HETATM 1 O12 QUA A 0 0.561 -1.204 -0.444 1.00 1.00 O HETATM 2 C11 QUA A 0 -0.582 -1.194 0.015 1.00 1.00 C HETATM 3 C2 QUA A 0 -1.777 -1.647 -0.766 1.00 1.00 C HETATM 4 N1 QUA A 0 -3.007 -1.619 -0.185 1.00 1.00 N HETATM 5 C3 QUA A 0 -1.554 -2.080 -2.067 1.00 1.00 C HETATM 6 C9 QUA A 0 -4.045 -2.043 -0.956 1.00 1.00 C HETATM 7 C4 QUA A 0 -2.637 -2.508 -2.834 1.00 1.00 C HETATM 8 C8 QUA A 0 -5.415 -2.003 -0.288 1.00 1.00 C HETATM 9 C10 QUA A 0 -3.918 -2.489 -2.262 1.00 1.00 C HETATM 10 O16 QUA A 0 -6.013 -0.714 -0.470 1.00 1.00 O HETATM 11 C7 QUA A 0 -6.367 -3.092 -0.861 1.00 1.00 C HETATM 12 C13 QUA A 0 -2.412 -2.989 -4.266 1.00 1.00 C HETATM 13 O15 QUA A 0 -1.193 -2.459 -4.802 1.00 1.00 O HETATM 14 C5 QUA A 0 -5.119 -2.919 -2.995 1.00 1.00 C HETATM 15 C14 QUA A 0 -2.356 -4.509 -4.302 1.00 1.00 C HETATM 16 C6 QUA A 0 -6.231 -3.192 -2.383 1.00 1.00 C HETATM 17 HC3 QUA A 0 -0.555 -2.082 -2.479 1.00 1.00 H HETATM 18 HC8 QUA A 0 -5.301 -2.179 0.772 1.00 1.00 H HETATM 19 H16 QUA A 0 -5.374 -0.031 -0.259 1.00 1.00 H HETATM 20 HC71 QUA A 0 -7.383 -2.837 -0.604 1.00 1.00 H HETATM 21 H13 QUA A 0 -3.230 -2.665 -4.889 1.00 1.00 H HETATM 22 H15 QUA A 0 -1.392 -1.883 -5.545 1.00 1.00 H HETATM 23 HC5 QUA A 0 -5.079 -3.006 -4.069 1.00 1.00 H HETATM 24 H141 QUA A 0 -2.178 -4.840 -5.314 1.00 1.00 H HETATM 25 H142 QUA A 0 -3.296 -4.913 -3.952 1.00 1.00 H HETATM 26 H143 QUA A 0 -1.556 -4.855 -3.664 1.00 1.00 H HETATM 27 HC6 QUA A 0 -7.087 -3.501 -2.966 1.00 1.00 H ATOM 28 N ILE A 1 -6.063 -4.452 -0.323 1.00 1.00 N ATOM 29 CA ILE A 1 -6.387 -4.607 1.126 1.00 1.00 C ATOM 30 C ILE A 1 -5.127 -4.784 1.953 1.00 1.00 C ATOM 31 O ILE A 1 -5.140 -4.598 3.170 1.00 1.00 O ATOM 32 CB ILE A 1 -7.324 -5.809 1.370 1.00 1.00 C ATOM 33 CG1 ILE A 1 -6.832 -7.039 0.599 1.00 1.00 C ATOM 34 CG2 ILE A 1 -8.749 -5.456 0.966 1.00 1.00 C ATOM 35 CD1 ILE A 1 -7.498 -8.331 1.021 1.00 1.00 C ATOM 36 H ILE A 1 -5.115 -4.651 -0.465 1.00 1.00 H ATOM 37 HA ILE A 1 -6.885 -3.716 1.459 1.00 1.00 H ATOM 38 HB ILE A 1 -7.321 -6.031 2.427 1.00 1.00 H ATOM 39 HG12 ILE A 1 -7.026 -6.897 -0.453 1.00 1.00 H ATOM 40 HG13 ILE A 1 -5.768 -7.151 0.751 1.00 1.00 H ATOM 41 HG21 ILE A 1 -9.058 -4.560 1.484 1.00 1.00 H ATOM 42 HG22 ILE A 1 -9.411 -6.268 1.229 1.00 1.00 H ATOM 43 HG23 ILE A 1 -8.790 -5.288 -0.099 1.00 1.00 H ATOM 44 HD11 ILE A 1 -7.076 -9.153 0.462 1.00 1.00 H ATOM 45 HD12 ILE A 1 -8.559 -8.271 0.825 1.00 1.00 H ATOM 46 HD13 ILE A 1 -7.335 -8.491 2.076 1.00 1.00 H ATOM 47 N ALA A 2 -4.038 -5.142 1.285 1.00 1.00 N ATOM 48 CA ALA A 2 -2.787 -5.429 1.968 1.00 1.00 C ATOM 49 C ALA A 2 -1.638 -5.557 0.973 1.00 1.00 C ATOM 50 O ALA A 2 -1.710 -6.341 0.027 1.00 1.00 O ATOM 51 CB ALA A 2 -2.934 -6.695 2.792 1.00 1.00 C ATOM 52 H ALA A 2 -4.077 -5.212 0.307 1.00 1.00 H ATOM 53 HA ALA A 2 -2.578 -4.610 2.641 1.00 1.00 H ATOM 54 HB1 ALA A 2 -2.092 -6.792 3.459 1.00 1.00 H ATOM 55 HB2 ALA A 2 -2.978 -7.548 2.134 1.00 1.00 H ATOM 56 HB3 ALA A 2 -3.847 -6.636 3.368 1.00 1.00 H HETATM 57 N DHA A 3 -0.578 -4.783 1.212 1.00 1.00 N HETATM 58 CA DHA A 3 0.581 -4.589 0.328 1.00 1.00 C HETATM 59 CB DHA A 3 0.742 -5.115 -0.878 1.00 1.00 C HETATM 60 C DHA A 3 1.581 -3.714 0.907 1.00 1.00 C HETATM 61 O DHA A 3 1.354 -3.265 2.028 1.00 1.00 O HETATM 62 H DHA A 3 -0.570 -4.302 2.065 1.00 1.00 H HETATM 63 HB1 DHA A 3 -0.017 -5.752 -1.300 1.00 1.00 H HETATM 64 HB2 DHA A 3 1.634 -4.894 -1.446 1.00 1.00 H ATOM 65 N ALA A 4 2.674 -3.423 0.220 1.00 1.00 N ATOM 66 CA ALA A 4 3.616 -2.409 0.672 1.00 1.00 C ATOM 67 C ALA A 4 4.001 -1.504 -0.490 1.00 1.00 C ATOM 68 O ALA A 4 4.631 -1.957 -1.444 1.00 1.00 O ATOM 69 CB ALA A 4 4.842 -3.067 1.281 1.00 1.00 C ATOM 70 H ALA A 4 2.857 -3.905 -0.615 1.00 1.00 H ATOM 71 HA ALA A 4 3.133 -1.816 1.434 1.00 1.00 H ATOM 72 HB1 ALA A 4 4.535 -3.713 2.091 1.00 1.00 H ATOM 73 HB2 ALA A 4 5.509 -2.306 1.660 1.00 1.00 H ATOM 74 HB3 ALA A 4 5.350 -3.650 0.528 1.00 1.00 H ATOM 75 N SER A 5 3.605 -0.227 -0.405 1.00 1.00 N ATOM 76 CA SER A 5 3.709 0.699 -1.601 1.00 1.00 C ATOM 77 C SER A 5 2.697 0.349 -2.589 1.00 1.00 C ATOM 78 CB SER A 5 5.149 0.716 -2.194 1.00 1.00 C ATOM 79 H SER A 5 3.223 0.099 0.445 1.00 1.00 H ATOM 80 HB2 SER A 5 5.374 -0.238 -2.643 1.00 1.00 H ATOM 81 HB3 SER A 5 5.221 1.491 -2.942 1.00 