450 1.00 1.00 H ATOM 65 N ALA A 4 2.686 -3.434 0.233 1.00 1.00 N ATOM 66 CA ALA A 4 3.590 -2.387 0.686 1.00 1.00 C ATOM 67 C ALA A 4 3.972 -1.491 -0.482 1.00 1.00 C ATOM 68 O ALA A 4 4.596 -1.951 -1.437 1.00 1.00 O ATOM 69 CB ALA A 4 4.823 -2.997 1.330 1.00 1.00 C ATOM 70 H ALA A 4 2.896 -3.921 -0.591 1.00 1.00 H ATOM 71 HA ALA A 4 3.076 -1.794 1.429 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.455 -2.209 1.715 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.367 -3.570 0.593 1.00 1.00 H ATOM 74 HB3 ALA A 4 4.519 -3.645 2.140 1.00 1.00 H ATOM 75 N SER A 5 3.583 -0.214 -0.403 1.00 1.00 N ATOM 76 CA SER A 5 3.684 0.706 -1.601 1.00 1.00 C ATOM 77 C SER A 5 2.670 0.352 -2.588 1.00 1.00 C ATOM 78 CB SER A 5 5.123 0.722 -2.194 1.00 1.00 C ATOM 79 H SER A 5 3.209 0.118 0.448 1.00 1.00 H ATOM 80 HB2 SER A 5 5.348 -0.231 -2.644 1.00 1.00 H ATOM 81 HB3 SER A 5 5.195 1.497 -2.944 1.00 1.00 H HETATM 82 N BB9 A 6 1.466 0.822 -2.664 1.00 1.00 N HETATM 83 CA BB9 A 6 0.764 0.287 -3.685 1.00 1.00 C HETATM 84 C BB9 A 6 -0.607 0.654 -3.976 1.00 1.00 C HETATM 85 O BB9 A 6 -1.265 0.219 -4.922 1.00 1.00 O HETATM 86 CB BB9 A 6 1.489 -0.672 -4.454 1.00 1.00 C HETATM 87 SG BB9 A 6 3.036 -0.817 -3.801 1.00 1.00 S HETATM 88 HB BB9 A 6 1.112 -1.214 -5.308 1.00 1.00 H ATOM 89 N THR A 7 -1.103 1.508 -3.084 1.00 1.00 N ATOM 90 CA THR A 7 -2.466 2.020 -3.177 1.00 1.00 C ATOM 91 C THR A 7 -2.497 3.522 -2.922 1.00 1.00 C ATOM 92 O THR A 7 -1.505 4.108 -2.486 1.00 1.00 O ATOM 93 CB THR A 7 -3.405 1.313 -2.175 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.740 1.813 -2.319 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.935 1.519 -0.740 1.00 1.00 C ATOM 96 H THR A 7 -0.535 1.803 -2.342 1.00 1.00 H ATOM 97 HA THR A 7 -2.829 1.825 -4.177 1.00 1.00 H ATOM 98 HB THR A 7 -3.402 0.256 -2.391 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.367 1.104 -2.151 1.00 1.00 H ATOM 100 HG21 THR A 7 -1.883 1.289 -0.669 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.490 0.864 -0.084 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.102 2.545 -0.448 1.00 1.00 H HETATM 103 N DBU A 8 -3.641 4.142 -3.192 1.00 1.00 N HETATM 104 CA DBU A 8 -3.882 5.578 -3.021 1.00 1.00 C HETATM 105 CB DBU A 8 -3.330 6.526 -3.773 1.00 1.00 C HETATM 106 CG DBU A 8 -2.358 6.223 -4.925 1.00 1.00 C HETATM 107 C DBU A 8 -4.815 5.936 -1.925 1.00 1.00 C HETATM 108 H DBU A 8 -4.375 3.592 -3.533 1.00 1.00 H HETATM 109 HB DBU A 8 -3.572 7.557 -3.567 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.854 5.606 -5.661 1.00 1.00 H HETATM 111 HG2 DBU A 8 -1.495 5.701 -4.540 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.044 7.149 -5.383 1.00 1.00 H HETATM 113 N DCY A 9 -5.338 5.049 -1.119 1.00 1.00 N HETATM 114 CA DCY A 9 -6.234 5.672 -0.131 1.00 1.00 C HETATM 115 C DCY A 9 -6.194 5.012 1.234 1.00 1.00 C HETATM 116 O DCY A 9 -6.256 5.732 2.233 1.00 1.00 O HETATM 117 CB DCY A 9 -5.854 7.145 -0.017 1.00 1.00 C HETATM 118 SG DCY A 9 -5.280 7.583 -1.661 1.00 1.00 S HETATM 119 HA DCY A 9 -7.243 5.615 -0.506 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.720 7.735 0.266 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.052 7.279 0.687 1.00 1.00 H HETATM 122 N TS9 A 10 -6.094 3.687 1.298 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.216 2.978 2.570 1.00 1.00 C HETATM 124 C TS9 A 10 -4.911 3.071 3.363 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.643 1.486 2.346 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.590 0.795 1.701 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.955 0.823 3.653 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.903 1.494 1.408 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.834 2.407 2.001 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.588 0.147 1.214 1.00 1.00 C HETATM 131 H TS9 A 10 -5.935 3.176 0.477 1.00 1.00 H HETATM 132 HA TS9 A 10 -6.995 3.474 3.132 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.067 0.326 2.356 