HETATM 1 O12 QUA A 0 0.613 -1.168 -0.394 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.534 -1.169 0.055 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.717 -1.631 -0.739 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.954 -1.613 -0.173 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.473 -2.061 -2.036 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.980 -2.047 -0.958 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.543 -2.499 -2.817 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.359 -2.018 -0.306 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.832 -2.492 -2.263 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.952 -0.726 -0.471 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.312 -3.094 -0.903 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.293 -2.976 -4.248 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.072 -2.432 -4.767 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.017 -2.932 -3.013 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.219 -4.496 -4.282 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.140 -3.204 -2.423 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.469 -2.054 -2.436 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.256 -2.212 0.752 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.343 -0.662 -1.346 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.330 -2.822 -0.673 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.106 -2.662 -4.881 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.330 -2.766 -4.259 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.957 -3.028 -4.086 1.00 1.00 H HETATM 24 H141 QUA A 0 -2.041 -4.825 -5.295 1.00 1.00 H HETATM 25 H142 QUA A 0 -3.151 -4.910 -3.926 1.00 1.00 H HETATM 26 H143 QUA A 0 -1.411 -4.830 -3.647 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.982 -3.522 -3.021 1.00 1.00 H ATOM 28 N ILE A 1 -6.047 -4.457 -0.350 1.00 1.00 N ATOM 29 CA ILE A 1 -6.403 -4.593 1.092 1.00 1.00 C ATOM 30 C ILE A 1 -5.172 -4.858 1.937 1.00 1.00 C ATOM 31 O ILE A 1 -5.218 -4.779 3.164 1.00 1.00 O ATOM 32 CB ILE A 1 -7.433 -5.721 1.315 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.983 -7.010 0.615 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.801 -5.281 0.810 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.819 -8.221 0.970 1.00 1.00 C ATOM 36 H ILE A 1 -5.101 -4.677 -0.473 1.00 1.00 H ATOM 37 HA ILE A 1 -6.838 -3.668 1.420 1.00 1.00 H ATOM 38 HB ILE A 1 -7.511 -5.902 2.377 1.00 1.00 H ATOM 39 HG12 ILE A 1 -7.043 -6.870 -0.454 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.959 -7.223 0.887 1.00 1.00 H ATOM 41 HG21 ILE A 1 -8.760 -5.141 -0.261 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.077 -4.351 1.283 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.534 -6.037 1.046 1.00 1.00 H ATOM 44 HD11 ILE A 1 -8.829 -8.081 0.614 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.831 -8.350 2.043 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.395 -9.101 0.507 1.00 1.00 H ATOM 47 N ALA A 2 -4.067 -5.164 1.269 1.00 1.00 N ATOM 48 CA ALA A 2 -2.834 -5.517 1.952 1.00 1.00 C ATOM 49 C ALA A 2 -1.679 -5.621 0.965 1.00 1.00 C ATOM 50 O ALA A 2 -1.740 -6.391 0.007 1.00 1.00 O ATOM 51 CB ALA A 2 -3.025 -6.822 2.702 1.00 1.00 C ATOM 52 H ALA A 2 -4.082 -5.152 0.289 1.00 1.00 H ATOM 53 HA ALA A 2 -2.615 -4.741 2.672 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.173 -7.623 1.995 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.897 -6.741 3.338 1.00 1.00 H ATOM 56 HB3 ALA A 2 -2.155 -7.025 3.306 1.00 1.00 H HETATM 57 N DHA A 3 -0.626 -4.841 1.218 1.00 1.00 N HETATM 58 CA DHA A 3 0.532 -4.622 0.338 1.00 1.00 C HETATM 59 CB DHA A 3 0.697 -5.124 -0.878 1.00 1.00 C HETATM 60 C DHA A 3 1.524 -3.745 0.928 1.00 1.00 C HETATM 61 O DHA A 3 1.294 -3.312 2.055 1.00 1.00 O HETATM 62 H DHA A 3 -0.624 -4.375 2.080 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.057 -5.761 -1.312 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.586 -4.885 -1.443 1.00 1.00 H ATOM 65 N ALA A 4 2.616 -3.440 0.245 1.00 1.00 N ATOM 66 CA ALA A 4 3.540 -2.408 0.697 1.00 1.00 C ATOM 67 C ALA A 4 3.936 -1.521 -0.473 1.00 1.00 C ATOM 68 O ALA A 4 4.545 -1.995 -1.432 1.00 1.00 O ATOM 69 CB ALA A 4 4.763 -3.040 1.339 1.00 1.00 C ATOM 70 H ALA A 4 2.810 -3.920 -0.586 1.00 1.00 H ATOM 71 HA ALA A 4 3.037 -1.806 1.440 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.404 -2.266 1.734 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.303 -3.614 0.600 1.00 1.00 H ATOM 74 HB3 ALA A 4 4.449 -3.692 2.142 1.00 1.00 H ATOM 75 N SER A 5 3.574 -0.235 -0.394 1.00 1.00 N ATOM 76 CA SER A 5 3.691 0.681 -1.595 1.00 1.00 C ATOM 77 C SER A 5 2.671 0.347 -2.581 1.00 1.00 C ATOM 78 CB SER A 5 5.130 0.672 -2.191 1.00 1.00 C ATOM 79 H SER A 5 3.212 0.106 0.458 1.00 1.00 H ATOM 80 HB2 SER A 5 5.340 -0.290 -2.630 1.00 1.00 H ATOM 81 HB3 SER A 5 5.211 1.436 -2.950 1.00 1.00 H HETATM 82 N BB9 A 6 1.470 0.828 -2.648 1.00 1.00 N HETATM 83 CA BB9 A 6 0.760 0.310 -3.671 1.00 1.00 C HETATM 84 C BB9 A 6 -0.611 0.688 -3.955 1.00 1.00 C HETATM 85 O BB9 A 6 -1.279 0.244 -4.889 1.00 1.00 O HETATM 86 CB BB9 A 6 1.474 -0.648 -4.453 1.00 1.00 C HETATM 87 SG BB9 A 6 3.021 -0.813 -3.808 1.00 1.00 S HETATM 88 HB BB9 A 6 1.087 -1.179 -5.311 1.00 1.00 H ATOM 89 N THR A 7 -1.089 1.572 -3.082 1.00 1.00 N ATOM 90 CA THR A 7 -2.465 2.058 -3.153 1.00 1.00 C ATOM 91 C THR A 7 -2.534 3.565 -2.921 1.00 1.00 C ATOM 92 O THR A 7 -1.553 4.188 -2.513 1.00 1.00 O ATOM 93 CB THR A 7 -3.371 1.345 -2.128 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.717 1.819 -2.248 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.880 1.571 -0.702 1.00 1.00 C ATOM 96 H THR A 7 -0.502 1.906 -2.371 1.00 1.00 H ATOM 97 HA THR A 7 -2.841 1.843 -4.143 1.00 1.00 H ATOM 98 HB THR A 7 -3.353 0.285 -2.333 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.776 2.708 -1.890 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.060 2.597 -0.418 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.821 1.363 -0.650 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.410 0.913 -0.031 1.00 1.00 H HETATM 103 N DBU A 8 -3.703 4.143 -3.184 1.00 1.00 N HETATM 104 CA DBU A 8 -4.005 5.568 -3.013 1.00 1.00 C HETATM 105 CB DBU A 8 -3.501 6.541 -3.768 1.00 1.00 C HETATM 106 CG DBU A 8 -2.526 6.283 -4.926 1.00 1.00 C HETATM 107 C DBU A 8 -4.947 5.887 -1.914 1.00 1.00 C HETATM 108 H DBU A 8 -4.418 3.563 -3.520 1.00 1.00 H HETATM 109 HB DBU A 8 -3.790 7.560 -3.560 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.984 5.618 -5.642 1.00 1.00 H HETATM 111 HG2 DBU A 8 -1.622 5.833 -4.544 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.284 7.220 -5.408 1.00 1.00 H HETATM 113 N DCY A 9 -5.438 4.977 -1.115 1.00 1.00 N HETATM 114 CA DCY A 9 -6.354 5.557 -0.122 1.00 1.00 C HETATM 115 C DCY A 9 -6.285 4.889 1.238 1.00 1.00 C HETATM 116 O DCY A 9 -6.359 5.598 2.242 1.00 1.00 O HETATM 117 CB DCY A 9 -6.031 7.045 0.004 1.00 1.00 C HETATM 118 SG DCY A 9 -5.468 7.514 -1.636 1.00 1.00 S HETATM 119 HA DCY A 9 -7.362 5.466 -0.494 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.920 7.598 0.287 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.238 7.204 0.713 1.00 1.00 H HETATM 122 N TS9 A 10 -6.146 3.565 1.289 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.238 2.843 2.555 1.00 1.00 C HETATM 124 C TS9 A 10 -4.937 2.989 3.347 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.595 1.333 2.324 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.491 0.683 1.720 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.927 0.663 3.620 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.818 1.285 1.341 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.798 2.181 1.882 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.455 -0.085 1.150 1.00 1.00 C HETATM 131 H TS9 A 10 -5.977 3.067 0.462 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.037 3.300 3.122 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.067 