1.00 H HETATM 82 N BB9 A 6 1.491 0.816 -2.661 1.00 1.00 N HETATM 83 CA BB9 A 6 0.791 0.286 -3.686 1.00 1.00 C HETATM 84 C BB9 A 6 -0.583 0.647 -3.974 1.00 1.00 C HETATM 85 O BB9 A 6 -1.243 0.199 -4.911 1.00 1.00 O HETATM 86 CB BB9 A 6 1.519 -0.665 -4.462 1.00 1.00 C HETATM 87 SG BB9 A 6 3.066 -0.808 -3.812 1.00 1.00 S HETATM 88 HB BB9 A 6 1.141 -1.201 -5.320 1.00 1.00 H ATOM 89 N THR A 7 -1.074 1.521 -3.096 1.00 1.00 N ATOM 90 CA THR A 7 -2.443 2.017 -3.184 1.00 1.00 C ATOM 91 C THR A 7 -2.497 3.523 -2.951 1.00 1.00 C ATOM 92 O THR A 7 -1.496 4.142 -2.586 1.00 1.00 O ATOM 93 CB THR A 7 -3.365 1.313 -2.165 1.00 1.00 C ATOM 94 OG1 THR A 7 -4.709 1.788 -2.307 1.00 1.00 O ATOM 95 CG2 THR A 7 -2.889 1.547 -0.737 1.00 1.00 C ATOM 96 H THR A 7 -0.498 1.840 -2.369 1.00 1.00 H ATOM 97 HA THR A 7 -2.813 1.803 -4.177 1.00 1.00 H ATOM 98 HB THR A 7 -3.345 0.252 -2.365 1.00 1.00 H ATOM 99 HG1 THR A 7 -5.262 1.390 -1.630 1.00 1.00 H ATOM 100 HG21 THR A 7 -3.435 0.899 -0.066 1.00 1.00 H ATOM 101 HG22 THR A 7 -3.066 2.577 -0.462 1.00 1.00 H ATOM 102 HG23 THR A 7 -1.834 1.331 -0.668 1.00 1.00 H HETATM 103 N DBU A 8 -3.672 4.108 -3.163 1.00 1.00 N HETATM 104 CA DBU A 8 -3.951 5.538 -2.995 1.00 1.00 C HETATM 105 CB DBU A 8 -3.419 6.501 -3.744 1.00 1.00 C HETATM 106 CG DBU A 8 -2.434 6.227 -4.891 1.00 1.00 C HETATM 107 C DBU A 8 -4.898 5.872 -1.905 1.00 1.00 C HETATM 108 H DBU A 8 -4.408 3.532 -3.456 1.00 1.00 H HETATM 109 HB DBU A 8 -3.691 7.526 -3.540 1.00 1.00 H HETATM 110 HG1 DBU A 8 -1.549 5.750 -4.497 1.00 1.00 H HETATM 111 HG2 DBU A 8 -2.160 7.158 -5.362 1.00 1.00 H HETATM 112 HG3 DBU A 8 -2.899 5.578 -5.619 1.00 1.00 H HETATM 113 N DCY A 9 -5.396 4.973 -1.097 1.00 1.00 N HETATM 114 CA DCY A 9 -6.317 5.569 -0.117 1.00 1.00 C HETATM 115 C DCY A 9 -6.264 4.918 1.253 1.00 1.00 C HETATM 116 O DCY A 9 -6.357 5.641 2.245 1.00 1.00 O HETATM 117 CB DCY A 9 -5.990 7.057 -0.010 1.00 1.00 C HETATM 118 SG DCY A 9 -5.418 7.505 -1.652 1.00 1.00 S HETATM 119 HA DCY A 9 -7.323 5.477 -0.496 1.00 1.00 H HETATM 120 HB2 DCY A 9 -6.879 7.618 0.263 1.00 1.00 H HETATM 121 HB3 DCY A 9 -5.199 7.224 0.701 1.00 1.00 H