HETATM 1 O12 QUA A 0 0.586 -1.178 -0.398 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.558 -1.189 0.058 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.744 -1.654 -0.729 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.973 -1.668 -0.147 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.512 -2.051 -2.040 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.003 -2.100 -0.927 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.585 -2.488 -2.815 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.373 -2.112 -0.257 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.865 -2.513 -2.243 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.999 -0.833 -0.395 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.306 -3.200 -0.861 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.351 -2.929 -4.260 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.129 -2.386 -4.774 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.055 -2.954 -2.987 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.296 -4.448 -4.341 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.162 -3.265 -2.386 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.514 -2.020 -2.453 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.252 -2.322 0.796 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.040 -0.594 -1.323 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.327 -2.965 -0.604 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.166 -2.587 -4.879 1.00 1.00 H HETATM 22 H15 QUA A 0 -1.152 -2.397 -5.734 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.010 -3.017 -4.063 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.220 -4.863 -3.965 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.471 -4.810 -3.745 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.158 -4.749 -5.368 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.008 -3.581 -2.979 1.00 1.00 H ATOM 28 N ILE A 1 -5.988 -4.567 -0.348 1.00 1.00 N ATOM 29 CA ILE A 1 -6.334 -4.757 1.091 1.00 1.00 C ATOM 30 C ILE A 1 -5.092 -5.000 1.926 1.00 1.00 C ATOM 31 O ILE A 1 -5.137 -4.943 3.155 1.00 1.00 O ATOM 32 CB ILE A 1 -7.316 -5.930 1.286 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.849 -7.159 0.496 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.719 -5.517 0.861 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.610 -8.424 0.827 1.00 1.00 C ATOM 36 H ILE A 1 -5.035 -4.747 -0.479 1.00 1.00 H ATOM 37 HA ILE A 1 -6.806 -3.859 1.446 1.00 1.00 H ATOM 38 HB ILE A 1 -7.345 -6.177 2.338 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.973 -6.967 -0.559 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.803 -7.336 0.703 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.015 -4.634 1.410 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.411 -6.319 1.070 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.725 -5.302 -0.196 1.00 1.00 H ATOM 44 HD11 ILE A 1 -8.643 -8.312 0.534 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.558 -8.609 1.891 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.174 -9.257 0.296 1.00 1.00 H ATOM 47 N ALA A 2 -3.980 -5.263 1.249 1.00 1.00 N ATOM 48 CA ALA A 2 -2.739 -5.604 1.926 1.00 1.00 C ATOM 49 C ALA A 2 -1.581 -5.678 0.937 1.00 1.00 C ATOM 50 O ALA A 2 -1.639 -6.425 -0.039 1.00 1.00 O ATOM 51 CB ALA A 2 -2.905 -6.920 2.665 1.00 1.00 C ATOM 52 H ALA A 2 -3.996 -5.226 0.270 1.00 1.00 H ATOM 53 HA ALA A 2 -2.531 -4.832 2.653 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.782 -6.864 3.294 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.034 -7.105 3.274 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.026 -7.719 1.950 1.00 1.00 H HETATM 57 N DHA A 3 -0.533 -4.899 1.208 1.00 1.00 N HETATM 58 CA DHA A 3 0.636 -4.671 0.345 1.00 1.00 C HETATM 59 CB DHA A 3 0.839 -5.197 -0.856 1.00 1.00 C HETATM 60 C DHA A 3 1.592 -3.755 0.936 1.00 1.00 C HETATM 61 O DHA A 3 1.326 -3.303 2.048 1.00 1.00 O HETATM 62 H DHA A 3 -0.545 -4.436 2.072 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.111 -5.863 -1.290 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.732 -4.947 -1.409 1.00 1.00 H ATOM 65 N ALA A 4 2.692 -3.437 0.270 1.00 1.00 N ATOM 66 CA ALA A 4 3.579 -2.372 0.716 1.00 1.00 C ATOM 67 C ALA A 4 3.956 -1.486 -0.461 1.00 1.00 C ATOM 68 O ALA A 4 4.586 -1.951 -1.411 1.00 1.00 O ATOM 69 CB ALA A 4 4.817 -2.959 1.374 1.00 1.00 C ATOM 70 H ALA A 4 2.916 -3.932 -0.546 1.00 1.00 H ATOM 71 HA ALA A 4 3.052 -1.779 1.450 1.00 1.00 H ATOM 72 HB1 ALA A 4 4.518 -3.616 2.177 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.427 -2.161 1.769 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.383 -3.517 0.643 1.00 1.00 H ATOM 75 N SER A 5 3.556 -0.210 -0.397 1.00 1.00 N ATOM 76 CA SER A 5 3.660 0.702 -1.603 1.00 1.00 C ATOM 77 C SER A 5 2.644 0.349 -2.585 1.00 1.00 C ATOM 78 CB SER A 5 5.097 0.709 -2.201 1.00 1.00 C ATOM 79 H SER A 5 3.175 0.125 0.448 1.00 1.00 H ATOM 80 HB2 SER A 5 5.315 -0.248 -2.647 1.00 1.00 H ATOM 81 HB3 SER A 5 5.170 1.479 -2.954 1.00 1.00 H HETATM 82 N BB9 A 6 1.444 0.830 -2.669 1.00 1.00 N HETATM 83 CA BB9 A 6 0.739 0.290 -3.685 1.00 1.00 C HETATM 84 C BB9 A 6 -0.629 0.664 -3.984 1.00 1.00 C HETATM 85 O BB9 A 6 -1.288 0.218 -4.921 1.00 1.00 O HETATM 86 CB BB9 A 6 1.456 -0.685 -4.440 1.00 1.00 C HETATM 87 SG BB9 A 6 2.999 -0.839 -3.783 1.00 1.00 S HETATM 88 HB BB9 A 6 1.072 -1.234 -5.288 1.00 1.00 H ATOM 89 N THR A 7 -1.117 1.545 -3.112 1.00 1.00 N ATOM 90 CA THR A 7 -2.481 2.054 -3.212 1.00 1.00 C ATOM 91 C THR A 7 -2.518 3.561 -2.972 1.00 1.00 C ATOM 92 O THR A 7 -1.512 4.163 -2.596 1.00 1.00 O ATOM 93 CB THR A 7 -3.422 1.353 -2.210 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.757 1.851 -2.359 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.957 1.561 -0.774 1.00 1.00 C ATOM 96 H THR A 7 -0.545 1.859 -2.381 1.00 1.00 H ATOM 97 HA THR A 7 -2.841 1.851 -4.212 1.00 1.00 H ATOM 98 HB THR A 7 -3.419 0.293 -2.421 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.110 2.085 -1.496 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.111 2.591 -0.490 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.907 1.320 -0.697 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.523 0.918 -0.116 1.00 1.00 H HETATM 103 N DBU A 8 -3.681 4.165 -3.191 1.00 1.00 N HETATM 104 CA DBU A 8 -3.936 5.599 -3.021 1.00 1.00 C HETATM 105 CB DBU A 8 -3.419 6.552 -3.795 1.00 1.00 C HETATM 106 CG DBU A 8 -2.481 6.257 -4.975 1.00 1.00 C HETATM 107 C DBU A 8 -4.838 5.953 -1.898 1.00 1.00 C HETATM 108 H DBU A 8 -4.426 3.602 -3.490 1.00 1.00 H HETATM 109 HB DBU A 8 -3.669 7.580 -3.586 1.00 1.00 H HETATM 110 HG1 DBU A 8 -1.585 5.775 -4.613 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.217 7.182 -5.466 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.980 5.607 -5.678 1.00 1.00 H HETATM 113 N DCY A 9 -5.362 5.061 -1.099 1.00 1.00 N HETATM 114 CA DCY A 9 -6.223 5.683 -0.081 1.00 1.00 C HETATM 115 C DCY A 9 -6.191 4.984 1.265 1.00 1.00 C HETATM 116 O DCY A 9 -6.229 5.677 2.283 1.00 1.00 O HETATM 117 CB DCY A 9 -5.788 7.138 0.066 1.00 1.00 C HETATM 118 SG DCY A 9 -5.261 7.603 -1.586 1.00 1.00 S HETATM 119 HA DCY A 9 -7.239 5.674 -0.444 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.622 7.747 0.400 1.00 1.00 H HETATM 121 HB3 DCY A 9 -4.956 7.222 0.743 1.00 1.00 H HETATM 122 N TS9 A 10 -6.125 3.654 1.291 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.245 2.916 2.547 1.00 1.00 C HETATM 124 C TS9 A 10 -4.947 3.024 3.351 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.638 1.418 2.287 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.579 0.774 1.604 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.912 0.708 3.578 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.914 1.421 1.373 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.863 2.286 2.014 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.564 0.062 1.145 1.00 1.00 C HETATM 131 H TS9 A 10 -5.992 3.162 0.454 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.039 3.382 3.112 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.250 