USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.771 (180deg=-0.771) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -1.78 (180deg=-2.13!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -12.249 -5.189 -10.361 1.00 0.00 C HETATM 2 C4' XTY A 1 -13.130 -5.966 -9.380 1.00 0.00 C HETATM 3 O4' XTY A 1 -13.690 -7.119 -10.042 1.00 0.00 O HETATM 4 C3' XTY A 1 -12.402 -6.520 -8.149 1.00 0.00 C HETATM 5 C2' XTY A 1 -12.285 -8.014 -8.423 1.00 0.00 C HETATM 6 C1' XTY A 1 -13.548 -8.281 -9.217 1.00 0.00 C HETATM 7 O5' XTY A 1 -10.867 -5.254 -9.998 1.00 0.00 O HETATM 8 C2 XTY A 1 -10.910 -8.193 -12.451 1.00 0.00 C HETATM 9 O2 XTY A 1 -10.291 -7.166 -12.717 1.00 0.00 O HETATM 10 N3 XTY A 1 -10.744 -9.343 -13.200 1.00 0.00 N HETATM 11 C4 XTY A 1 -11.400 -10.532 -12.964 1.00 0.00 C HETATM 12 O4 XTY A 1 -11.182 -11.512 -13.669 1.00 0.00 O HETATM 13 C5 XTY A 1 -12.296 -10.579 -11.892 1.00 0.00 C HETATM 14 C6 XTY A 1 -12.484 -9.415 -11.107 1.00 0.00 C HETATM 15 N XTY A 1 -11.799 -8.237 -11.383 1.00 0.00 N HETATM 16 CP XTY A 1 -13.001 -11.768 -11.598 1.00 0.00 C HETATM 17 CD XTY A 1 -14.074 -10.628 -9.740 1.00 0.00 C HETATM 18 C8 XTY A 1 -13.381 -9.431 -10.017 1.00 0.00 C HETATM 19 C7 XTY A 1 -13.888 -11.784 -10.521 1.00 0.00 C HETATM 20 C7A XTY A 1 -14.659 -13.058 -10.187 1.00 0.00 C HETATM 21 O3' XTY A 1 -13.292 -6.378 -7.034 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -15.275 -13.345 -11.039 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -13.956 -13.860 -9.961 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -15.297 -12.881 -9.322 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -12.381 -5.591 -11.365 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -12.569 -4.147 -10.391 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -11.386 -8.257 -8.990 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -12.249 -8.597 -7.503 1.00 0.00 H new HETATM 0 HP XTY A 1 -12.854 -12.661 -12.205 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -10.090 -9.309 -13.982 1.00 0.00 H new HETATM 0 HN XTY A 1 -11.948 -7.410 -10.805 1.00 0.00 H new HETATM 0 HD XTY A 1 -14.770 -10.658 -8.902 1.00 0.00 H new HETATM 0 H4' XTY A 1 -13.869 -5.237 -9.048 1.00 0.00 H new HETATM 0 H3' XTY A 1 -11.447 -6.032 -7.957 1.00 0.00 H new HETATM 0 H1' XTY A 1 -14.418 -8.457 -8.585 1.00 0.00 H new ATOM 37 P DG A 2 -12.919 -5.431 -5.781 1.00 0.00 P ATOM 38 OP1 DG A 2 -11.933 -4.425 -6.234 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.181 -4.991 -5.147 1.00 0.00 O ATOM 40 O5' DG A 2 -12.176 -6.441 -4.764 1.00 0.00 O ATOM 41 C5' DG A 2 -12.478 -7.841 -4.766 1.00 0.00 C ATOM 42 C4' DG A 2 -11.416 -8.653 -4.029 1.00 0.00 C ATOM 43 O4' DG A 2 -10.331 -8.918 -4.930 1.00 0.00 O ATOM 44 C3' DG A 2 -10.783 -7.945 -2.835 1.00 0.00 C ATOM 45 O3' DG A 2 -10.382 -8.962 -1.911 1.00 0.00 O ATOM 46 C2' DG A 2 -9.515 -7.323 -3.394 1.00 0.00 C ATOM 47 C1' DG A 2 -9.109 -8.321 -4.473 1.00 0.00 C ATOM 48 N9 DG A 2 -8.436 -7.674 -5.621 1.00 0.00 N ATOM 49 C8 DG A 2 -8.376 -6.339 -5.944 1.00 0.00 C ATOM 50 N7 DG A 2 -7.675 -6.088 -7.011 1.00 0.00 N ATOM 51 C5 DG A 2 -7.239 -7.337 -7.431 1.00 0.00 C ATOM 52 C6 DG A 2 -6.432 -7.690 -8.545 1.00 0.00 C ATOM 53 O6 DG A 2 -5.918 -6.950 -9.378 1.00 0.00 O ATOM 54 N1 DG A 2 -6.226 -9.056 -8.612 1.00 0.00 N ATOM 55 C2 DG A 2 -6.728 -9.977 -7.721 1.00 0.00 C ATOM 56 N2 DG A 2 -6.428 -11.255 -7.944 1.00 0.00 N ATOM 57 N3 DG A 2 -7.485 -9.657 -6.667 1.00 0.00 N ATOM 58 C4 DG A 2 -7.699 -8.320 -6.587 1.00 0.00 C ATOM 0 H5' DG A 2 -12.556 -8.194 -5.794 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.449 -8.004 -4.298 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.936 -9.541 -3.670 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.445 -7.222 -2.358 1.00 0.00 H new ATOM 0 H2' DG A 2 -9.697 -6.331 -3.806 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.745 -7.215 -2.630 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.402 -9.041 -4.061 1.00 0.00 H new ATOM 0 H8 DG A 2 -8.866 -5.570 -5.365 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.658 -9.408 -9.382 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.775 -11.978 -7.314 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.851 -11.511 -8.745 1.00 0.00 H new HETATM 70 P XTY A 3 -10.705 -8.816 -0.337 1.00 0.00 P HETATM 71 OP1 XTY A 3 -11.118 -10.142 0.174 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.588 -7.644 -0.148 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.089 -9.167 -0.140 1.00 0.00 C HETATM 74 C4' XTY A 3 -6.818 -8.560 0.448 1.00 0.00 C HETATM 75 O4' XTY A 3 -5.954 -8.168 -0.627 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.034 -7.295 1.272 1.00 0.00 C HETATM 77 C2' XTY A 3 -6.740 -6.164 0.299 1.00 0.00 C HETATM 78 C1' XTY A 3 -5.641 -6.767 -0.576 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.262 -8.464 0.285 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.682 -8.840 -3.577 1.00 0.00 C HETATM 81 O2 XTY A 3 -3.048 -9.857 -3.307 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.759 -8.368 -4.875 