USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 253 hydrogens (14 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 1 DC O5' : rot -32:sc= 0.00578 USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.28 (180deg=-1.28) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.634 (180deg=-1.06) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 39:sc= 0.0117 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.368 (180deg=-0.368) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.896 -16.043 0.008 1.00 0.00 O ATOM 2 C5' DC A 1 7.960 -14.786 -0.632 1.00 0.00 C ATOM 3 C4' DC A 1 7.119 -14.801 -1.913 1.00 0.00 C ATOM 4 O4' DC A 1 5.772 -15.009 -1.515 1.00 0.00 O ATOM 5 C3' DC A 1 7.185 -13.440 -2.617 1.00 0.00 C ATOM 6 O3' DC A 1 7.199 -13.650 -4.019 1.00 0.00 O ATOM 7 C2' DC A 1 5.895 -12.776 -2.145 1.00 0.00 C ATOM 8 C1' DC A 1 4.968 -13.987 -2.072 1.00 0.00 C ATOM 9 N1 DC A 1 3.805 -13.771 -1.166 1.00 0.00 N ATOM 10 C2 DC A 1 2.513 -13.812 -1.697 1.00 0.00 C ATOM 11 O2 DC A 1 2.319 -13.979 -2.898 1.00 0.00 O ATOM 12 N3 DC A 1 1.454 -13.662 -0.849 1.00 0.00 N ATOM 13 C4 DC A 1 1.639 -13.444 0.462 1.00 0.00 C ATOM 14 N4 DC A 1 0.569 -13.290 1.247 1.00 0.00 N ATOM 15 C5 DC A 1 2.957 -13.392 1.029 1.00 0.00 C ATOM 16 C6 DC A 1 3.997 -13.564 0.180 1.00 0.00 C ATOM 0 H5' DC A 1 8.996 -14.544 -0.871 1.00 0.00 H new ATOM 0 H5'' DC A 1 7.598 -14.008 0.041 1.00 0.00 H new ATOM 0 H4' DC A 1 7.486 -15.573 -2.589 1.00 0.00 H new ATOM 0 H3' DC A 1 8.066 -12.838 -2.396 1.00 0.00 H new ATOM 0 H2' DC A 1 6.011 -12.284 -1.179 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.537 -12.022 -2.846 1.00 0.00 H new ATOM 0 HO5' DC A 1 7.019 -16.449 -0.156 1.00 0.00 H new ATOM 0 H1' DC A 1 4.560 -14.210 -3.058 1.00 0.00 H new ATOM 0 H41 DC A 1 0.689 -13.123 2.246 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.368 -13.339 0.847 1.00 0.00 H new ATOM 0 H5 DC A 1 3.112 -13.223 2.085 1.00 0.00 H new ATOM 0 H6 DC A 1 5.004 -13.538 0.570 1.00 0.00 H new ATOM 29 P DG A 2 7.387 -12.436 -5.070 1.00 0.00 P ATOM 30 OP1 DG A 2 8.073 -12.972 -6.267 1.00 0.00 O ATOM 31 OP2 DG A 2 7.967 -11.281 -4.351 1.00 0.00 O ATOM 32 O5' DG A 2 5.873 -12.055 -5.481 1.00 0.00 O ATOM 33 C5' DG A 2 5.137 -12.835 -6.406 1.00 0.00 C ATOM 34 C4' DG A 2 3.799 -12.166 -6.744 1.00 0.00 C ATOM 35 O4' DG A 2 2.960 -12.235 -5.602 1.00 0.00 O ATOM 36 C3' DG A 2 3.967 -10.682 -7.110 1.00 0.00 C ATOM 37 O3' DG A 2 3.143 -10.446 -8.240 1.00 0.00 O ATOM 38 C2' DG A 2 3.453 -10.009 -5.837 1.00 0.00 C ATOM 39 C1' DG A 2 2.369 -10.964 -5.438 1.00 0.00 C ATOM 40 N9 DG A 2 1.857 -10.836 -4.060 1.00 0.00 N ATOM 41 C8 DG A 2 2.539 -10.546 -2.910 1.00 0.00 C ATOM 42 N7 DG A 2 1.814 -10.616 -1.828 1.00 0.00 N ATOM 43 C5 DG A 2 0.546 -10.949 -2.299 1.00 0.00 C ATOM 44 C6 DG A 2 -0.681 -11.148 -1.594 1.00 0.00 C ATOM 45 O6 DG A 2 -0.859 -11.180 -0.380 1.00 0.00 O ATOM 46 N1 DG A 2 -1.767 -11.320 -2.450 1.00 0.00 N ATOM 47 C2 DG A 2 -1.673 -11.354 -3.830 1.00 0.00 C ATOM 48 N2 DG A 2 -2.803 -11.527 -4.520 1.00 0.00 N ATOM 49 N3 DG A 2 -0.512 -11.233 -4.491 1.00 0.00 N ATOM 50 C4 DG A 2 0.554 -11.027 -3.671 1.00 0.00 C ATOM 0 H5' DG A 2 4.958 -13.826 -5.990 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.720 -12.972 -7.317 1.00 0.00 H new ATOM 0 H4' DG A 2 3.374 -12.689 -7.601 1.00 0.00 H new ATOM 0 H3' DG A 2 4.965 -10.333 -7.376 1.00 0.00 H new ATOM 0 H2' DG A 2 4.227 -9.919 -5.075 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.072 -9.005 -6.024 1.00 0.00 H new ATOM 0 H1' DG A 2 1.488 -10.768 -6.049 1.00 0.00 H new ATOM 0 H8 DG A 2 3.586 -10.282 -2.899 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.691 -11.428 -2.032 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.779 -11.558 -5.539 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.691 -11.628 -4.028 1.00 0.00 H new ATOM 62 P DC A 3 2.938 -8.994 -8.918 1.00 0.00 P ATOM 63 OP1 DC A 3 3.150 -9.132 -10.376 1.00 0.00 O ATOM 64 OP2 DC A 3 3.705 -7.983 -8.156 1.00 0.00 O ATOM 65 O5' DC A 3 1.366 -8.745 -8.654 1.00 0.00 O ATOM 66 C5' DC A 3 0.389 -9.586 -9.243 1.00 0.00 C ATOM 67 C4' DC A 3 -1.035 -9.104 -8.944 1.00 0.00 C ATOM 68 O4' DC A 3 -1.247 -9.203 -7.545 1.00 0.00 O ATOM 69 C3' DC A 3 -1.239 -7.642 -9.351 1.00 0.00 C ATOM 70 O3' DC A 3 -2.525 -7.544 -9.945 1.00 0.00 O ATOM 71 C2' DC A 3 -1.147 -6.918 -8.009 1.00 0.00 C ATOM 72 C1' DC A 3 -1.727 -7.964 -7.054 1.00 0.00 C ATOM 73 N1 DC A 3 -1.239 -7.883 -5.647 1.00 0.00 N ATOM 74 C2 DC A 3 -2.136 -8.129 -4.603 1.00 0.00 C ATOM 75 O2 DC A 3 -3.325 -8.351 -4.819 1.00 0.00 O ATOM 76 N3 DC A 3 -1.669 -8.120 -3.320 1.00 0.00 N ATOM 77 C4 DC A 3 -0.374 -7.893 -3.058 1.00 0.00 C ATOM 78 N4 DC A 3 0.038 -7.885 -1.787 1.00 0.00 N ATOM 79 C5 DC A 3 0.578 -7.711 -4.115 1.00 0.00 C ATOM 80 C6 DC A 3 0.099 -7.716 -5.381 1.00 0.00 C ATOM 0 H5' DC A 3 0.514 -10.603 -8.871 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.542 -9.620 -10.322 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.733 -9.720 -9.511 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.531 -7.233 -10.072 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.120 -6.656 -7.755 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.723 -5.993 -8.002 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.807 -7.822 -7.026 1.00 0.00 H new ATOM 0 H41 DC A 3 1.020 -7.714 -1.570 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.629 -8.050 -1.034 1.00 0.00 H new ATOM 0 H5 DC A 3 1.630 -7.576 -3.910 1.00 0.00 H new ATOM 0 H6 DC A 3 0.786 -7.585 -6.204 1.00 0.00 H new ATOM 92 P DA A 4 -3.143 -6.148 -10.475 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.096 -6.450 -11.566 1.00 0.00 O ATOM 94 OP2 DA A 4 -2.034 -5.196 -10.709 1.00 0.00 O ATOM 95 O5' DA A 4 -3.982 -5.643 -9.193 1.00 0.00 O ATOM 96 C5' DA A 4 -5.198 -6.265 -8.824 1.00 0.00 C ATOM 97 C4' DA A 4 -5.750 -5.638 -7.543 1.00 0.00 C ATOM 98 O4' DA A 4 -4.988 -6.013 -6.419 1.00 0.00 O ATOM 99 C3' DA A 4 -5.917 -4.118 -7.586 1.00 0.00 C ATOM 100 O3' DA A 4 -7.286 -3.758 -7.428 1.00 0.00 O ATOM 101 C2' DA A 4 -5.081 -3.805 -6.388 1.00 0.00 C ATOM 102 C1' DA A 4 -5.212 -4.992 -5.478 1.00 0.00 C ATOM 103 N9 DA A 4 -4.108 -5.056 -4.524 1.00 0.00 N ATOM 104 C8 DA A 4 -2.799 -4.988 -4.858 1.00 0.00 C ATOM 105 N7 DA A 4 -1.974 -5.046 -3.851 1.00 0.00 N ATOM 106 C5 DA A 4 -2.830 -5.182 -2.759 1.00 0.00 C ATOM 107 C6 DA A 4 -2.608 -5.313 -1.375 1.00 0.00 C ATOM 108 N6 DA A 4 -1.385 -5.357 -0.840 1.00 0.00 N ATOM 109 N1 DA A 4 -3.677 -5.406 -0.562 1.00 0.00 N ATOM 110 C2 DA A 4 -4.900 -5.383 -1.086 1.00 0.00 C ATOM 111 N3 DA A 4 -5.243 -5.279 -2.366 1.00 0.00 N ATOM 112 C4 DA A 4 -4.144 -5.184 -3.162 1.00 0.00 C ATOM 0 H5' DA A 4 -5.037 -7.333 -8.674 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.925 -6.163 -9.629 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.759 -6.042 -7.457 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.632 -3.601 -8.502 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.041 -3.640 -6.669 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.426 -2.895 -5.897 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.138 -5.011 -4.903 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.464 -4.893 -5.880 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.273 -5.453 0.169 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.563 -5.295 -1.441 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.716 -5.458 -0.383 1.00 0.00 H new ATOM 124 P DT A 5 -7.781 -2.224 -7.230 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.164 -2.121 -7.749 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.734 -1.322 -7.760 1.00 0.00 O ATOM 127 O5' DT A 5 -7.833 -2.037 -5.620 1.00 0.00 O ATOM 128 C5' DT A 5 -8.820 -2.691 -4.843 1.00 0.00 C ATOM 129 C4' DT A 5 -8.678 -2.405 -3.341 1.00 0.00 C ATOM 130 O4' DT A 5 -7.456 -2.900 -2.863 1.00 0.00 O ATOM 131 C3' DT A 5 -8.808 -0.933 -2.925 1.00 0.00 C ATOM 132 O3' DT A 5 -9.927 -0.833 -2.053 1.00 0.00 O ATOM 133 C2' DT A 5 -7.491 -0.660 -2.210 1.00 0.00 C ATOM 134 C1' DT A 5 -7.042 -2.059 -1.806 1.00 0.00 C ATOM 135 N1 DT A 5 -5.570 -2.115 -1.845 1.00 0.00 N ATOM 136 C2 DT A 5 -4.863 -2.255 -0.662 1.00 0.00 C ATOM 137 O2 DT A 5 -5.398 -2.529 0.408 1.00 0.00 O ATOM 138 N3 DT A 5 -3.496 -2.061 -0.757 1.00 0.00 N ATOM 139 C4 DT A 5 -2.770 -1.936 -1.932 1.00 0.00 C ATOM 140 O4 DT A 5 -1.541 -1.918 -1.886 1.00 0.00 O ATOM 141 C5 DT A 5 -3.588 -1.835 -3.135 1.00 0.00 C ATOM 142 C7 DT A 5 -2.906 -1.655 -4.479 1.00 0.00 C ATOM 143 C6 DT A 5 -4.945 -1.907 -3.046 1.00 0.00 C ATOM 0 H5' DT A 5 -8.756 -3.766 -5.012 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.808 -2.374 -5.177 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.528 -2.919 -2.892 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.970 -0.224 -3.737 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.767 -0.174 -2.864 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.625 -0.011 -1.345 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.430 -2.328 -0.824 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.974 -2.005 0.118 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.515 -2.110 -5.260 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.785 -0.592 -4.686 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.927 -2.134 -4.457 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.540 -1.798 -3.940 1.00 0.00 H new ATOM 156 P DA A 6 -10.368 0.540 -1.318 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.764 0.378 -0.854 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.020 1.672 -2.205 1.00 0.00 O ATOM 159 O5' DA A 6 -9.413 0.613 -0.013 1.00 0.00 O ATOM 160 C5' DA A 6 -9.485 -0.344 1.029 1.00 0.00 C ATOM 161 C4' DA A 6 -8.478 -0.029 2.149 1.00 0.00 C ATOM 162 O4' DA A 6 -7.199 -0.504 1.769 1.00 0.00 O ATOM 163 C3' DA A 6 -8.344 1.470 2.487 1.00 0.00 C ATOM 164 O3' DA A 6 -9.002 1.757 3.710 1.00 0.00 O ATOM 165 C2' DA A 6 -6.843 1.565 2.563 1.00 0.00 C ATOM 166 C1' DA A 6 -6.255 0.198 2.553 1.00 0.00 C ATOM 167 N9 DA A 6 -4.978 0.297 1.812 1.00 0.00 N ATOM 168 C8 DA A 6 -4.857 0.537 0.481 1.00 0.00 C ATOM 169 N7 DA A 