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 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.31 (180deg=-1.31) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.616 (180deg=-1.04) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 28:sc= 0.0171 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.363 (180deg=-0.363) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.597 -14.044 0.258 1.00 0.00 O ATOM 2 C5' DC A 1 7.918 -14.984 -0.747 1.00 0.00 C ATOM 3 C4' DC A 1 7.013 -14.824 -1.976 1.00 0.00 C ATOM 4 O4' DC A 1 5.679 -15.030 -1.542 1.00 0.00 O ATOM 5 C3' DC A 1 7.092 -13.416 -2.584 1.00 0.00 C ATOM 6 O3' DC A 1 7.173 -13.536 -3.994 1.00 0.00 O ATOM 7 C2' DC A 1 5.772 -12.795 -2.134 1.00 0.00 C ATOM 8 C1' DC A 1 4.869 -14.025 -2.121 1.00 0.00 C ATOM 9 N1 DC A 1 3.660 -13.850 -1.268 1.00 0.00 N ATOM 10 C2 DC A 1 2.398 -13.886 -1.866 1.00 0.00 C ATOM 11 O2 DC A 1 2.272 -13.992 -3.084 1.00 0.00 O ATOM 12 N3 DC A 1 1.294 -13.800 -1.069 1.00 0.00 N ATOM 13 C4 DC A 1 1.407 -13.643 0.258 1.00 0.00 C ATOM 14 N4 DC A 1 0.295 -13.568 0.996 1.00 0.00 N ATOM 15 C5 DC A 1 2.693 -13.580 0.894 1.00 0.00 C ATOM 16 C6 DC A 1 3.779 -13.692 0.093 1.00 0.00 C ATOM 0 H5' DC A 1 7.817 -15.993 -0.348 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.960 -14.861 -1.043 1.00 0.00 H new ATOM 0 H4' DC A 1 7.333 -15.537 -2.736 1.00 0.00 H new ATOM 0 H3' DC A 1 7.952 -12.820 -2.279 1.00 0.00 H new ATOM 0 H2' DC A 1 5.848 -12.328 -1.152 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.418 -12.030 -2.825 1.00 0.00 H new ATOM 0 HO5' DC A 1 8.190 -14.173 1.028 1.00 0.00 H new ATOM 0 H1' DC A 1 4.505 -14.245 -3.125 1.00 0.00 H new ATOM 0 H41 DC A 1 0.361 -13.449 2.007 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.619 -13.630 0.548 1.00 0.00 H new ATOM 0 H5 DC A 1 2.789 -13.449 1.962 1.00 0.00 H new ATOM 0 H6 DC A 1 4.764 -13.656 0.534 1.00 0.00 H new ATOM 29 P DG A 2 7.385 -12.256 -4.959 1.00 0.00 P ATOM 30 OP1 DG A 2 8.156 -12.699 -6.142 1.00 0.00 O ATOM 31 OP2 DG A 2 7.885 -11.131 -4.139 1.00 0.00 O ATOM 32 O5' DG A 2 5.886 -11.893 -5.437 1.00 0.00 O ATOM 33 C5' DG A 2 5.218 -12.655 -6.427 1.00 0.00 C ATOM 34 C4' DG A 2 3.878 -12.009 -6.801 1.00 0.00 C ATOM 35 O4' DG A 2 3.001 -12.128 -5.693 1.00 0.00 O ATOM 36 C3' DG A 2 4.023 -10.514 -7.126 1.00 0.00 C ATOM 37 O3' DG A 2 3.227 -10.272 -8.275 1.00 0.00 O ATOM 38 C2' DG A 2 3.459 -9.887 -5.851 1.00 0.00 C ATOM 39 C1' DG A 2 2.383 -10.872 -5.512 1.00 0.00 C ATOM 40 N9 DG A 2 1.832 -10.797 -4.146 1.00 0.00 N ATOM 41 C8 DG A 2 2.483 -10.540 -2.970 1.00 0.00 C ATOM 42 N7 DG A 2 1.735 -10.663 -1.909 1.00 0.00 N ATOM 43 C5 DG A 2 0.483 -10.991 -2.423 1.00 0.00 C ATOM 44 C6 DG A 2 -0.758 -11.222 -1.755 1.00 0.00 C ATOM 45 O6 DG A 2 -0.963 -11.294 -0.547 1.00 0.00 O ATOM 46 N1 DG A 2 -1.822 -11.374 -2.641 1.00 0.00 N ATOM 47 C2 DG A 2 -1.698 -11.354 -4.018 1.00 0.00 C ATOM 48 N2 DG A 2 -2.812 -11.503 -4.741 1.00 0.00 N ATOM 49 N3 DG A 2 -0.523 -11.198 -4.648 1.00 0.00 N ATOM 50 C4 DG A 2 0.523 -11.016 -3.796 1.00 0.00 C ATOM 0 H5' DG A 2 5.049 -13.667 -6.060 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.847 -12.738 -7.314 1.00 0.00 H new ATOM 0 H4' DG A 2 3.498 -12.518 -7.687 1.00 0.00 H new ATOM 0 H3' DG A 2 5.018 -10.133 -7.355 1.00 0.00 H new ATOM 0 H2' DG A 2 4.208 -9.805 -5.064 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.065 -8.885 -6.022 1.00 0.00 H new ATOM 0 H1' DG A 2 1.518 -10.672 -6.144 1.00 0.00 H new ATOM 0 H8 DG A 2 3.525 -10.260 -2.925 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.754 -11.509 -2.248 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.764 -11.494 -5.760 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.710 -11.626 -4.274 1.00 0.00 H new ATOM 62 P DC A 3 2.971 -8.806 -8.903 1.00 0.00 P ATOM 63 OP1 DC A 3 3.173 -8.891 -10.367 1.00 0.00 O ATOM 64 OP2 DC A 3 3.716 -7.798 -8.117 1.00 0.00 O ATOM 65 O5' DC A 3 1.393 -8.612 -8.619 1.00 0.00 O ATOM 66 C5' DC A 3 0.437 -9.467 -9.223 1.00 0.00 C ATOM 67 C4' DC A 3 -1.000 -9.022 -8.928 1.00 0.00 C ATOM 68 O4' DC A 3 -1.225 -9.146 -7.533 1.00 0.00 O ATOM 69 C3' DC A 3 -1.235 -7.558 -9.313 1.00 0.00 C ATOM 70 O3' DC A 3 -2.525 -7.480 -9.900 1.00 0.00 O ATOM 71 C2' DC A 3 -1.154 -6.854 -7.960 1.00 0.00 C ATOM 72 C1' DC A 3 -1.728 -7.922 -7.027 1.00 0.00 C ATOM 73 N1 DC A 3 -1.255 -7.856 -5.615 1.00 0.00 N ATOM 74 C2 DC A 3 -2.160 -8.127 -4.583 1.00 0.00 C ATOM 75 O2 DC A 3 -3.346 -8.348 -4.815 1.00 0.00 O ATOM 76 N3 DC A 3 -1.703 -8.142 -3.296 1.00 0.00 N ATOM 77 C4 DC A 3 -0.410 -7.916 -3.021 1.00 0.00 C ATOM 78 N4 DC A 3 -0.007 -7.938 -1.748 1.00 0.00 N ATOM 79 C5 DC A 3 0.548 -7.706 -4.067 1.00 0.00 C ATOM 80 C6 DC A 3 0.079 -7.687 -5.336 1.00 0.00 C ATOM 0 H5' DC A 3 0.582 -10.485 -8.862 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.597 -9.485 -10.301 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.676 -9.647 -9.512 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.539 -7.122 -10.030 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.131 -6.587 -7.697 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.739 -5.934 -7.940 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.811 -7.796 -7.007 1.00 0.00 H new ATOM 0 H41 DC A 3 0.973 -7.768 -1.520 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.679 -8.124 -1.004 1.00 0.00 H new ATOM 0 H5 DC A 3 1.597 -7.569 -3.851 1.00 0.00 H new ATOM 0 H6 DC A 3 0.772 -7.535 -6.151 1.00 0.00 H new ATOM 92 P DA A 4 -3.181 -6.091 -10.401 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.137 -6.397 -11.488 1.00 0.00 O ATOM 94 OP2 DA A 4 -2.096 -5.110 -10.629 1.00 0.00 O ATOM 95 O5' DA A 4 -4.021 -5.626 -9.103 1.00 0.00 O ATOM 96 C5' DA A 4 -5.220 -6.280 -8.735 1.00 0.00 C ATOM 97 C4' DA A 4 -5.779 -5.678 -7.445 1.00 0.00 C ATOM 98 O4' DA A 4 -5.004 -6.048 -6.329 1.00 0.00 O ATOM 99 C3' DA A 4 -5.979 -4.162 -7.473 1.00 0.00 C ATOM 100 O3' DA A 4 -7.353 -3.831 -7.300 1.00 0.00 O ATOM 101 C2' DA A 4 -5.139 -3.843 -6.279 1.00 0.00 C ATOM 102 C1' DA A 4 -5.241 -5.040 -5.377 1.00 0.00 C ATOM 103 N9 DA A 4 -4.131 -5.090 -4.431 1.00 0.00 N ATOM 104 C8 DA A 4 -2.825 -4.997 -4.773 1.00 0.00 C ATOM 105 N7 DA A 4 -1.993 -5.053 -3.772 1.00 0.00 N ATOM 106 C5 DA A 4 -2.839 -5.214 -2.676 1.00 0.00 C ATOM 107 C6 DA A 4 -2.604 -5.360 -1.295 1.00 0.00 C ATOM 108 N6 DA A 4 -1.376 -5.391 -0.770 1.00 0.00 N ATOM 109 N1 DA A 4 -3.665 -5.481 -0.475 1.00 0.00 N ATOM 110 C2 DA A 4 -4.892 -5.470 -0.990 1.00 0.00 C ATOM 111 N3 DA A 4 -5.246 -5.355 -2.267 1.00 0.00 N ATOM 112 C4 DA A 4 -4.155 -5.233 -3.069 1.00 0.00 C ATOM 0 H5' DA A 4 -5.033 -7.345 -8.596 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.954 -6.187 -9.536 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.778 -6.104 -7.357 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.714 -3.631 -8.387 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.104 -3.657 -6.567 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.497 -2.944 -5.778 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.162 -5.082 -4.796 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.498 -4.885 -5.796 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.254 -5.499 0.237 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.560 -5.307 -1.376 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.702 -5.567 -0.282 1.00 0.00 H new ATOM 124 P DT A 5 -7.878 -2.309 -7.086 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.267 -2.232 -7.591 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.854 -1.383 -7.617 1.00 0.00 O ATOM 127 O5' DT A 5 -7.919 -2.136 -5.474 1.00 0.00 O ATOM 128 C5' DT A 5 -8.887 -2.813 -4.692 1.00 0.00 C ATOM 129 C4' DT A 5 -8.738 -2.536 -3.190 1.00 0.00 C ATOM 130 O4' DT A 5 -7.502 -3.012 -2.726 1.00 0.00 O ATOM 131 C3' DT A 5 -8.890 -1.069 -2.763 1.00 0.00 C ATOM 132 O3' DT A 5 -10.003 -0.993 -1.882 1.00 0.00 O ATOM 133 C2' DT A 5 -7.572 -0.778 -2.056 1.00 0.00 C ATOM 134 C1' DT A 5 -7.094 -2.171 -1.666 1.00 0.00 C ATOM 135 N1 DT A 5 -5.622 -2.202 -1.719 1.00 0.00 N ATOM 136 C2 DT A 5 -4.903 -2.338 -0.543 1.00 0.00 C ATOM 137 O2 DT A 5 -5.423 -2.629 0.530 1.00 0.00 O ATOM 138 N3 DT A 5 -3.539 -2.120 -0.649 1.00 0.00 N ATOM 139 C4 DT A 5 -2.826 -1.975 -1.829 1.00 0.00 C ATOM 140 O4 DT A 5 -1.597 -1.937 -1.795 1.00 0.00 O ATOM 141 C5 DT A 5 -3.656 -1.877 -3.023 1.00 0.00 C ATOM 142 C7 DT A 5 -2.990 -1.670 -4.371 1.00 0.00 C ATOM 143 C6 DT A 5 -5.011 -1.972 -2.923 1.00 0.00 C ATOM 0 H5' DT A 5 -8.805 -3.885 -4.869 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.884 -2.512 -5.015 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.575 -3.069 -2.738 1.00 0.00 H new ATOM 0 H3' DT A 5 -9.071 -0.358 -3.569 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.862 -0.274 -2.712 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.711 -0.138 -1.185 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.469 -2.453 -0.682 1.00 0.00 H new ATOM 0 H3 DT A 5 -3.011 -2.061 0.221 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.598 -2.128 -5.151 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.891 -0.602 -4.568 1.00 0.00 H new ATOM 0 H73 DT A 5 -2.002 -2.130 -4.363 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.616 -1.864 -3.811 1.00 0.00 H new ATOM 156 P DA A 6 -10.466 0.369 -1.140 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.853 0.176 -0.661 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.151 1.510 -2.029 1.00 0.00 O ATOM 159 O5' DA A 6 -9.499 0.460 0.155 1.00 0.00 O ATOM 160 C5' DA A 6 -9.538 -0.500 1.196 1.00 0.00 C ATOM 161 C4' DA A 6 -8.526 -0.165 2.306 1.00 0.00 C ATOM 162 O4' DA A 6 -7.242 -0.620 1.914 1.00 0.00 O ATOM 163 C3' DA A 6 -8.412 1.336 2.638 1.00 0.00 C ATOM 164 O3' DA A 6 -9.065 1.617 3.865 1.00 0.00 O ATOM 165 C2' DA A 6 -6.912 1.456 2.702 1.00 0.00 C ATOM 166 C1' DA A 6 -6.303 0.098 2.689 1.00 0.00 C ATOM 167 N9 DA A 6 -5.036 0.215 1.934 1.00 0.00 N ATOM 168 C8 DA A 6 -4.932 0.453 0.601 1.00 0.00 C ATOM 169 N7 DA A 6 -3.736 0.617 0.130 1.00 0.00 N ATOM 170 C5 DA A 6 -2.967 0.470 1.267 