HETATM 1 O12 QUA A 0 0.562 -1.136 -0.416 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.574 -1.170 0.058 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.764 -1.650 -0.714 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.981 -1.712 -0.105 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.550 -2.012 -2.037 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.015 -2.155 -0.872 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.627 -2.461 -2.798 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.370 -2.221 -0.173 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.894 -2.534 -2.201 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.031 -0.954 -0.257 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.289 -3.315 -0.785 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.413 -2.866 -4.256 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.208 -2.292 -4.779 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.086 -2.992 -2.929 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.333 -4.382 -4.370 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.173 -3.345 -2.314 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.563 -1.943 -2.470 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.220 -2.457 0.871 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.976 -0.623 -1.156 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.309 -3.110 -0.506 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.244 -2.524 -4.852 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.952 -2.759 -5.578 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.061 -3.031 -4.007 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.265 -4.818 -4.040 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.526 -4.748 -3.752 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.152 -4.657 -5.398 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.021 -3.671 -2.897 1.00 1.00 H ATOM 28 N ILE A 1 -5.931 -4.684 -0.309 1.00 1.00 N ATOM 29 CA ILE A 1 -6.291 -4.924 1.119 1.00 1.00 C ATOM 30 C ILE A 1 -5.054 -5.172 1.962 1.00 1.00 C ATOM 31 O ILE A 1 -5.113 -5.153 3.191 1.00 1.00 O ATOM 32 CB ILE A 1 -7.257 -6.120 1.262 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.715 -7.345 0.513 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.639 -5.740 0.748 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.547 -8.596 0.703 1.00 1.00 C ATOM 36 H ILE A 1 -4.969 -4.826 -0.427 1.00 1.00 H ATOM 37 HA ILE A 1 -6.782 -4.046 1.495 1.00 1.00 H ATOM 38 HB ILE A 1 -7.346 -6.360 2.312 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.685 -7.126 -0.544 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.713 -7.556 0.858 1.00 1.00 H ATOM 41 HG21 ILE A 1 -8.602 -5.612 -0.324 1.00 1.00 H ATOM 42 HG22 ILE A 1 -8.952 -4.815 1.209 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.344 -6.520 0.994 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.020 -9.444 0.291 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.493 -8.480 0.195 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.721 -8.756 1.756 1.00 1.00 H ATOM 47 N ALA A 2 -3.932 -5.395 1.288 1.00 1.00 N ATOM 48 CA ALA A 2 -2.686 -5.729 1.962 1.00 1.00 C ATOM 49 C ALA A 2 -1.533 -5.777 0.968 1.00 1.00 C ATOM 50 O ALA A 2 -1.541 -6.581 0.036 1.00 1.00 O ATOM 51 CB ALA A 2 -2.834 -7.058 2.684 1.00 1.00 C ATOM 52 H ALA A 2 -3.941 -5.333 0.311 1.00 1.00 H ATOM 53 HA ALA A 2 -2.487 -4.964 2.698 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.945 -7.848 1.957 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.711 -7.024 3.313 1.00 1.00 H ATOM 56 HB3 ALA A 2 -1.959 -7.240 3.289 1.00 1.00 H HETATM 57 N DHA A 3 -0.540 -4.914 1.186 1.00 1.00 N HETATM 58 CA DHA A 3 0.593 -4.641 0.288 1.00 1.00 C HETATM 59 CB DHA A 3 0.749 -5.114 -0.941 1.00 1.00 C HETATM 60 C DHA A 3 1.573 -3.750 0.876 1.00 1.00 C HETATM 61 O DHA A 3 1.356 -3.343 2.016 1.00 1.00 O HETATM 62 H DHA A 3 -0.563 -4.426 2.035 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.005 -5.763 -1.373 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.619 -4.838 -1.517 1.00 1.00 H ATOM 65 N ALA A 4 2.645 -3.406 0.174 1.00 1.00 N ATOM 66 CA ALA A 4 3.577 -2.391 0.640 1.00 1.00 C ATOM 67 C ALA A 4 3.964 -1.478 -0.512 1.00 1.00 C ATOM 68 O ALA A 4 4.587 -1.924 -1.475 1.00 1.00 O ATOM 69 CB ALA A 4 4.807 -3.045 1.249 1.00 1.00 C ATOM 70 H ALA A 4 2.815 -3.850 -0.682 1.00 1.00 H ATOM 71 HA ALA A 4 3.087 -1.806 1.405 1.00 1.00 H ATOM 72 HB1 ALA A 4 4.501 -3.707 2.047 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.463 -2.284 1.644 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.327 -3.612 0.491 1.00 1.00 H ATOM 75 N SER A 5 3.579 -0.201 -0.413 1.00 1.00 N ATOM 76 CA SER A 5 3.685 0.738 -1.598 1.00 1.00 C ATOM 77 C SER A 5 2.673 0.402 -2.591 1.00 1.00 C ATOM 78 CB SER A 5 5.124 0.758 -2.191 1.00 1.00 C ATOM 79 H SER A 5 3.206 0.119 0.442 1.00 1.00 H ATOM 80 HB2 SER A 5 5.343 -0.188 -2.660 1.00 1.00 H ATOM 81 HB3 SER A 5 5.198 1.547 -2.927 1.00 1.00 H HETATM 82 N BB9 A 6 1.471 0.878 -2.668 1.00 1.00 N HETATM 83 CA BB9 A 6 0.775 0.356 -3.699 1.00 1.00 C HETATM 84 C BB9 A 6 -0.594 0.725 -3.998 1.00 1.00 C HETATM 85 O BB9 A 6 -1.242 0.295 -4.953 1.00 1.00 O HETATM 86 CB BB9 A 6 1.500 -0.597 -4.473 1.00 1.00 C HETATM 87 SG BB9 A 6 3.041 -0.755 -3.814 1.00 1.00 S HETATM 88 HB BB9 A 6 1.124 -1.129 -5.335 1.00 1.00 H ATOM 89 N THR A 7 -1.099 1.576 -3.109 1.00 1.00 N ATOM 90 CA THR A 7 -2.475 2.053 -3.196 1.00 1.00 C ATOM 91 C THR A 7 -2.546 3.562 -2.993 1.00 1.00 C ATOM 92 O THR A 7 -1.559 4.196 -2.613 1.00 1.00 O ATOM 93 CB THR A 7 -3.380 1.358 -2.158 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.720 1.857 -2.263 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.863 1.577 -0.743 1.00 1.00 C ATOM 96 H THR A 7 -0.532 1.892 -2.375 1.00 1.00 H ATOM 97 HA THR A 7 -2.848 1.815 -4.182 1.00 1.00 H ATOM 98 HB THR A 7 -3.385 0.297 -2.362 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.287 1.384 -1.650 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.002 2.612 -0.463 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.811 1.333 -0.702 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.406 0.943 -0.058 1.00 1.00 H HETATM 103 N DBU A 8 -3.718 4.134 -3.246 1.00 1.00 N HETATM 104 CA DBU A 8 -4.006 5.566 -3.126 1.00 1.00 C HETATM 105 CB DBU A 8 -3.518 6.499 -3.938 1.00 1.00 C HETATM 106 CG DBU A 8 -2.582 6.181 -5.114 1.00 1.00 C HETATM 107 C DBU A 8 -4.909 5.939 -2.010 1.00 1.00 C HETATM 108 H DBU A 8 -4.446 3.544 -3.536 1.00 1.00 H HETATM 109 HB DBU A 8 -3.791 7.529 -3.768 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.354 7.090 -5.650 1.00 1.00 H HETATM 111 HG2 DBU A 8 -3.065 5.483 -5.781 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.667 5.745 -4.739 1.00 1.00 H HETATM 113 N DCY A 9 -5.402 5.065 -1.171 1.00 1.00 N HETATM 114 CA DCY A 9 -6.274 5.704 -0.173 1.00 1.00 C HETATM 115 C DCY A 9 -6.216 5.061 1.199 1.00 1.00 C HETATM 116 O DCY A 9 -6.307 5.789 2.189 1.00 1.00 O HETATM 117 CB DCY A 9 -5.883 7.177 -0.088 1.00 1.00 C HETATM 118 SG DCY A 9 -5.376 7.589 -1.761 1.00 1.00 S HETATM 119 HA DCY A 9 -7.291 5.651 -0.528 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.734 7.773 0.222 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.052 7.315 0.581 1.00 1.00 H HETATM 122 N TS9 A 10 -6.071 3.739 1.280 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.220 3.038 2.553 1.00 1.00 C HETATM 124 C TS9 A 10 -4.919 3.100 3.360 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.690 1.558 2.329 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.678 0.852 1.636 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.971 0.886 3.638 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.984 1.611 1.440 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.893 2.496 2.109 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.679 0.274 1.207 1.00 1.00 C HETATM 131 H TS9 A 10 -5.860 3.227 0.470 1.00 1.00 H HETATM 132 HA TS9 A 10 -6.990 3.556 3.107 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -4.915 