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.802 1.312 4.111 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.100 0.894 4.309 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.189 -0.217 3.485 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.621 1.869 0.437 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.058 2.108 2.885 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -7.843 -0.619 1.067 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.233 0.195 0.349 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.176 -0.086 2.090 1.00 1.00 H HETATM 142 N BB9 A 11 -3.773 2.553 3.015 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.809 2.808 3.933 1.00 1.00 C HETATM 144 C BB9 A 11 -1.435 2.356 3.818 1.00 1.00 C HETATM 145 O BB9 A 11 -0.560 2.599 4.650 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.252 3.573 5.055 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.886 3.918 4.859 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.639 3.877 5.890 1.00 1.00 H ATOM 149 N THR A 12 -1.198 1.639 2.720 1.00 1.00 N ATOM 150 CA THR A 12 0.145 1.141 2.425 1.00 1.00 C ATOM 151 C THR A 12 0.750 1.876 1.243 1.00 1.00 C ATOM 152 CB THR A 12 0.168 -0.378 2.173 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.927 -0.783 1.256 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.023 -1.141 3.464 1.00 1.00 C ATOM 155 H THR A 12 -1.933 1.442 2.103 1.00 1.00 H ATOM 156 HA THR A 12 0.757 1.330 3.294 1.00 1.00 H ATOM 157 HB THR A 12 1.125 -0.653 1.751 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.717 -0.612 4.098 1.00 1.00 H ATOM 159 HG22 THR A 12 0.931 -1.229 3.963 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.408 -2.125 3.245 1.00 1.00 H HETATM 161 N BB9 A 13 1.882 1.575 0.713 1.00 1.00 N HETATM 162 CA BB9 A 13 2.185 2.380 -0.317 1.00 1.00 C HETATM 163 C BB9 A 13 3.475 2.161 -1.045 1.00 1.00 C HETATM 164 CB BB9 A 13 1.199 3.379 -0.594 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.062 3.201 0.510 1.00 1.00 S HETATM 166 HB BB9 A 13 1.253 4.120 -1.378 1.00 1.00 H HETATM 167 HC BB9 A 13 3.511 2.846 -1.882 1.00 1.00 H HETATM 168 N MH6 A 14 4.501 2.531 -0.059 1.00 1.00 N HETATM 169 CA MH6 A 14 5.668 1.995 -0.123 1.00 1.00 C HETATM 170 C MH6 A 14 6.624 2.433 0.916 1.00 1.00 C HETATM 171 CB MH6 A 14 6.149 1.003 -1.099 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.364 0.080 -0.585 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.054 1.367 -1.565 1.00 1.00 H HETATM 174 N BB9 A 15 7.843 2.014 0.992 1.00 1.00 N HETATM 175 CA BB9 A 15 8.498 2.573 2.035 1.00 1.00 C HETATM 176 C BB9 A 15 9.881 2.283 2.356 1.00 1.00 C HETATM 177 O BB9 A 15 10.489 2.776 3.304 1.00 1.00 O HETATM 178 CB BB9 A 15 7.708 3.485 2.805 1.00 1.00 C HETATM 179 SG BB9 A 15 6.166 3.561 2.130 1.00 1.00 S HETATM 180 HB BB9 A 15 8.043 4.033 3.674 1.00 1.00 H HETATM 181 N DHA A 16 10.436 1.424 1.496 1.00 1.00 N HETATM 182 CA DHA A 16 11.819 0.913 1.543 1.00 1.00 C HETATM 183 CB DHA A 16 12.694 1.125 2.516 1.00 1.00 C HETATM 184 C DHA A 16 12.170 0.117 0.377 1.00 1.00 C HETATM 185 O DHA A 16 11.298 -0.033 -0.478 1.00 1.00 O HETATM 186 H DHA A 16 9.868 1.114 0.760 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.419 1.719 3.374 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.685 0.705 2.450 1.00 1.00 H HETATM 189 N DHA A 17 13.399 -0.398 0.278 1.00 1.00 N HETATM 190 CA DHA A 17 13.908 -1.245 -0.817 1.00 1.00 C HETATM 191 CB DHA A 17 13.195 -1.716 -1.830 1.00 1.00 C HETATM 192 C DHA A 17 15.327 -1.537 -0.696 1.00 1.00 C HETATM 193 O DHA A 17 15.924 -1.064 0.271 1.00 1.00 O HETATM 194 H DHA A 17 14.024 -0.183 1.000 1.00 1.00 H HETATM 195 HB1 DHA A 17 12.144 -1.490 -1.906 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.668 -2.329 -2.583 1.00 1.00 H HETATM 197 N NH2 A 18 15.925 -2.292 -1.612 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.881 -2.486 -1.525 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.401 -2.644 -2.362 1.00 1.00 H TER 200 NH2 A 18