6 -3.653 0.684 0.023 1.00 0.00 N ATOM 170 C5 DA A 6 -2.899 0.525 1.168 1.00 0.00 C ATOM 171 C6 DA A 6 -1.515 0.441 1.370 1.00 0.00 C ATOM 172 N6 DA A 6 -0.652 0.407 0.351 1.00 0.00 N ATOM 173 N1 DA A 6 -1.072 0.314 2.632 1.00 0.00 N ATOM 174 C2 DA A 6 -1.961 0.271 3.622 1.00 0.00 C ATOM 175 N3 DA A 6 -3.286 0.302 3.566 1.00 0.00 N ATOM 176 C4 DA A 6 -3.699 0.413 2.282 1.00 0.00 C ATOM 0 H5' DA A 6 -9.286 -1.338 0.627 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.495 -0.362 1.440 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.863 -0.524 3.040 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.792 2.179 1.791 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.462 2.142 1.720 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.547 2.092 3.470 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.069 -0.256 3.526 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.721 0.602 -0.164 1.00 0.00 H new ATOM 0 H61 DA A 6 0.350 0.346 0.533 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.995 0.442 -0.609 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.543 0.201 4.615 1.00 0.00 H new ATOM 188 P DT A 7 -8.989 3.225 4.396 1.00 0.00 P ATOM 189 OP1 DT A 7 -9.993 3.227 5.483 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.065 4.243 3.326 1.00 0.00 O ATOM 191 O5' DT A 7 -7.527 3.322 5.073 1.00 0.00 O ATOM 192 C5' DT A 7 -7.081 2.358 6.012 1.00 0.00 C ATOM 193 C4' DT A 7 -5.628 2.620 6.426 1.00 0.00 C ATOM 194 O4' DT A 7 -4.801 2.401 5.292 1.00 0.00 O ATOM 195 C3' DT A 7 -5.424 4.068 6.883 1.00 0.00 C ATOM 196 O3' DT A 7 -4.839 4.068 8.176 1.00 0.00 O ATOM 197 C2' DT A 7 -4.487 4.614 5.809 1.00 0.00 C ATOM 198 C1' DT A 7 -3.769 3.366 5.306 1.00 0.00 C ATOM 199 N1 DT A 7 -3.238 3.538 3.936 1.00 0.00 N ATOM 200 C2 DT A 7 -1.869 3.396 3.706 1.00 0.00 C ATOM 201 O2 DT A 7 -1.041 3.232 4.599 1.00 0.00 O ATOM 202 N3 DT A 7 -1.467 3.449 2.381 1.00 0.00 N ATOM 203 C4 DT A 7 -2.290 3.670 1.288 1.00 0.00 C ATOM 204 O4 DT A 7 -1.804 3.679 0.159 1.00 0.00 O ATOM 205 C5 DT A 7 -3.692 3.871 1.627 1.00 0.00 C ATOM 206 C7 DT A 7 -4.715 4.132 0.545 1.00 0.00 C ATOM 207 C6 DT A 7 -4.107 3.799 2.915 1.00 0.00 C ATOM 0 H5' DT A 7 -7.165 1.360 5.581 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.723 2.380 6.893 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.379 1.954 7.252 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.331 4.665 6.975 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.037 5.112 5.010 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.788 5.344 6.218 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.909 3.109 5.925 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.474 3.313 2.193 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.239 4.648 -0.289 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.127 3.185 0.198 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.517 4.752 0.945 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.152 3.952 3.140 1.00 0.00 H new ATOM 220 P DA A 8 -4.584 5.431 9.011 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.580 5.093 10.452 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.501 6.477 8.506 1.00 0.00 O ATOM 223 O5' DA A 8 -3.083 5.833 8.583 1.00 0.00 O ATOM 224 C5' DA A 8 -1.967 5.123 9.082 1.00 0.00 C ATOM 225 C4' DA A 8 -0.669 5.659 8.475 1.00 0.00 C ATOM 226 O4' DA A 8 -0.603 5.318 7.102 1.00 0.00 O ATOM 227 C3' DA A 8 -0.522 7.185 8.582 1.00 0.00 C ATOM 228 O3' DA A 8 0.678 7.486 9.277 1.00 0.00 O ATOM 229 C2' DA A 8 -0.498 7.565 7.128 1.00 0.00 C ATOM 230 C1' DA A 8 0.117 6.363 6.489 1.00 0.00 C ATOM 231 N9 DA A 8 -0.115 6.350 5.038 1.00 0.00 N ATOM 232 C8 DA A 8 -1.296 6.557 4.391 1.00 0.00 C ATOM 233 N7 DA A 8 -1.231 6.448 3.093 1.00 0.00 N ATOM 234 C5 DA A 8 0.114 6.169 2.867 1.00 0.00 C ATOM 235 C6 DA A 8 0.863 5.908 1.701 1.00 0.00 C ATOM 236 N6 DA A 8 0.314 5.794 0.485 1.00 0.00 N ATOM 237 N1 DA A 8 2.194 5.748 1.828 1.00 0.00 N ATOM 238 C2 DA A 8 2.750 5.805 3.036 1.00 0.00 C ATOM 239 N3 DA A 8 2.153 5.988 4.208 1.00 0.00 N ATOM 240 C4 DA A 8 0.814 6.163 4.050 1.00 0.00 C ATOM 0 H5' DA A 8 -2.071 4.063 8.851 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.930 5.211 10.168 1.00 0.00 H new ATOM 0 H4' DA A 8 0.136 5.201 9.049 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.296 7.718 9.135 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.499 7.761 6.743 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.093 8.464 6.953 1.00 0.00 H new ATOM 0 H1' DA A 8 1.198 6.309 6.614 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.213 6.792 4.911 1.00 0.00 H new ATOM 0 H61 DA A 8 0.904 5.604 -0.325 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.694 5.897 0.369 1.00 0.00 H new ATOM 0 H2 DA A 8 3.823 5.687 3.067 1.00 0.00 H new ATOM 252 P DG A 9 1.144 8.998 9.614 1.00 0.00 P ATOM 253 OP1 DG A 9 1.553 9.049 11.036 1.00 0.00 O ATOM 254 OP2 DG A 9 0.124 9.944 9.110 1.00 0.00 O ATOM 255 O5' DG A 9 2.464 9.161 8.701 1.00 0.00 O ATOM 256 C5' DG A 9 3.620 8.385 8.944 1.00 0.00 C ATOM 257 C4' DG A 9 4.830 