HETATM 1 O12 QUA A 0 0.605 -1.157 -0.423 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.540 -1.180 0.031 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.720 -1.659 -0.758 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.956 -1.657 -0.190 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.474 -2.088 -2.055 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.978 -2.106 -0.971 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.539 -2.542 -2.833 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.357 -2.096 -0.317 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.826 -2.550 -2.276 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.973 -0.815 -0.489 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.290 -3.192 -0.907 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.286 -3.016 -4.262 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.078 -2.452 -4.788 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.008 -3.009 -3.023 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.184 -4.535 -4.298 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.125 -3.299 -2.428 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.471 -2.069 -2.458 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.249 -2.282 0.742 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.947 -0.569 -1.417 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.313 -2.941 -0.673 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.107 -2.719 -4.895 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.550 -3.144 -5.190 1.00 1.00 H HETATM 23 HC5 QUA A 0 -4.950 -3.103 -4.095 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.094 -4.967 -3.909 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.348 -4.853 -3.693 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.036 -4.862 -5.316 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.963 -3.630 -3.023 1.00 1.00 H ATOM 28 N ILE A 1 -5.991 -4.546 -0.354 1.00 1.00 N ATOM 29 CA ILE A 1 -6.373 -4.699 1.082 1.00 1.00 C ATOM 30 C ILE A 1 -5.151 -4.914 1.954 1.00 1.00 C ATOM 31 O ILE A 1 -5.217 -4.790 3.177 1.00 1.00 O ATOM 32 CB ILE A 1 -7.356 -5.872 1.284 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.828 -7.140 0.600 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.731 -5.502 0.745 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.637 -8.383 0.907 1.00 1.00 C ATOM 36 H ILE A 1 -5.036 -4.734 -0.456 1.00 1.00 H ATOM 37 HA ILE A 1 -6.857 -3.794 1.400 1.00 1.00 H ATOM 38 HB ILE A 1 -7.450 -6.054 2.344 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.840 -6.997 -0.469 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.812 -7.319 0.922 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.043 -4.560 1.171 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.442 -6.269 1.013 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.685 -5.412 -0.330 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.727 -8.499 1.977 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.141 -9.247 0.492 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.621 -8.290 0.471 1.00 1.00 H ATOM 47 N ALA A 2 -4.031 -5.230 1.314 1.00 1.00 N ATOM 48 CA ALA A 2 -2.802 -5.533 2.028 1.00 1.00 C ATOM 49 C ALA A 2 -1.633 -5.656 1.060 1.00 1.00 C ATOM 50 O ALA A 2 -1.650 -6.494 0.158 1.00 1.00 O ATOM 51 CB ALA A 2 -2.978 -6.811 2.830 1.00 1.00 C ATOM 52 H ALA A 2 -4.033 -5.261 0.335 1.00 1.00 H ATOM 53 HA ALA A 2 -2.606 -4.726 2.718 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.886 -6.740 3.413 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.135 -6.944 3.489 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.050 -7.650 2.156 1.00 1.00 H HETATM 57 N DHA A 3 -0.617 -4.817 1.264 1.00 1.00 N HETATM 58 CA DHA A 3 0.522 -4.591 0.362 1.00 1.00 C HETATM 59 CB DHA A 3 0.660 -5.086 -0.860 1.00 1.00 C HETATM 60 C DHA A 3 1.531 -3.723 0.937 1.00 1.00 C HETATM 61 O DHA A 3 1.332 -3.302 2.074 1.00 1.00 O HETATM 62 H DHA A 3 -0.625 -4.314 2.105 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.104 -5.719 -1.281 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.538 -4.846 -1.442 1.00 1.00 H ATOM 65 N ALA A 4 2.601 -3.406 0.224 1.00 1.00 N ATOM 66 CA ALA A 4 3.549 -2.397 0.669 1.00 1.00 C ATOM 67 C ALA A 4 3.939 -1.501 -0.498 1.00 1.00 C ATOM 68 O ALA A 4 4.552 -1.968 -1.457 1.00 1.00 O ATOM 69 CB ALA A 4 4.772 -3.059 1.280 1.00 1.00 C ATOM 70 H ALA A 4 2.760 -3.863 -0.627 1.00 1.00 H ATOM 71 HA ALA A 4 3.070 -1.795 1.430 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.286 -3.631 0.523 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.459 -3.717 2.079 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.434 -2.302 1.674 1.00 1.00 H ATOM 75 N SER A 5 3.568 -0.218 -0.413 1.00 1.00 N ATOM 76 CA SER A 5 3.672 0.702 -1.612 1.00 1.00 C ATOM 77 C SER A 5 2.651 0.358 -2.593 1.00 1.00 C ATOM 78 CB SER A 5 5.109 0.706 -2.211 1.00 1.00 C ATOM 79 H SER A 5 3.203 0.117 0.440 1.00 1.00 H ATOM 80 HB2 SER A 5 5.324 -0.249 -2.663 1.00 1.00 H ATOM 81 HB3 SER A 5 5.186 1.482 -2.959 1.00 1.00 H HETATM 82 N BB9 A 6 1.446 0.827 -2.651 1.00 1.00 N HETATM 83 CA BB9 A 6 0.736 0.304 -3.670 1.00 1.00 C HETATM 84 C BB9 A 6 -0.641 0.669 -3.940 1.00 1.00 C HETATM 85 O BB9 A 6 -1.314 0.225 -4.870 1.00 1.00 O HETATM 86 CB BB9 A 6 1.452 -0.646 -4.457 1.00 1.00 C HETATM 87 SG BB9 A 6 3.005 -0.797 -3.823 1.00 1.00 S HETATM 88 HB BB9 A 6 1.065 -1.178 -5.312 1.00 1.00 H ATOM 89 N THR A 7 -1.117 1.542 -3.054 1.00 1.00 N ATOM 90 CA THR A 7 -2.488 2.040 -3.119 1.00 1.00 C ATOM 91 C THR A 7 -2.528 3.551 -2.911 1.00 1.00 C ATOM 92 O THR A 7 -1.526 4.164 -2.545 1.00 1.00 O ATOM 93 CB THR A 7 -3.384 1.360 -2.064 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.716 1.883 -2.140 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.835 1.566 -0.659 1.00 1.00 C ATOM 96 H THR A 7 -0.530 1.859 -2.337 1.00 1.00 H ATOM 97 HA THR A 7 -2.882 1.811 -4.098 1.00 1.00 H ATOM 98 HB THR A 7 -3.412 0.301 -2.270 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.785 2.664 -1.587 1.00 1.00 H ATOM 100 HG21 THR A 7 -1.782 1.327 -0.645 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.359 0.921 0.030 1.00 1.00 H ATOM 102 HG23 THR A 7 -2.975 2.596 -0.363 1.00 1.00 H HETATM 103 N DBU A 8 -3.693 4.148 -3.145 1.00 1.00 N HETATM 104 CA DBU A 8 -3.953 5.583 -2.997 1.00 1.00 C HETATM 105 CB DBU A 8 -3.424 6.527 -3.773 1.00 1.00 C HETATM 106 CG DBU A 8 -2.464 6.219 -4.933 1.00 1.00 C HETATM 107 C DBU A 8 -4.875 5.949 -1.894 1.00 1.00 C HETATM 108 H DBU A 8 -4.435 3.577 -3.439 1.00 1.00 H HETATM 109 HB DBU A 8 -3.680 7.557 -3.582 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.230 7.133 -5.458 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.932 5.523 -5.614 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.555 5.784 -4.543 1.00 1.00 H HETATM 113 N DCY A 9 -5.433 5.063 -1.111 1.00 1.00 N HETATM 114 CA DCY A 9 -6.308 5.697 -0.111 1.00 1.00 C HETATM 115 C DCY A 9 -6.312 4.998 1.234 1.00 1.00 C HETATM 116 O DCY A 9 -6.516 5.675 2.243 1.00 1.00 O HETATM 117 CB DCY A 9 -5.859 7.147 0.048 1.00 1.00 C HETATM 118 SG DCY A 9 -5.275 7.606 -1.587 1.00 1.00 S HETATM 119 HA DCY A 9 -7.315 5.701 -0.495 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.695 7.766 0.355 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.047 7.220 0.750 1.00 1.00 H HETATM 122 N TS9 A 10 -6.098 3.684 1.271 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.227 2.932 2.515 1.00 1.00 C HETATM 124 C TS9 A 10 -4.933 3.023 3.329 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.627 1.442 2.235 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.571 0.802 1.542 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.906 0.715 3.514 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.902 1.466 1.320 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.847 2.322 1.976 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.555 0.113 1.065 1.00 1.00 C HETATM 131 H TS9 A 10 -5.849 3.214 0.448 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.021 3.395 3.083 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.056 