1.00 0.00 C ATOM 171 C6 DA A 6 -1.580 0.403 1.454 1.00 0.00 C ATOM 172 N6 DA A 6 -0.729 0.372 0.424 1.00 0.00 N ATOM 173 N1 DA A 6 -1.122 0.288 2.710 1.00 0.00 N ATOM 174 C2 DA A 6 -1.999 0.238 3.711 1.00 0.00 C ATOM 175 N3 DA A 6 -3.325 0.251 3.669 1.00 0.00 N ATOM 176 C4 DA A 6 -3.753 0.351 2.390 1.00 0.00 C ATOM 0 H5' DA A 6 -9.322 -1.488 0.790 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.542 -0.542 1.617 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.895 -0.663 3.202 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.876 2.035 1.942 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.547 2.038 1.856 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.618 1.989 3.606 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.102 -0.350 3.662 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.803 0.503 -0.035 1.00 0.00 H new ATOM 0 H61 DA A 6 0.276 0.323 0.594 1.00 0.00 H new ATOM 0 H62 DA A 6 -1.084 0.397 -0.532 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.569 0.178 4.700 1.00 0.00 H new ATOM 188 P DT A 7 -9.071 3.088 4.546 1.00 0.00 P ATOM 189 OP1 DT A 7 -10.064 3.076 5.643 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.178 4.100 3.472 1.00 0.00 O ATOM 191 O5' DT A 7 -7.604 3.215 5.206 1.00 0.00 O ATOM 192 C5' DT A 7 -7.132 2.267 6.147 1.00 0.00 C ATOM 193 C4' DT A 7 -5.679 2.556 6.543 1.00 0.00 C ATOM 194 O4' DT A 7 -4.860 2.339 5.403 1.00 0.00 O ATOM 195 C3' DT A 7 -5.494 4.012 6.985 1.00 0.00 C ATOM 196 O3' DT A 7 -4.908 4.034 8.276 1.00 0.00 O ATOM 197 C2' DT A 7 -4.567 4.560 5.902 1.00 0.00 C ATOM 198 C1' DT A 7 -3.840 3.317 5.400 1.00 0.00 C ATOM 199 N1 DT A 7 -3.326 3.487 4.023 1.00 0.00 N ATOM 200 C2 DT A 7 -1.958 3.364 3.779 1.00 0.00 C ATOM 201 O2 DT A 7 -1.118 3.215 4.663 1.00 0.00 O ATOM 202 N3 DT A 7 -1.570 3.418 2.450 1.00 0.00 N ATOM 203 C4 DT A 7 -2.408 3.623 1.365 1.00 0.00 C ATOM 204 O4 DT A 7 -1.935 3.636 0.231 1.00 0.00 O ATOM 205 C5 DT A 7 -3.810 3.805 1.718 1.00 0.00 C ATOM 206 C7 DT A 7 -4.847 4.050 0.646 1.00 0.00 C ATOM 207 C6 DT A 7 -4.210 3.732 3.010 1.00 0.00 C ATOM 0 H5' DT A 7 -7.204 1.265 5.725 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.764 2.286 7.035 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.410 1.902 7.373 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.409 4.598 7.074 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.126 5.049 5.104 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.872 5.298 6.303 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.971 3.074 6.012 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.577 3.296 2.252 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.387 4.571 -0.193 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.249 3.096 0.304 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.654 4.659 1.053 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.255 3.871 3.246 1.00 0.00 H new ATOM 220 P DA A 8 -4.666 5.409 9.095 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.660 5.088 10.540 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.593 6.440 8.577 1.00 0.00 O ATOM 223 O5' DA A 8 -3.169 5.817 8.662 1.00 0.00 O ATOM 224 C5' DA A 8 -2.049 5.113 9.160 1.00 0.00 C ATOM 225 C4' DA A 8 -0.755 5.646 8.541 1.00 0.00 C ATOM 226 O4' DA A 8 -0.701 5.301 7.168 1.00 0.00 O ATOM 227 C3' DA A 8 -0.605 7.172 8.643 1.00 0.00 C ATOM 228 O3' DA A 8 0.599 7.470 9.332 1.00 0.00 O ATOM 229 C2' DA A 8 -0.590 7.548 7.187 1.00 0.00 C ATOM 230 C1' DA A 8 0.017 6.343 6.546 1.00 0.00 C ATOM 231 N9 DA A 8 -0.225 6.330 5.097 1.00 0.00 N ATOM 232 C8 DA A 8 -1.412 6.534 4.459 1.00 0.00 C ATOM 233 N7 DA A 8 -1.357 6.423 3.161 1.00 0.00 N ATOM 234 C5 DA A 8 -0.012 6.154 2.924 1.00 0.00 C ATOM 235 C6 DA A 8 0.729 5.897 1.753 1.00 0.00 C ATOM 236 N6 DA A 8 0.170 5.764 0.543 1.00 0.00 N ATOM 237 N1 DA A 8 2.063 5.752 1.869 1.00 0.00 N ATOM 238 C2 DA A 8 2.629 5.818 3.072 1.00 0.00 C ATOM 239 N3 DA A 8 2.039 5.995 4.248 1.00 0.00 N ATOM 240 C4 DA A 8 0.698 6.156 4.101 1.00 0.00 C ATOM 0 H5' DA A 8 -2.153 4.051 8.939 1.00 0.00 H new ATOM 0 H5'' DA A 8 -2.006 5.210 10.245 1.00 0.00 H new ATOM 0 H4' DA A 8 0.055 5.188 9.109 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.374 7.710 9.198 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.593 7.746 6.809 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.002 8.445 7.006 1.00 0.00 H new ATOM 0 H1' DA A 8 1.099 6.284 6.662 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.325 6.769 4.986 1.00 0.00 H new ATOM 0 H61 DA A 8 0.755 5.578 -0.272 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.841 5.848 0.436 1.00 0.00 H new ATOM 0 H2 DA A 8 3.704 5.714 3.094 1.00 0.00 H new ATOM 252 P DG A 9 1.080 8.982 9.651 1.00 0.00 P ATOM 253 OP1 DG A 9 1.510 9.040 11.066 1.00 0.00 O ATOM 254 OP2 DG A 9 0.059 9.932 9.154 1.00 0.00 O ATOM 255 O5' DG A 9 2.386 9.124 8.717 1.00 0.00 O ATOM 256 C5' DG A 9 3.530 8.323 8.937 1.00 0.00 C ATOM 257 C4' DG A 9 4.738 8.799 8.122 1.00 0.00 C ATOM 258 O4' DG A 9 4.482 8.602 6.741 1.00 0.00 