HETATM 1 O12 QUA A 0 0.584 -1.141 -0.392 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.558 -1.165 0.068 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.744 -1.628 -0.722 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.970 -1.668 -0.133 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.514 -1.998 -2.042 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.000 -2.096 -0.916 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.588 -2.432 -2.820 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.367 -2.136 -0.238 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.865 -2.482 -2.241 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.002 -0.856 -0.334 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.296 -3.214 -0.865 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.358 -2.844 -4.275 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.131 -2.300 -4.778 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.054 -2.920 -2.988 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.314 -4.361 -4.389 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.156 -3.250 -2.390 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.520 -1.948 -2.459 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.237 -2.375 0.809 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.363 -0.202 -0.626 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.317 -2.992 -0.600 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.170 -2.482 -4.886 1.00 1.00 H HETATM 22 H15 QUA A 0 -1.104 -2.400 -5.732 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.013 -2.965 -4.066 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.534 -4.748 -3.751 1.00 1.00 H HETATM 25 H142 QUA A 0 -2.112 -4.640 -5.413 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.266 -4.774 -4.086 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.002 -3.563 -2.985 1.00 1.00 H ATOM 28 N ILE A 1 -5.967 -4.590 -0.384 1.00 1.00 N ATOM 29 CA ILE A 1 -6.359 -4.834 1.034 1.00 1.00 C ATOM 30 C ILE A 1 -5.140 -5.100 1.898 1.00 1.00 C ATOM 31 O ILE A 1 -5.218 -5.066 3.127 1.00 1.00 O ATOM 32 CB ILE A 1 -7.338 -6.023 1.151 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.813 -7.228 0.360 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.721 -5.615 0.661 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.626 -8.491 0.560 1.00 1.00 C ATOM 36 H ILE A 1 -5.006 -4.745 -0.486 1.00 1.00 H ATOM 37 HA ILE A 1 -6.849 -3.954 1.406 1.00 1.00 H ATOM 38 HB ILE A 1 -7.418 -6.292 2.194 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.828 -6.992 -0.693 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.798 -7.436 0.663 1.00 1.00 H ATOM 41 HG21 ILE A 1 -8.692 -5.458 -0.407 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.021 -4.701 1.151 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.430 -6.396 0.890 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.109 -9.325 0.111 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.593 -8.374 0.095 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.755 -8.672 1.617 1.00 1.00 H ATOM 47 N ALA A 2 -4.012 -5.355 1.246 1.00 1.00 N ATOM 48 CA ALA A 2 -2.786 -5.699 1.947 1.00 1.00 C ATOM 49 C ALA A 2 -1.609 -5.767 0.980 1.00 1.00 C ATOM 50 O ALA A 2 -1.603 -6.580 0.056 1.00 1.00 O ATOM 51 CB ALA A 2 -2.965 -7.019 2.675 1.00 1.00 C ATOM 52 H ALA A 2 -4.005 -5.311 0.268 1.00 1.00 H ATOM 53 HA ALA A 2 -2.593 -4.932 2.683 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.071 -7.814 1.953 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.855 -6.969 3.286 1.00 1.00 H ATOM 56 HB3 ALA A 2 -2.107 -7.209 3.300 1.00 1.00 H HETATM 57 N DHA A 3 -0.612 -4.913 1.215 1.00 1.00 N HETATM 58 CA DHA A 3 0.542 -4.657 0.339 1.00 1.00 C HETATM 59 CB DHA A 3 0.720 -5.146 -0.880 1.00 1.00 C HETATM 60 C DHA A 3 1.514 -3.763 0.938 1.00 1.00 C HETATM 61 O DHA A 3 1.273 -3.342 2.068 1.00 1.00 O HETATM 62 H DHA A 3 -0.649 -4.418 2.060 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.018 -5.796 -1.319 