8.874 8.137 1.00 0.00 C ATOM 258 O4' DG A 9 4.590 8.663 6.755 1.00 0.00 O ATOM 259 C3' DG A 9 5.106 10.366 8.326 1.00 0.00 C ATOM 260 O3' DG A 9 6.519 10.488 8.259 1.00 0.00 O ATOM 261 C2' DG A 9 4.343 10.985 7.157 1.00 0.00 C ATOM 262 C1' DG A 9 4.463 9.907 6.082 1.00 0.00 C ATOM 263 N9 DG A 9 3.314 9.730 5.164 1.00 0.00 N ATOM 264 C8 DG A 9 1.976 9.959 5.365 1.00 0.00 C ATOM 265 N7 DG A 9 1.237 9.738 4.311 1.00 0.00 N ATOM 266 C5 DG A 9 2.146 9.332 3.338 1.00 0.00 C ATOM 267 C6 DG A 9 1.951 9.019 1.957 1.00 0.00 C ATOM 268 O6 DG A 9 0.896 8.983 1.331 1.00 0.00 O ATOM 269 N1 DG A 9 3.145 8.728 1.298 1.00 0.00 N ATOM 270 C2 DG A 9 4.383 8.694 1.910 1.00 0.00 C ATOM 271 N2 DG A 9 5.440 8.415 1.141 1.00 0.00 N ATOM 272 N3 DG A 9 4.566 8.972 3.209 1.00 0.00 N ATOM 273 C4 DG A 9 3.415 9.291 3.864 1.00 0.00 C ATOM 0 H5' DG A 9 3.415 7.344 8.693 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.859 8.416 10.007 1.00 0.00 H new ATOM 0 H4' DG A 9 5.691 8.311 8.497 1.00 0.00 H new ATOM 0 H3' DG A 9 4.794 10.846 9.254 1.00 0.00 H new ATOM 0 H2' DG A 9 3.303 11.190 7.413 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.785 11.929 6.837 1.00 0.00 H new ATOM 0 H1' DG A 9 5.305 10.226 5.468 1.00 0.00 H new ATOM 0 H8 DG A 9 1.571 10.292 6.309 1.00 0.00 H new ATOM 0 H1 DG A 9 3.101 8.527 0.299 1.00 0.00 H new ATOM 0 H21 DG A 9 6.373 8.379 1.551 1.00 0.00 H new ATOM 0 H22 DG A 9 5.313 8.238 0.145 1.00 0.00 H new ATOM 285 P DC A 10 7.320 11.882 8.114 1.00 0.00 P ATOM 286 OP1 DC A 10 8.586 11.764 8.871 1.00 0.00 O ATOM 287 OP2 DC A 10 6.401 13.009 8.389 1.00 0.00 O ATOM 288 O5' DC A 10 7.670 11.862 6.536 1.00 0.00 O ATOM 289 C5' DC A 10 8.459 10.818 5.987 1.00 0.00 C ATOM 290 C4' DC A 10 8.784 11.023 4.500 1.00 0.00 C ATOM 291 O4' DC A 10 7.595 10.696 3.816 1.00 0.00 O ATOM 292 C3' DC A 10 9.161 12.460 4.113 1.00 0.00 C ATOM 293 O3' DC A 10 10.560 12.627 3.937 1.00 0.00 O ATOM 294 C2' DC A 10 8.427 12.643 2.793 1.00 0.00 C ATOM 295 C1' DC A 10 7.514 11.449 2.627 1.00 0.00 C ATOM 296 N1 DC A 10 6.101 11.861 2.451 1.00 0.00 N ATOM 297 C2 DC A 10 5.557 11.852 1.168 1.00 0.00 C ATOM 298 O2 DC A 10 6.276 11.691 0.185 1.00 0.00 O ATOM 299 N3 DC A 10 4.209 12.025 1.027 1.00 0.00 N ATOM 300 C4 DC A 10 3.425 12.219 2.099 1.00 0.00 C ATOM 301 N4 DC A 10 2.105 12.339 1.924 1.00 0.00 N ATOM 302 C5 DC A 10 3.980 12.273 3.423 1.00 0.00 C ATOM 303 C6 DC A 10 5.312 12.109 3.545 1.00 0.00 C ATOM 0 H5' DC A 10 7.934 9.871 6.110 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.390 10.741 6.549 1.00 0.00 H new ATOM 0 H4' DC A 10 9.651 10.411 4.252 1.00 0.00 H new ATOM 0 H3' DC A 10 8.894 13.185 4.881 1.00 0.00 H new ATOM 0 H2' DC A 10 7.853 13.570 2.796 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.133 12.707 1.965 1.00 0.00 H new ATOM 0 H1' DC A 10 7.822 10.886 1.746 1.00 0.00 H new ATOM 0 H41 DC A 10 1.495 12.487 2.728 1.00 0.00 H new ATOM 0 H42 DC A 10 1.708 12.283 0.986 1.00 0.00 H new ATOM 0 H5 DC A 10 3.354 12.439 4.287 1.00 0.00 H new ATOM 0 H6 DC A 10 5.767 12.174 4.522 1.00 0.00 H new ATOM 315 P DC A 11 11.219 14.062 3.548 1.00 0.00 P ATOM 316 OP1 DC A 11 12.688 13.936 3.673 1.00 0.00 O ATOM 317 OP2 DC A 11 10.511 15.115 4.309 1.00 0.00 O ATOM 318 O5' DC A 11 10.875 14.278 1.978 1.00 0.00 O ATOM 319 C5' DC A 11 11.536 13.542 0.965 1.00 0.00 C ATOM 320 C4' DC A 11 10.912 13.788 -0.417 1.00 0.00 C ATOM 321 O4' DC A 11 9.568 13.368 -0.435 1.00 0.00 O ATOM 322 C3' DC A 11 10.957 15.231 -0.912 1.00 0.00 C ATOM 323 O3' DC A 11 12.163 15.496 -1.596 1.00 0.00 O ATOM 324 C2' DC A 11 9.767 15.253 -1.872 1.00 0.00 C ATOM 325 C1' DC A 11 8.876 14.071 -1.455 1.00 0.00 C ATOM 326 N1 DC A 11 7.614 14.528 -0.816 1.00 0.00 N ATOM 327 C2 DC A 11 6.394 14.377 -1.479 1.00 0.00 C ATOM 328 O2 DC A 11 6.339 13.955 -2.633 1.00 0.00 O ATOM 329 N3 DC A 11 5.250 14.712 -0.812 1.00 0.00 N ATOM 330 C4 DC A 11 5.290 15.192 0.441 1.00 0.00 C ATOM 331 N4 DC A 11 4.141 15.468 1.065 1.00 0.00 N ATOM 332 C5 DC A 11 6.537 15.395 1.122 1.00 0.00 C ATOM 333 C6 DC A 11 7.660 15.047 0.451 1.00 0.00 C ATOM 0 H5' DC A 11 11.491 12.479 1.200 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.590 13.819 0.943 1.00 0.00 H new ATOM 0 H4' DC A 11 11.535 13.203 -1.093 1.00 0.00 H new ATOM 0 H3' DC A 11 10.910 15.978 -0.120 1.00 0.00 H new ATOM 0 H2' DC A 11 9.225 16.196 -1.802 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.096 15.150 -2.906 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.167 16.426 -1.904 1.00 0.00 H new ATOM 0 H1' DC A 11 8.655 13.482 -2.345 1.00 0.00 H new ATOM 0 H41 DC A 11 4.153 15.833 2.017 1.00 0.00 H new ATOM 0 H42 DC A 11 3.252 15.313 0.589 1.00 0.00 H new ATOM 0 H5 DC A 11 6.577 15.805 2.120 1.00 0.00 H new ATOM 0 H6 DC A 11 8.619 15.182 0.928 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -4.982 14.916 -5.134 1.00 0.00 O ATOM 348 C5' DG B 12 -4.475 15.542 -6.295 1.00 0.00 C ATOM 349 C4' DG B 12 -3.088 14.994 -6.647 1.00 0.00 C ATOM 350 O4' DG B 12 -2.237 15.263 -5.548 1.00 0.00 O ATOM 351 C3' DG B 12 -3.098 13.475 -6.870 1.00 0.00 C