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.449 -7.235 -5.258 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.477 -6.885 -6.436 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.116 -6.512 -4.264 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.055 -6.969 -2.926 1.00 0.00 C HETATM 87 N XTY A 3 -4.346 -8.121 -2.584 1.00 0.00 N HETATM 88 CP XTY A 3 -5.837 -5.343 -4.593 1.00 0.00 C HETATM 89 CD XTY A 3 -6.436 -5.089 -2.251 1.00 0.00 C HETATM 90 C8 XTY A 3 -5.717 -6.265 -1.899 1.00 0.00 C HETATM 91 C7 XTY A 3 -6.493 -4.639 -3.583 1.00 0.00 C HETATM 92 C7A XTY A 3 -7.276 -3.374 -3.925 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.016 -7.269 2.278 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -6.604 -2.638 -4.367 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -8.066 -3.616 -4.635 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -7.718 -2.963 -3.017 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.030 -9.150 -1.228 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.164 -10.213 0.159 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -7.619 -5.889 -0.284 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.403 -5.263 0.812 1.00 0.00 H new HETATM 0 HP XTY A 3 -5.880 -4.995 -5.625 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.272 -8.894 -5.600 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.314 -8.435 -1.614 1.00 0.00 H new HETATM 0 HD XTY A 3 -6.953 -4.526 -1.474 1.00 0.00 H new HETATM 0 H4' XTY A 3 -6.411 -9.333 1.100 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.024 -7.231 1.724 1.00 0.00 H new HETATM 0 H1' XTY A 3 -4.651 -6.541 -0.180 1.00 0.00 H new ATOM 108 P DA A 4 -6.382 -7.587 3.815 1.00 0.00 P ATOM 109 OP1 DA A 4 -6.724 -6.311 4.481 1.00 0.00 O ATOM 110 OP2 DA A 4 -7.341 -8.713 3.840 1.00 0.00 O ATOM 111 O5' DA A 4 -4.979 -8.106 4.412 1.00 0.00 O ATOM 112 C5' DA A 4 -4.394 -9.329 3.952 1.00 0.00 C ATOM 113 C4' DA A 4 -2.871 -9.283 4.026 1.00 0.00 C ATOM 114 O4' DA A 4 -2.371 -8.697 2.814 1.00 0.00 O ATOM 115 C3' DA A 4 -2.314 -8.418 5.159 1.00 0.00 C ATOM 116 O3' DA A 4 -1.077 -9.007 5.576 1.00 0.00 O ATOM 117 C2' DA A 4 -1.973 -7.096 4.492 1.00 0.00 C ATOM 118 C1' DA A 4 -1.583 -7.534 3.086 1.00 0.00 C ATOM 119 N9 DA A 4 -1.889 -6.500 2.075 1.00 0.00 N ATOM 120 C8 DA A 4 -2.845 -5.515 2.120 1.00 0.00 C ATOM 121 N7 DA A 4 -2.829 -4.724 1.088 1.00 0.00 N ATOM 122 C5 DA A 4 -1.795 -5.219 0.305 1.00 0.00 C ATOM 123 C6 DA A 4 -1.268 -4.814 -0.927 1.00 0.00 C ATOM 124 N6 DA A 4 -1.701 -3.748 -1.593 1.00 0.00 N ATOM 125 N1 DA A 4 -0.247 -5.520 -1.435 1.00 0.00 N ATOM 126 C2 DA A 4 0.219 -6.557 -0.753 1.00 0.00 C ATOM 127 N3 DA A 4 -0.184 -7.037 0.416 1.00 0.00 N ATOM 128 C4 DA A 4 -1.214 -6.304 0.892 1.00 0.00 C ATOM 0 H5' DA A 4 -4.704 -9.518 2.924 1.00 0.00 H new ATOM 0 H5'' DA A 4 -4.764 -10.159 4.554 1.00 0.00 H new ATOM 0 H4' DA A 4 -2.558 -10.314 4.192 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.000 -8.317 6.000 1.00 0.00 H new ATOM 0 H2' DA A 4 -2.823 -6.413 4.484 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.156 -6.583 5.000 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.510 -7.718 3.034 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.544 -5.407 2.936 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.279 -3.500 -2.488 1.00 0.00 H new ATOM 0 H62 DA A 4 -2.455 -3.178 -1.209 1.00 0.00 H new ATOM 0 H2 DA A 4 1.041 -7.084 -1.213 1.00 0.00 H new HETATM 140 P XCS A 5 -0.513 -8.755 7.066 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.418 -7.805 7.753 1.00 0.00 O HETATM 142 C6 XCS A 5 0.570 -3.530 3.380 1.00 0.00 C HETATM 143 C2 XCS A 5 1.347 -3.692 1.114 1.00 0.00 C HETATM 144 O2 XCS A 5 2.204 -4.066 0.316 1.00 0.00 O HETATM 145 N3 XCS A 5 0.229 -3.020 0.688 1.00 0.00 N HETATM 146 C4 XCS A 5 -0.710 -2.601 1.551 1.00 0.00 C HETATM 147 N4 XCS A 5 -1.767 -1.957 1.057 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.572 -2.844 2.949 1.00 0.00 C HETATM 149 OP1 XCS A 5 -0.223 -10.070 7.679 1.00 0.00 O HETATM 150 O5' XCS A 5 0.889 -8.003 6.801 1.00 0.00 O HETATM 151 C5' XCS A 5 1.458 -7.939 5.487 1.00 0.00 C HETATM 152 C4' XCS A 5 2.465 -6.797 5.361 1.00 0.00 C HETATM 153 O4' XCS A 5 1.920 -5.786 4.498 1.00 0.00 O HETATM 154 C1' XCS A 5 1.945 -4.498 5.127 1.00 0.00 C HETATM 155 ND XCS A 5 1.522 -3.952 2.475 1.00 0.00 N HETATM 156 CP XCS A 5 -1.550 -2.407 3.866 1.00 0.00 C HETATM 157 CD XCS A 5 -0.222 -3.357 5.667 1.00 0.00 C HETATM 158 C8 XCS A 5 0.771 -3.803 4.748 1.00 0.00 C HETATM 159 C7 XCS A 5 -1.368 -2.668 5.224 1.00 0.00 C HETATM 160 C7A XCS A 5 -2.415 -2.203 6.232 1.00 0.00 C HETATM 161 C2' XCS A 5 1.945 -4.819 6.621 1.00 0.00 C HETATM 162 C3' XCS A 5 2.789 -6.081 6.673 1.00 0.00 C HETATM 163 O3' XCS A 5 4.160 -5.679 6.620 1.00 0.00 O HETATM 0 HN42 XCS A 5 -2.500 -1.624 1.683 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -1.843 -1.797 0.053 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -2.513 -1.119 6.181 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -3.374 -2.665 5.999 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -2.107 -2.493 7.237 