HETATM 1 O12 QUA A 0 0.602 -1.169 -0.391 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.545 -1.190 0.058 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.720 -1.669 -0.736 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.953 -1.704 -0.159 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.476 -2.057 -2.045 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.972 -2.148 -0.946 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.539 -2.508 -2.828 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.346 -2.182 -0.283 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.821 -2.554 -2.264 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.987 -0.907 -0.410 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.264 -3.276 -0.901 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.291 -2.940 -4.273 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.078 -2.370 -4.780 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.000 -3.009 -3.016 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.201 -4.457 -4.356 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.106 -3.336 -2.424 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.477 -2.011 -2.453 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.229 -2.398 0.769 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.984 -0.638 -1.332 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.289 -3.052 -0.652 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.110 -2.614 -4.894 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.783 -2.871 -5.544 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.946 -3.070 -4.092 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.381 -4.803 -3.745 1.00 1.00 H HETATM 25 H142 QUA A 0 -2.035 -4.751 -5.382 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.123 -4.893 -4.001 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.943 -3.662 -3.024 1.00 1.00 H ATOM 28 N ILE A 1 -5.937 -4.642 -0.390 1.00 1.00 N ATOM 29 CA ILE A 1 -6.318 -4.844 1.039 1.00 1.00 C ATOM 30 C ILE A 1 -5.092 -5.041 1.910 1.00 1.00 C ATOM 31 O ILE A 1 -5.157 -4.910 3.132 1.00 1.00 O ATOM 32 CB ILE A 1 -7.262 -6.053 1.206 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.683 -7.290 0.506 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.641 -5.719 0.655 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.419 -8.573 0.832 1.00 1.00 C ATOM 36 H ILE A 1 -4.977 -4.804 -0.496 1.00 1.00 H ATOM 37 HA ILE A 1 -6.832 -3.966 1.378 1.00 1.00 H ATOM 38 HB ILE A 1 -7.363 -6.259 2.261 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.731 -7.145 -0.562 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.652 -7.416 0.801 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.324 -6.527 0.876 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.578 -5.583 -0.414 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.000 -4.810 1.114 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.452 -8.706 1.904 1.00 1.00 H ATOM 45 HD12 ILE A 1 -6.904 -9.407 0.381 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.426 -8.521 0.445 1.00 1.00 H ATOM 47 N ALA A 2 -3.970 -5.348 1.271 1.00 1.00 N ATOM 48 CA ALA A 2 -2.741 -5.644 1.986 1.00 1.00 C ATOM 49 C ALA A 2 -1.566 -5.745 1.022 1.00 1.00 C ATOM 50 O ALA A 2 -1.560 -6.587 0.124 1.00 1.00 O ATOM 51 CB ALA A 2 -2.905 -6.927 2.782 1.00 1.00 C ATOM 52 H ALA A 2 -3.971 -5.375 0.292 1.00 1.00 H ATOM 53 HA ALA A 2 -2.556 -4.836 2.681 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.790 -6.849 3.398 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.039 -7.078 3.407 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.013 -7.758 2.103 1.00 1.00 H HETATM 57 N DHA A 3 -0.571 -4.885 1.232 1.00 1.00 N HETATM 58 CA DHA A 3 0.577 -4.645 0.346 1.00 1.00 C HETATM 59 CB DHA A 3 0.745 -5.147 -0.869 1.00 1.00 C HETATM 60 C DHA A 3 1.554 -3.749 0.931 1.00 1.00 C HETATM 61 O DHA A 3 1.320 -3.318 2.059 1.00 1.00 O HETATM 62 H DHA A 3 -0.604 -4.372 2.066 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.000 -5.799 -1.297 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.625 -4.893 -1.440 1.00 1.00 H ATOM 65 N ALA A 4 2.634 -3.422 0.240 1.00 1.00 N ATOM 66 CA ALA A 4 3.545 -2.380 0.689 1.00 1.00 C ATOM 67 C ALA A 4 3.935 -1.494 -0.482 1.00 1.00 C ATOM 68 O ALA A 4 4.567 -1.960 -1.430 1.00 1.00 O ATOM 69 CB ALA A 4 4.772 -2.996 1.339 1.00 1.00 C ATOM 70 H ALA A 4 2.825 -3.893 -0.598 1.00 1.00 H ATOM 71 HA ALA A 4 3.033 -1.781 1.428 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.324 -3.564 0.604 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.462 -3.651 2.141 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.401 -2.214 1.737 1.00 1.00 H ATOM 75 N SER A 5 3.541 -0.217 -0.415 1.00 1.00 N ATOM 76 CA SER A 5 3.648 0.697 -1.619 1.00 1.00 C ATOM 77 C SER A 5 2.630 0.349 -2.600 1.00 1.00 C ATOM 78 CB SER A 5 5.086 0.701 -2.219 1.00 1.00 C ATOM 79 H SER A 5 3.157 0.118 0.429 1.00 1.00 H ATOM 80 HB2 SER A 5 5.302 -0.256 -2.665 1.00 1.00 H ATOM 81 HB3 SER A 5 5.160 1.473 -2.971 1.00 1.00 H HETATM 82 N BB9 A 6 1.428 0.821 -2.662 1.00 1.00 N HETATM 83 CA BB9 A 6 0.717 0.297 -3.679 1.00 1.00 C HETATM 84 C BB9 A 6 -0.657 0.670 -3.949 1.00 1.00 C HETATM 85 O BB9 A 6 -1.330 0.245 -4.889 1.00 1.00 O HETATM 86 CB BB9 A 6 1.432 -0.657 -4.463 1.00 1.00 C HETATM 87 SG BB9 A 6 2.984 -0.810 -3.825 1.00 1.00 S HETATM 88 HB BB9 A 6 1.045 -1.192 -5.317 1.00 1.00 H ATOM 89 N THR A 7 -1.133 1.520 -3.042 1.00 1.00 N ATOM 90 CA THR A 7 -2.493 2.038 -3.105 1.00 1.00 C ATOM 91 C THR A 7 -2.510 3.544 -2.855 1.00 1.00 C ATOM 92 O THR A 7 -1.510 4.120 -2.427 1.00 1.00 O ATOM 93 CB THR A 7 -3.410 1.340 -2.079 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.742 1.859 -2.177 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.891 1.528 -0.658 1.00 1.00 C ATOM 96 H THR A 7 -0.549 1.805 -2.307 1.00 1.00 H ATOM 97 HA THR A 7 -2.882 1.843 -4.095 1.00 1.00 H ATOM 98 HB THR A 7 -3.429 0.284 -2.301 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.960 2.007 -3.100 1.00 1.00 H ATOM 100 HG21 THR A 7 -2.997 2.562 -0.367 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.851 1.247 -0.615 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.460 0.905 0.018 1.00 1.00 H HETATM 103 N DBU A 8 -3.647 4.175 -3.123 1.00 1.00 N HETATM 104 CA DBU A 8 -3.871 5.615 -2.959 1.00 1.00 C HETATM 105 CB DBU A 8 -3.286 6.556 -3.696 1.00 1.00 C HETATM 106 CG DBU A 8 -2.292 6.238 -4.824 1.00 1.00 C HETATM 107 C DBU A 8 -4.824 5.990 -1.885 1.00 1.00 C HETATM 108 H DBU A 8 -4.391 3.632 -3.457 1.00 1.00 H HETATM 109 HB DBU A 8 -3.518 7.589 -3.497 1.00 1.00 H HETATM 110 HG1 DBU A 8 -1.427 5.739 -4.411 1.00 1.00 H HETATM 111 HG2 DBU A 8 -1.984 7.155 -5.302 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.765 5.594 -5.551 1.00 1.00 H HETATM 113 N DCY A 9 -5.403 5.109 -1.112 1.00 1.00 N HETATM 114 CA DCY A 9 -6.306 5.746 -0.142 1.00 1.00 C HETATM 115 C DCY A 9 -6.338 5.057 1.207 1.00 1.00 C HETATM 116 O DCY A 9 -6.592 5.736 2.202 1.00 1.00 O HETATM 117 CB DCY A 9 -5.873 7.201 0.016 1.00 1.00 C HETATM 118 SG DCY A 9 -5.233 7.648 -1.603 1.00 1.00 S HETATM 119 HA DCY A 9 -7.304 5.738 -0.551 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.724 7.819 0.286 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.088 7.289 0.746 1.00 1.00 H HETATM 122 N TS9 A 10 -6.093 3.750 1.260 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.230 3.005 2.508 1.00 1.00 C HETATM 124 C TS9 A 10 -4.935 3.090 3.320 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.642 1.517 2.233 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.607 0.872 1.514 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.895 0.788 3.517 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.940 1.549 1.348 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.879 2.375 2.049 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.583 0.197 1.070 1.00 1.00 C HETATM 131 H TS9 A 10 -5.815 3.279 0.447 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.020 3.478 3.073 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.370 