0.277 2.159 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.129 -0.319 3.300 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.750 1.171 4.010 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -6.041 0.766 4.158 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.648 1.899 0.365 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -8.660 3.237 1.752 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.201 0.182 0.202 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.139 -0.172 1.928 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.793 -0.629 0.887 1.00 1.00 H HETATM 142 N BB9 A 11 -3.787 2.518 2.989 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.837 2.768 3.923 1.00 1.00 C HETATM 144 C BB9 A 11 -1.458 2.330 3.819 1.00 1.00 C HETATM 145 O BB9 A 11 -0.596 2.567 4.667 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.302 3.515 5.049 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.936 3.851 4.835 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.703 3.814 5.897 1.00 1.00 H ATOM 149 N THR A 12 -1.198 1.634 2.713 1.00 1.00 N ATOM 150 CA THR A 12 0.153 1.152 2.431 1.00 1.00 C ATOM 151 C THR A 12 0.760 1.887 1.250 1.00 1.00 C ATOM 152 CB THR A 12 0.192 -0.369 2.184 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.890 -0.780 1.255 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.010 -1.135 3.473 1.00 1.00 C ATOM 155 H THR A 12 -1.921 1.442 2.082 1.00 1.00 H ATOM 156 HA THR A 12 0.755 1.349 3.305 1.00 1.00 H ATOM 157 HB THR A 12 1.157 -0.636 1.774 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.730 -0.621 4.090 1.00 1.00 H ATOM 159 HG22 THR A 12 0.936 -1.198 3.993 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.365 -2.128 3.248 1.00 1.00 H HETATM 161 N BB9 A 13 1.887 1.578 0.710 1.00 1.00 N HETATM 162 CA BB9 A 13 2.192 2.387 -0.317 1.00 1.00 C HETATM 163 C BB9 A 13 3.475 2.161 -1.057 1.00 1.00 C HETATM 164 CB BB9 A 13 1.213 3.398 -0.581 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.043 3.227 0.531 1.00 1.00 S HETATM 166 HB BB9 A 13 1.270 4.144 -1.361 1.00 1.00 H HETATM 167 HC BB9 A 13 3.504 2.841 -1.897 1.00 1.00 H HETATM 168 N MH6 A 14 4.514 2.532 -0.085 1.00 1.00 N HETATM 169 CA MH6 A 14 5.675 1.983 -0.149 1.00 1.00 C HETATM 170 C MH6 A 14 6.645 2.431 0.872 1.00 1.00 C HETATM 171 CB MH6 A 14 6.139 0.975 -1.117 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.336 0.051 -0.596 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.052 1.318 -1.585 1.00 1.00 H HETATM 174 N BB9 A 15 7.847 1.968 0.974 1.00 1.00 N HETATM 175 CA BB9 A 15 8.520 2.551 1.992 1.00 1.00 C HETATM 176 C BB9 A 15 9.889 2.220 2.335 1.00 1.00 C HETATM 177 O BB9 A 15 10.520 2.746 3.250 1.00 1.00 O HETATM 178 CB BB9 A 15 7.765 3.530 2.714 1.00 1.00 C HETATM 179 SG BB9 A 15 6.230 3.634 2.027 1.00 1.00 S HETATM 180 HB BB9 A 15 8.119 4.104 3.555 1.00 1.00 H HETATM 181 N DHA A 16 10.393 1.264 1.551 1.00 1.00 N HETATM 182 CA DHA A 16 11.756 0.702 1.623 1.00 1.00 C HETATM 183 CB DHA A 16 12.725 1.113 2.429 1.00 1.00 C HETATM 184 C DHA A 16 11.966 -0.396 0.693 1.00 1.00 C HETATM 185 O DHA A 16 11.015 -0.714 -0.020 1.00 1.00 O HETATM 186 H DHA A 16 9.795 0.900 0.866 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.554 1.928 3.113 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.690 0.630 2.402 1.00 1.00 H HETATM 189 N DHA A 17 13.156 -1.002 0.653 1.00 1.00 N HETATM 190 CA DHA A 17 13.542 -2.119 -0.228 1.00 1.00 C HETATM 191 CB DHA A 17 12.767 -2.702 -1.133 1.00 1.00 C HETATM 192 C DHA A 17 14.910 -2.560 -0.015 1.00 1.00 C HETATM 193 O DHA A 17 15.568 -1.973 0.845 1.00 1.00 O HETATM 194 H DHA A 17 13.837 -0.667 1.272 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.754 -2.364 -1.278 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.153 -3.516 -1.726 1.00 1.00 H HETATM 197 N NH2 A 18 15.401 -3.562 -0.738 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.323 -3.854 -0.589 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.833 -3.993 -1.409 1.00 1.00 H TER 200 NH2 A 18