ATOM 352 O3' DG B 12 -2.563 13.203 -8.155 1.00 0.00 O ATOM 353 C2' DG B 12 -2.208 12.962 -5.739 1.00 0.00 C ATOM 354 C1' DG B 12 -1.352 14.172 -5.414 1.00 0.00 C ATOM 355 N9 DG B 12 -0.864 14.164 -4.016 1.00 0.00 N ATOM 356 C8 DG B 12 -1.603 14.211 -2.861 1.00 0.00 C ATOM 357 N7 DG B 12 -0.892 14.274 -1.772 1.00 0.00 N ATOM 358 C5 DG B 12 0.419 14.263 -2.232 1.00 0.00 C ATOM 359 C6 DG B 12 1.642 14.318 -1.500 1.00 0.00 C ATOM 360 O6 DG B 12 1.792 14.390 -0.283 1.00 0.00 O ATOM 361 N1 DG B 12 2.759 14.279 -2.328 1.00 0.00 N ATOM 362 C2 DG B 12 2.707 14.176 -3.706 1.00 0.00 C ATOM 363 N2 DG B 12 3.876 14.100 -4.352 1.00 0.00 N ATOM 364 N3 DG B 12 1.556 14.125 -4.398 1.00 0.00 N ATOM 365 C4 DG B 12 0.450 14.176 -3.604 1.00 0.00 C ATOM 0 H5' DG B 12 -4.416 16.619 -6.137 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.158 15.379 -7.129 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.755 15.468 -7.570 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.081 13.005 -6.849 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.793 12.637 -4.879 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.604 12.111 -6.053 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.254 14.779 -4.492 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.475 14.202 -6.060 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.683 14.197 -2.856 1.00 0.00 H new ATOM 0 H1 DG B 12 3.678 14.330 -1.889 1.00 0.00 H new ATOM 0 H21 DG B 12 3.893 14.023 -5.369 1.00 0.00 H new ATOM 0 H22 DG B 12 4.751 14.119 -3.828 1.00 0.00 H new ATOM 378 P DG B 13 -2.475 11.706 -8.764 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.497 11.811 -10.240 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.471 10.857 -8.073 1.00 0.00 O ATOM 381 O5' DG B 13 -1.005 11.218 -8.316 1.00 0.00 O ATOM 382 C5' DG B 13 0.159 11.832 -8.834 1.00 0.00 C ATOM 383 C4' DG B 13 1.434 11.186 -8.280 1.00 0.00 C ATOM 384 O4' DG B 13 1.486 11.419 -6.882 1.00 0.00 O ATOM 385 C3' DG B 13 1.467 9.669 -8.492 1.00 0.00 C ATOM 386 O3' DG B 13 2.830 9.358 -8.733 1.00 0.00 O ATOM 387 C2' DG B 13 0.968 9.149 -7.143 1.00 0.00 C ATOM 388 C1' DG B 13 1.568 10.177 -6.203 1.00 0.00 C ATOM 389 N9 DG B 13 0.953 10.374 -4.873 1.00 0.00 N ATOM 390 C8 DG B 13 -0.352 10.277 -4.460 1.00 0.00 C ATOM 391 N7 DG B 13 -0.529 10.544 -3.193 1.00 0.00 N ATOM 392 C5 DG B 13 0.750 10.827 -2.724 1.00 0.00 C ATOM 393 C6 DG B 13 1.214 11.145 -1.409 1.00 0.00 C ATOM 394 O6 DG B 13 0.552 11.314 -0.389 1.00 0.00 O ATOM 395 N1 DG B 13 2.601 11.264 -1.347 1.00 0.00 N ATOM 396 C2 DG B 13 3.442 11.153 -2.438 1.00 0.00 C ATOM 397 N2 DG B 13 4.749 11.326 -2.234 1.00 0.00 N ATOM 398 N3 DG B 13 3.006 10.896 -3.677 1.00 0.00 N ATOM 399 C4 DG B 13 1.658 10.734 -3.751 1.00 0.00 C ATOM 0 H5' DG B 13 0.152 12.894 -8.587 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.156 11.758 -9.921 1.00 0.00 H new ATOM 0 H4' DG B 13 2.278 11.627 -8.810 1.00 0.00 H new ATOM 0 H3' DG B 13 0.878 9.255 -9.310 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.120 9.123 -7.087 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.322 8.140 -6.932 1.00 0.00 H new ATOM 0 H1' DG B 13 2.564 9.797 -5.975 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.160 10.004 -5.123 1.00 0.00 H new ATOM 0 H1 DG B 13 3.023 11.445 -0.436 1.00 0.00 H new ATOM 0 H21 DG B 13 5.401 11.252 -3.015 1.00 0.00 H new ATOM 0 H22 DG B 13 5.096 11.532 -1.297 1.00 0.00 H new ATOM 411 P DC B 14 3.385 7.874 -9.048 1.00 0.00 P ATOM 412 OP1 DC B 14 4.078 7.904 -10.355 1.00 0.00 O ATOM 413 OP2 DC B 14 2.315 6.880 -8.803 1.00 0.00 O ATOM 414 O5' DC B 14 4.493 7.730 -7.883 1.00 0.00 O ATOM 415 C5' DC B 14 5.645 8.554 -7.875 1.00 0.00 C ATOM 416 C4' DC B 14 6.515 8.299 -6.639 1.00 0.00 C ATOM 417 O4' DC B 14 5.759 8.662 -5.495 1.00 0.00 O ATOM 418 C3' DC B 14 6.899 6.821 -6.502 1.00 0.00 C ATOM 419 O3' DC B 14 8.275 6.766 -6.163 1.00 0.00 O ATOM 420 C2' DC B 14 5.983 6.358 -5.370 1.00 0.00 C ATOM 421 C1' DC B 14 5.871 7.631 -4.532 1.00 0.00 C ATOM 422 N1 DC B 14 4.635 7.677 -3.698 1.00 0.00 N ATOM 423 C2 DC B 14 4.742 7.852 -2.313 1.00 0.00 C ATOM 424 O2 DC B 14 5.836 7.931 -1.759 1.00 0.00 O ATOM 425 N3 DC B 14 3.600 7.938 -1.568 1.00 0.00 N ATOM 426 C4 DC B 14 2.393 7.860 -2.148 1.00 0.00 C ATOM 427 N4 DC B 14 1.295 7.959 -1.393 1.00 0.00 N ATOM 428 C5 DC B 14 2.260 7.721 -3.567 1.00 0.00 C ATOM 429 C6 DC B 14 3.395 7.642 -4.295 1.00 0.00 C ATOM 0 H5' DC B 14 5.344 9.601 -7.898 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.230 8.371 -8.776 1.00 0.00 H new ATOM 0 H4' DC B 14 7.431 8.882 -6.735 1.00 0.00 H new ATOM 0 H3' DC B 14 6.779 6.200 -7.390 1.00 0.00 H new ATOM 0 H2' DC B 14 5.014 6.022 -5.738 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.414 5.531 -4.805 1.00 0.00 H new ATOM 0 H1' DC B 14 6.719 7.706 -3.851 1.00 0.00 H new ATOM 0 H41 DC B 14 0.373 7.901 -1.824 1.00 0.00 H new ATOM 0 H42 DC B 14 1.379 8.093 -0.385 1.00 0.00 H new ATOM 0 H5 DC B 14 1.289 7.681 -4.037 1.00 0.00 H new ATOM 0 H6 DC B 14 3.328 7.549 -5.369 1.00 0.00 H new ATOM 441 P DT B 15 9.075 