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.604 -4.881 -1.442 1.00 1.00 H ATOM 65 N ALA A 4 2.603 -3.432 0.259 1.00 1.00 N ATOM 66 CA ALA A 4 3.513 -2.395 0.721 1.00 1.00 C ATOM 67 C ALA A 4 3.923 -1.508 -0.445 1.00 1.00 C ATOM 68 O ALA A 4 4.551 -1.982 -1.392 1.00 1.00 O ATOM 69 CB ALA A 4 4.729 -3.021 1.385 1.00 1.00 C ATOM 70 H ALA A 4 2.801 -3.901 -0.579 1.00 1.00 H ATOM 71 HA ALA A 4 2.995 -1.794 1.455 1.00 1.00 H ATOM 72 HB1 ALA A 4 4.405 -3.672 2.184 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.360 -2.242 1.787 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.283 -3.593 0.656 1.00 1.00 H ATOM 75 N SER A 5 3.552 -0.224 -0.375 1.00 1.00 N ATOM 76 CA SER A 5 3.678 0.689 -1.579 1.00 1.00 C ATOM 77 C SER A 5 2.670 0.348 -2.573 1.00 1.00 C ATOM 78 CB SER A 5 5.121 0.681 -2.162 1.00 1.00 C ATOM 79 H SER A 5 3.177 0.117 0.470 1.00 1.00 H ATOM 80 HB2 SER A 5 5.334 -0.279 -2.604 1.00 1.00 H ATOM 81 HB3 SER A 5 5.208 1.448 -2.917 1.00 1.00 H HETATM 82 N BB9 A 6 1.476 0.840 -2.668 1.00 1.00 N HETATM 83 CA BB9 A 6 0.780 0.312 -3.695 1.00 1.00 C HETATM 84 C BB9 A 6 -0.582 0.698 -4.009 1.00 1.00 C HETATM 85 O BB9 A 6 -1.232 0.261 -4.960 1.00 1.00 O HETATM 86 CB BB9 A 6 1.497 -0.664 -4.450 1.00 1.00 C HETATM 87 SG BB9 A 6 3.030 -0.834 -3.776 1.00 1.00 S HETATM 88 HB BB9 A 6 1.120 -1.205 -5.305 1.00 1.00 H ATOM 89 N THR A 7 -1.079 1.574 -3.139 1.00 1.00 N ATOM 90 CA THR A 7 -2.447 2.069 -3.244 1.00 1.00 C ATOM 91 C THR A 7 -2.508 3.572 -2.997 1.00 1.00 C ATOM 92 O THR A 7 -1.511 4.192 -2.621 1.00 1.00 O ATOM 93 CB THR A 7 -3.385 1.351 -2.250 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.728 1.820 -2.415 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.941 1.573 -0.809 1.00 1.00 C ATOM 96 H THR A 7 -0.510 1.895 -2.408 1.00 1.00 H ATOM 97 HA THR A 7 -2.799 1.866 -4.245 1.00 1.00 H ATOM 98 HB THR A 7 -3.357 0.291 -2.458 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.226 1.660 -1.611 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.499 0.918 -0.155 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.126 2.600 -0.528 1.00 1.00 H ATOM 102 HG23 THR A 7 -1.887 1.359 -0.720 1.00 1.00 H HETATM 103 N DBU A 8 -3.683 4.154 -3.213 1.00 1.00 N HETATM 104 CA DBU A 8 -3.971 5.580 -3.036 1.00 1.00 C HETATM 105 CB DBU A 8 -3.463 6.550 -3.792 1.00 1.00 C HETATM 106 CG DBU A 8 -2.499 6.287 -4.959 1.00 1.00 C HETATM 107 C DBU A 8 -4.899 5.904 -1.925 1.00 1.00 C HETATM 108 H DBU A 8 -4.415 3.575 -3.516 1.00 1.00 H HETATM 109 HB DBU A 8 -3.740 7.571 -3.579 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.252 7.222 -5.440 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.969 5.628 -5.674 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.597 5.824 -4.584 1.00 1.00 H HETATM 113 N DCY A 9 -5.376 4.999 -1.112 1.00 1.00 N HETATM 114 CA DCY A 9 -6.283 5.588 -0.113 1.00 1.00 C HETATM 115 C DCY A 9 -6.206 4.933 1.253 1.00 1.00 C HETATM 116 O DCY A 9 -6.223 5.657 2.249 1.00 1.00 O HETATM 117 CB DCY A 9 -5.956 7.074 -0.004 1.00 1.00 C HETATM 118 SG DCY A 9 -5.424 7.532 -1.658 1.00 1.00 S HETATM 119 HA DCY A 9 -7.295 5.496 -0.477 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.838 7.632 0.292 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.149 7.239 0.688 1.00 1.00 H HETATM 122 N TS9 A 10 -6.127 3.605 1.320 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.227 2.906 2.600 1.00 1.00 C HETATM 124 C TS9 A 10 -4.919 3.037 3.382 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.622 1.402 2.397 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.542 0.714 1.794 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.958 0.763 3.710 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.856 1.366 1.429 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.819 2.279 1.975 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.514 0.003 1.250 1.00 1.00 C HETATM 131 H TS9 A 10 -5.996 3.088 0.498 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.013 3.390 3.161 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.465 