1.348 0.908 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.118 -0.334 3.380 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.767 1.158 4.061 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -6.052 0.784 4.225 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.663 1.839 0.410 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.556 1.758 2.418 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -7.797 -0.689 1.031 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.168 0.097 0.250 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.189 -0.186 1.990 1.00 1.00 H HETATM 142 N BB9 A 11 -3.801 2.520 3.010 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.846 2.787 3.933 1.00 1.00 C HETATM 144 C BB9 A 11 -1.466 2.354 3.825 1.00 1.00 C HETATM 145 O BB9 A 11 -0.600 2.603 4.664 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.306 3.546 5.052 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.943 3.871 4.846 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.702 3.858 5.891 1.00 1.00 H ATOM 149 N THR A 12 -1.211 1.649 2.723 1.00 1.00 N ATOM 150 CA THR A 12 0.140 1.166 2.437 1.00 1.00 C ATOM 151 C THR A 12 0.742 1.895 1.248 1.00 1.00 C ATOM 152 CB THR A 12 0.184 -0.355 2.199 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.902 -0.779 1.280 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.004 -1.111 3.495 1.00 1.00 C ATOM 155 H THR A 12 -1.937 1.453 2.096 1.00 1.00 H ATOM 156 HA THR A 12 0.746 1.371 3.306 1.00 1.00 H ATOM 157 HB THR A 12 1.146 -0.622 1.785 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.738 -0.606 4.106 1.00 1.00 H ATOM 159 HG22 THR A 12 0.940 -1.151 4.018 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.340 -2.114 3.281 1.00 1.00 H HETATM 161 N BB9 A 13 1.871 1.589 0.715 1.00 1.00 N HETATM 162 CA BB9 A 13 2.172 2.388 -0.321 1.00 1.00 C HETATM 163 C BB9 A 13 3.459 2.163 -1.054 1.00 1.00 C HETATM 164 CB BB9 A 13 1.185 3.388 -0.600 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.072 3.218 0.512 1.00 1.00 S HETATM 166 HB BB9 A 13 1.238 4.125 -1.387 1.00 1.00 H HETATM 167 HC BB9 A 13 3.493 2.841 -1.894 1.00 1.00 H HETATM 168 N MH6 A 14 4.492 2.534 -0.074 1.00 1.00 N HETATM 169 CA MH6 A 14 5.657 1.990 -0.139 1.00 1.00 C HETATM 170 C MH6 A 14 6.625 2.428 0.890 1.00 1.00 C HETATM 171 CB MH6 A 14 6.127 0.989 -1.110 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.337 0.067 -0.592 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.034 1.343 -1.582 1.00 1.00 H HETATM 174 N BB9 A 15 7.830 1.973 0.975 1.00 1.00 N HETATM 175 CA BB9 A 15 8.505 2.536 2.002 1.00 1.00 C HETATM 176 C BB9 A 15 9.878 2.204 2.323 1.00 1.00 C HETATM 177 O BB9 A 15 10.519 2.707 3.245 1.00 1.00 O HETATM 178 CB BB9 A 15 7.748 3.493 2.750 1.00 1.00 C HETATM 179 SG BB9 A 15 6.206 3.601 2.074 1.00 1.00 S HETATM 180 HB BB9 A 15 8.103 4.051 3.603 1.00 1.00 H HETATM 181 N DHA A 16 10.378 1.279 1.500 1.00 1.00 N HETATM 182 CA DHA A 16 11.734 0.703 1.543 1.00 1.00 C HETATM 183 CB DHA A 16 12.669 0.977 2.442 1.00 1.00 C HETATM 184 C DHA A 16 11.979 -0.241 0.465 1.00 1.00 C HETATM 185 O DHA A 16 11.055 -0.437 -0.323 1.00 1.00 O HETATM 186 H DHA A 16 9.777 0.954 0.796 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.470 1.679 3.236 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.633 0.496 2.381 1.00 1.00 H HETATM 189 N DHA A 17 13.170 -0.840 0.371 1.00 1.00 N HETATM 190 CA DHA A 17 13.578 -1.821 -0.652 1.00 1.00 C HETATM 191 CB DHA A 17 12.797 -2.335 -1.592 1.00 1.00 C HETATM 192 C DHA A 17 14.978 -2.199 -0.547 1.00 1.00 C HETATM 193 O DHA A 17 15.640 -1.680 0.349 1.00 1.00 O HETATM 194 H DHA A 17 13.837 -0.594 1.045 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.762 -2.043 -1.657 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.199 -3.048 -2.295 1.00 1.00 H HETATM 197 N NH2 A 18 15.489 -3.075 -1.407 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.433 -3.325 -1.334 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.916 -3.457 -2.105 1.00 1.00 H TER 200 NH2 A 18