HETATM 1 O12 QUA A 0 0.570 -1.158 -0.416 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.571 -1.171 0.046 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.761 -1.636 -0.737 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.986 -1.657 -0.147 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.536 -2.026 -2.050 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.021 -2.089 -0.922 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.613 -2.464 -2.821 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.385 -2.105 -0.242 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.890 -2.496 -2.241 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.003 -0.819 -0.351 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.334 -3.179 -0.852 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.386 -2.897 -4.270 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.161 -2.360 -4.782 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.083 -2.937 -2.980 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.343 -4.416 -4.361 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.189 -3.246 -2.377 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.542 -1.991 -2.470 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.256 -2.332 0.807 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.333 -0.156 -0.531 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.351 -2.928 -0.597 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.200 -2.544 -4.883 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.978 -2.744 -5.642 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.040 -3.004 -4.058 1.00 1.00 H HETATM 24 H141 QUA A 0 -1.515 -4.788 -3.779 1.00 1.00 H HETATM 25 H142 QUA A 0 -2.220 -4.710 -5.394 1.00 1.00 H HETATM 26 H143 QUA A 0 -3.266 -4.827 -3.979 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.036 -3.563 -2.968 1.00 1.00 H ATOM 28 N ILE A 1 -6.041 -4.551 -0.343 1.00 1.00 N ATOM 29 CA ILE A 1 -6.373 -4.731 1.100 1.00 1.00 C ATOM 30 C ILE A 1 -5.127 -5.011 1.918 1.00 1.00 C ATOM 31 O ILE A 1 -5.162 -4.989 3.149 1.00 1.00 O ATOM 32 CB ILE A 1 -7.389 -5.874 1.312 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.939 -7.139 0.568 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.772 -5.437 0.849 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.772 -8.363 0.885 1.00 1.00 C ATOM 36 H ILE A 1 -5.093 -4.752 -0.484 1.00 1.00 H ATOM 37 HA ILE A 1 -6.812 -3.819 1.461 1.00 1.00 H ATOM 38 HB ILE A 1 -7.441 -6.087 2.368 1.00 1.00 H ATOM 39 HG12 ILE A 1 -7.002 -6.965 -0.496 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.914 -7.359 0.830 1.00 1.00 H ATOM 41 HG21 ILE A 1 -8.764 -5.292 -0.221 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.036 -4.510 1.336 1.00 1.00 H ATOM 43 HG23 ILE A 1 -9.495 -6.197 1.105 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.345 -9.226 0.394 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.782 -8.214 0.535 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.781 -8.527 1.953 1.00 1.00 H ATOM 47 N ALA A 2 -4.025 -5.270 1.225 1.00 1.00 N ATOM 48 CA ALA A 2 -2.784 -5.647 1.880 1.00 1.00 C ATOM 49 C ALA A 2 -1.632 -5.689 0.881 1.00 1.00 C ATOM 50 O ALA A 2 -1.688 -6.420 -0.108 1.00 1.00 O ATOM 51 CB ALA A 2 -2.957 -6.991 2.562 1.00 1.00 C ATOM 52 H ALA A 2 -4.050 -5.206 0.248 1.00 1.00 H ATOM 53 HA ALA A 2 -2.566 -4.908 2.638 1.00 1.00 H ATOM 54 HB1 ALA A 2 -3.851 -6.967 3.169 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.101 -7.193 3.186 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.052 -7.763 1.813 1.00 1.00 H HETATM 57 N DHA A 3 -0.592 -4.901 1.158 1.00 1.00 N HETATM 58 CA DHA A 3 0.576 -4.658 0.296 1.00 1.00 C HETATM 59 CB DHA A 3 0.776 -5.165 -0.913 1.00 1.00 C HETATM 60 C DHA A 3 1.539 -3.755 0.898 1.00 1.00 C HETATM 61 O DHA A 3 1.280 -3.318 2.018 1.00 1.00 O HETATM 62 H DHA A 3 -0.608 -4.442 2.024 1.00 1.00 H HETATM 63 HB1 DHA A 3 0.047 -5.823 -1.356 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.670 -4.908 -1.463 1.00 1.00 H ATOM 65 N ALA A 4 2.638 -3.435 0.229 1.00 1.00 N ATOM 66 CA ALA A 4 3.546 -2.394 0.690 1.00 1.00 C ATOM 67 C ALA A 4 3.946 -1.501 -0.474 1.00 1.00 C ATOM 68 O ALA A 4 4.562 -1.968 -1.431 1.00 1.00 O ATOM 69 CB ALA A 4 4.771 -3.016 1.342 1.00 1.00 C ATOM 70 H ALA A 4 2.848 -3.913 -0.600 1.00 1.00 H ATOM 71 HA ALA A 4 3.030 -1.799 1.431 1.00 1.00 H ATOM 72 HB1 ALA A 4 4.454 -3.707 2.110 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.376 -2.239 1.785 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.347 -3.542 0.597 1.00 1.00 H ATOM 75 N SER A 5 3.579 -0.217 -0.393 1.00 1.00 N ATOM 76 CA SER A 5 3.697 0.702 -1.593 1.00 1.00 C ATOM 77 C SER A 5 2.686 0.355 -2.585 1.00 1.00 C ATOM 78 CB SER A 5 5.139 0.705 -2.179 1.00 1.00 C ATOM 79 H SER A 5 3.212 0.121 0.458 1.00 1.00 H ATOM 80 HB2 SER A 5 5.361 -0.254 -2.619 1.00 1.00 H ATOM 81 HB3 SER A 5 5.219 1.473 -2.935 1.00 1.00 H HETATM 82 N BB9 A 6 1.483 0.831 -2.668 1.00 1.00 N HETATM 83 CA BB9 A 6 0.787 0.300 -3.695 1.00 1.00 C HETATM 84 C BB9 A 6 -0.584 0.668 -3.998 1.00 1.00 C HETATM 85 O BB9 A 6 -1.232 0.225 -4.946 1.00 1.00 O HETATM 86 CB BB9 A 6 1.513 -0.661 -4.461 1.00 1.00 C HETATM 87 SG BB9 A 6 3.054 -0.813 -3.798 1.00 1.00 S HETATM 88 HB BB9 A 6 1.138 -1.200 -5.317 1.00 1.00 H ATOM 89 N THR A 7 -1.086 1.536 -3.121 1.00 1.00 N ATOM 90 CA THR A 7 -2.457 2.030 -3.226 1.00 1.00 C ATOM 91 C THR A 7 -2.514 3.535 -2.987 1.00 1.00 C ATOM 92 O THR A 7 -1.518 4.153 -2.610 1.00 1.00 O ATOM 93 CB THR A 7 -3.394 1.319 -2.225 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.737 1.788 -2.392 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.949 1.555 -0.787 1.00 1.00 C ATOM 96 H THR A 7 -0.521 1.851 -2.386 1.00 1.00 H ATOM 97 HA THR A 7 -2.811 1.821 -4.226 1.00 1.00 H ATOM 98 HB THR A 7 -3.366 0.258 -2.423 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.812 2.678 -2.041 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.485 0.886 -0.131 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.159 2.576 -0.506 1.00 1.00 H ATOM 102 HG23 THR A 7 -1.888 1.369 -0.702 1.00 1.00 H HETATM 103 N DBU A 8 -3.688 4.120 -3.207 1.00 1.00 N HETATM 104 CA DBU A 8 -3.971 5.547 -3.033 1.00 1.00 C HETATM 105 CB DBU A 8 -3.458 6.514 -3.792 1.00 1.00 C HETATM 106 CG DBU A 8 -2.494 6.244 -4.956 1.00 1.00 C HETATM 107 C DBU A 8 -4.901 5.878 -1.925 1.00 1.00 C HETATM 108 H DBU A 8 -4.419 3.544 -3.513 1.00 1.00 H HETATM 109 HB DBU A 8 -3.732 7.537 -3.582 1.00 1.00 H HETATM 110 HG1 DBU A 8 -2.975 5.605 -5.682 1.00 1.00 H HETATM 111 HG2 DBU A 8 -1.605 5.757 -4.582 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.220 7.179 -5.423 1.00 1.00 H HETATM 113 N DCY A 9 -5.369 4.980 -1.099 1.00 1.00 N HETATM 114 CA DCY A 9 -6.278 5.572 -0.104 1.00 1.00 C HETATM 115 C DCY A 9 -6.189 4.935 1.269 1.00 1.00 C HETATM 116 O DCY A 9 -6.187 5.672 2.257 1.00 1.00 O HETATM 117 CB DCY A 9 -5.967 7.064 -0.017 1.00 1.00 C HETATM 118 SG DCY A 9 -5.437 7.505 -1.675 1.00 1.00 S HETATM 119 HA DCY A 9 -7.290 5.464 -0.463 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.857 7.616 0.270 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.163 7.247 0.673 1.00 1.00 H HETATM 122 N TS9 A 10 -6.118 3.608 1.352 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.205 2.921 2.639 1.00 1.00 C HETATM 124 C TS9 A 10 -4.889 3.058 3.407 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.601 1.415 2.448 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.562 0.746 1.757 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.835 0.751 3.771 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.905 1.380 1.575 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.854 2.220 2.244 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.521 0.002 1.368 1.00 1.00 C HETATM 131 H TS9 A 10 -6.003 3.082 0.534 1.00 1.00 H HETATM 132 HA TS9 A 10 -6.986 3.409 3.206 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.431 -0.125 2.138 