HETATM 1 O12 QUA A 0 0.569 -1.172 -0.415 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.574 -1.182 0.045 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.764 -1.636 -0.742 1.00 1.00 C HETATM 4 N1 QUA A 0 -2.993 -1.645 -0.156 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.539 -2.029 -2.055 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.026 -2.068 -0.935 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.616 -2.457 -2.829 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.395 -2.076 -0.261 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.896 -2.476 -2.253 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.018 -0.794 -0.394 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.330 -3.161 -0.865 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.389 -2.894 -4.277 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.161 -2.360 -4.789 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.091 -2.907 -2.996 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.346 -4.415 -4.363 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.197 -3.216 -2.391 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.543 -2.001 -2.471 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.272 -2.288 0.792 1.00 1.00 H HETATM 19 H16 QUA A 0 -6.709 -0.840 -1.058 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.350 -2.934 -0.598 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.200 -2.543 -4.894 1.00 1.00 H HETATM 22 H15 QUA A 0 -0.730 -3.018 -5.338 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.052 -2.962 -4.072 1.00 1.00 H HETATM 24 H141 QUA A 0 -2.156 -4.711 -5.384 1.00 1.00 H HETATM 25 H142 QUA A 0 -3.293 -4.820 -4.040 1.00 1.00 H HETATM 26 H143 QUA A 0 -1.558 -4.789 -3.726 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.047 -3.523 -2.980 1.00 1.00 H ATOM 28 N ILE A 1 -5.997 -4.530 -0.369 1.00 1.00 N ATOM 29 CA ILE A 1 -6.377 -4.756 1.056 1.00 1.00 C ATOM 30 C ILE A 1 -5.148 -4.960 1.923 1.00 1.00 C ATOM 31 O ILE A 1 -5.209 -4.829 3.146 1.00 1.00 O ATOM 32 CB ILE A 1 -7.308 -5.978 1.201 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.798 -7.141 0.340 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.732 -5.602 0.814 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.510 -8.452 0.599 1.00 1.00 C ATOM 36 H ILE A 1 -5.035 -4.687 -0.476 1.00 1.00 H ATOM 37 HA ILE A 1 -6.899 -3.887 1.410 1.00 1.00 H ATOM 38 HB ILE A 1 -7.311 -6.280 2.237 1.00 1.00 H ATOM 39 HG12 ILE A 1 -6.933 -6.894 -0.702 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.747 -7.290 0.537 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.042 -4.737 1.382 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.395 -6.428 1.028 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.770 -5.373 -0.241 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.041 -9.236 0.022 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.547 -8.363 0.310 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.448 -8.694 1.650 1.00 1.00 H ATOM 47 N ALA A 2 -4.029 -5.274 1.280 1.00 1.00 N ATOM 48 CA ALA A 2 -2.792 -5.558 1.991 1.00 1.00 C ATOM 49 C ALA A 2 -1.622 -5.671 1.021 1.00 1.00 C ATOM 50 O ALA A 2 -1.652 -6.480 0.095 1.00 1.00 O ATOM 51 CB ALA A 2 -2.948 -6.832 2.802 1.00 1.00 C ATOM 52 H ALA A 2 -4.037 -5.317 0.301 1.00 1.00 H ATOM 53 HA ALA A 2 -2.604 -4.742 2.675 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.970 -7.681 2.137 1.00 1.00 H ATOM 55 HB2 ALA A 2 -3.875 -6.787 3.358 1.00 1.00 H ATOM 56 HB3 ALA A 2 -2.120 -6.929 3.487 1.00 1.00 H HETATM 57 N DHA A 3 -0.591 -4.859 1.256 1.00 1.00 N HETATM 58 CA DHA A 3 0.567 -4.640 0.376 1.00 1.00 C HETATM 59 CB DHA A 3 0.743 -5.162 -0.830 1.00 1.00 C HETATM 60 C DHA A 3 1.548 -3.742 0.954 1.00 1.00 C HETATM 61 O DHA A 3 1.311 -3.294 2.073 1.00 1.00 O HETATM 62 H DHA A 3 -0.605 -4.368 2.104 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.001 -5.817 -1.254 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.632 -4.923 -1.395 1.00 1.00 H ATOM 65 N ALA A 4 2.637 -3.431 0.265 1.00 1.00 N ATOM 66 CA ALA A 4 3.563 -2.403 0.715 1.00 1.00 C ATOM 67 C ALA A 4 3.958 -1.510 -0.455 1.00 1.00 C ATOM 68 O ALA A 4 4.580 -1.977 -1.408 1.00 1.00 O ATOM 69 CB ALA A 4 4.787 -3.041 1.350 1.00 1.00 C ATOM 70 H ALA A 4 2.824 -3.907 -0.571 1.00 1.00 H ATOM 71 HA ALA A 4 3.064 -1.802 1.462 1.00 1.00 H ATOM 72 HB1 ALA A 4 4.473 -3.684 2.159 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.438 -2.270 1.733 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.313 -3.624 0.610 1.00 1.00 H ATOM 75 N SER A 5 3.580 -0.229 -0.377 1.00 1.00 N ATOM 76 CA SER A 5 3.689 0.690 -1.579 1.00 1.00 C ATOM 77 C SER A 5 2.677 0.342 -2.566 1.00 1.00 C ATOM 78 CB SER A 5 5.129 0.697 -2.173 1.00 1.00 C ATOM 79 H SER A 5 3.208 0.107 0.473 1.00 1.00 H ATOM 80 HB2 SER A 5 5.348 -0.262 -2.617 1.00 1.00 H ATOM 81 HB3 SER A 5 5.202 1.465 -2.929 1.00 1.00 H HETATM 82 N BB9 A 6 1.484 0.838 -2.664 1.00 1.00 N HETATM 83 CA BB9 A 6 0.781 0.299 -3.682 1.00 1.00 C HETATM 84 C BB9 A 6 -0.580 0.684 -3.999 1.00 1.00 C HETATM 85 O BB9 A 6 -1.233 0.236 -4.942 1.00 1.00 O HETATM 86 CB BB9 A 6 1.493 -0.691 -4.424 1.00 1.00 C HETATM 87 SG BB9 A 6 3.028 -0.858 -3.752 1.00 1.00 S HETATM 88 HB BB9 A 6 1.112 -1.242 -5.271 1.00 1.00 H ATOM 89 N THR A 7 -1.075 1.574 -3.139 1.00 1.00 N ATOM 90 CA THR A 7 -2.446 2.065 -3.246 1.00 1.00 C ATOM 91 C THR A 7 -2.512 3.573 -3.014 1.00 1.00 C ATOM 92 O THR A 7 -1.516 4.201 -2.658 1.00 1.00 O ATOM 93 CB THR A 7 -3.380 1.352 -2.245 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.724 1.822 -2.407 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.930 1.582 -0.808 1.00 1.00 C ATOM 96 H THR A 7 -0.503 1.907 -2.417 1.00 1.00 H ATOM 97 HA THR A 7 -2.799 1.852 -4.246 1.00 1.00 H ATOM 98 HB THR A 7 -3.354 0.292 -2.448 1.00 1.00 H ATOM 99 HG1 THR A 7 -4.880 2.560 -1.812 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.129 2.605 -0.524 1.00 1.00 H ATOM 101 HG22 THR A 7 -1.872 1.385 -0.726 1.00 1.00 H ATOM 102 HG23 THR A 7 -3.471 0.915 -0.152 1.00 1.00 H HETATM 103 N DBU A 8 -3.695 4.145 -3.221 1.00 1.00 N HETATM 104 CA DBU A 8 -3.987 5.573 -3.056 1.00 1.00 C HETATM 105 CB DBU A 8 -3.510 6.535 -3.843 1.00 1.00 C HETATM 106 CG DBU A 8 -2.580 6.258 -5.035 1.00 1.00 C HETATM 107 C DBU A 8 -4.885 5.910 -1.924 1.00 1.00 C HETATM 108 H DBU A 8 -4.427 3.561 -3.506 1.00 1.00 H HETATM 109 HB DBU A 8 -3.787 7.557 -3.638 1.00 1.00 H HETATM 110 HG1 DBU A 8 -3.065 5.579 -5.720 1.00 1.00 H HETATM 111 HG2 DBU A 8 -1.660 5.818 -4.681 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.362 7.186 -5.543 1.00 1.00 H HETATM 113 N DCY A 9 -5.366 5.010 -1.106 1.00 1.00 N HETATM 114 CA DCY A 9 -6.235 5.613 -0.083 1.00 1.00 C HETATM 115 C DCY A 9 -6.156 4.935 1.270 1.00 1.00 C HETATM 116 O DCY A 9 -6.134 5.643 2.278 1.00 1.00 O HETATM 117 CB DCY A 9 -5.854 7.088 0.038 1.00 1.00 C HETATM 118 SG DCY A 9 -5.359 7.549 -1.626 1.00 1.00 S HETATM 119 HA DCY A 9 -7.255 5.561 -0.430 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.709 7.670 0.369 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.021 7.214 0.705 1.00 1.00 H HETATM 122 N TS9 A 10 -6.116 3.605 1.314 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.234 2.885 2.580 1.00 1.00 C HETATM 124 C TS9 A 10 -4.933 2.997 3.378 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.632 1.387 2.346 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.548 0.708 1.739 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.981 0.721 3.642 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.859 1.375 1.368 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.818 2.288 1.918 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.527 0.020 1.167 1.00 1.00 C HETATM 131 H TS9 A 10 -6.003 3.098 0.481 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.023 3.364 3.143 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -5.022 0.275 2.415 