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.950 -8.884 5.257 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.664 -7.806 4.753 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.380 -4.013 7.212 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.938 -4.986 7.002 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.435 -1.873 3.519 1.00 0.00 H new HETATM 0 HND XCS A 5 2.350 -4.452 2.799 1.00 0.00 H new HETATM 0 HD XCS A 5 -0.093 -3.552 6.732 1.00 0.00 H new HETATM 0 H4' XCS A 5 3.376 -7.265 4.987 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.607 -6.693 7.556 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.797 -3.876 4.854 1.00 0.00 H new HETATM 179 P XGA A 6 5.070 -5.723 7.951 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.566 -7.106 8.126 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.321 -5.065 9.044 1.00 0.00 O HETATM 182 C5' XGA A 6 7.110 -5.061 6.403 1.00 0.00 C HETATM 183 O5' XGA A 6 6.319 -4.784 7.563 1.00 0.00 O HETATM 184 C4' XGA A 6 7.818 -3.809 5.894 1.00 0.00 C HETATM 185 O4' XGA A 6 6.932 -3.107 5.010 1.00 0.00 O HETATM 186 C3' XGA A 6 8.193 -2.799 6.972 1.00 0.00 C HETATM 187 C2' XGA A 6 7.031 -1.820 6.983 1.00 0.00 C HETATM 188 C1' XGA A 6 6.611 -1.806 5.516 1.00 0.00 C HETATM 189 N9 XGA A 6 5.196 -1.537 5.310 1.00 0.00 N HETATM 190 C8 XGA A 6 4.182 -1.732 6.217 1.00 0.00 C HETATM 191 N7 XGA A 6 3.011 -1.401 5.725 1.00 0.00 N HETATM 192 C4 XGA A 6 4.268 -0.191 1.922 1.00 0.00 C HETATM 193 C5 XGA A 6 2.889 -0.110 2.199 1.00 0.00 C HETATM 194 N3 XGA A 6 4.783 0.171 0.740 1.00 0.00 N HETATM 195 C2 XGA A 6 3.918 0.622 -0.197 1.00 0.00 C HETATM 196 N2 XGA A 6 4.420 0.986 -1.400 1.00 0.00 N HETATM 197 N1 XGA A 6 2.585 0.731 -0.012 1.00 0.00 N HETATM 198 C6 XGA A 6 2.035 0.362 1.203 1.00 0.00 C HETATM 199 O6 XGA A 6 0.822 0.442 1.382 1.00 0.00 O HETATM 200 C10 XGA A 6 4.627 -1.044 4.154 1.00 0.00 C HETATM 201 C11 XGA A 6 3.266 -0.974 4.450 1.00 0.00 C HETATM 202 CP XGA A 6 2.382 -0.502 3.468 1.00 0.00 C HETATM 203 CD XGA A 6 5.143 -0.659 2.902 1.00 0.00 C HETATM 204 O3' XGA A 6 9.340 -2.086 6.494 1.00 0.00 O HETATM 0 HN22 XGA A 6 3.796 1.331 -2.130 1.00 0.00 H new HETATM 0 HN21 XGA A 6 5.422 0.916 -1.577 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.849 -5.827 6.640 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 6.473 -5.465 5.616 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 6.224 -2.153 7.635 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.334 -0.832 7.330 1.00 0.00 H new HETATM 0 HP XGA A 6 1.314 -0.436 3.677 1.00 0.00 H new HETATM 0 HN1 XGA A 6 1.989 1.082 -0.761 1.00 0.00 H new HETATM 0 HD XGA A 6 6.212 -0.726 2.701 1.00 0.00 H new HETATM 0 H8 XGA A 6 4.332 -2.116 7.226 1.00 0.00 H new HETATM 0 H4' XGA A 6 8.734 -4.172 5.428 1.00 0.00 H new HETATM 0 H3' XGA A 6 8.391 -3.250 7.944 1.00 0.00 H new HETATM 0 H1' XGA A 6 7.132 -0.999 5.002 1.00 0.00 H new ATOM 218 P DC A 7 10.370 -1.386 7.519 1.00 0.00 P ATOM 219 OP1 DC A 7 11.674 -2.077 7.408 1.00 0.00 O ATOM 220 OP2 DC A 7 9.707 -1.268 8.838 1.00 0.00 O ATOM 221 O5' DC A 7 10.532 0.096 6.903 1.00 0.00 O ATOM 222 C5' DC A 7 9.766 0.500 5.762 1.00 0.00 C ATOM 223 C4' DC A 7 10.103 1.923 5.324 1.00 0.00 C ATOM 224 O4' DC A 7 8.891 2.577 4.916 1.00 0.00 O ATOM 225 C3' DC A 7 10.679 2.817 6.417 1.00 0.00 C ATOM 226 O3' DC A 7 11.415 3.857 5.764 1.00 0.00 O ATOM 227 C2' DC A 7 9.446 3.458 7.032 1.00 0.00 C ATOM 228 C1' DC A 7 8.562 3.659 5.799 1.00 0.00 C ATOM 229 N1 DC A 7 7.100 3.615 6.075 1.00 0.00 N ATOM 230 C2 DC A 7 6.262 4.188 5.125 1.00 0.00 C ATOM 231 O2 DC A 7 6.733 4.714 4.117 1.00 0.00 O ATOM 232 N3 DC A 7 4.917 4.154 5.329 1.00 0.00 N ATOM 233 C4 DC A 7 4.405 3.581 6.425 1.00 0.00 C ATOM 234 N4 DC A 7 3.081 3.574 6.565 1.00 0.00 N ATOM 235 C5 DC A 7 5.254 2.990 7.410 1.00 0.00 C ATOM 236 C6 DC A 7 6.582 3.026 7.202 1.00 0.00 C ATOM 0 H5' DC A 7 8.704 0.435 5.997 1.00 0.00 H new ATOM 0 H5'' DC A 7 9.953 -0.188 4.937 1.00 0.00 H new ATOM 0 H4' DC A 7 10.851 1.804 4.540 1.00 0.00 H new ATOM 0 H3' DC A 7 11.310 2.292 7.135 1.00 0.00 H new ATOM 0 H2' DC A 7 8.975 2.813 7.774 1.00 0.00 H new ATOM 0 H2'' DC A 7 9.678 4.400 7.529 1.00 0.00 H new ATOM 0 H1' DC A 7 8.752 4.652 5.391 1.00 0.00 H new ATOM 0 H41 DC A 7 2.657 3.146 7.388 1.00 0.00 H new ATOM 0 H42 DC A 7 2.490 3.997 5.849 1.00 0.00 H new ATOM 0 H5 DC A 7 4.842 2.528 8.295 1.00 0.00 H new ATOM 0 H6 DC A 7 7.249 2.587 7.929 1.00 0.00 H new HETATM 248 P XAE A 8 12.638 4.597 6.508 1.00 0.00 P HETATM 249 OP1 XAE A 8 13.883 3.859 6.197 1.00 0.00 O HETATM 250 OP2 XAE A 8 12.252 4.831 7.917 1.00 0.00 O HETATM 251 C5' XAE A 8 12.305 6.141 4.385 1.00 0.00 C HETATM 252 C4' XAE A 8 11.723 7.519 4.079 1.00 0.00 C HETATM 253 O4' XAE A 8 10.321 7.508 4.387 1.00 0.00 O HETATM 254 C3' XAE A 8 12.301 8.664 4.907 1.00 0.00 C HETATM 255 C2' XAE A 8 11.343 8.775 6.082 1.00 0.00 C HETATM 256 C1' XAE A 8 10.010 8.461 5.413 1.00 0.00 C HETATM 257 O5' XAE A 8 12.696 6.022 5.758 1.00 0.00 O HETATM 258 N9 XAE A 8 9.014 7.907 6.315 1.00 0.00 N HETATM 259 C8 XAE A 8 9.252 7.110 7.408 1.00 