HETATM 1 O12 QUA A 0 0.584 -1.181 -0.391 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.559 -1.195 0.068 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.747 -1.652 -0.721 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.973 -1.675 -0.133 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.522 -2.031 -2.038 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.008 -2.099 -0.911 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.599 -2.461 -2.813 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.372 -2.118 -0.231 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.877 -2.495 -2.233 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.993 -0.831 -0.337 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.317 -3.188 -0.847 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.373 -2.881 -4.266 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.147 -2.340 -4.775 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.070 -2.929 -2.976 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.330 -4.400 -4.370 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.175 -3.243 -2.373 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.526 -1.994 -2.455 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.245 -2.348 0.818 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.339 -0.715 -1.225 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.336 -2.946 -0.587 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.185 -2.523 -4.876 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.419 -2.919 -4.537 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.029 -2.986 -4.052 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.268 -4.811 -4.032 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.527 -4.780 -3.757 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.163 -4.684 -5.399 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.023 -3.554 -2.965 1.00 1.00 H ATOM 28 N ILE A 1 -6.013 -4.563 -0.348 1.00 1.00 N ATOM 29 CA ILE A 1 -6.379 -4.770 1.084 1.00 1.00 C ATOM 30 C ILE A 1 -5.152 -5.070 1.924 1.00 1.00 C ATOM 31 O ILE A 1 -5.215 -5.078 3.154 1.00 1.00 O ATOM 32 CB ILE A 1 -7.400 -5.916 1.245 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.962 -7.141 0.431 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.785 -5.447 0.817 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.839 -8.359 0.634 1.00 1.00 C ATOM 36 H ILE A 1 -5.058 -4.745 -0.467 1.00 1.00 H ATOM 37 HA ILE A 1 -6.825 -3.865 1.453 1.00 1.00 H ATOM 38 HB ILE A 1 -7.446 -6.183 2.290 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.982 -6.892 -0.618 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.953 -7.409 0.713 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.033 -4.535 1.339 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.514 -6.207 1.057 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.790 -5.265 -0.247 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.408 -9.203 0.115 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.826 -8.163 0.241 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.909 -8.582 1.688 1.00 1.00 H ATOM 47 N ALA A 2 -4.033 -5.304 1.250 1.00 1.00 N ATOM 48 CA ALA A 2 -2.797 -5.670 1.923 1.00 1.00 C ATOM 49 C ALA A 2 -1.640 -5.723 0.933 1.00 1.00 C ATOM 50 O ALA A 2 -1.681 -6.476 -0.039 1.00 1.00 O ATOM 51 CB ALA A 2 -2.971 -7.006 2.623 1.00 1.00 C ATOM 52 H ALA A 2 -4.039 -5.231 0.274 1.00 1.00 H ATOM 53 HA ALA A 2 -2.587 -4.920 2.672 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.829 -6.952 3.278 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.087 -7.230 3.199 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.130 -7.778 1.887 1.00 1.00 H HETATM 57 N DHA A 3 -0.608 -4.921 1.200 1.00 1.00 N HETATM 58 CA DHA A 3 0.545 -4.662 0.323 1.00 1.00 C HETATM 59 CB DHA A 3 0.720 -5.141 -0.900 1.00 1.00 C HETATM 60 C DHA A 3 1.523 -3.774 0.925 1.00 1.00 C HETATM 61 O DHA A 3 1.288 -3.361 2.059 1.00 1.00 O HETATM 62 H DHA A 3 -0.619 -4.468 2.069 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.022 -5.785 -1.344 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.602 -4.874 -1.462 1.00 1.00 H ATOM 65 N ALA A 4 2.607 -3.440 0.240 1.00 1.00 N ATOM 66 CA ALA A 4 3.523 -2.406 0.702 1.00 1.00 C ATOM 67 C ALA A 4 3.925 -1.512 -0.463 1.00 1.00 C ATOM 68 O ALA A 4 4.543 -1.980 -1.417 1.00 1.00 O ATOM 69 CB ALA A 4 4.746 -3.036 1.350 1.00 1.00 C ATOM 70 H ALA A 4 2.801 -3.903 -0.602 1.00 1.00 H ATOM 71 HA ALA A 4 3.012 -1.810 1.445 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.286 -3.613 0.615 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.431 -3.682 2.156 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.386 -2.258 1.741 1.00 1.00 H ATOM 75 N SER A 5 3.557 -0.228 -0.382 1.00 1.00 N ATOM 76 CA SER A 5 3.677 0.691 -1.581 1.00 1.00 C ATOM 77 C SER A 5 2.672 0.348 -2.579 1.00 1.00 C ATOM 78 CB SER A 5 5.121 0.693 -2.164 1.00 1.00 C ATOM 79 H SER A 5 3.189 0.109 0.468 1.00 1.00 H ATOM 80 HB2 SER A 5 5.342 -0.266 -2.603 1.00 1.00 H ATOM 81 HB3 SER A 5 5.202 1.459 -2.922 1.00 1.00 H HETATM 82 N BB9 A 6 1.473 0.827 -2.667 1.00 1.00 N HETATM 83 CA BB9 A 6 0.780 0.303 -3.699 1.00 1.00 C HETATM 84 C BB9 A 6 -0.586 0.679 -4.004 1.00 1.00 C HETATM 85 O BB9 A 6 -1.234 0.251 -4.959 1.00 1.00 O HETATM 86 CB BB9 A 6 1.508 -0.656 -4.465 1.00 1.00 C HETATM 87 SG BB9 A 6 3.045 -0.816 -3.795 1.00 1.00 S HETATM 88 HB BB9 A 6 1.136 -1.191 -5.326 1.00 1.00 H ATOM 89 N THR A 7 -1.087 1.535 -3.116 1.00 1.00 N ATOM 90 CA THR A 7 -2.451 2.041 -3.217 1.00 1.00 C ATOM 91 C THR A 7 -2.494 3.545 -2.963 1.00 1.00 C ATOM 92 O THR A 7 -1.499 4.144 -2.556 1.00 1.00 O ATOM 93 CB THR A 7 -3.393 1.330 -2.222 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.730 1.821 -2.374 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.937 1.534 -0.782 1.00 1.00 C ATOM 96 H THR A 7 -0.522 1.833 -2.372 1.00 1.00 H ATOM 97 HA THR A 7 -2.808 1.845 -4.218 1.00 1.00 H ATOM 98 HB THR A 7 -3.384 0.272 -2.437 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.776 2.726 -2.057 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.119 2.558 -0.487 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.881 1.320 -0.704 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.487 0.870 -0.132 1.00 1.00 H HETATM 103 N DBU A 8 -3.652 4.149 -3.206 1.00 1.00 N HETATM 104 CA DBU A 8 -3.911 5.581 -3.033 1.00 1.00 C HETATM 105 CB DBU A 8 -3.380 6.537 -3.791 1.00 1.00 C HETATM 106 CG DBU A 8 -2.419 6.248 -4.955 1.00 1.00 C HETATM 107 C DBU A 8 -4.835 5.928 -1.926 1.00 1.00 C HETATM 108 H DBU A 8 -4.388 3.588 -3.528 1.00 1.00 H HETATM 109 HB DBU A 8 -3.635 7.564 -3.583 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.125 7.177 -5.419 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.913 5.622 -5.683 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.542 5.739 -4.579 1.00 1.00 H HETATM 113 N DCY A 9 -5.342 5.034 -1.119 1.00 1.00 N HETATM 114 CA DCY A 9 -6.232 5.643 -0.119 1.00 1.00 C HETATM 115 C DCY A 9 -6.177 4.974 1.241 1.00 1.00 C HETATM 116 O DCY A 9 -6.200 5.686 2.245 1.00 1.00 O HETATM 117 CB DCY A 9 -5.860 7.120 0.002 1.00 1.00 C HETATM 118 SG DCY A 9 -5.307 7.571 -1.647 1.00 1.00 S HETATM 119 HA DCY A 9 -7.245 5.585 -0.485 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.727 7.702 0.297 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.051 7.254 0.698 1.00 1.00 H HETATM 122 N TS9 A 10 -6.109 3.645 1.293 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.235 2.927 2.559 1.00 1.00 C HETATM 124 C TS9 A 10 -4.935 3.027 3.361 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.649 1.434 2.324 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.564 0.737 1.741 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -7.030 0.782 3.618 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.859 1.434 1.322 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.809 2.373 1.841 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.550 0.091 1.123 1.00 1.00 C HETATM 131 H TS9 A 10 -5.971 3.138 0.465 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.021 3.414 3.119 