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.138 -0.333 3.476 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.885 1.161 4.038 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -6.177 0.857 4.348 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.547 1.741 0.401 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.493 2.477 1.262 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.102 0.034 0.254 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.181 -0.184 2.001 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.772 -0.750 1.107 1.00 1.00 H HETATM 142 N BB9 A 11 -3.788 2.494 3.032 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.829 2.762 3.951 1.00 1.00 C HETATM 144 C BB9 A 11 -1.449 2.330 3.836 1.00 1.00 C HETATM 145 O BB9 A 11 -0.581 2.575 4.674 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.284 3.523 5.071 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.922 3.845 4.873 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.676 3.838 5.907 1.00 1.00 H ATOM 149 N THR A 12 -1.197 1.633 2.730 1.00 1.00 N ATOM 150 CA THR A 12 0.150 1.139 2.444 1.00 1.00 C ATOM 151 C THR A 12 0.761 1.873 1.262 1.00 1.00 C ATOM 152 CB THR A 12 0.177 -0.380 2.196 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.913 -0.785 1.273 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.025 -1.140 3.488 1.00 1.00 C ATOM 155 H THR A 12 -1.923 1.447 2.099 1.00 1.00 H ATOM 156 HA THR A 12 0.756 1.333 3.315 1.00 1.00 H ATOM 157 HB THR A 12 1.137 -0.655 1.782 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.744 -0.621 4.104 1.00 1.00 H ATOM 159 HG22 THR A 12 0.920 -1.205 4.007 1.00 1.00 H ATOM 160 HG23 THR A 12 -0.386 -2.133 3.269 1.00 1.00 H HETATM 161 N BB9 A 13 1.892 1.568 0.733 1.00 1.00 N HETATM 162 CA BB9 A 13 2.199 2.372 -0.297 1.00 1.00 C HETATM 163 C BB9 A 13 3.487 2.149 -1.027 1.00 1.00 C HETATM 164 CB BB9 A 13 1.217 3.375 -0.574 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.046 3.202 0.529 1.00 1.00 S HETATM 166 HB BB9 A 13 1.274 4.117 -1.358 1.00 1.00 H HETATM 167 HC BB9 A 13 3.520 2.828 -1.868 1.00 1.00 H HETATM 168 N MH6 A 14 4.524 2.526 -0.050 1.00 1.00 N HETATM 169 CA MH6 A 14 5.690 1.985 -0.117 1.00 1.00 C HETATM 170 C MH6 A 14 6.660 2.431 0.904 1.00 1.00 C HETATM 171 CB MH6 A 14 6.158 0.980 -1.083 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.367 0.060 -0.562 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.066 1.330 -1.556 1.00 1.00 H HETATM 174 N BB9 A 15 7.879 2.009 0.966 1.00 1.00 N HETATM 175 CA BB9 A 15 8.552 2.577 1.992 1.00 1.00 C HETATM 176 C BB9 A 15 9.940 2.285 2.290 1.00 1.00 C HETATM 177 O BB9 A 15 10.569 2.785 3.222 1.00 1.00 O HETATM 178 CB BB9 A 15 7.777 3.501 2.764 1.00 1.00 C HETATM 179 SG BB9 A 15 6.225 3.574 2.112 1.00 1.00 S HETATM 180 HB BB9 A 15 8.129 4.056 3.621 1.00 1.00 H HETATM 181 N DHA A 16 10.467 1.405 1.437 1.00 1.00 N HETATM 182 CA DHA A 16 11.860 0.923 1.423 1.00 1.00 C HETATM 183 CB DHA A 16 12.832 1.327 2.229 1.00 1.00 C HETATM 184 C DHA A 16 12.099 -0.085 0.403 1.00 1.00 C HETATM 185 O DHA A 16 11.142 -0.405 -0.301 1.00 1.00 O HETATM 186 H DHA A 16 9.863 1.044 0.756 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.638 2.076 2.980 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.822 0.907 2.134 1.00 1.00 H HETATM 189 N DHA A 17 13.324 -0.604 0.260 1.00 1.00 N HETATM 190 CA DHA A 17 13.726 -1.642 -0.706 1.00 1.00 C HETATM 191 CB DHA A 17 12.908 -2.337 -1.484 1.00 1.00 C HETATM 192 C DHA A 17 15.163 -1.853 -0.747 1.00 1.00 C HETATM 193 O DHA A 17 15.861 -1.168 0.002 1.00 1.00 O HETATM 194 H DHA A 17 14.020 -0.246 0.850 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.843 -2.168 -1.443 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.308 -3.077 -2.162 1.00 1.00 H HETATM 197 N NH2 A 18 15.671 -2.758 -1.577 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.641 -2.896 -1.602 1.00 1.00 H HETATM 199 HN2 NH2 A 18 15.070 -3.274 -2.153 1.00 1.00 H TER 200 NH2 A 18