0.00 C HETATM 260 N7 XAE A 8 8.141 6.758 8.011 1.00 0.00 N HETATM 261 C5 XAE A 8 4.902 8.012 6.585 1.00 0.00 C HETATM 262 C4 XAE A 8 5.435 8.746 5.506 1.00 0.00 C HETATM 263 C6 XAE A 8 3.483 8.004 6.736 1.00 0.00 C HETATM 264 N6 XAE A 8 2.882 7.345 7.726 1.00 0.00 N HETATM 265 N1 XAE A 8 2.728 8.682 5.865 1.00 0.00 N HETATM 266 C2 XAE A 8 3.347 9.342 4.884 1.00 0.00 C HETATM 267 N3 XAE A 8 4.658 9.438 4.618 1.00 0.00 N HETATM 268 C10 XAE A 8 7.648 8.078 6.216 1.00 0.00 C HETATM 269 C11 XAE A 8 7.139 7.347 7.289 1.00 0.00 C HETATM 270 CP XAE A 8 5.749 7.308 7.482 1.00 0.00 C HETATM 271 CD XAE A 8 6.817 8.779 5.320 1.00 0.00 C HETATM 272 O3' XAE A 8 12.146 9.853 4.126 1.00 0.00 O HETATM 0 HN62 XAE A 8 1.865 7.360 7.805 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.439 6.826 8.405 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 11.567 5.374 4.149 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.168 5.960 3.744 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.582 8.066 6.875 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.354 9.769 6.529 1.00 0.00 H new HETATM 0 HP XAE A 8 5.324 6.743 8.312 1.00 0.00 H new HETATM 0 HD XAE A 8 7.249 9.340 4.491 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.246 6.806 7.736 1.00 0.00 H new HETATM 0 H4' XAE A 8 11.961 7.695 3.030 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.341 8.521 5.200 1.00 0.00 H new HETATM 0 H2 XAE A 8 2.692 9.881 4.200 1.00 0.00 H new HETATM 0 H1' XAE A 8 9.565 9.382 5.036 1.00 0.00 H new HETATM 286 P XGA A 9 13.230 11.044 4.198 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.328 10.727 3.258 1.00 0.00 O HETATM 288 OP2 XGA A 9 13.530 11.315 5.622 1.00 0.00 O HETATM 289 C5' XGA A 9 11.464 12.109 2.547 1.00 0.00 C HETATM 290 O5' XGA A 9 12.405 12.296 3.609 1.00 0.00 O HETATM 291 C4' XGA A 9 10.310 13.105 2.630 1.00 0.00 C HETATM 292 O4' XGA A 9 9.299 12.569 3.499 1.00 0.00 O HETATM 293 C3' XGA A 9 10.672 14.465 3.229 1.00 0.00 C HETATM 294 C2' XGA A 9 10.253 14.346 4.685 1.00 0.00 C HETATM 295 C1' XGA A 9 9.011 13.476 4.569 1.00 0.00 C HETATM 296 N9 XGA A 9 8.698 12.737 5.780 1.00 0.00 N HETATM 297 C8 XGA A 9 9.596 12.112 6.610 1.00 0.00 C HETATM 298 N7 XGA A 9 9.005 11.534 7.628 1.00 0.00 N HETATM 299 C4 XGA A 9 5.055 12.564 6.700 1.00 0.00 C HETATM 300 C5 XGA A 9 5.263 11.802 7.868 1.00 0.00 C HETATM 301 N3 XGA A 9 3.836 12.950 6.304 1.00 0.00 N HETATM 302 C2 XGA A 9 2.790 12.578 7.077 1.00 0.00 C HETATM 303 N2 XGA A 9 1.548 12.957 6.687 1.00 0.00 N HETATM 304 N1 XGA A 9 2.901 11.853 8.208 1.00 0.00 N HETATM 305 C6 XGA A 9 4.151 11.443 8.635 1.00 0.00 C HETATM 306 O6 XGA A 9 4.266 10.770 9.660 1.00 0.00 O HETATM 307 C10 XGA A 9 7.440 12.543 6.310 1.00 0.00 C HETATM 308 C11 XGA A 9 7.669 11.790 7.460 1.00 0.00 C HETATM 309 CP XGA A 9 6.575 11.412 8.254 1.00 0.00 C HETATM 310 CD XGA A 9 6.146 12.937 5.916 1.00 0.00 C HETATM 311 O3' XGA A 9 9.803 15.428 2.623 1.00 0.00 O HETATM 0 HN22 XGA A 9 0.736 12.694 7.245 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.426 13.505 5.835 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 11.971 12.219 1.588 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.071 11.093 2.585 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.025 13.881 5.298 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.035 15.317 5.130 1.00 0.00 H new HETATM 0 HP XGA A 9 6.730 10.824 9.159 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.069 11.609 8.745 1.00 0.00 H new HETATM 0 HD XGA A 9 6.000 13.526 5.010 1.00 0.00 H new HETATM 0 H8 XGA A 9 10.673 12.098 6.442 1.00 0.00 H new HETATM 0 H4' XGA A 9 9.993 13.254 1.598 1.00 0.00 H new HETATM 0 H3' XGA A 9 11.718 14.741 3.095 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.134 14.099 4.391 1.00 0.00 H new ATOM 325 P DT A 10 10.217 16.983 2.538 1.00 0.00 P ATOM 326 OP1 DT A 10 10.625 17.277 1.145 1.00 0.00 O ATOM 327 OP2 DT A 10 11.140 17.283 3.655 1.00 0.00 O ATOM 328 O5' DT A 10 8.820 17.734 2.824 1.00 0.00 O ATOM 329 C5' DT A 10 7.596 17.222 2.284 1.00 0.00 C ATOM 330 C4' DT A 10 6.381 18.008 2.773 1.00 0.00 C ATOM 331 O4' DT A 10 5.739 17.266 3.821 1.00 0.00 O ATOM 332 C3' DT A 10 6.696 19.385 3.372 1.00 0.00 C ATOM 333 O3' DT A 10 5.661 20.318 3.049 1.00 0.00 O ATOM 334 C2' DT A 10 6.714 19.108 4.871 1.00 0.00 C ATOM 335 C1' DT A 10 5.624 18.056 5.005 1.00 0.00 C ATOM 336 N1 DT A 10 5.801 17.177 6.185 1.00 0.00 N ATOM 337 C2 DT A 10 4.677 16.889 6.948 1.00 0.00 C ATOM 338 O2 DT A 10 3.560 17.330 6.681 1.00 0.00 O ATOM 339 N3 DT A 10 4.880 16.063 8.038 1.00 0.00 N ATOM 340 C4 DT A 10 6.082 15.510 8.431 1.00 0.00 C ATOM 341 O4 DT A 10 6.136 14.786 9.423 1.00 0.00 O ATOM 342 C5 DT A 10 7.198 15.861 7.585 1.00 0.00 C ATOM 343 C7 DT A 10 8.588 15.325 7.915 1.00 0.00 C ATOM 344 C6 DT A 10 7.032 16.662 6.513 1.00 0.00 C ATOM 0 H5' DT A 10 7.487 16.174 2.564 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.637 17.258 1.195 1.00 0.00 H new ATOM 0 H4' DT A 10 5.767 18.157 1.885 1.00 0.00 H new ATOM 0 H3' DT A 10 7.625 19.817 3.000 1.00 0.00 H new ATOM 0 H2' DT A 10 7.683 