0.055 1.958 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.710 1.259 4.045 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.006 0.815 4.130 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.151 -0.240 3.305 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.712 2.013 0.401 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.250 1.883 2.785 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.174 -0.103 1.923 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -7.815 -0.538 0.891 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.220 0.272 0.201 1.00 1.00 H HETATM 142 N BB9 A 11 -3.794 2.570 2.985 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.841 2.819 3.917 1.00 1.00 C HETATM 144 C BB9 A 11 -1.467 2.365 3.818 1.00 1.00 C HETATM 145 O BB9 A 11 -0.603 2.601 4.664 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.299 3.581 5.036 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.928 3.932 4.819 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.696 3.881 5.880 1.00 1.00 H ATOM 149 N THR A 12 -1.212 1.656 2.719 1.00 1.00 N ATOM 150 CA THR A 12 0.136 1.168 2.434 1.00 1.00 C ATOM 151 C THR A 12 0.736 1.893 1.241 1.00 1.00 C ATOM 152 CB THR A 12 0.178 -0.355 2.204 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.900 -0.781 1.276 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.025 -1.107 3.501 1.00 1.00 C ATOM 155 H THR A 12 -1.940 1.456 2.094 1.00 1.00 H ATOM 156 HA THR A 12 0.744 1.377 3.302 1.00 1.00 H ATOM 157 HB THR A 12 1.144 -0.626 1.800 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.357 -2.110 3.285 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.766 -0.599 4.101 1.00 1.00 H ATOM 160 HG23 THR A 12 0.913 -1.144 4.035 1.00 1.00 H HETATM 161 N BB9 A 13 1.866 1.587 0.707 1.00 1.00 N HETATM 162 CA BB9 A 13 2.164 2.383 -0.333 1.00 1.00 C HETATM 163 C BB9 A 13 3.450 2.157 -1.069 1.00 1.00 C HETATM 164 CB BB9 A 13 1.176 3.379 -0.613 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.079 3.213 0.501 1.00 1.00 S HETATM 166 HB BB9 A 13 1.225 4.115 -1.403 1.00 1.00 H HETATM 167 HC BB9 A 13 3.482 2.837 -1.909 1.00 1.00 H HETATM 168 N MH6 A 14 4.486 2.528 -0.092 1.00 1.00 N HETATM 169 CA MH6 A 14 5.648 1.981 -0.158 1.00 1.00 C HETATM 170 C MH6 A 14 6.617 2.422 0.868 1.00 1.00 C HETATM 171 CB MH6 A 14 6.116 0.977 -1.128 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.322 0.056 -0.608 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.025 1.327 -1.598 1.00 1.00 H HETATM 174 N BB9 A 15 7.820 1.965 0.958 1.00 1.00 N HETATM 175 CA BB9 A 15 8.494 2.534 1.982 1.00 1.00 C HETATM 176 C BB9 A 15 9.865 2.203 2.309 1.00 1.00 C HETATM 177 O BB9 A 15 10.500 2.705 3.236 1.00 1.00 O HETATM 178 CB BB9 A 15 7.737 3.498 2.722 1.00 1.00 C HETATM 179 SG BB9 A 15 6.198 3.605 2.043 1.00 1.00 S HETATM 180 HB BB9 A 15 8.093 4.061 3.571 1.00 1.00 H HETATM 181 N DHA A 16 10.373 1.287 1.482 1.00 1.00 N HETATM 182 CA DHA A 16 11.729 0.710 1.536 1.00 1.00 C HETATM 183 CB DHA A 16 12.646 0.967 2.457 1.00 1.00 C HETATM 184 C DHA A 16 11.994 -0.212 0.443 1.00 1.00 C HETATM 185 O DHA A 16 11.084 -0.393 -0.365 1.00 1.00 O HETATM 186 H DHA A 16 9.783 0.973 0.765 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.433 1.653 3.261 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.613 0.487 2.403 1.00 1.00 H HETATM 189 N DHA A 17 13.188 -0.802 0.356 1.00 1.00 N HETATM 190 CA DHA A 17 13.608 -1.779 -0.666 1.00 1.00 C HETATM 191 CB DHA A 17 12.824 -2.335 -1.578 1.00 1.00 C HETATM 192 C DHA A 17 15.023 -2.102 -0.592 1.00 1.00 C HETATM 193 O DHA A 17 15.688 -1.544 0.281 1.00 1.00 O HETATM 194 H DHA A 17 13.852 -0.549 1.032 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.776 -2.084 -1.620 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.236 -3.041 -2.284 1.00 1.00 H HETATM 197 N NH2 A 18 15.547 -2.970 -1.451 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.502 -3.183 -1.397 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.972 -3.386 -2.127 1.00 1.00 H TER 200 NH2 A 18