O ATOM 259 C3' DG A 9 5.035 10.285 8.325 1.00 0.00 C ATOM 260 O3' DG A 9 6.450 10.388 8.263 1.00 0.00 O ATOM 261 C2' DG A 9 4.283 10.925 7.158 1.00 0.00 C ATOM 262 C1' DG A 9 4.377 9.851 6.076 1.00 0.00 C ATOM 263 N9 DG A 9 3.218 9.703 5.165 1.00 0.00 N ATOM 264 C8 DG A 9 1.882 9.938 5.385 1.00 0.00 C ATOM 265 N7 DG A 9 1.129 9.734 4.338 1.00 0.00 N ATOM 266 C5 DG A 9 2.024 9.333 3.350 1.00 0.00 C ATOM 267 C6 DG A 9 1.805 9.032 1.971 1.00 0.00 C ATOM 268 O6 DG A 9 0.740 9.005 1.363 1.00 0.00 O ATOM 269 N1 DG A 9 2.988 8.742 1.291 1.00 0.00 N ATOM 270 C2 DG A 9 4.234 8.692 1.883 1.00 0.00 C ATOM 271 N2 DG A 9 5.276 8.416 1.092 1.00 0.00 N ATOM 272 N3 DG A 9 4.438 8.955 3.183 1.00 0.00 N ATOM 273 C4 DG A 9 3.299 9.277 3.858 1.00 0.00 C ATOM 0 H5' DG A 9 3.303 7.289 8.676 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.782 8.336 9.997 1.00 0.00 H new ATOM 0 H4' DG A 9 5.596 8.220 8.465 1.00 0.00 H new ATOM 0 H3' DG A 9 4.728 10.761 9.256 1.00 0.00 H new ATOM 0 H2' DG A 9 3.249 11.151 7.417 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.744 11.861 6.842 1.00 0.00 H new ATOM 0 H1' DG A 9 5.222 10.155 5.459 1.00 0.00 H new ATOM 0 H8 DG A 9 1.490 10.262 6.338 1.00 0.00 H new ATOM 0 H1 DG A 9 2.928 8.555 0.290 1.00 0.00 H new ATOM 0 H21 DG A 9 6.216 8.369 1.485 1.00 0.00 H new ATOM 0 H22 DG A 9 5.131 8.253 0.096 1.00 0.00 H new ATOM 285 P DC A 10 7.268 11.773 8.136 1.00 0.00 P ATOM 286 OP1 DC A 10 8.532 11.632 8.893 1.00 0.00 O ATOM 287 OP2 DC A 10 6.363 12.908 8.419 1.00 0.00 O ATOM 288 O5' DC A 10 7.618 11.759 6.559 1.00 0.00 O ATOM 289 C5' DC A 10 8.387 10.705 6.002 1.00 0.00 C ATOM 290 C4' DC A 10 8.719 10.919 4.518 1.00 0.00 C ATOM 291 O4' DC A 10 7.536 10.599 3.821 1.00 0.00 O ATOM 292 C3' DC A 10 9.098 12.359 4.143 1.00 0.00 C ATOM 293 O3' DC A 10 10.503 12.534 4.025 1.00 0.00 O ATOM 294 C2' DC A 10 8.412 12.528 2.795 1.00 0.00 C ATOM 295 C1' DC A 10 7.474 11.353 2.631 1.00 0.00 C ATOM 296 N1 DC A 10 6.067 11.790 2.454 1.00 0.00 N ATOM 297 C2 DC A 10 5.523 11.785 1.171 1.00 0.00 C ATOM 298 O2 DC A 10 6.238 11.598 0.189 1.00 0.00 O ATOM 299 N3 DC A 10 4.180 11.990 1.027 1.00 0.00 N ATOM 300 C4 DC A 10 3.399 12.206 2.097 1.00 0.00 C ATOM 301 N4 DC A 10 2.084 12.365 1.918 1.00 0.00 N ATOM 302 C5 DC A 10 3.952 12.244 3.423 1.00 0.00 C ATOM 303 C6 DC A 10 5.281 12.052 3.547 1.00 0.00 C ATOM 0 H5' DC A 10 7.842 9.768 6.115 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.315 10.604 6.565 1.00 0.00 H new ATOM 0 H4' DC A 10 9.586 10.306 4.274 1.00 0.00 H new ATOM 0 H3' DC A 10 8.796 13.089 4.894 1.00 0.00 H new ATOM 0 H2' DC A 10 7.863 13.469 2.756 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.145 12.553 1.989 1.00 0.00 H new ATOM 0 H1' DC A 10 7.774 10.786 1.750 1.00 0.00 H new ATOM 0 H41 DC A 10 1.476 12.530 2.720 1.00 0.00 H new ATOM 0 H42 DC A 10 1.688 12.321 0.979 1.00 0.00 H new ATOM 0 H5 DC A 10 3.328 12.419 4.286 1.00 0.00 H new ATOM 0 H6 DC A 10 5.735 12.106 4.525 1.00 0.00 H new ATOM 315 P DC A 11 11.166 13.968 3.643 1.00 0.00 P ATOM 316 OP1 DC A 11 12.627 13.862 3.853 1.00 0.00 O ATOM 317 OP2 DC A 11 10.405 15.029 4.337 1.00 0.00 O ATOM 318 O5' DC A 11 10.907 14.139 2.053 1.00 0.00 O ATOM 319 C5' DC A 11 11.622 13.377 1.098 1.00 0.00 C ATOM 320 C4' DC A 11 11.067 13.582 -0.319 1.00 0.00 C ATOM 321 O4' DC A 11 9.723 13.167 -0.383 1.00 0.00 O ATOM 322 C3' DC A 11 11.143 15.010 -0.854 1.00 0.00 C ATOM 323 O3' DC A 11 12.377 15.245 -1.498 1.00 0.00 O ATOM 324 C2' DC A 11 9.993 15.012 -1.861 1.00 0.00 C ATOM 325 C1' DC A 11 9.077 13.848 -1.446 1.00 0.00 C ATOM 326 N1 DC A 11 7.795 14.330 -0.868 1.00 0.00 N ATOM 327 C2 DC A 11 6.600 14.160 -1.570 1.00 0.00 C ATOM 328 O2 DC A 11 6.585 13.689 -2.706 1.00 0.00 O ATOM 329 N3 DC A 11 5.435 14.535 -0.963 1.00 0.00 N ATOM 330 C4 DC A 11 5.431 15.063 0.271 1.00 0.00 C ATOM 331 N4 DC A 11 4.260 15.372 0.836 1.00 0.00 N ATOM 332 C5 DC A 11 6.652 15.275 0.994 1.00 0.00 C ATOM 333 C6 DC A 11 7.796 14.892 0.381 1.00 0.00 C ATOM 0 H5' DC A 11 11.569 12.321 1.361 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.675 13.659 1.121 1.00 0.00 H new ATOM 0 H4' DC A 11 11.717 12.975 -0.949 1.00 0.00 H new ATOM 0 H3' DC A 11 11.071 15.781 -0.086 1.00 0.00 H new ATOM 0 H2' DC A 11 9.456 15.960 -1.840 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.362 14.877 -2.878 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.401 16.165 -1.833 1.00 0.00 H new ATOM 0 H1' DC A 11 8.885 13.238 -2.329 1.00 0.00 H new ATOM 0 H41 DC A 11 4.236 15.774 1.773 1.00 0.00 H new ATOM 0 H42 DC A 11 3.390 15.206 0.330 1.00 0.00 H new ATOM 0 H5 DC A 11 6.658 15.718 1.979 1.00 0.00 H new ATOM 0 H6 DC A 11 8.737 15.034 0.891 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -4.473 15.150 -5.875 1.00 0.00 O ATOM 348 C5' DG B 12 -3.849 15.828 -6.946 1.00 0.00 C ATOM 349 C4' DG B 12 -2.461 15.241 -7.221 1.00 0.00 C ATOM 350 O4' DG B 12 -1.695 15.399 -6.041 1.00 0.00 O ATOM 351 C3' DG B 12 -2.512 13.741 -7.547 1.00 0.00 C ATOM 352 O3' DG B 12 -1.793 13.533 -8.752 