18.738 5.207 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.494 20.002 5.455 1.00 0.00 H new ATOM 0 HO3' DT A 10 5.874 21.191 3.439 1.00 0.00 H new ATOM 0 H1' DT A 10 4.654 18.537 5.133 1.00 0.00 H new ATOM 0 H3 DT A 10 4.063 15.841 8.606 1.00 0.00 H new ATOM 0 H71 DT A 10 9.161 15.209 6.995 1.00 0.00 H new ATOM 0 H72 DT A 10 9.100 16.024 8.576 1.00 0.00 H new ATOM 0 H73 DT A 10 8.497 14.358 8.410 1.00 0.00 H new ATOM 0 H6 DT A 10 7.886 16.904 5.898 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -3.674 11.978 17.487 1.00 0.00 C HETATM 360 C4' XAE B 11 -4.021 12.575 16.126 1.00 0.00 C HETATM 361 O4' XAE B 11 -2.946 13.426 15.700 1.00 0.00 O HETATM 362 C3' XAE B 11 -4.202 11.552 15.008 1.00 0.00 C HETATM 363 C2' XAE B 11 -2.878 11.569 14.256 1.00 0.00 C HETATM 364 C1' XAE B 11 -2.416 13.007 14.436 1.00 0.00 C HETATM 365 O5' XAE B 11 -4.238 10.673 17.650 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.969 13.142 14.446 1.00 0.00 N HETATM 367 C8 XAE B 11 -0.132 12.771 15.468 1.00 0.00 C HETATM 368 N7 XAE B 11 1.125 13.013 15.188 1.00 0.00 N HETATM 369 C5 XAE B 11 1.915 14.555 11.857 1.00 0.00 C HETATM 370 C4 XAE B 11 0.596 14.647 11.364 1.00 0.00 C HETATM 371 C6 XAE B 11 2.965 15.025 11.016 1.00 0.00 C HETATM 372 N6 XAE B 11 4.244 14.986 11.390 1.00 0.00 N HETATM 373 N1 XAE B 11 2.666 15.527 9.815 1.00 0.00 N HETATM 374 C2 XAE B 11 1.383 15.564 9.454 1.00 0.00 C HETATM 375 N3 XAE B 11 0.295 15.162 10.131 1.00 0.00 N HETATM 376 C10 XAE B 11 -0.186 13.662 13.434 1.00 0.00 C HETATM 377 C11 XAE B 11 1.114 13.565 13.934 1.00 0.00 C HETATM 378 CP XAE B 11 2.180 14.014 13.142 1.00 0.00 C HETATM 379 CD XAE B 11 -0.463 14.197 12.159 1.00 0.00 C HETATM 380 O3' XAE B 11 -5.198 12.075 14.125 1.00 0.00 O HETATM 0 HN62 XAE B 11 4.970 15.331 10.762 1.00 0.00 H new HETATM 0 HN61 XAE B 11 4.497 14.611 12.304 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -2.591 11.923 17.595 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -4.040 12.634 18.277 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -2.165 10.858 14.674 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -3.005 11.312 13.204 1.00 0.00 H new HETATM 0 HP XAE B 11 3.204 13.948 13.510 1.00 0.00 H new HETATM 0 HD XAE B 11 -1.489 14.259 11.798 1.00 0.00 H new HETATM 0 H8 XAE B 11 -0.473 12.327 16.403 1.00 0.00 H new HETATM 0 H4' XAE B 11 -4.968 13.093 16.278 1.00 0.00 H new HETATM 0 H3' XAE B 11 -4.478 10.560 15.367 1.00 0.00 H new HETATM 0 H2 XAE B 11 1.189 15.981 8.466 1.00 0.00 H new HETATM 0 H1' XAE B 11 -2.765 13.614 13.601 1.00 0.00 H new ATOM 395 P DC B 12 -6.192 11.087 13.330 1.00 0.00 P ATOM 396 OP1 DC B 12 -6.067 9.730 13.910 1.00 0.00 O ATOM 397 OP2 DC B 12 -7.521 11.735 13.249 1.00 0.00 O ATOM 398 O5' DC B 12 -5.552 11.065 11.855 1.00 0.00 O ATOM 399 C5' DC B 12 -5.122 12.278 11.229 1.00 0.00 C ATOM 400 C4' DC B 12 -4.813 12.072 9.750 1.00 0.00 C ATOM 401 O4' DC B 12 -3.390 12.113 9.560 1.00 0.00 O ATOM 402 C3' DC B 12 -5.263 10.724 9.186 1.00 0.00 C ATOM 403 O3' DC B 12 -5.653 10.947 7.830 1.00 0.00 O ATOM 404 C2' DC B 12 -3.996 9.883 9.155 1.00 0.00 C ATOM 405 C1' DC B 12 -2.926 10.935 8.893 1.00 0.00 C ATOM 406 N1 DC B 12 -1.602 10.563 9.448 1.00 0.00 N ATOM 407 C2 DC B 12 -0.493 10.695 8.620 1.00 0.00 C ATOM 408 O2 DC B 12 -0.619 11.113 7.470 1.00 0.00 O ATOM 409 N3 DC B 12 0.732 10.363 9.113 1.00 0.00 N ATOM 410 C4 DC B 12 0.869 9.919 10.369 1.00 0.00 C ATOM 411 N4 DC B 12 2.098 9.621 10.793 1.00 0.00 N ATOM 412 C5 DC B 12 -0.266 9.780 11.228 1.00 0.00 C ATOM 413 C6 DC B 12 -1.474 10.111 10.732 1.00 0.00 C ATOM 0 H5' DC B 12 -4.234 12.655 11.737 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.897 13.037 11.336 1.00 0.00 H new ATOM 0 H4' DC B 12 -5.357 12.863 9.234 1.00 0.00 H new ATOM 0 H3' DC B 12 -6.072 10.265 9.755 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.831 9.358 10.096 1.00 0.00 H new ATOM 0 H2'' DC B 12 -4.027 9.127 8.370 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.784 11.060 7.820 1.00 0.00 H new ATOM 0 H41 DC B 12 2.241 9.280 11.744 1.00 0.00 H new ATOM 0 H42 DC B 12 2.895 9.734 10.167 1.00 0.00 H new ATOM 0 H5 DC B 12 -0.158 9.421 12.241 1.00 0.00 H new ATOM 0 H6 DC B 12 -2.351 10.018 11.355 1.00 0.00 H new ATOM 425 P DT B 13 -6.869 10.117 7.179 1.00 0.00 P ATOM 426 OP1 DT B 13 -8.116 10.888 7.379 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.782 8.717 7.652 1.00 0.00 O ATOM 428 O5' DT B 13 -6.506 10.141 5.613 1.00 0.00 O ATOM 429 C5' DT B 13 -5.895 11.293 5.022 1.00 0.00 C ATOM 430 C4' DT B 13 -4.986 10.907 3.862 1.00 0.00 C ATOM 431 O4' DT B 13 -3.670 10.631 4.372 1.00 0.00 O ATOM 432 C3' DT B 13 -5.407 9.639 3.118 1.00 0.00 C ATOM 433 O3' DT B 13 -5.031 9.813 1.749 1.00 0.00 O ATOM 434 C2' DT B 13 -4.505 8.559 3.693 1.00 0.00 C ATOM 435 C1' DT B 13 -3.223 9.344 3.942 1.00 0.00 C ATOM 436 N1 DT B 13 -2.357 8.753 4.997 1.00 0.00 N ATOM 437 C2 DT B 13 -0.983 8.865 4.833 1.00 0.00 C ATOM 438 O2 DT B 13 -0.475 9.424 3.862 1.00 0.00 O ATOM 439 N3 DT B 13 -0.203 8.306 5.831 1.00 0.00 N ATOM 440 C4 DT B 13 -0.664 7.655 6.958 1.00 0.00 