1.281 1.102 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.081 -0.393 3.452 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.827 1.096 4.030 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -6.113 0.797 4.317 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.512 1.652 0.373 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.403 1.692 2.443 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -7.684 -0.837 1.090 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.032 -0.088 0.236 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.105 -0.300 1.985 1.00 1.00 H HETATM 142 N BB9 A 11 -3.786 2.497 3.007 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.828 2.797 3.917 1.00 1.00 C HETATM 144 C BB9 A 11 -1.442 2.382 3.805 1.00 1.00 C HETATM 145 O BB9 A 11 -0.573 2.659 4.633 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.291 3.569 5.025 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.935 3.864 4.827 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.686 3.907 5.852 1.00 1.00 H ATOM 149 N THR A 12 -1.185 1.661 2.715 1.00 1.00 N ATOM 150 CA THR A 12 0.166 1.172 2.440 1.00 1.00 C ATOM 151 C THR A 12 0.780 1.897 1.255 1.00 1.00 C ATOM 152 CB THR A 12 0.201 -0.349 2.203 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.882 -0.763 1.276 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.005 -1.102 3.497 1.00 1.00 C ATOM 155 H THR A 12 -1.909 1.455 2.088 1.00 1.00 H ATOM 156 HA THR A 12 0.766 1.374 3.314 1.00 1.00 H ATOM 157 HB THR A 12 1.164 -0.623 1.796 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.729 -0.583 4.106 1.00 1.00 H ATOM 159 HG22 THR A 12 0.937 -1.158 4.022 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.358 -2.098 3.281 1.00 1.00 H HETATM 161 N BB9 A 13 1.906 1.581 0.723 1.00 1.00 N HETATM 162 CA BB9 A 13 2.218 2.380 -0.311 1.00 1.00 C HETATM 163 C BB9 A 13 3.504 2.143 -1.043 1.00 1.00 C HETATM 164 CB BB9 A 13 1.244 3.391 -0.588 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.017 3.232 0.521 1.00 1.00 S HETATM 166 HB BB9 A 13 1.304 4.130 -1.373 1.00 1.00 H HETATM 167 HC BB9 A 13 3.543 2.821 -1.883 1.00 1.00 H HETATM 168 N MH6 A 14 4.542 2.508 -0.067 1.00 1.00 N HETATM 169 CA MH6 A 14 5.703 1.957 -0.133 1.00 1.00 C HETATM 170 C MH6 A 14 6.674 2.397 0.891 1.00 1.00 C HETATM 171 CB MH6 A 14 6.165 0.950 -1.102 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.369 0.028 -0.580 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.073 1.295 -1.576 1.00 1.00 H HETATM 174 N BB9 A 15 7.890 1.964 0.961 1.00 1.00 N HETATM 175 CA BB9 A 15 8.560 2.531 1.990 1.00 1.00 C HETATM 176 C BB9 A 15 9.943 2.228 2.302 1.00 1.00 C HETATM 177 O BB9 A 15 10.568 2.731 3.235 1.00 1.00 O HETATM 178 CB BB9 A 15 7.789 3.463 2.753 1.00 1.00 C HETATM 179 SG BB9 A 15 6.242 3.549 2.091 1.00 1.00 S HETATM 180 HB BB9 A 15 8.140 4.020 3.610 1.00 1.00 H HETATM 181 N DHA A 16 10.472 1.333 1.464 1.00 1.00 N HETATM 182 CA DHA A 16 11.847 0.803 1.508 1.00 1.00 C HETATM 183 CB DHA A 16 12.813 1.213 2.319 1.00 1.00 C HETATM 184 C DHA A 16 12.078 -0.263 0.546 1.00 1.00 C HETATM 185 O DHA A 16 11.131 -0.583 -0.171 1.00 1.00 O HETATM 186 H DHA A 16 9.882 0.992 0.760 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.628 2.003 3.029 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.789 0.754 2.271 1.00 1.00 H HETATM 189 N DHA A 17 13.277 -0.847 0.492 1.00 1.00 N HETATM 190 CA DHA A 17 13.678 -1.942 -0.410 1.00 1.00 C HETATM 191 CB DHA A 17 12.969 -2.409 -1.428 1.00 1.00 C HETATM 192 C DHA A 17 14.976 -2.503 -0.079 1.00 1.00 C HETATM 193 O DHA A 17 15.576 -2.019 0.882 1.00 1.00 O HETATM 194 H DHA A 17 13.950 -0.523 1.124 1.00 1.00 H HETATM 195 HB1 DHA A 17 12.006 -1.983 -1.660 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.357 -3.220 -2.026 1.00 1.00 H HETATM 197 N NH2 A 18 15.467 -3.501 -0.805 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.342 -3.878 -0.575 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.947 -3.850 -1.557 1.00 1.00 H TER 200 NH2 A 18