HETATM 122 N TS9 A 10 -6.119 3.596 1.326 1.00 1.00 N HETATM 123 CA TS9 A 10 -6.224 2.891 2.603 1.00 1.00 C HETATM 124 C TS9 A 10 -4.913 3.005 3.386 1.00 1.00 C HETATM 125 CB TS9 A 10 -6.635 1.392 2.387 1.00 1.00 C HETATM 126 OG3 TS9 A 10 -5.595 0.720 1.703 1.00 1.00 O HETATM 127 CG2 TS9 A 10 -6.892 0.719 3.701 1.00 1.00 C HETATM 128 CG1 TS9 A 10 -7.927 1.388 1.497 1.00 1.00 C HETATM 129 OD2 TS9 A 10 -8.877 2.228 2.166 1.00 1.00 O HETATM 130 CD1 TS9 A 10 -8.558 0.022 1.256 1.00 1.00 C HETATM 131 H TS9 A 10 -5.937 3.086 0.508 1.00 1.00 H HETATM 132 HA TS9 A 10 -7.005 3.380 3.168 1.00 1.00 H HETATM 133 HG3 TS9 A 10 -4.923 1.352 1.439 1.00 1.00 H HETATM 134 HG21 TS9 A 10 -7.180 -0.308 3.531 1.00 1.00 H HETATM 135 HG22 TS9 A 10 -7.686 1.234 4.221 1.00 1.00 H HETATM 136 HG23 TS9 A 10 -5.996 0.742 4.302 1.00 1.00 H HETATM 137 HG1 TS9 A 10 -7.699 1.824 0.536 1.00 1.00 H HETATM 138 HD2 TS9 A 10 -9.694 2.255 1.662 1.00 1.00 H HETATM 139 HD11 TS9 A 10 -9.289 0.097 0.465 1.00 1.00 H HETATM 140 HD12 TS9 A 10 -9.042 -0.315 2.161 1.00 1.00 H HETATM 141 HD13 TS9 A 10 -7.793 -0.685 0.974 1.00 1.00 H HETATM 142 N BB9 A 11 -3.771 2.506 3.028 1.00 1.00 N HETATM 143 CA BB9 A 11 -2.803 2.777 3.937 1.00 1.00 C HETATM 144 C BB9 A 11 -1.422 2.350 3.809 1.00 1.00 C HETATM 145 O BB9 A 11 -0.543 2.607 4.632 1.00 1.00 O HETATM 146 CB BB9 A 11 -3.249 3.536 5.063 1.00 1.00 C HETATM 147 SG BB9 A 11 -4.890 3.854 4.881 1.00 1.00 S HETATM 148 HB BB9 A 11 -2.633 3.852 5.893 1.00 1.00 H ATOM 149 N THR A 12 -1.183 1.638 2.708 1.00 1.00 N ATOM 150 CA THR A 12 0.159 1.137 2.415 1.00 1.00 C ATOM 151 C THR A 12 0.771 1.873 1.237 1.00 1.00 C ATOM 152 CB THR A 12 0.175 -0.381 2.159 1.00 1.00 C ATOM 153 OG1 THR A 12 -0.918 -0.775 1.236 1.00 1.00 O ATOM 154 CG2 THR A 12 -0.031 -1.147 3.447 1.00 1.00 C ATOM 155 H THR A 12 -1.916 1.448 2.086 1.00 1.00 H ATOM 156 HA THR A 12 0.769 1.320 3.287 1.00 1.00 H ATOM 157 HB THR A 12 1.133 -0.661 1.744 1.00 1.00 H ATOM 158 HG21 THR A 12 -0.389 -2.138 3.223 1.00 1.00 H ATOM 159 HG22 THR A 12 -0.750 -0.630 4.064 1.00 1.00 H ATOM 160 HG23 THR A 12 0.914 -1.214 3.968 1.00 1.00 H HETATM 161 