HETATM 1 O12 QUA A 0 0.587 -1.154 -0.417 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.555 -1.173 0.042 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.740 -1.649 -0.742 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.963 -1.691 -0.151 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.511 -2.029 -2.058 1.00 1.00 C HETATM 6 C9 QUA A 0 -3.993 -2.133 -0.928 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.583 -2.476 -2.829 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.356 -2.173 -0.244 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.859 -2.529 -2.249 1.00 1.00 C HETATM 10 O16 QUA A 0 -5.987 -0.892 -0.334 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.295 -3.247 -0.865 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.353 -2.899 -4.281 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.142 -2.333 -4.796 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.045 -2.982 -2.990 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.276 -4.416 -4.376 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.147 -3.307 -2.390 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.518 -1.977 -2.478 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.221 -2.413 0.802 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.752 -0.951 -0.911 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.315 -3.003 -0.612 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.176 -2.562 -4.891 1.00 1.00 H HETATM 22 H15 QUA A 0 -1.191 -2.288 -5.754 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.000 -3.043 -4.067 1.00 1.00 H HETATM 24 H141 QUA A 0 -3.177 -4.851 -3.973 1.00 1.00 H HETATM 25 H142 QUA A 0 -1.423 -4.770 -3.815 1.00 1.00 H HETATM 26 H143 QUA A 0 -2.169 -4.706 -5.412 1.00 1.00 H HETATM 27 HC6 QUA A 0 -6.989 -3.630 -2.984 1.00 1.00 H ATOM 28 N ILE A 1 -5.997 -4.622 -0.361 1.00 1.00 N ATOM 29 CA ILE A 1 -6.358 -4.815 1.074 1.00 1.00 C ATOM 30 C ILE A 1 -5.130 -5.116 1.912 1.00 1.00 C ATOM 31 O ILE A 1 -5.193 -5.129 3.142 1.00 1.00 O ATOM 32 CB ILE A 1 -7.390 -5.952 1.248 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.917 -7.225 0.535 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.748 -5.511 0.721 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.784 -8.436 0.807 1.00 1.00 C ATOM 36 H ILE A 1 -5.044 -4.811 -0.484 1.00 1.00 H ATOM 37 HA ILE A 1 -6.796 -3.904 1.436 1.00 1.00 H ATOM 38 HB ILE A 1 -7.490 -6.155 2.304 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.916 -7.054 -0.531 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.912 -7.459 0.856 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.035 -4.583 1.195 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.485 -6.269 0.942 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.691 -5.366 -0.348 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.885 -8.574 1.873 1.00 1.00 H ATOM 45 HD12 ILE A 1 -7.327 -9.312 0.372 1.00 1.00 H ATOM 46 HD13 ILE A 1 -8.760 -8.286 0.369 1.00 1.00 H ATOM 47 N ALA A 2 -4.010 -5.349 1.237 1.00 1.00 N ATOM 48 CA ALA A 2 -2.780 -5.740 1.907 1.00 1.00 C ATOM 49 C ALA A 2 -1.616 -5.778 0.923 1.00 1.00 C ATOM 50 O ALA A 2 -1.630 -6.554 -0.033 1.00 1.00 O ATOM 51 CB ALA A 2 -2.969 -7.092 2.572 1.00 1.00 C ATOM 52 H ALA A 2 -4.011 -5.255 0.262 1.00 1.00 H ATOM 53 HA ALA A 2 -2.569 -5.011 2.676 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.860 -7.064 3.183 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.113 -7.314 3.189 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.079 -7.851 1.814 1.00 1.00 H HETATM 57 N DHA A 3 -0.609 -4.941 1.177 1.00 1.00 N HETATM 58 CA DHA A 3 0.549 -4.676 0.307 1.00 1.00 C HETATM 59 CB DHA A 3 0.741 -5.167 -0.909 1.00 1.00 C HETATM 60 C DHA A 3 1.509 -3.769 0.909 1.00 1.00 C HETATM 61 O DHA A 3 1.258 -3.347 2.036 1.00 1.00 O HETATM 62 H DHA A 3 -0.642 -4.462 2.032 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.013 -5.826 -1.352 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.626 -4.895 -1.466 1.00 1.00 H ATOM 65 N ALA A 4 2.598 -3.430 0.233 1.00 1.00 N ATOM 66 CA ALA A 4 3.503 -2.390 0.701 1.00 1.00 C ATOM 67 C ALA A 4 3.915 -1.502 -0.465 1.00 1.00 C ATOM 68 O ALA A 4 4.528 -1.979 -1.419 1.00 1.00 O ATOM 69 CB ALA A 4 4.721 -3.010 1.366 1.00 1.00 C ATOM 70 H ALA A 4 2.802 -3.894 -0.606 1.00 1.00 H ATOM 71 HA ALA A 4 2.981 -1.791 1.434 1.00 1.00 H ATOM 72 HB1 ALA A 4 5.271 -3.591 0.641 1.00 1.00 H ATOM 73 HB2 ALA A 4 4.399 -3.652 2.173 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.354 -2.228 1.758 1.00 1.00 H ATOM 75 N SER A 5 3.565 -0.213 -0.384 1.00 1.00 N ATOM 76 CA SER A 5 3.687 0.700 -1.586 1.00 1.00 C ATOM 77 C SER A 5 2.672 0.361 -2.573 1.00 1.00 C ATOM 78 CB SER A 5 5.127 0.687 -2.176 1.00 1.00 C ATOM 79 H SER A 5 3.206 0.131 0.468 1.00 1.00 H ATOM 80 HB2 SER A 5 5.336 -0.273 -2.619 1.00 1.00 H ATOM 81 HB3 SER A 5 5.217 1.456 -2.929 1.00 1.00 H HETATM 82 N BB9 A 6 1.472 0.842 -2.644 1.00 1.00 N HETATM 83 CA BB9 A 6 0.765 0.320 -3.666 1.00 1.00 C HETATM 84 C BB9 A 6 -0.604 0.699 -3.952 1.00 1.00 C HETATM 85 O BB9 A 6 -1.264 0.274 -4.901 1.00 1.00 O HETATM 86 CB BB9 A 6 1.480 -0.642 -4.442 1.00 1.00 C HETATM 87 SG BB9 A 6 3.025 -0.805 -3.793 1.00 1.00 S HETATM 88 HB BB9 A 6 1.094 -1.176 -5.298 1.00 1.00 H ATOM 89 N THR A 7 -1.094 1.552 -3.054 1.00 1.00 N ATOM 90 CA THR A 7 -2.464 2.048 -3.130 1.00 1.00 C ATOM 91 C THR A 7 -2.515 3.555 -2.898 1.00 1.00 C ATOM 92 O THR A 7 -1.530 4.162 -2.476 1.00 1.00 O ATOM 93 CB THR A 7 -3.377 1.346 -2.103 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.717 1.835 -2.223 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.880 1.566 -0.679 1.00 1.00 C ATOM 96 H THR A 7 -0.518 1.855 -2.322 1.00 1.00 H ATOM 97 HA THR A 7 -2.842 1.834 -4.119 1.00 1.00 H ATOM 98 HB THR A 7 -3.372 0.285 -2.309 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.262 1.453 -1.531 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.056 2.591 -0.389 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.822 1.354 -0.631 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.409 0.907 -0.008 1.00 1.00 H HETATM 103 N DBU A 8 -3.669 4.152 -3.176 1.00 1.00 N HETATM 104 CA DBU A 8 -3.943 5.585 -3.019 1.00 1.00 C HETATM 105 CB DBU A 8 -3.404 6.541 -3.771 1.00 1.00 C HETATM 106 CG DBU A 8 -2.413 6.255 -4.911 1.00 1.00 C HETATM 107 C DBU A 8 -4.895 5.929 -1.935 1.00 1.00 C HETATM 108 H DBU A 8 -4.392 3.584 -3.513 1.00 1.00 H HETATM 109 HB DBU A 8 -3.672 7.568 -3.575 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.114 7.186 -5.370 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.886 5.626 -5.650 1.00 1.00 H HETATM 112 HG3 DBU A 8 -1.542 5.752 -4.514 1.00 1.00 H HETATM 113 N DCY A 9 -5.405 5.036 -1.129 1.00 1.00 N HETATM 114 CA DCY A 9 -6.326 5.640 -0.155 1.00 1.00 C HETATM 115 C DCY A 9 -6.283 4.989 1.214 1.00 1.00 C HETATM 116 O DCY A 9 -6.398 5.709 2.207 1.00 1.00 O HETATM 117 CB DCY A 9 -5.988 7.125 -0.047 1.00 1.00 C HETATM 118 SG DCY A 9 -5.402 7.567 -1.686 1.00 1.00 S HETATM 119 HA DCY A 9 -7.330 5.554 -0.539 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.874 7.694 0.218 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.200 7.288 0.668 1.00 1.00 H HETATM 122 N TS9 A 10 -6.125 3.668 1.288 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.236 2.961 2.561 1.00 1.00 C HETATM 124 C TS9 A 10 -4.928 3.070 3.349 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.653 1.466 2.340 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.623 0.796 1.635 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.897 0.782 3.650 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.958 1.471 1.465 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.891 2.325 2.142 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.606 0.111 1.239 1.00 1.00 C HETATM 131 H TS9 A 10 -5.929 3.162 0.472 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.017 3.452 3.124 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.400 -0.018 2.093 