0.981 0.875 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.832 1.240 4.129 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.127 0.876 4.390 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.158 -0.287 3.561 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.557 1.724 0.456 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -8.901 3.042 1.398 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -7.751 -0.755 1.160 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.121 0.011 0.358 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.134 -0.212 2.107 1.00 1.00 H HETATM 142 N BB9 A 11 -3.776 2.529 3.039 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.810 2.820 3.943 1.00 1.00 C HETATM 144 C BB9 A 11 -1.431 2.389 3.828 1.00 1.00 C HETATM 145 O BB9 A 11 -0.556 2.660 4.651 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.258 3.604 5.050 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.899 3.920 4.858 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.644 3.937 5.873 1.00 1.00 H ATOM 149 N THR A 12 -1.188 1.658 2.742 1.00 1.00 N ATOM 150 CA THR A 12 0.157 1.164 2.457 1.00 1.00 C ATOM 151 C THR A 12 0.765 1.890 1.270 1.00 1.00 C ATOM 152 CB THR A 12 0.186 -0.358 2.220 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.900 -0.772 1.296 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.019 -1.109 3.517 1.00 1.00 C ATOM 155 H THR A 12 -1.920 1.450 2.125 1.00 1.00 H ATOM 156 HA THR A 12 0.764 1.363 3.327 1.00 1.00 H ATOM 157 HB THR A 12 1.148 -0.636 1.811 1.00 1.00 H ATOM 158 HG21 THR A 12 0.921 -1.153 4.048 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.361 -2.110 3.303 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.750 -0.594 4.121 1.00 1.00 H HETATM 161 N BB9 A 13 1.893 1.580 0.736 1.00 1.00 N HETATM 162 CA BB9 A 13 2.198 2.381 -0.297 1.00 1.00 C HETATM 163 C BB9 A 13 3.482 2.152 -1.033 1.00 1.00 C HETATM 164 CB BB9 A 13 1.217 3.386 -0.574 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.041 3.221 0.536 1.00 1.00 S HETATM 166 HB BB9 A 13 1.273 4.126 -1.359 1.00 1.00 H HETATM 167 HC BB9 A 13 3.511 2.826 -1.877 1.00 1.00 H HETATM 168 N MH6 A 14 4.522 2.534 -0.061 1.00 1.00 N HETATM 169 CA MH6 A 14 5.681 1.977 -0.116 1.00 1.00 C HETATM 170 C MH6 A 14 6.657 2.430 0.897 1.00 1.00 C HETATM 171 CB MH6 A 14 6.141 0.952 -1.063 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.321 0.033 -0.529 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.063 1.277 -1.527 1.00 1.00 H HETATM 174 N BB9 A 15 7.861 1.973 0.976 1.00 1.00 N HETATM 175 CA BB9 A 15 8.549 2.551 1.984 1.00 1.00 C HETATM 176 C BB9 A 15 9.925 2.219 2.293 1.00 1.00 C HETATM 177 O BB9 A 15 10.578 2.734 3.200 1.00 1.00 O HETATM 178 CB BB9 A 15 7.802 3.521 2.727 1.00 1.00 C HETATM 179 SG BB9 A 15 6.254 3.623 2.067 1.00 1.00 S HETATM 180 HB BB9 A 15 8.169 4.093 3.567 1.00 1.00 H HETATM 181 N DHA A 16 10.408 1.274 1.484 1.00 1.00 N HETATM 182 CA DHA A 16 11.765 0.700 1.517 1.00 1.00 C HETATM 183 CB DHA A 16 12.768 1.120 2.275 1.00 1.00 C HETATM 184 C DHA A 16 11.924 -0.425 0.608 1.00 1.00 C HETATM 185 O DHA A 16 10.940 -0.747 -0.055 1.00 1.00 O HETATM 186 H DHA A 16 9.791 0.923 0.808 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.630 1.955 2.944 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.726 0.626 2.224 1.00 1.00 H HETATM 189 N DHA A 17 13.099 -1.057 0.540 1.00 1.00 N HETATM 190 CA DHA A 17 13.425 -2.204 -0.327 1.00 1.00 C HETATM 191 CB DHA A 17 12.633 -2.732 -1.251 1.00 1.00 C HETATM 192 C DHA A 17 14.749 -2.747 -0.076 1.00 1.00 C HETATM 193 O DHA A 17 15.426 -2.208 0.801 1.00 1.00 O HETATM 194 H DHA A 17 13.808 -0.728 1.130 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.652 -2.320 -1.425 1.00 1.00 H HETATM 196 HB2 DHA A 17 12.972 -3.577 -1.830 1.00 1.00 H HETATM 197 N NH2 A 18 15.180 -3.785 -0.782 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.074 -4.148 -0.609 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.600 -4.177 -1.468 1.00 1.00 H TER 200 NH2 A 18