5.375 -5.991 1.00 0.00 P ATOM 442 OP1 DT B 15 10.518 5.648 -6.172 1.00 0.00 O ATOM 443 OP2 DT B 15 8.412 4.342 -6.817 1.00 0.00 O ATOM 444 O5' DT B 15 8.817 5.024 -4.441 1.00 0.00 O ATOM 445 C5' DT B 15 9.400 5.791 -3.405 1.00 0.00 C ATOM 446 C4' DT B 15 8.960 5.270 -2.033 1.00 0.00 C ATOM 447 O4' DT B 15 7.590 5.552 -1.896 1.00 0.00 O ATOM 448 C3' DT B 15 9.104 3.752 -1.856 1.00 0.00 C ATOM 449 O3' DT B 15 10.250 3.510 -1.049 1.00 0.00 O ATOM 450 C2' DT B 15 7.786 3.332 -1.210 1.00 0.00 C ATOM 451 C1' DT B 15 7.079 4.652 -0.941 1.00 0.00 C ATOM 452 N1 DT B 15 5.635 4.568 -1.231 1.00 0.00 N ATOM 453 C2 DT B 15 4.736 5.004 -0.267 1.00 0.00 C ATOM 454 O2 DT B 15 5.076 5.372 0.854 1.00 0.00 O ATOM 455 N3 DT B 15 3.405 5.003 -0.641 1.00 0.00 N ATOM 456 C4 DT B 15 2.897 4.610 -1.868 1.00 0.00 C ATOM 457 O4 DT B 15 1.686 4.673 -2.066 1.00 0.00 O ATOM 458 C5 DT B 15 3.903 4.150 -2.813 1.00 0.00 C ATOM 459 C7 DT B 15 3.473 3.693 -4.193 1.00 0.00 C ATOM 460 C6 DT B 15 5.217 4.142 -2.467 1.00 0.00 C ATOM 0 H5' DT B 15 9.111 6.836 -3.513 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.486 5.751 -3.483 1.00 0.00 H new ATOM 0 H4' DT B 15 9.601 5.754 -1.296 1.00 0.00 H new ATOM 0 H3' DT B 15 9.262 3.183 -2.772 1.00 0.00 H new ATOM 0 H2' DT B 15 7.202 2.692 -1.872 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.952 2.772 -0.290 1.00 0.00 H new ATOM 0 H1' DT B 15 7.229 4.935 0.101 1.00 0.00 H new ATOM 0 H3 DT B 15 2.731 5.323 0.055 1.00 0.00 H new ATOM 0 H71 DT B 15 4.272 3.891 -4.907 1.00 0.00 H new ATOM 0 H72 DT B 15 3.261 2.624 -4.173 1.00 0.00 H new ATOM 0 H73 DT B 15 2.576 4.235 -4.493 1.00 0.00 H new ATOM 0 H6 DT B 15 5.949 3.793 -3.180 1.00 0.00 H new ATOM 473 P DA B 16 10.711 2.035 -0.573 1.00 0.00 P ATOM 474 OP1 DA B 16 12.110 2.122 -0.101 1.00 0.00 O ATOM 475 OP2 DA B 16 10.353 1.070 -1.637 1.00 0.00 O ATOM 476 O5' DA B 16 9.769 1.744 0.705 1.00 0.00 O ATOM 477 C5' DA B 16 9.920 2.438 1.934 1.00 0.00 C ATOM 478 C4' DA B 16 8.741 2.156 2.884 1.00 0.00 C ATOM 479 O4' DA B 16 7.552 2.633 2.301 1.00 0.00 O ATOM 480 C3' DA B 16 8.467 0.687 3.148 1.00 0.00 C ATOM 481 O3' DA B 16 9.022 0.228 4.372 1.00 0.00 O ATOM 482 C2' DA B 16 6.999 0.434 2.920 1.00 0.00 C ATOM 483 C1' DA B 16 6.526 1.849 2.871 1.00 0.00 C ATOM 484 N9 DA B 16 5.327 1.960 2.037 1.00 0.00 N ATOM 485 C8 DA B 16 5.297 1.658 0.716 1.00 0.00 C ATOM 486 N7 DA B 16 4.142 1.853 0.142 1.00 0.00 N ATOM 487 C5 DA B 16 3.326 2.253 1.202 1.00 0.00 C ATOM 488 C6 DA B 16 1.955 2.581 1.296 1.00 0.00 C ATOM 489 N6 DA B 16 1.157 2.709 0.228 1.00 0.00 N ATOM 490 N1 DA B 16 1.425 2.773 2.520 1.00 0.00 N ATOM 491 C2 DA B 16 2.218 2.692 3.589 1.00 0.00 C ATOM 492 N3 DA B 16 3.528 2.458 3.630 1.00 0.00 N ATOM 493 C4 DA B 16 4.029 2.244 2.384 1.00 0.00 C ATOM 0 H5' DA B 16 9.988 3.509 1.743 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.854 2.139 2.411 1.00 0.00 H new ATOM 0 H4' DA B 16 9.024 2.642 3.818 1.00 0.00 H new ATOM 0 H3' DA B 16 9.000 0.055 2.437 1.00 0.00 H new ATOM 0 H2' DA B 16 6.803 -0.108 1.995 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.539 -0.136 3.727 1.00 0.00 H new ATOM 0 H1' DA B 16 6.285 2.188 3.878 1.00 0.00 H new ATOM 0 H8 DA B 16 6.159 1.286 0.182 1.00 0.00 H new ATOM 0 H61 DA B 16 0.173 2.948 0.352 1.00 0.00 H new ATOM 0 H62 DA B 16 1.533 2.568 -0.710 1.00 0.00 H new ATOM 0 H2 DA B 16 1.735 2.835 4.545 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.314 -0.989 4.108 1.00 0.00 N HETATM 506 C2 T41 B 17 2.011 -0.580 3.833 1.00 0.00 C HETATM 507 N3 T41 B 17 1.648 -0.558 2.495 1.00 0.00 N HETATM 508 C4 T41 B 17 2.446 -0.905 1.418 1.00 0.00 C HETATM 509 C5 T41 B 17 3.774 -1.343 1.793 1.00 0.00 C HETATM 510 C5M T41 B 17 4.754 -1.800 0.741 1.00 0.00 C HETATM 511 C6 T41 B 17 4.151 -1.365 3.089 1.00 0.00 C HETATM 512 O2 T41 B 17 1.205 -0.250 4.699 1.00 0.00 O HETATM 513 O4 T41 B 17 2.011 -0.826 0.272 1.00 0.00 O HETATM 514 C1' T41 B 17 3.778 -0.973 5.521 1.00 0.00 C HETATM 515 C2' T41 B 17 4.245 -2.263 6.120 1.00 0.00 C HETATM 516 O2' T41 B 17 5.107 -2.975 5.284 1.00 0.00 O HETATM 517 C3' T41 B 17 5.031 -1.806 7.339 1.00 0.00 C HETATM 518 C4' T41 B 17 5.532 -0.422 6.897 1.00 0.00 C HETATM 519 O3' T41 B 17 4.225 -1.618 8.493 1.00 0.00 O HETATM 520 O4' T41 B 17 4.836 -0.057 5.713 1.00 0.00 O HETATM 521 C5' T41 B 17 7.034 -0.382 6.586 1.00 0.00 C HETATM 522 O5' T41 B 17 7.391 -1.306 5.576 1.00 0.00 O HETATM 523 C6' T41 B 17 4.698 -4.299 5.334 1.00 0.00 C HETATM 524 P T41 B 17 8.862 -1.293 4.907 1.00 0.00 P HETATM 525 O1P T41 B 17 9.854 -1.504 5.984 1.00 0.00 O HETATM 526 O2P T41 B 17 8.842 -2.201 3.738 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.341 -2.655 0.206 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.939 -0.987 0.038 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.691 -2.088 1.217 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.312 0.624 6.272 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.598 -0.600 7.493 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.406 -2.929 6.321 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.160 -1.695 3.335 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.351 0.262 7.726 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.789 -2.538 7.616 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.697 -0.256 2.283 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.763 -4.661 6.360 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.668 -4.375 4.987 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.342 -4.903 4.695 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.855 -0.697 6.031 1.00 0.00 H new ATOM 541 P DA B 18 3.556 -2.837 9.316 1.00 0.00 P ATOM 542 OP1 DA B 18 3.500 -2.446 10.743 1.00 0.00 O ATOM 543 OP2 DA B 18 4.232 -4.095 8.930 1.00 0.00 O ATOM 544 O5' DA B 18 2.047 -2.882 8.746 1.00 0.00 O ATOM 545 C5' DA B 18 1.068 -1.937 9.147 1.00 0.00 C ATOM 546 C4' DA B 18 -0.283 -2.299 8.521 1.00 0.00 C ATOM 547 O4' DA B 18 -0.150 -2.184 7.125 1.00 0.00 O ATOM 548 C3' DA B 18 -0.703 -3.740 8.841 1.00 0.00 C ATOM 549 O3' DA B 18 -1.927 -3.691 9.557 1.00 0.00 O ATOM 550 C2' DA B 18 -0.831 -4.347 7.444 1.00 0.00 C ATOM 551 C1' DA B 18 -1.020 -3.136 6.567 1.00 0.00 C ATOM 552 N9 DA B 18 -0.563 -3.327 5.175 1.00 0.00 N ATOM 553 C8 DA B 18 0.716 -3.617 4.771 1.00 0.00 C ATOM 554 N7 DA B 18 0.895 -3.593 3.483 1.00 0.00 N ATOM 555 C5 DA B 18 -0.359 -3.253 2.994 1.00 0.00 C ATOM 556 C6 DA B 18 -0.834 -3.015 1.692 1.00 0.00 C ATOM 557 N6 DA B 18 -0.065 -3.043 0.598 1.00 0.00 N ATOM 558 N1 DA B 18 -2.120 -2.673 1.546 1.00 0.00 N ATOM 559 C2 DA B 18 -2.919 -2.567 2.599 1.00 0.00 C ATOM 560 N3 DA B 18 -2.589 -2.756 3.879 1.00 0.00 N ATOM 561 C4 DA B 18 -1.271 -3.103 4.014 1.00 0.00 C ATOM 0 H5' DA B 18 1.367 -0.935 8.838 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.985 -1.924 10.234 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.041 -1.629 8.926 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.024 -4.322 9.465 1.00 0.00 H new ATOM 0 H2' DA B 18 0.059 -4.912 7.166 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.677 -5.031 7.377 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.079 -2.880 6.530 1.00 0.00 H new ATOM 0 H8 DA B 18 1.510 -3.847 5.466 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.475 -2.861 -0.318 1.00 0.00 H new ATOM 0 H62 DA B 18 0.931 -3.247 0.680 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.946 -2.299 2.400 1.00 0.00 H new ATOM 573 P DT B 19 -2.763 -5.013 9.963 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.562 -4.704 11.169 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.848 -6.176 9.961 1.00 0.00 O ATOM 576 O5' DT B 19 -3.771 -5.159 8.713 1.00 0.00 O ATOM 577 C5' DT B 19 -4.730 -4.157 8.427 1.00 0.00 C ATOM 578 C4' DT B 19 -5.552 -4.526 7.188 1.00 0.00 C ATOM 579 O4' DT B 19 -4.681 -4.454 6.072 1.00 0.00 O ATOM 580 C3' DT B 19 -6.113 -5.956 7.261 1.00 0.00 C ATOM 581 O3' DT B 19 -7.505 -5.922 6.984 1.00 0.00 O ATOM 582 C2' DT B 19 -5.327 -6.680 6.168 1.00 0.00 C ATOM 583 C1' DT B 19 -4.982 -5.547 5.232 1.00 0.00 C ATOM 584 N1 DT B 19 -3.867 -5.802 4.299 1.00 0.00 N ATOM 585 C2 DT B 19 -4.029 -5.659 2.924 1.00 0.00 C ATOM 586 O2 DT B 19 -5.090 -5.342 2.393 1.00 0.00 O ATOM 587 N3 DT B 19 -2.894 -5.901 2.162 1.00 0.00 N ATOM 588 C4 DT B 19 -1.647 -6.278 2.639 1.00 0.00 C ATOM 589 O4 DT B 19 -0.715 -6.447 1.857 1.00 0.00 O ATOM 590 C5 DT B 19 -1.584 -6.433 4.082 1.00 0.00 C ATOM 591 C7 DT B 19 -0.298 -6.899 4.733 1.00 0.00 C ATOM 592 C6 DT B 19 -2.683 -6.180 4.834 1.00 0.00 C ATOM 0 H5' DT B 19 -4.228 -3.203 8.265 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.393 -4.027 9.283 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.396 -3.841 7.114 1.00 0.00 H new ATOM 0 H3' DT B 19 -6.010 -6.442 8.231 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.437 -7.170 6.562 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.923 -7.449 5.677 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.828 -5.377 4.566 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.986 -5.791 1.152 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.223 -6.476 5.735 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.297 -7.987 4.798 1.00 0.00 H new ATOM 0 H73 DT B 19 0.552 -6.570 4.136 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.611 -6.285 5.906 1.00 0.00 H new ATOM 605 P DG B 20 -8.424 -7.254 6.992 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.777 -6.875 7.457 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.687 -8.333 7.686 1.00 0.00 O ATOM 608 O5' DG B 20 -8.517 -7.641 5.426 1.00 0.00 O ATOM 609 C5' DG B 20 -9.275 -6.860 4.522 1.00 0.00 C ATOM 610 C4' DG B 20 -9.340 -7.503 3.131 1.00 0.00 C ATOM 611 O4' DG B 20 -8.061 -7.422 2.522 1.00 0.00 O ATOM 612 C3' DG B 20 -9.720 -8.989 3.182 1.00 0.00 C ATOM 613 O3' DG B 20 -10.672 -9.183 2.149 1.00 0.00 O ATOM 614 C2' DG B 20 -8.374 -9.671 2.934 1.00 0.00 C ATOM 615 C1' DG B 20 -7.759 -8.684 1.956 1.00 0.00 C ATOM 616 N9 DG B 20 -6.292 -8.751 1.824 1.00 0.00 N ATOM 617 C8 DG B 20 -5.367 -8.935 2.810 1.00 0.00 C ATOM 618 N7 DG B 20 -4.129 -8.894 2.403 1.00 0.00 