C ATOM 441 O4 DT B 13 0.128 7.199 7.778 1.00 0.00 O ATOM 442 C5 DT B 13 -2.102 7.582 7.050 1.00 0.00 C ATOM 443 C7 DT B 13 -2.740 6.872 8.243 1.00 0.00 C ATOM 444 C6 DT B 13 -2.890 8.120 6.096 1.00 0.00 C ATOM 0 H5' DT B 13 -5.318 11.828 5.776 1.00 0.00 H new ATOM 0 H5'' DT B 13 -6.668 11.976 4.669 1.00 0.00 H new ATOM 0 H4' DT B 13 -5.033 11.749 3.171 1.00 0.00 H new ATOM 0 H3' DT B 13 -6.470 9.413 3.205 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.910 8.130 4.610 1.00 0.00 H new ATOM 0 H2'' DT B 13 -4.354 7.735 2.996 1.00 0.00 H new ATOM 0 H1' DT B 13 -2.613 9.356 3.039 1.00 0.00 H new ATOM 0 H3 DT B 13 0.808 8.382 5.723 1.00 0.00 H new ATOM 0 H71 DT B 13 -2.078 6.080 8.592 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.904 7.589 9.048 1.00 0.00 H new ATOM 0 H73 DT B 13 -3.695 6.441 7.942 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.963 8.052 6.197 1.00 0.00 H new HETATM 457 P XGA B 14 -6.059 9.452 0.562 1.00 0.00 P HETATM 458 OP1 XGA B 14 -7.036 10.556 0.443 1.00 0.00 O HETATM 459 OP2 XGA B 14 -6.534 8.064 0.766 1.00 0.00 O HETATM 460 C5' XGA B 14 -4.038 10.414 -0.845 1.00 0.00 C HETATM 461 O5' XGA B 14 -5.112 9.472 -0.738 1.00 0.00 O HETATM 462 C4' XGA B 14 -2.876 9.855 -1.662 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.908 9.308 -0.759 1.00 0.00 O HETATM 464 C3' XGA B 14 -3.242 8.709 -2.600 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.990 7.463 -1.765 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.804 7.885 -0.900 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.805 7.273 0.419 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.912 6.915 1.149 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.591 6.416 2.318 1.00 0.00 N HETATM 470 C4 XGA B 14 1.568 6.705 1.990 1.00 0.00 C HETATM 471 C5 XGA B 14 1.050 6.176 3.191 1.00 0.00 C HETATM 472 N3 XGA B 14 2.883 6.843 1.779 1.00 0.00 N HETATM 473 C2 XGA B 14 3.712 6.445 2.774 1.00 0.00 C HETATM 474 N2 XGA B 14 5.045 6.573 2.575 1.00 0.00 N HETATM 475 N1 XGA B 14 3.298 5.929 3.949 1.00 0.00 N HETATM 476 C6 XGA B 14 1.944 5.782 4.187 1.00 0.00 C HETATM 477 O6 XGA B 14 1.547 5.324 5.257 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.693 6.978 1.183 1.00 0.00 C HETATM 479 C11 XGA B 14 -1.225 6.447 2.359 1.00 0.00 C HETATM 480 CP XGA B 14 -0.351 6.041 3.376 1.00 0.00 C HETATM 481 CD XGA B 14 0.693 7.115 0.982 1.00 0.00 C HETATM 482 O3' XGA B 14 -2.283 8.708 -3.661 1.00 0.00 O HETATM 0 HN22 XGA B 14 5.699 6.284 3.302 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.395 6.959 1.698 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -4.402 11.330 -1.310 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -3.687 10.680 0.152 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.858 7.195 -1.162 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.754 6.599 -2.386 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.744 5.624 4.303 1.00 0.00 H new HETATM 0 HN1 XGA B 14 3.978 5.650 4.656 1.00 0.00 H new HETATM 0 HD XGA B 14 1.078 7.535 0.053 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.937 7.032 0.798 1.00 0.00 H new HETATM 0 H4' XGA B 14 -2.521 10.692 -2.263 1.00 0.00 H new HETATM 0 H3' XGA B 14 -4.255 8.774 -2.997 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.879 7.563 -1.378 1.00 0.00 H new ATOM 496 P DC B 15 -2.683 8.167 -5.128 1.00 0.00 P ATOM 497 OP1 DC B 15 -3.017 9.335 -5.974 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.661 7.068 -4.968 1.00 0.00 O ATOM 499 O5' DC B 15 -1.301 7.535 -5.667 1.00 0.00 O ATOM 500 C5' DC B 15 -0.092 7.665 -4.914 1.00 0.00 C ATOM 501 C4' DC B 15 1.010 6.750 -5.442 1.00 0.00 C ATOM 502 O4' DC B 15 1.581 6.029 -4.340 1.00 0.00 O ATOM 503 C3' DC B 15 0.545 5.674 -6.417 1.00 0.00 C ATOM 504 O3' DC B 15 1.678 5.324 -7.219 1.00 0.00 O ATOM 505 C2' DC B 15 0.242 4.483 -5.520 1.00 0.00 C ATOM 506 C1' DC B 15 1.311 4.624 -4.440 1.00 0.00 C ATOM 507 N1 DC B 15 0.857 4.136 -3.120 1.00 0.00 N ATOM 508 C2 DC B 15 1.679 3.244 -2.442 1.00 0.00 C ATOM 509 O2 DC B 15 2.734 2.862 -2.947 1.00 0.00 O ATOM 510 N3 DC B 15 1.290 2.803 -1.214 1.00 0.00 N ATOM 511 C4 DC B 15 0.137 3.220 -0.671 1.00 0.00 C ATOM 512 N4 DC B 15 -0.186 2.758 0.536 1.00 0.00 N ATOM 513 C5 DC B 15 -0.714 4.135 -1.364 1.00 0.00 C ATOM 514 C6 DC B 15 -0.320 4.565 -2.577 1.00 0.00 C ATOM 0 H5' DC B 15 -0.289 7.430 -3.868 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.248 8.700 -4.949 1.00 0.00 H new ATOM 0 H4' DC B 15 1.699 7.416 -5.961 1.00 0.00 H new ATOM 0 H3' DC B 15 -0.295 5.975 -7.043 1.00 0.00 H new ATOM 0 H2' DC B 15 -0.765 4.529 -5.106 1.00 0.00 H new ATOM 0 H2'' DC B 15 0.324 3.537 -6.055 1.00 0.00 H new ATOM 0 H1' DC B 15 2.184 4.030 -4.711 1.00 0.00 H new ATOM 0 H41 DC B 15 -1.056 3.054 0.979 1.00 0.00 H new ATOM 0 H42 DC B 15 0.436 2.108 1.017 1.00 0.00 H new ATOM 0 H5 DC B 15 -1.643 4.471 -0.928 1.00 0.00 H new ATOM 0 H6 DC B 15 -0.941 5.257 -3.127 1.00 0.00 H new ATOM 526 P DG B 16 1.493 4.691 -8.691 1.00 0.00 P ATOM 527 OP1 DG B 16 2.375 5.428 -9.624 1.00 0.00 O ATOM 528 OP2 DG B 16 0.044 4.584 -8.976 1.00 0.00 