N BB9 A 13 1.903 1.569 0.710 1.00 1.00 N HETATM 162 CA BB9 A 13 2.212 2.377 -0.317 1.00 1.00 C HETATM 163 C BB9 A 13 3.502 2.156 -1.044 1.00 1.00 C HETATM 164 CB BB9 A 13 1.230 3.381 -0.593 1.00 1.00 C HETATM 165 SG BB9 A 13 -0.035 3.205 0.508 1.00 1.00 S HETATM 166 HB BB9 A 13 1.290 4.125 -1.374 1.00 1.00 H HETATM 167 HC BB9 A 13 3.539 2.839 -1.879 1.00 1.00 H HETATM 168 N MH6 A 14 4.529 2.526 -0.059 1.00 1.00 N HETATM 169 CA MH6 A 14 5.696 1.989 -0.122 1.00 1.00 C HETATM 170 C MH6 A 14 6.653 2.432 0.913 1.00 1.00 C HETATM 171 CB MH6 A 14 6.175 0.995 -1.097 1.00 1.00 C HETATM 172 HB2 MH6 A 14 6.387 0.072 -0.583 1.00 1.00 H HETATM 173 HB3 MH6 A 14 7.082 1.356 -1.562 1.00 1.00 H HETATM 174 N BB9 A 15 7.867 1.997 1.006 1.00 1.00 N HETATM 175 CA BB9 A 15 8.523 2.570 2.042 1.00 1.00 C HETATM 176 C BB9 A 15 9.899 2.267 2.379 1.00 1.00 C HETATM 177 O BB9 A 15 10.512 2.781 3.314 1.00 1.00 O HETATM 178 CB BB9 A 15 7.740 3.510 2.786 1.00 1.00 C HETATM 179 SG BB9 A 15 6.204 3.593 2.099 1.00 1.00 S HETATM 180 HB BB9 A 15 8.078 4.071 3.645 1.00 1.00 H HETATM 181 N DHA A 16 10.435 1.352 1.567 1.00 1.00 N HETATM 182 CA DHA A 16 11.817 0.840 1.618 1.00 1.00 C HETATM 183 CB DHA A 16 12.787 1.298 2.397 1.00 1.00 C HETATM 184 C DHA A 16 12.048 -0.264 0.699 1.00 1.00 C HETATM 185 O DHA A 16 11.093 -0.628 0.014 1.00 1.00 O HETATM 186 H DHA A 16 9.844 0.981 0.879 1.00 1.00 H HETATM 187 HB1 DHA A 16 12.599 2.116 3.073 1.00 1.00 H HETATM 188 HB2 DHA A 16 13.768 0.849 2.357 1.00 1.00 H HETATM 189 N DHA A 17 13.258 -0.829 0.640 1.00 1.00 N HETATM 190 CA DHA A 17 13.659 -1.954 -0.226 1.00 1.00 C HETATM 191 CB DHA A 17 12.881 -2.582 -1.096 1.00 1.00 C HETATM 192 C DHA A 17 15.048 -2.344 -0.041 1.00 1.00 C HETATM 193 O DHA A 17 15.709 -1.716 0.786 1.00 1.00 O HETATM 194 H DHA A 17 13.944 -0.455 1.231 1.00 1.00 H HETATM 195 HB1 DHA A 17 11.853 -2.282 -1.222 1.00 1.00 H HETATM 196 HB2 DHA A 17 13.277 -3.398 -1.681 1.00 1.00 H HETATM 197 N NH2 A 18 15.550 -3.346 -0.753 1.00 1.00 N HETATM 198 HN1 NH2 A 18 16.487 -3.605 -0.625 1.00 1.00 H HETATM 199 HN2 NH2 A 18 14.979 -3.812 -1.398 1.00 1.00 H TER 200 NH2 A 18