1.00 0.00 O ATOM 353 C2' DG B 12 -1.825 13.114 -6.333 1.00 0.00 C ATOM 354 C1' DG B 12 -0.909 14.238 -5.888 1.00 0.00 C ATOM 355 N9 DG B 12 -0.522 14.156 -4.461 1.00 0.00 N ATOM 356 C8 DG B 12 -1.334 14.203 -3.355 1.00 0.00 C ATOM 357 N7 DG B 12 -0.692 14.251 -2.222 1.00 0.00 N ATOM 358 C5 DG B 12 0.645 14.223 -2.597 1.00 0.00 C ATOM 359 C6 DG B 12 1.822 14.260 -1.790 1.00 0.00 C ATOM 360 O6 DG B 12 1.900 14.339 -0.567 1.00 0.00 O ATOM 361 N1 DG B 12 2.987 14.192 -2.549 1.00 0.00 N ATOM 362 C2 DG B 12 3.018 14.085 -3.928 1.00 0.00 C ATOM 363 N2 DG B 12 4.220 13.975 -4.502 1.00 0.00 N ATOM 364 N3 DG B 12 1.912 14.065 -4.689 1.00 0.00 N ATOM 365 C4 DG B 12 0.761 14.137 -3.965 1.00 0.00 C ATOM 0 H5' DG B 12 -3.761 16.888 -6.710 1.00 0.00 H new ATOM 0 H5'' DG B 12 -4.466 15.751 -7.841 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.034 15.758 -8.080 1.00 0.00 H new ATOM 0 H3' DG B 12 -3.505 13.319 -7.704 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.538 12.835 -5.557 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.271 12.213 -6.596 1.00 0.00 H new ATOM 0 HO5' DG B 12 -3.789 14.786 -5.275 1.00 0.00 H new ATOM 0 H1' DG B 12 0.015 14.211 -6.465 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.412 14.200 -3.418 1.00 0.00 H new ATOM 0 H1 DG B 12 3.879 14.223 -2.055 1.00 0.00 H new ATOM 0 H21 DG B 12 4.295 13.893 -5.516 1.00 0.00 H new ATOM 0 H22 DG B 12 5.062 13.973 -3.926 1.00 0.00 H new ATOM 378 P DG B 13 -1.747 12.103 -9.505 1.00 0.00 P ATOM 379 OP1 DG B 13 -1.400 12.344 -10.923 1.00 0.00 O ATOM 380 OP2 DG B 13 -2.979 11.356 -9.168 1.00 0.00 O ATOM 381 O5' DG B 13 -0.504 11.360 -8.801 1.00 0.00 O ATOM 382 C5' DG B 13 0.833 11.748 -9.052 1.00 0.00 C ATOM 383 C4' DG B 13 1.802 10.906 -8.215 1.00 0.00 C ATOM 384 O4' DG B 13 1.610 11.258 -6.854 1.00 0.00 O ATOM 385 C3' DG B 13 1.494 9.405 -8.340 1.00 0.00 C ATOM 386 O3' DG B 13 2.674 8.637 -8.221 1.00 0.00 O ATOM 387 C2' DG B 13 0.712 9.124 -7.062 1.00 0.00 C ATOM 388 C1' DG B 13 1.432 10.065 -6.117 1.00 0.00 C ATOM 389 N9 DG B 13 0.807 10.396 -4.819 1.00 0.00 N ATOM 390 C8 DG B 13 -0.506 10.406 -4.424 1.00 0.00 C ATOM 391 N7 DG B 13 -0.676 10.683 -3.159 1.00 0.00 N ATOM 392 C5 DG B 13 0.616 10.871 -2.675 1.00 0.00 C ATOM 393 C6 DG B 13 1.090 11.168 -1.358 1.00 0.00 C ATOM 394 O6 DG B 13 0.433 11.366 -0.340 1.00 0.00 O ATOM 395 N1 DG B 13 2.482 11.227 -1.292 1.00 0.00 N ATOM 396 C2 DG B 13 3.321 11.073 -2.379 1.00 0.00 C ATOM 397 N2 DG B 13 4.632 11.214 -2.176 1.00 0.00 N ATOM 398 N3 DG B 13 2.878 10.816 -3.616 1.00 0.00 N ATOM 399 C4 DG B 13 1.524 10.720 -3.694 1.00 0.00 C ATOM 0 H5' DG B 13 0.962 12.804 -8.815 1.00 0.00 H new ATOM 0 H5'' DG B 13 1.060 11.629 -10.111 1.00 0.00 H new ATOM 0 H4' DG B 13 2.818 11.094 -8.563 1.00 0.00 H new ATOM 0 H3' DG B 13 1.002 9.171 -9.284 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.348 9.358 -7.159 1.00 0.00 H new ATOM 0 H2'' DG B 13 0.781 8.082 -6.749 1.00 0.00 H new ATOM 0 H1' DG B 13 2.336 9.542 -5.805 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.325 10.203 -5.098 1.00 0.00 H new ATOM 0 H1 DG B 13 2.909 11.395 -0.381 1.00 0.00 H new ATOM 0 H21 DG B 13 5.283 11.108 -2.954 1.00 0.00 H new ATOM 0 H22 DG B 13 4.983 11.428 -1.243 1.00 0.00 H new ATOM 411 P DC B 14 3.683 8.356 -9.438 1.00 0.00 P ATOM 412 OP1 DC B 14 3.972 9.620 -10.152 1.00 0.00 O ATOM 413 OP2 DC B 14 3.204 7.170 -10.181 1.00 0.00 O ATOM 414 O5' DC B 14 4.968 7.939 -8.562 1.00 0.00 O ATOM 415 C5' DC B 14 5.821 8.909 -7.983 1.00 0.00 C ATOM 416 C4' DC B 14 6.364 8.452 -6.621 1.00 0.00 C ATOM 417 O4' DC B 14 5.374 8.673 -5.630 1.00 0.00 O ATOM 418 C3' DC B 14 6.735 6.960 -6.549 1.00 0.00 C ATOM 419 O3' DC B 14 8.104 6.885 -6.191 1.00 0.00 O ATOM 420 C2' DC B 14 5.788 6.440 -5.459 1.00 0.00 C ATOM 421 C1' DC B 14 5.574 7.698 -4.625 1.00 0.00 C ATOM 422 N1 DC B 14 4.362 7.666 -3.750 1.00 0.00 N ATOM 423 C2 DC B 14 4.516 7.877 -2.371 1.00 0.00 C ATOM 424 O2 DC B 14 5.625 8.002 -1.858 1.00 0.00 O ATOM 425 N3 DC B 14 3.403 7.946 -1.582 1.00 0.00 N ATOM 426 C4 DC B 14 2.179 7.815 -2.110 1.00 0.00 C ATOM 427 N4 DC B 14 1.106 7.923 -1.322 1.00 0.00 N ATOM 428 C5 DC B 14 1.994 7.603 -3.512 1.00 0.00 C ATOM 429 C6 DC B 14 3.099 7.540 -4.290 1.00 0.00 C ATOM 0 H5' DC B 14 5.277 9.845 -7.861 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.654 9.110 -8.657 1.00 0.00 H new ATOM 0 H4' DC B 14 7.274 9.031 -6.463 1.00 0.00 H new ATOM 0 H3' DC B 14 6.627 6.382 -7.466 1.00 0.00 H new ATOM 0 H2' DC B 14 4.855 6.058 -5.873 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.234 5.632 -4.878 1.00 0.00 H new ATOM 0 H1' DC B 14 6.404 7.859 -3.937 1.00 0.00 H new ATOM 0 H41 DC B 14 0.171 7.824 -1.717 1.00 0.00 H new ATOM 0 H42 DC B 14 1.222 8.104 -0.325 1.00 0.00 H new ATOM 0 H5 DC B 14 1.006 7.497 -3.935 1.00 0.00 H new ATOM 0 H6 DC B 14 2.990 7.388 -5.354 1.00 0.00 H new ATOM 441 P DT B 15 8.886 5.484 -6.016 1.00 0.00 P ATOM 442 OP1 DT B 15 10.332 5.736 -6.200 1.00 0.00 O ATOM 443 OP2 DT B 15 8.207 4.454 -6.834 1.00 0.00 O ATOM 