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.452 1.023 0.830 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.906 1.268 4.021 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.215 0.871 4.321 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.244 -0.262 3.449 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.521 1.781 0.357 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.045 3.003 1.156 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.213 -0.098 1.954 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -7.809 -0.692 1.072 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.120 0.109 0.206 1.00 1.00 H HETATM 142 N BB9 A 11 -3.792 2.516 3.018 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.834 2.777 3.943 1.00 1.00 C HETATM 144 C BB9 A 11 -1.456 2.336 3.837 1.00 1.00 C HETATM 145 O BB9 A 11 -0.589 2.585 4.676 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.290 3.539 5.062 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.924 3.874 4.856 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.684 3.847 5.900 1.00 1.00 H ATOM 149 N THR A 12 -1.201 1.624 2.740 1.00 1.00 N ATOM 150 CA THR A 12 0.149 1.138 2.457 1.00 1.00 C ATOM 151 C THR A 12 0.755 1.871 1.273 1.00 1.00 C ATOM 152 CB THR A 12 0.188 -0.383 2.215 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.899 -0.800 1.295 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.004 -1.142 3.510 1.00 1.00 C ATOM 155 H THR A 12 -1.928 1.424 2.114 1.00 1.00 H ATOM 156 HA THR A 12 0.753 1.338 3.329 1.00 1.00 H ATOM 157 HB THR A 12 1.149 -0.652 1.800 1.00 1.00 H ATOM 158 HG21 THR A 12 0.945 -1.205 4.022 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.365 -2.136 3.294 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.716 -0.622 4.131 1.00 1.00 H HETATM 161 N BB9 A 13 1.884 1.566 0.737 1.00 1.00 N HETATM 162 CA BB9 A 13 2.186 2.372 -0.293 1.00 1.00 C HETATM 163 C BB9 A 13 3.471 2.152 -1.031 1.00 1.00 C HETATM 164 CB BB9 A 13 1.203 3.377 -0.563 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.054 3.203 0.547 1.00 1.00 S HETATM 166 HB BB9 A 13 1.257 4.119 -1.345 1.00 1.00 H HETATM 167 HC BB9 A 13 3.495 2.827 -1.874 1.00 1.00 H HETATM 168 N MH6 A 14 4.508 2.539 -0.060 1.00 1.00 N HETATM 169 CA MH6 A 14 5.672 1.996 -0.117 1.00 1.00 C HETATM 170 C MH6 A 14 6.643 2.455 0.899 1.00 1.00 C HETATM 171 CB MH6 A 14 6.141 0.977 -1.068 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.335 0.060 -0.535 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.058 1.314 -1.534 1.00 1.00 H HETATM 174 N BB9 A 15 7.858 2.030 0.966 1.00 1.00 N HETATM 175 CA BB9 A 15 8.535 2.609 1.982 1.00 1.00 C HETATM 176 C BB9 A 15 9.920 2.309 2.280 1.00 1.00 C HETATM 177 O BB9 A 15 10.557 2.814 3.204 1.00 1.00 O HETATM 178 CB BB9 A 15 7.766 3.548 2.740 1.00 1.00 C HETATM 179 SG BB9 A 15 6.213 3.621 2.088 1.00 1.00 S HETATM 180 HB BB9 A 15 8.121 4.115 3.588 1.00 1.00 H HETATM 181 N DHA A 16 10.437 1.419 1.431 1.00 1.00 N HETATM 182 CA DHA A 16 11.817 0.900 1.433 1.00 1.00 C HETATM 183 CB DHA A 16 12.777 1.245 2.279 1.00 1.00 C HETATM 184 C DHA A 16 12.053 -0.070 0.376 1.00 1.00 C HETATM 185 O DHA A 16 11.104 -0.329 -0.362 1.00 1.00 O HETATM 186 H DHA A 16 9.833 1.077 0.739 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.583 1.966 3.057 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.757 0.802 2.191 1.00 1.00 H HETATM 189 N DHA A 17 13.261 -0.629 0.251 1.00 1.00 N HETATM 190 CA DHA A 17 13.665 -1.619 -0.764 1.00 1.00 C HETATM 191 CB DHA A 17 12.900 -2.090 -1.740 1.00 1.00 C HETATM 192 C DHA A 17 15.040 -2.065 -0.607 1.00 1.00 C HETATM 193 O DHA A 17 15.689 -1.585 0.321 1.00 1.00 O HETATM 194 H DHA A 17 13.940 -0.353 0.901 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.881 -1.750 -1.844 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.297 -2.817 -2.433 1.00 1.00 H HETATM 197 N NH2 A 18 15.543 -2.958 -1.454 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.470 -3.255 -1.343 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.981 -3.307 -2.176 1.00 1.00 H TER 200 NH2 A 18