N ATOM 619 C5 DG B 20 -4.242 -8.683 1.031 1.00 0.00 C ATOM 620 C6 DG B 20 -3.232 -8.599 0.026 1.00 0.00 C ATOM 621 O6 DG B 20 -2.015 -8.578 0.180 1.00 0.00 O ATOM 622 N1 DG B 20 -3.761 -8.536 -1.262 1.00 0.00 N ATOM 623 C2 DG B 20 -5.115 -8.503 -1.546 1.00 0.00 C ATOM 624 N2 DG B 20 -5.476 -8.461 -2.831 1.00 0.00 N ATOM 625 N3 DG B 20 -6.065 -8.521 -0.598 1.00 0.00 N ATOM 626 C4 DG B 20 -5.566 -8.621 0.664 1.00 0.00 C ATOM 0 H5' DG B 20 -8.835 -5.866 4.443 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.285 -6.732 4.911 1.00 0.00 H new ATOM 0 H4' DG B 20 -10.104 -6.963 2.571 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.172 -9.371 4.097 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.786 -9.777 3.845 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.484 -10.668 2.507 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.152 -8.889 0.960 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.638 -9.101 3.842 1.00 0.00 H new ATOM 0 H1 DG B 20 -3.108 -8.513 -2.045 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.464 -8.436 -3.083 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.764 -8.454 -3.561 1.00 0.00 H new ATOM 638 P DC B 21 -11.253 -10.623 1.705 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.703 -10.476 1.448 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.773 -11.661 2.645 1.00 0.00 O ATOM 641 O5' DC B 21 -10.506 -10.822 0.288 1.00 0.00 O ATOM 642 C5' DC B 21 -10.696 -9.891 -0.763 1.00 0.00 C ATOM 643 C4' DC B 21 -10.022 -10.337 -2.066 1.00 0.00 C ATOM 644 O4' DC B 21 -8.620 -10.263 -1.863 1.00 0.00 O ATOM 645 C3' DC B 21 -10.368 -11.783 -2.446 1.00 0.00 C ATOM 646 O3' DC B 21 -10.573 -11.820 -3.851 1.00 0.00 O ATOM 647 C2' DC B 21 -9.111 -12.526 -1.993 1.00 0.00 C ATOM 648 C1' DC B 21 -8.036 -11.482 -2.279 1.00 0.00 C ATOM 649 N1 DC B 21 -6.817 -11.677 -1.450 1.00 0.00 N ATOM 650 C2 DC B 21 -5.565 -11.742 -2.066 1.00 0.00 C ATOM 651 O2 DC B 21 -5.455 -11.755 -3.289 1.00 0.00 O ATOM 652 N3 DC B 21 -4.452 -11.793 -1.277 1.00 0.00 N ATOM 653 C4 DC B 21 -4.552 -11.808 0.061 1.00 0.00 C ATOM 654 N4 DC B 21 -3.435 -11.840 0.792 1.00 0.00 N ATOM 655 C5 DC B 21 -5.828 -11.740 0.712 1.00 0.00 C ATOM 656 C6 DC B 21 -6.921 -11.674 -0.081 1.00 0.00 C ATOM 0 H5' DC B 21 -10.297 -8.922 -0.463 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.764 -9.756 -0.937 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.371 -9.690 -2.871 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.267 -12.211 -2.003 1.00 0.00 H new ATOM 0 H2' DC B 21 -9.151 -12.799 -0.938 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.951 -13.447 -2.554 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.736 -11.529 -3.326 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.492 -11.852 1.810 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.525 -11.853 0.332 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.912 -11.741 1.789 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.899 -11.618 0.373 1.00 0.00 H new ATOM 668 P DG B 22 -10.846 -13.190 -4.661 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.578 -12.864 -5.905 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.391 -14.198 -3.724 1.00 0.00 O ATOM 671 O5' DG B 22 -9.344 -13.610 -5.061 1.00 0.00 O ATOM 672 C5' DG B 22 -8.992 -14.949 -5.340 1.00 0.00 C ATOM 673 C4' DG B 22 -7.496 -14.994 -5.657 1.00 0.00 C ATOM 674 O4' DG B 22 -6.802 -14.522 -4.518 1.00 0.00 O ATOM 675 C3' DG B 22 -6.997 -16.424 -5.902 1.00 0.00 C ATOM 676 O3' DG B 22 -6.546 -16.565 -7.232 1.00 0.00 O ATOM 677 C2' DG B 22 -5.831 -16.572 -4.928 1.00 0.00 C ATOM 678 C1' DG B 22 -5.534 -15.135 -4.540 1.00 0.00 C ATOM 679 N9 DG B 22 -4.921 -15.019 -3.200 1.00 0.00 N ATOM 680 C8 DG B 22 -5.521 -15.080 -1.966 1.00 0.00 C ATOM 681 N7 DG B 22 -4.697 -14.936 -0.966 1.00 0.00 N ATOM 682 C5 DG B 22 -3.458 -14.764 -1.576 1.00 0.00 C ATOM 683 C6 DG B 22 -2.172 -14.531 -1.001 1.00 0.00 C ATOM 684 O6 DG B 22 -1.884 -14.413 0.186 1.00 0.00 O ATOM 685 N1 DG B 22 -1.168 -14.435 -1.962 1.00 0.00 N ATOM 686 C2 DG B 22 -1.379 -14.542 -3.325 1.00 0.00 C ATOM 687 N2 DG B 22 -0.315 -14.415 -4.124 1.00 0.00 N ATOM 688 N3 DG B 22 -2.591 -14.732 -3.868 1.00 0.00 N ATOM 689 C4 DG B 22 -3.585 -14.831 -2.943 1.00 0.00 C ATOM 0 H5' DG B 22 -9.571 -15.326 -6.183 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.219 -15.588 -4.486 1.00 0.00 H new ATOM 0 H4' DG B 22 -7.326 -14.396 -6.552 1.00 0.00 H new ATOM 0 H3' DG B 22 -7.772 -17.176 -5.754 1.00 0.00 H new ATOM 0 H2' DG B 22 -6.101 -17.177 -4.063 1.00 0.00 H new ATOM 0 H2'' DG B 22 -4.971 -17.051 -5.396 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.229 -17.481 -7.374 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.825 -14.684 -5.234 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.582 -15.234 -1.836 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.214 -14.275 -1.639 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.425 -14.487 -5.135 1.00 0.00 H new ATOM 0 H22 DG B 22 0.607 -14.246 -3.722 1.00 0.00 H new TER 702 DG B 22