444 O5' DT B 15 8.623 5.150 -4.464 1.00 0.00 O ATOM 445 C5' DT B 15 9.163 5.960 -3.437 1.00 0.00 C ATOM 446 C4' DT B 15 8.771 5.422 -2.056 1.00 0.00 C ATOM 447 O4' DT B 15 7.398 5.668 -1.893 1.00 0.00 O ATOM 448 C3' DT B 15 8.960 3.907 -1.881 1.00 0.00 C ATOM 449 O3' DT B 15 10.113 3.698 -1.076 1.00 0.00 O ATOM 450 C2' DT B 15 7.657 3.446 -1.234 1.00 0.00 C ATOM 451 C1' DT B 15 6.922 4.745 -0.942 1.00 0.00 C ATOM 452 N1 DT B 15 5.479 4.629 -1.223 1.00 0.00 N ATOM 453 C2 DT B 15 4.578 5.027 -0.247 1.00 0.00 C ATOM 454 O2 DT B 15 4.919 5.385 0.877 1.00 0.00 O ATOM 455 N3 DT B 15 3.245 4.998 -0.611 1.00 0.00 N ATOM 456 C4 DT B 15 2.738 4.609 -1.839 1.00 0.00 C ATOM 457 O4 DT B 15 1.523 4.639 -2.023 1.00 0.00 O ATOM 458 C5 DT B 15 3.748 4.193 -2.800 1.00 0.00 C ATOM 459 C7 DT B 15 3.323 3.751 -4.187 1.00 0.00 C ATOM 460 C6 DT B 15 5.064 4.213 -2.464 1.00 0.00 C ATOM 0 H5' DT B 15 8.805 6.983 -3.549 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.249 5.991 -3.525 1.00 0.00 H new ATOM 0 H4' DT B 15 9.417 5.918 -1.332 1.00 0.00 H new ATOM 0 H3' DT B 15 9.134 3.345 -2.799 1.00 0.00 H new ATOM 0 H2' DT B 15 7.084 2.803 -1.902 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.841 2.876 -0.323 1.00 0.00 H new ATOM 0 H1' DT B 15 7.077 5.019 0.102 1.00 0.00 H new ATOM 0 H3 DT B 15 2.569 5.292 0.094 1.00 0.00 H new ATOM 0 H71 DT B 15 4.113 3.984 -4.901 1.00 0.00 H new ATOM 0 H72 DT B 15 3.139 2.677 -4.186 1.00 0.00 H new ATOM 0 H73 DT B 15 2.411 4.275 -4.472 1.00 0.00 H new ATOM 0 H6 DT B 15 5.799 3.895 -3.188 1.00 0.00 H new ATOM 473 P DA B 16 10.619 2.235 -0.605 1.00 0.00 P ATOM 474 OP1 DA B 16 12.016 2.363 -0.135 1.00 0.00 O ATOM 475 OP2 DA B 16 10.289 1.263 -1.671 1.00 0.00 O ATOM 476 O5' DA B 16 9.689 1.911 0.675 1.00 0.00 O ATOM 477 C5' DA B 16 9.824 2.601 1.907 1.00 0.00 C ATOM 478 C4' DA B 16 8.654 2.285 2.858 1.00 0.00 C ATOM 479 O4' DA B 16 7.452 2.736 2.280 1.00 0.00 O ATOM 480 C3' DA B 16 8.414 0.810 3.117 1.00 0.00 C ATOM 481 O3' DA B 16 8.991 0.357 4.333 1.00 0.00 O ATOM 482 C2' DA B 16 6.949 0.526 2.904 1.00 0.00 C ATOM 483 C1' DA B 16 6.448 1.932 2.859 1.00 0.00 C ATOM 484 N9 DA B 16 5.238 2.019 2.038 1.00 0.00 N ATOM 485 C8 DA B 16 5.199 1.714 0.718 1.00 0.00 C ATOM 486 N7 DA B 16 4.033 1.885 0.158 1.00 0.00 N ATOM 487 C5 DA B 16 3.222 2.274 1.226 1.00 0.00 C ATOM 488 C6 DA B 16 1.848 2.582 1.335 1.00 0.00 C ATOM 489 N6 DA B 16 1.036 2.696 0.276 1.00 0.00 N ATOM 490 N1 DA B 16 1.329 2.769 2.565 1.00 0.00 N ATOM 491 C2 DA B 16 2.136 2.703 3.624 1.00 0.00 C ATOM 492 N3 DA B 16 3.449 2.490 3.651 1.00 0.00 N ATOM 493 C4 DA B 16 3.939 2.281 2.399 1.00 0.00 C ATOM 0 H5' DA B 16 9.865 3.674 1.722 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.765 2.323 2.381 1.00 0.00 H new ATOM 0 H4' DA B 16 8.929 2.773 3.793 1.00 0.00 H new ATOM 0 H3' DA B 16 8.953 0.194 2.397 1.00 0.00 H new ATOM 0 H2' DA B 16 6.755 -0.021 1.981 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.509 -0.053 3.716 1.00 0.00 H new ATOM 0 H1' DA B 16 6.211 2.267 3.869 1.00 0.00 H new ATOM 0 H8 DA B 16 6.062 1.359 0.174 1.00 0.00 H new ATOM 0 H61 DA B 16 0.050 2.920 0.411 1.00 0.00 H new ATOM 0 H62 DA B 16 1.403 2.558 -0.666 1.00 0.00 H new ATOM 0 H2 DA B 16 1.662 2.840 4.585 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.299 -0.957 4.139 1.00 0.00 N HETATM 506 C2 T41 B 17 1.987 -0.568 3.877 1.00 0.00 C HETATM 507 N3 T41 B 17 1.608 -0.556 2.544 1.00 0.00 N HETATM 508 C4 T41 B 17 2.400 -0.892 1.458 1.00 0.00 C HETATM 509 C5 T41 B 17 3.739 -1.307 1.819 1.00 0.00 C HETATM 510 C5M T41 B 17 4.715 -1.750 0.757 1.00 0.00 C HETATM 511 C6 T41 B 17 4.131 -1.321 3.111 1.00 0.00 C HETATM 512 O2 T41 B 17 1.185 -0.249 4.752 1.00 0.00 O HETATM 513 O4 T41 B 17 1.951 -0.822 0.317 1.00 0.00 O HETATM 514 C1' T41 B 17 3.779 -0.931 5.546 1.00 0.00 C HETATM 515 C2' T41 B 17 4.273 -2.211 6.141 1.00 0.00 C HETATM 516 O2' T41 B 17 5.137 -2.911 5.297 1.00 0.00 O HETATM 517 C3' T41 B 17 5.066 -1.739 7.351 1.00 0.00 C HETATM 518 C4' T41 B 17 5.540 -0.349 6.900 1.00 0.00 C HETATM 519 O3' T41 B 17 4.269 -1.561 8.513 1.00 0.00 O HETATM 520 O4' T41 B 17 4.824 0.004 5.723 1.00 0.00 O HETATM 521 C5' T41 B 17 7.037 -0.284 6.570 1.00 0.00 C HETATM 522 O5' T41 B 17 7.398 -1.203 5.556 1.00 0.00 O HETATM 523 C6' T41 B 17 4.749 -4.242 5.355 1.00 0.00 C HETATM 524 P T41 B 17 8.860 -1.167 4.868 1.00 0.00 P HETATM 525 O1P T41 B 17 9.868 -1.364 5.933 1.00 0.00 O HETATM 526 O2P T41 B 17 8.839 -2.074 3.699 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.311 -2.613 0.228 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.878 -0.936 0.051 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.662 -2.021 1.224 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.294 0.726 6.252 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.616 -0.492 7.470 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.447 -2.889 6.353 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.148 -1.634 3.346 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.358 