O ATOM 529 O5' DG B 16 2.082 3.202 -8.511 1.00 0.00 O ATOM 530 C5' DG B 16 2.860 2.861 -7.360 1.00 0.00 C ATOM 531 C4' DG B 16 3.097 1.358 -7.253 1.00 0.00 C ATOM 532 O4' DG B 16 2.650 0.906 -5.967 1.00 0.00 O ATOM 533 C3' DG B 16 2.336 0.507 -8.269 1.00 0.00 C ATOM 534 O3' DG B 16 3.169 -0.614 -8.564 1.00 0.00 O ATOM 535 C2' DG B 16 1.139 -0.028 -7.495 1.00 0.00 C ATOM 536 C1' DG B 16 1.724 -0.176 -6.098 1.00 0.00 C ATOM 537 N9 DG B 16 0.717 -0.068 -5.024 1.00 0.00 N ATOM 538 C8 DG B 16 -0.543 0.476 -5.063 1.00 0.00 C ATOM 539 N7 DG B 16 -1.176 0.413 -3.924 1.00 0.00 N ATOM 540 C5 DG B 16 -0.273 -0.215 -3.073 1.00 0.00 C ATOM 541 C6 DG B 16 -0.401 -0.558 -1.700 1.00 0.00 C ATOM 542 O6 DG B 16 -1.359 -0.373 -0.954 1.00 0.00 O ATOM 543 N1 DG B 16 0.743 -1.179 -1.221 1.00 0.00 N ATOM 544 C2 DG B 16 1.872 -1.441 -1.965 1.00 0.00 C ATOM 545 N2 DG B 16 2.888 -2.044 -1.346 1.00 0.00 N ATOM 546 N3 DG B 16 2.000 -1.122 -3.253 1.00 0.00 N ATOM 547 C4 DG B 16 0.891 -0.514 -3.737 1.00 0.00 C ATOM 0 H5' DG B 16 2.352 3.212 -6.462 1.00 0.00 H new ATOM 0 H5'' DG B 16 3.819 3.377 -7.405 1.00 0.00 H new ATOM 0 H4' DG B 16 4.165 1.232 -7.432 1.00 0.00 H new ATOM 0 H3' DG B 16 2.060 1.049 -9.173 1.00 0.00 H new ATOM 0 H2' DG B 16 0.295 0.662 -7.516 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.784 -0.978 -7.894 1.00 0.00 H new ATOM 0 H1' DG B 16 2.171 -1.165 -5.993 1.00 0.00 H new ATOM 0 H8 DG B 16 -0.970 0.915 -5.953 1.00 0.00 H new ATOM 0 H1 DG B 16 0.749 -1.464 -0.242 1.00 0.00 H new ATOM 0 H21 DG B 16 3.744 -2.257 -1.859 1.00 0.00 H new ATOM 0 H22 DG B 16 2.809 -2.292 -0.360 1.00 0.00 H new HETATM 559 P XTY B 17 3.882 -0.763 -9.999 1.00 0.00 P HETATM 560 OP1 XTY B 17 2.962 -0.238 -11.033 1.00 0.00 O HETATM 561 OP2 XTY B 17 5.258 -0.233 -9.892 1.00 0.00 O HETATM 562 C5' XTY B 17 4.227 -3.193 -9.026 1.00 0.00 C HETATM 563 C4' XTY B 17 3.524 -4.540 -9.147 1.00 0.00 C HETATM 564 O4' XTY B 17 2.490 -4.615 -8.150 1.00 0.00 O HETATM 565 C3' XTY B 17 2.814 -4.765 -10.482 1.00 0.00 C HETATM 566 C2' XTY B 17 1.363 -4.428 -10.181 1.00 0.00 C HETATM 567 C1' XTY B 17 1.226 -4.930 -8.746 1.00 0.00 C HETATM 568 O5' XTY B 17 3.966 -2.360 -10.162 1.00 0.00 O HETATM 569 C2 XTY B 17 0.386 -6.209 -4.917 1.00 0.00 C HETATM 570 O2 XTY B 17 1.016 -7.146 -4.434 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.615 -5.577 -4.202 1.00 0.00 N HETATM 572 C4 XTY B 17 -1.370 -4.520 -4.676 1.00 0.00 C HETATM 573 O4 XTY B 17 -2.250 -4.016 -3.985 1.00 0.00 O HETATM 574 C5 XTY B 17 -1.101 -4.055 -5.967 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.081 -4.682 -6.723 1.00 0.00 C HETATM 576 N XTY B 17 0.657 -5.748 -6.206 1.00 0.00 N HETATM 577 CP XTY B 17 -1.838 -2.977 -6.504 1.00 0.00 C HETATM 578 CD XTY B 17 -0.541 -3.149 -8.552 1.00 0.00 C HETATM 579 C8 XTY B 17 0.214 -4.241 -8.030 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.552 -2.530 -7.794 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.338 -1.364 -8.386 1.00 0.00 C HETATM 582 O3' XTY B 17 2.882 -6.165 -10.768 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.397 -1.621 -8.424 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.201 -0.480 -7.764 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -1.978 -1.157 -9.394 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.894 -2.688 -8.119 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 5.301 -3.350 -8.928 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 1.165 -3.359 -10.263 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 0.675 -4.933 -10.860 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.622 -2.499 -5.917 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.810 -5.914 -3.259 1.00 0.00 H new HETATM 0 HN XTY B 17 1.388 -6.186 -6.766 1.00 0.00 H new HETATM 0 HD XTY B 17 -0.330 -2.787 -9.558 1.00 0.00 H new HETATM 0 H4' XTY B 17 4.311 -5.286 -9.037 1.00 0.00 H new HETATM 0 H3' XTY B 17 3.233 -4.188 -11.306 1.00 0.00 H new HETATM 0 H1' XTY B 17 0.962 -5.987 -8.726 1.00 0.00 H new ATOM 597 P DA B 18 3.594 -6.683 -12.117 1.00 0.00 P ATOM 598 OP1 DA B 18 4.943 -6.079 -12.191 1.00 0.00 O ATOM 599 OP2 DA B 18 2.643 -6.503 -13.237 1.00 0.00 O ATOM 600 O5' DA B 18 3.760 -8.261 -11.850 1.00 0.00 O ATOM 601 C5' DA B 18 4.644 -8.749 -10.834 1.00 0.00 C ATOM 602 C4' DA B 18 4.220 -10.134 -10.351 1.00 0.00 C ATOM 603 O4' DA B 18 3.266 -9.981 -9.293 1.00 0.00 O ATOM 604 C3' DA B 18 3.509 -10.976 -11.399 1.00 0.00 C ATOM 605 O3' DA B 18 3.643 -12.346 -11.006 1.00 0.00 O ATOM 606 C2' DA B 18 2.048 -10.594 -11.222 1.00 0.00 C ATOM 607 C1' DA B 18 1.955 -10.393 -9.712 1.00 0.00 C ATOM 608 N9 DA B 18 1.001 -9.328 -9.347 1.00 0.00 N ATOM 609 C8 DA B 18 0.733 -8.159 -10.014 1.00 0.00 C ATOM 610 N7 DA B 18 -0.139 -7.403 -9.413 1.00 0.00 N ATOM 611 C5 DA B 18 -0.471 -8.120 -8.272 1.00 0.00 C ATOM 612 C6 DA B 18 -1.347 -7.857 -7.213 1.00 0.00 C ATOM 613 N6 DA B 18 -2.065 -6.741 -7.120 1.00 0.00 N ATOM 614 N1 DA B 18 -1.448 -8.772 -6.238 1.00 0.00 N ATOM 615 C2 DA B 18 -0.719 -9.877 -6.316 1.00 0.00 C ATOM 616 N3 DA B 18 0.144 -10.244 -7.255 1.00 0.00 N ATOM 617 