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.702 1.278 4.171 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -6.001 0.821 4.252 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.165 -0.249 3.476 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.737 1.900 0.498 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.702 2.380 1.633 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.091 -0.212 2.149 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -7.851 -0.608 0.961 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -9.338 0.187 0.449 1.00 1.00 H HETATM 142 N BB9 A 11 -3.786 2.559 3.000 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.822 2.829 3.914 1.00 1.00 C HETATM 144 C BB9 A 11 -1.443 2.392 3.799 1.00 1.00 C HETATM 145 O BB9 A 11 -0.571 2.652 4.630 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.268 3.597 5.031 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.905 3.927 4.839 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.654 3.912 5.861 1.00 1.00 H ATOM 149 N THR A 12 -1.194 1.668 2.710 1.00 1.00 N ATOM 150 CA THR A 12 0.154 1.173 2.431 1.00 1.00 C ATOM 151 C THR A 12 0.770 1.905 1.253 1.00 1.00 C ATOM 152 CB THR A 12 0.184 -0.348 2.187 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.901 -0.761 1.263 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.020 -1.109 3.479 1.00 1.00 C ATOM 155 H THR A 12 -1.922 1.466 2.085 1.00 1.00 H ATOM 156 HA THR A 12 0.755 1.369 3.306 1.00 1.00 H ATOM 157 HB THR A 12 1.146 -0.623 1.777 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.733 -0.584 4.098 1.00 1.00 H ATOM 159 HG22 THR A 12 0.926 -1.183 3.995 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.389 -2.098 3.258 1.00 1.00 H HETATM 161 N BB9 A 13 1.897 1.591 0.719 1.00 1.00 N HETATM 162 CA BB9 A 13 2.212 2.397 -0.307 1.00 1.00 C HETATM 163 C BB9 A 13 3.497 2.163 -1.041 1.00 1.00 C HETATM 164 CB BB9 A 13 1.238 3.411 -0.578 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.024 3.246 0.527 1.00 1.00 S HETATM 166 HB BB9 A 13 1.302 4.156 -1.358 1.00 1.00 H HETATM 167 HC BB9 A 13 3.531 2.838 -1.884 1.00 1.00 H HETATM 168 N MH6 A 14 4.538 2.537 -0.069 1.00 1.00 N HETATM 169 CA MH6 A 14 5.696 1.977 -0.126 1.00 1.00 C HETATM 170 C MH6 A 14 6.671 2.425 0.891 1.00 1.00 C HETATM 171 CB MH6 A 14 6.152 0.954 -1.079 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.332 0.032 -0.547 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.073 1.277 -1.544 1.00 1.00 H HETATM 174 N BB9 A 15 7.875 1.968 0.977 1.00 1.00 N HETATM 175 CA BB9 A 15 8.557 2.546 1.991 1.00 1.00 C HETATM 176 C BB9 A 15 9.931 2.219 2.314 1.00 1.00 C HETATM 177 O BB9 A 15 10.570 2.736 3.229 1.00 1.00 O HETATM 178 CB BB9 A 15 7.805 3.516 2.727 1.00 1.00 C HETATM 179 SG BB9 A 15 6.261 3.618 2.057 1.00 1.00 S HETATM 180 HB BB9 A 15 8.165 4.087 3.569 1.00 1.00 H HETATM 181 N DHA A 16 10.431 1.276 1.511 1.00 1.00 N HETATM 182 CA DHA A 16 11.810 0.752 1.529 1.00 1.00 C HETATM 183 CB DHA A 16 12.812 1.225 2.258 1.00 1.00 C HETATM 184 C DHA A 16 11.996 -0.385 0.642 1.00 1.00 C HETATM 185 O DHA A 16 11.013 -0.762 0.006 1.00 1.00 O HETATM 186 H DHA A 16 9.814 0.892 0.853 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.657 2.068 2.911 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.786 0.764 2.198 1.00 1.00 H HETATM 189 N DHA A 17 13.200 -0.959 0.550 1.00 1.00 N HETATM 190 CA DHA A 17 13.553 -2.125 -0.281 1.00 1.00 C HETATM 191 CB DHA A 17 12.712 -2.843 -1.011 1.00 1.00 C HETATM 192 C DHA A 17 14.971 -2.444 -0.239 1.00 1.00 C HETATM 193 O DHA A 17 15.693 -1.733 0.461 1.00 1.00 O HETATM 194 H DHA A 17 13.917 -0.558 1.084 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.664 -2.594 -1.032 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.078 -3.680 -1.586 1.00 1.00 H HETATM 197 N NH2 A 18 15.436 -3.472 -0.940 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.392 -3.684 -0.908 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.816 -4.006 -1.480 1.00 1.00 H TER 200 NH2 A 18