0.332 7.731 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.839 -2.458 7.621 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.650 -0.271 2.342 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.831 -4.600 6.381 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.716 -4.335 5.020 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.395 -4.838 4.710 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.858 -0.670 6.068 1.00 0.00 H new ATOM 541 P DA B 18 3.630 -2.789 9.347 1.00 0.00 P ATOM 542 OP1 DA B 18 3.585 -2.397 10.773 1.00 0.00 O ATOM 543 OP2 DA B 18 4.320 -4.038 8.955 1.00 0.00 O ATOM 544 O5' DA B 18 2.114 -2.861 8.795 1.00 0.00 O ATOM 545 C5' DA B 18 1.124 -1.933 9.210 1.00 0.00 C ATOM 546 C4' DA B 18 -0.228 -2.316 8.597 1.00 0.00 C ATOM 547 O4' DA B 18 -0.112 -2.196 7.200 1.00 0.00 O ATOM 548 C3' DA B 18 -0.624 -3.764 8.919 1.00 0.00 C ATOM 549 O3' DA B 18 -1.841 -3.734 9.647 1.00 0.00 O ATOM 550 C2' DA B 18 -0.757 -4.370 7.522 1.00 0.00 C ATOM 551 C1' DA B 18 -0.974 -3.160 6.650 1.00 0.00 C ATOM 552 N9 DA B 18 -0.529 -3.342 5.253 1.00 0.00 N ATOM 553 C8 DA B 18 0.749 -3.615 4.835 1.00 0.00 C ATOM 554 N7 DA B 18 0.912 -3.590 3.544 1.00 0.00 N ATOM 555 C5 DA B 18 -0.352 -3.268 3.070 1.00 0.00 C ATOM 556 C6 DA B 18 -0.846 -3.039 1.773 1.00 0.00 C ATOM 557 N6 DA B 18 -0.090 -3.060 0.670 1.00 0.00 N ATOM 558 N1 DA B 18 -2.138 -2.716 1.642 1.00 0.00 N ATOM 559 C2 DA B 18 -2.926 -2.618 2.704 1.00 0.00 C ATOM 560 N3 DA B 18 -2.578 -2.800 3.981 1.00 0.00 N ATOM 561 C4 DA B 18 -1.254 -3.128 4.100 1.00 0.00 C ATOM 0 H5' DA B 18 1.403 -0.926 8.901 1.00 0.00 H new ATOM 0 H5'' DA B 18 1.052 -1.924 10.298 1.00 0.00 H new ATOM 0 H4' DA B 18 -0.992 -1.658 9.012 1.00 0.00 H new ATOM 0 H3' DA B 18 0.069 -4.337 9.535 1.00 0.00 H new ATOM 0 H2' DA B 18 0.138 -4.921 7.233 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.593 -5.067 7.462 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.037 -2.919 6.626 1.00 0.00 H new ATOM 0 H8 DA B 18 1.554 -3.833 5.521 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.513 -2.885 -0.242 1.00 0.00 H new ATOM 0 H62 DA B 18 0.910 -3.251 0.740 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.959 -2.364 2.517 1.00 0.00 H new ATOM 573 P DT B 19 -2.655 -5.069 10.056 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.446 -4.775 11.271 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.723 -6.219 10.042 1.00 0.00 O ATOM 576 O5' DT B 19 -3.673 -5.227 8.815 1.00 0.00 O ATOM 577 C5' DT B 19 -4.649 -4.238 8.542 1.00 0.00 C ATOM 578 C4' DT B 19 -5.477 -4.614 7.309 1.00 0.00 C ATOM 579 O4' DT B 19 -4.617 -4.530 6.185 1.00 0.00 O ATOM 580 C3' DT B 19 -6.021 -6.051 7.383 1.00 0.00 C ATOM 581 O3' DT B 19 -7.416 -6.031 7.125 1.00 0.00 O ATOM 582 C2' DT B 19 -5.240 -6.761 6.278 1.00 0.00 C ATOM 583 C1' DT B 19 -4.917 -5.621 5.343 1.00 0.00 C ATOM 584 N1 DT B 19 -3.809 -5.863 4.398 1.00 0.00 N ATOM 585 C2 DT B 19 -3.988 -5.729 3.024 1.00 0.00 C ATOM 586 O2 DT B 19 -5.061 -5.435 2.503 1.00 0.00 O ATOM 587 N3 DT B 19 -2.857 -5.950 2.251 1.00 0.00 N ATOM 588 C4 DT B 19 -1.597 -6.302 2.718 1.00 0.00 C ATOM 589 O4 DT B 19 -0.668 -6.448 1.928 1.00 0.00 O ATOM 590 C5 DT B 19 -1.519 -6.459 4.159 1.00 0.00 C ATOM 591 C7 DT B 19 -0.220 -6.907 4.798 1.00 0.00 C ATOM 592 C6 DT B 19 -2.615 -6.223 4.923 1.00 0.00 C ATOM 0 H5' DT B 19 -4.163 -3.276 8.379 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.305 -4.121 9.404 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.329 -3.938 7.244 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.901 -6.541 8.349 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.340 -7.244 6.659 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.834 -7.534 5.790 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.771 -5.455 4.686 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.961 -5.844 1.242 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.143 -6.485 5.800 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.201 -7.995 4.860 1.00 0.00 H new ATOM 0 H73 DT B 19 0.620 -6.564 4.194 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.531 -6.327 5.995 1.00 0.00 H new ATOM 605 P DG B 20 -8.321 -7.373 7.136 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.679 -7.008 7.596 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.573 -8.442 7.835 1.00 0.00 O ATOM 608 O5' DG B 20 -8.406 -7.767 5.571 1.00 0.00 O ATOM 609 C5' DG B 20 -9.158 -6.988 4.659 1.00 0.00 C ATOM 610 C4' DG B 20 -9.211 -7.633 3.269 1.00 0.00 C ATOM 611 O4' DG B 20 -7.928 -7.554 2.670 1.00 0.00 O ATOM 612 C3' DG B 20 -9.592 -9.118 3.321 1.00 0.00 C ATOM 613 O3' DG B 20 -10.526 -9.314 2.270 1.00 0.00 O ATOM 614 C2' DG B 20 -8.242 -9.801 3.098 1.00 0.00 C ATOM 615 C1' DG B 20 -7.616 -8.821 2.120 1.00 0.00 C ATOM 616 N9 DG B 20 -6.147 -8.883 2.005 1.00 0.00 N ATOM 617 C8 DG B 20 -5.230 -9.070 2.998 1.00 0.00 C ATOM 618 N7 DG B 20 -3.988 -9.020 2.602 1.00 0.00 N ATOM 619 C5 DG B 20 -4.090 -8.802 1.230 1.00 0.00 C ATOM 620 C6 DG B 20 -3.072 -8.709 0.233 1.00 