C4 DA B 18 0.216 -9.298 -8.218 1.00 0.00 C ATOM 0 H5' DA B 18 4.654 -8.055 -9.993 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.661 -8.793 -11.224 1.00 0.00 H new ATOM 0 H4' DA B 18 5.146 -10.632 -10.062 1.00 0.00 H new ATOM 0 H3' DA B 18 3.884 -10.833 -12.412 1.00 0.00 H new ATOM 0 H2' DA B 18 1.794 -9.687 -11.771 1.00 0.00 H new ATOM 0 H2'' DA B 18 1.376 -11.378 -11.572 1.00 0.00 H new ATOM 0 H1' DA B 18 1.612 -11.313 -9.239 1.00 0.00 H new ATOM 0 H8 DA B 18 1.202 -7.892 -10.950 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.689 -6.601 -6.325 1.00 0.00 H new ATOM 0 H62 DA B 18 -1.992 -6.026 -7.843 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.845 -10.576 -5.502 1.00 0.00 H new HETATM 629 P XCS B 19 3.626 -13.515 -12.113 1.00 0.00 P HETATM 630 OP2 XCS B 19 3.658 -14.818 -11.413 1.00 0.00 O HETATM 631 C6 XCS B 19 -2.254 -10.023 -11.973 1.00 0.00 C HETATM 632 C2 XCS B 19 -3.632 -10.842 -10.184 1.00 0.00 C HETATM 633 O2 XCS B 19 -4.150 -11.792 -9.604 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.808 -9.556 -9.737 1.00 0.00 N HETATM 635 C4 XCS B 19 -3.240 -8.510 -10.364 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.464 -7.291 -9.872 1.00 0.00 N HETATM 637 C5 XCS B 19 -2.427 -8.711 -11.521 1.00 0.00 C HETATM 638 OP1 XCS B 19 4.650 -13.201 -13.136 1.00 0.00 O HETATM 639 O5' XCS B 19 2.173 -13.335 -12.784 1.00 0.00 O HETATM 640 C5' XCS B 19 0.995 -13.787 -12.109 1.00 0.00 C HETATM 641 C4' XCS B 19 -0.254 -13.612 -12.969 1.00 0.00 C HETATM 642 O4' XCS B 19 -1.026 -12.496 -12.484 1.00 0.00 O HETATM 643 C1' XCS B 19 -1.381 -11.631 -13.570 1.00 0.00 C HETATM 644 ND XCS B 19 -2.848 -11.080 -11.314 1.00 0.00 N HETATM 645 CP XCS B 19 -1.822 -7.624 -12.192 1.00 0.00 C HETATM 646 CD XCS B 19 -0.865 -9.195 -13.781 1.00 0.00 C HETATM 647 C8 XCS B 19 -1.473 -10.295 -13.114 1.00 0.00 C HETATM 648 C7 XCS B 19 -1.042 -7.874 -13.321 1.00 0.00 C HETATM 649 C7A XCS B 19 -0.389 -6.713 -14.067 1.00 0.00 C HETATM 650 C2' XCS B 19 -0.227 -11.809 -14.548 1.00 0.00 C HETATM 651 C3' XCS B 19 0.013 -13.302 -14.444 1.00 0.00 C HETATM 652 O3' XCS B 19 -1.021 -13.942 -15.202 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.049 -6.475 -10.322 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.050 -7.174 -9.045 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -1.160 -6.031 -14.425 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 0.283 -6.180 -13.394 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 0.177 -7.098 -14.915 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 1.109 -14.838 -11.843 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 0.875 -13.234 -11.177 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 -0.493 -11.504 -15.560 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 0.650 -11.229 -14.261 1.00 0.00 H new HETATM 0 HP XCS B 19 -1.963 -6.605 -11.832 1.00 0.00 H new HETATM 0 HND XCS B 19 -2.714 -12.033 -11.652 1.00 0.00 H new HETATM 0 HD XCS B 19 -0.251 -9.377 -14.663 1.00 0.00 H new HETATM 0 H4' XCS B 19 -0.763 -14.573 -12.898 1.00 0.00 H new HETATM 0 H3' XCS B 19 0.999 -13.616 -14.786 1.00 0.00 H new HETATM 0 H1' XCS B 19 -2.347 -11.861 -14.020 1.00 0.00 H new ATOM 668 P DA B 20 -0.795 -14.318 -16.753 1.00 0.00 P ATOM 669 OP1 DA B 20 0.641 -14.612 -16.955 1.00 0.00 O ATOM 670 OP2 DA B 20 -1.814 -15.321 -17.138 1.00 0.00 O ATOM 671 O5' DA B 20 -1.136 -12.930 -17.503 1.00 0.00 O ATOM 672 C5' DA B 20 -2.324 -12.792 -18.292 1.00 0.00 C ATOM 673 C4' DA B 20 -2.740 -11.329 -18.450 1.00 0.00 C ATOM 674 O4' DA B 20 -4.106 -11.184 -18.033 1.00 0.00 O ATOM 675 C3' DA B 20 -1.960 -10.336 -17.588 1.00 0.00 C ATOM 676 O3' DA B 20 -1.960 -9.038 -18.187 1.00 0.00 O ATOM 677 C2' DA B 20 -2.778 -10.332 -16.307 1.00 0.00 C ATOM 678 C1' DA B 20 -4.192 -10.378 -16.853 1.00 0.00 C ATOM 679 N9 DA B 20 -5.148 -11.001 -15.917 1.00 0.00 N ATOM 680 C8 DA B 20 -5.263 -12.320 -15.551 1.00 0.00 C ATOM 681 N7 DA B 20 -6.253 -12.550 -14.735 1.00 0.00 N ATOM 682 C5 DA B 20 -6.828 -11.299 -14.548 1.00 0.00 C ATOM 683 C6 DA B 20 -7.925 -10.860 -13.793 1.00 0.00 C ATOM 684 N6 DA B 20 -8.690 -11.673 -13.064 1.00 0.00 N ATOM 685 N1 DA B 20 -8.222 -9.551 -13.829 1.00 0.00 N ATOM 686 C2 DA B 20 -7.479 -8.738 -14.569 1.00 0.00 C ATOM 687 N3 DA B 20 -6.432 -9.027 -15.322 1.00 0.00 N ATOM 688 C4 DA B 20 -6.160 -10.347 -15.262 1.00 0.00 C ATOM 0 H5' DA B 20 -3.135 -13.351 -17.826 1.00 0.00 H new ATOM 0 H5'' DA B 20 -2.158 -13.230 -19.276 1.00 0.00 H new ATOM 0 H4' DA B 20 -2.554 -11.103 -19.500 1.00 0.00 H new ATOM 0 H3' DA B 20 -0.911 -10.597 -17.448 1.00 0.00 H new ATOM 0 H2' DA B 20 -2.554 -11.191 -15.674 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.598 -9.439 -15.708 1.00 0.00 H new ATOM 0 HO3' DA B 20 -1.458 -8.416 -17.620 1.00 0.00 H new ATOM 0 H1' DA B 20 -4.557 -9.367 -17.033 1.00 0.00 H new ATOM 0 H8 DA B 20 -4.597 -13.093 -15.905 1.00 0.00 H new ATOM 0 H61 DA B 20 -9.476 -11.295 -12.535 1.00 0.00 H new ATOM 0 H62 DA B 20 -8.489 -12.673 -13.036 1.00 0.00 H new ATOM 0 H2 DA B 20 -7.770 -7.698 -14.554 1.00 0.00 H new TER 701 DA B 20