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.666 1.228 4.271 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -5.949 0.838 4.383 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -7.062 -0.293 3.617 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.694 1.801 0.604 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.722 2.099 1.851 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.215 0.038 0.542 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.046 -0.295 2.265 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.742 -0.714 1.154 1.00 1.00 H HETATM 142 N BB9 A 11 -3.752 2.545 3.053 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.775 2.842 3.942 1.00 1.00 C HETATM 144 C BB9 A 11 -1.399 2.407 3.812 1.00 1.00 C HETATM 145 O BB9 A 11 -0.510 2.683 4.619 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.206 3.637 5.047 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.847 3.955 4.873 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.579 3.975 5.858 1.00 1.00 H ATOM 149 N THR A 12 -1.173 1.665 2.729 1.00 1.00 N ATOM 150 CA THR A 12 0.165 1.164 2.431 1.00 1.00 C ATOM 151 C THR A 12 0.768 1.890 1.243 1.00 1.00 C ATOM 152 CB THR A 12 0.184 -0.357 2.191 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.908 -0.766 1.272 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.015 -1.108 3.488 1.00 1.00 C ATOM 155 H THR A 12 -1.915 1.454 2.124 1.00 1.00 H ATOM 156 HA THR A 12 0.781 1.358 3.296 1.00 1.00 H ATOM 157 HB THR A 12 1.144 -0.638 1.777 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.389 -2.098 3.278 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.719 -0.576 4.111 1.00 1.00 H ATOM 160 HG23 THR A 12 0.935 -1.183 3.998 1.00 1.00 H HETATM 161 N BB9 A 13 1.901 1.589 0.718 1.00 1.00 N HETATM 162 CA BB9 A 13 2.203 2.384 -0.319 1.00 1.00 C HETATM 163 C BB9 A 13 3.494 2.160 -1.041 1.00 1.00 C HETATM 164 CB BB9 A 13 1.213 3.375 -0.609 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.051 3.204 0.495 1.00 1.00 S HETATM 166 HB BB9 A 13 1.265 4.108 -1.401 1.00 1.00 H HETATM 167 HC BB9 A 13 3.537 2.843 -1.878 1.00 1.00 H HETATM 168 N MH6 A 14 4.520 2.526 -0.051 1.00 1.00 N HETATM 169 CA MH6 A 14 5.684 1.984 -0.110 1.00 1.00 C HETATM 170 C MH6 A 14 6.641 2.418 0.932 1.00 1.00 C HETATM 171 CB MH6 A 14 6.162 0.989 -1.081 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.375 0.066 -0.565 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.070 1.347 -1.547 1.00 1.00 H HETATM 174 N BB9 A 15 7.858 1.991 1.010 1.00 1.00 N HETATM 175 CA BB9 A 15 8.516 2.548 2.053 1.00 1.00 C HETATM 176 C BB9 A 15 9.896 2.244 2.373 1.00 1.00 C HETATM 177 O BB9 A 15 10.510 2.727 3.324 1.00 1.00 O HETATM 178 CB BB9 A 15 7.730 3.466 2.820 1.00 1.00 C HETATM 179 SG BB9 A 15 6.191 3.552 2.142 1.00 1.00 S HETATM 180 HB BB9 A 15 8.068 4.013 3.688 1.00 1.00 H HETATM 181 N DHA A 16 10.440 1.390 1.504 1.00 1.00 N HETATM 182 CA DHA A 16 11.812 0.852 1.545 1.00 1.00 C HETATM 183 CB DHA A 16 12.680 1.010 2.534 1.00 1.00 C HETATM 184 C DHA A 16 12.156 0.095 0.350 1.00 1.00 C HETATM 185 O DHA A 16 11.288 0.003 -0.517 1.00 1.00 O HETATM 186 H DHA A 16 9.871 1.105 0.759 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.407 1.575 3.411 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.664 0.573 2.462 1.00 1.00 H HETATM 189 N DHA A 17 13.368 -0.458 0.246 1.00 1.00 N HETATM 190 CA DHA A 17 13.878 -1.234 -0.901 1.00 1.00 C HETATM 191 CB DHA A 17 13.228 -1.472 -2.031 1.00 1.00 C HETATM 192 C DHA A 17 15.222 -1.747 -0.687 1.00 1.00 C HETATM 193 O DHA A 17 15.764 -1.487 0.387 1.00 1.00 O HETATM 194 H DHA A 17 13.971 -0.337 1.007 1.00 1.00 H HETATM 195 HB1 DHA A 17 12.233 -1.084 -2.178 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.697 -2.054 -2.810 1.00 1.00 H HETATM 197 N NH2 A 18 15.813 -2.463 -1.637 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.719 -2.806 -1.488 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.336 -2.640 -2.473 1.00 1.00 H TER 200 NH2 A 18