0.00 C ATOM 621 O6 DG B 20 -1.856 -8.694 0.397 1.00 0.00 O ATOM 622 N1 DG B 20 -3.591 -8.630 -1.058 1.00 0.00 N ATOM 623 C2 DG B 20 -4.943 -8.597 -1.351 1.00 0.00 C ATOM 624 N2 DG B 20 -5.294 -8.542 -2.638 1.00 0.00 N ATOM 625 N3 DG B 20 -5.900 -8.630 -0.412 1.00 0.00 N ATOM 626 C4 DG B 20 -5.411 -8.741 0.853 1.00 0.00 C ATOM 0 H5' DG B 20 -8.719 -5.993 4.582 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.171 -6.860 5.039 1.00 0.00 H new ATOM 0 H4' DG B 20 -9.969 -7.094 2.701 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.059 -9.497 4.230 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.666 -9.898 4.018 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.344 -10.802 2.679 1.00 0.00 H new ATOM 0 H1' DG B 20 -7.997 -9.038 1.122 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.509 -9.245 4.027 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.933 -8.594 -1.836 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.280 -8.516 -2.897 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.576 -8.526 -3.362 1.00 0.00 H new ATOM 638 P DC B 21 -11.096 -10.754 1.814 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.541 -10.609 1.529 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.634 -11.792 2.762 1.00 0.00 O ATOM 641 O5' DC B 21 -10.322 -10.952 0.412 1.00 0.00 O ATOM 642 C5' DC B 21 -10.499 -10.026 -0.647 1.00 0.00 C ATOM 643 C4' DC B 21 -9.803 -10.477 -1.936 1.00 0.00 C ATOM 644 O4' DC B 21 -8.406 -10.391 -1.709 1.00 0.00 O ATOM 645 C3' DC B 21 -10.135 -11.930 -2.302 1.00 0.00 C ATOM 646 O3' DC B 21 -10.326 -12.004 -3.706 1.00 0.00 O ATOM 647 C2' DC B 21 -8.877 -12.661 -1.840 1.00 0.00 C ATOM 648 C1' DC B 21 -7.805 -11.607 -2.107 1.00 0.00 C ATOM 649 N1 DC B 21 -6.602 -11.786 -1.251 1.00 0.00 N ATOM 650 C2 DC B 21 -5.335 -11.810 -1.837 1.00 0.00 C ATOM 651 O2 DC B 21 -5.190 -11.768 -3.056 1.00 0.00 O ATOM 652 N3 DC B 21 -4.241 -11.883 -1.024 1.00 0.00 N ATOM 653 C4 DC B 21 -4.371 -11.936 0.309 1.00 0.00 C ATOM 654 N4 DC B 21 -3.269 -11.978 1.063 1.00 0.00 N ATOM 655 C5 DC B 21 -5.662 -11.878 0.933 1.00 0.00 C ATOM 656 C6 DC B 21 -6.736 -11.803 0.116 1.00 0.00 C ATOM 0 H5' DC B 21 -10.108 -9.054 -0.346 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.564 -9.895 -0.838 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.141 -9.842 -2.755 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.038 -12.345 -1.855 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.926 -12.940 -0.787 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.703 -13.577 -2.405 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.484 -11.657 -3.147 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.348 -12.019 2.079 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.349 -11.969 0.622 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.770 -11.894 2.007 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.724 -11.755 0.549 1.00 0.00 H new ATOM 668 P DG B 22 -10.682 -13.386 -4.466 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.494 -13.060 -5.660 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.191 -14.358 -3.474 1.00 0.00 O ATOM 671 O5' DG B 22 -9.233 -13.889 -4.965 1.00 0.00 O ATOM 672 C5' DG B 22 -8.558 -13.234 -6.022 1.00 0.00 C ATOM 673 C4' DG B 22 -7.196 -13.885 -6.281 1.00 0.00 C ATOM 674 O4' DG B 22 -6.406 -13.718 -5.118 1.00 0.00 O ATOM 675 C3' DG B 22 -7.298 -15.396 -6.541 1.00 0.00 C ATOM 676 O3' DG B 22 -6.691 -15.720 -7.775 1.00 0.00 O ATOM 677 C2' DG B 22 -6.503 -16.005 -5.394 1.00 0.00 C ATOM 678 C1' DG B 22 -5.584 -14.859 -5.017 1.00 0.00 C ATOM 679 N9 DG B 22 -5.042 -14.937 -3.642 1.00 0.00 N ATOM 680 C8 DG B 22 -5.710 -15.086 -2.452 1.00 0.00 C ATOM 681 N7 DG B 22 -4.942 -15.040 -1.399 1.00 0.00 N ATOM 682 C5 DG B 22 -3.667 -14.852 -1.924 1.00 0.00 C ATOM 683 C6 DG B 22 -2.411 -14.691 -1.263 1.00 0.00 C ATOM 684 O6 DG B 22 -2.187 -14.672 -0.055 1.00 0.00 O ATOM 685 N1 DG B 22 -1.353 -14.542 -2.157 1.00 0.00 N ATOM 686 C2 DG B 22 -1.489 -14.543 -3.533 1.00 0.00 C ATOM 687 N2 DG B 22 -0.380 -14.382 -4.261 1.00 0.00 N ATOM 688 N3 DG B 22 -2.672 -14.663 -4.155 1.00 0.00 N ATOM 689 C4 DG B 22 -3.718 -14.810 -3.297 1.00 0.00 C ATOM 0 H5' DG B 22 -8.422 -12.181 -5.776 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.164 -13.274 -6.927 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.768 -13.411 -7.165 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.326 -15.754 -6.591 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.144 -16.306 -4.565 1.00 0.00 H new ATOM 0 H2'' DG B 22 -5.948 -16.890 -5.705 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.760 -16.685 -7.930 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.708 -14.860 -5.665 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.779 -15.229 -2.393 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.416 -14.424 -1.771 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.435 -14.376 -5.280 1.00 0.00 H new ATOM 0 H22 DG B 22 0.521 -14.265 -3.798 1.00 0.00 H new TER 702 DG B 22