0.742 2.209 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.749 1.424 4.160 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.075 0.877 4.240 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.293 -0.129 3.461 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.738 2.032 0.477 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.673 2.626 1.565 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.426 0.386 0.435 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.154 -0.049 2.121 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.953 -0.461 0.900 1.00 1.00 H HETATM 142 N BB9 A 11 -3.781 2.579 3.013 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.824 2.807 3.948 1.00 1.00 C HETATM 144 C BB9 A 11 -1.450 2.349 3.843 1.00 1.00 C HETATM 145 O BB9 A 11 -0.586 2.573 4.691 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.275 3.554 5.080 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.902 3.917 4.873 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.669 3.837 5.927 1.00 1.00 H ATOM 149 N THR A 12 -1.199 1.650 2.737 1.00 1.00 N ATOM 150 CA THR A 12 0.150 1.159 2.450 1.00 1.00 C ATOM 151 C THR A 12 0.755 1.893 1.268 1.00 1.00 C ATOM 152 CB THR A 12 0.187 -0.361 2.201 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.906 -0.777 1.287 1.00 1.00 O ATOM 154 CG2 THR A 12 0.006 -1.129 3.490 1.00 1.00 C ATOM 155 H THR A 12 -1.926 1.462 2.108 1.00 1.00 H ATOM 156 HA THR A 12 0.757 1.355 3.320 1.00 1.00 H ATOM 157 HB THR A 12 1.146 -0.628 1.776 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.343 -2.125 3.268 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.713 -0.621 4.116 1.00 1.00 H ATOM 160 HG23 THR A 12 0.956 -1.187 3.999 1.00 1.00 H HETATM 161 N BB9 A 13 1.890 1.595 0.742 1.00 1.00 N HETATM 162 CA BB9 A 13 2.192 2.399 -0.291 1.00 1.00 C HETATM 163 C BB9 A 13 3.483 2.185 -1.017 1.00 1.00 C HETATM 164 CB BB9 A 13 1.200 3.393 -0.573 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.062 3.213 0.531 1.00 1.00 S HETATM 166 HB BB9 A 13 1.252 4.132 -1.358 1.00 1.00 H HETATM 167 HC BB9 A 13 3.529 2.884 -1.840 1.00 1.00 H HETATM 168 N MH6 A 14 4.511 2.527 -0.019 1.00 1.00 N HETATM 169 CA MH6 A 14 5.677 1.985 -0.095 1.00 1.00 C HETATM 170 C MH6 A 14 6.641 2.387 0.953 1.00 1.00 C HETATM 171 CB MH6 A 14 6.151 1.013 -1.094 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.363 0.077 -0.600 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.057 1.380 -1.553 1.00 1.00 H HETATM 174 N BB9 A 15 7.855 1.954 1.008 1.00 1.00 N HETATM 175 CA BB9 A 15 8.525 2.474 2.061 1.00 1.00 C HETATM 176 C BB9 A 15 9.907 2.154 2.353 1.00 1.00 C HETATM 177 O BB9 A 15 10.539 2.609 3.306 1.00 1.00 O HETATM 178 CB BB9 A 15 7.752 3.372 2.864 1.00 1.00 C HETATM 179 SG BB9 A 15 6.204 3.484 2.203 1.00 1.00 S HETATM 180 HB BB9 A 15 8.101 3.889 3.745 1.00 1.00 H HETATM 181 N DHA A 16 10.427 1.303 1.464 1.00 1.00 N HETATM 182 CA DHA A 16 11.808 0.788 1.442 1.00 1.00 C HETATM 183 CB DHA A 16 12.758 1.066 2.325 1.00 1.00 C HETATM 184 C DHA A 16 12.063 -0.094 0.313 1.00 1.00 C HETATM 185 O DHA A 16 11.126 -0.296 -0.458 1.00 1.00 O HETATM 186 H DHA A 16 9.824 0.995 0.755 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.552 1.724 3.154 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.741 0.634 2.213 1.00 1.00 H HETATM 189 N DHA A 17 13.274 -0.640 0.162 1.00 1.00 N HETATM 190 CA DHA A 17 13.700 -1.536 -0.930 1.00 1.00 C HETATM 191 CB DHA A 17 12.959 -1.905 -1.967 1.00 1.00 C HETATM 192 C DHA A 17 15.066 -2.011 -0.776 1.00 1.00 C HETATM 193 O DHA A 17 15.691 -1.625 0.212 1.00 1.00 O HETATM 194 H DHA A 17 13.940 -0.424 0.847 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.947 -1.545 -2.068 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.369 -2.569 -2.713 1.00 1.00 H HETATM 197 N NH2 A 18 15.586 -2.829 -1.684 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.507 -3.146 -1.572 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.044 -3.106 -2.451 1.00 1.00 H TER 200 NH2 A 18