USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 277 hydrogens (6 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= -0.304 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0848 (180deg=-0.0848) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-0.00517) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc=-0.00213 USER MOD Single : B 20 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -11.084 7.512 -6.498 1.00 1.50 O ATOM 2 C5' DC A 1 -11.667 6.810 -7.600 1.00 1.49 C ATOM 3 C4' DC A 1 -10.871 5.563 -7.926 1.00 1.35 C ATOM 4 O4' DC A 1 -9.978 5.884 -9.015 1.00 1.27 O ATOM 5 C3' DC A 1 -9.988 5.035 -6.789 1.00 1.28 C ATOM 6 O3' DC A 1 -10.515 3.801 -6.281 1.00 1.35 O ATOM 7 C2' DC A 1 -8.630 4.792 -7.438 1.00 1.12 C ATOM 8 C1' DC A 1 -8.809 5.102 -8.911 1.00 1.12 C ATOM 9 N1 DC A 1 -7.695 5.870 -9.480 1.00 1.05 N ATOM 10 C2 DC A 1 -7.145 5.488 -10.707 1.00 1.00 C ATOM 11 O2 DC A 1 -7.617 4.506 -11.299 1.00 1.01 O ATOM 12 N3 DC A 1 -6.112 6.197 -11.215 1.00 0.97 N ATOM 13 C4 DC A 1 -5.636 7.252 -10.549 1.00 0.99 C ATOM 14 N4 DC A 1 -4.620 7.926 -11.089 1.00 1.00 N ATOM 15 C5 DC A 1 -6.181 7.663 -9.298 1.00 1.04 C ATOM 16 C6 DC A 1 -7.200 6.947 -8.806 1.00 1.06 C ATOM 0 H5' DC A 1 -11.704 7.461 -8.473 1.00 1.49 H new ATOM 0 H5'' DC A 1 -12.695 6.538 -7.361 1.00 1.49 H new ATOM 0 H4' DC A 1 -11.607 4.791 -8.149 1.00 1.35 H new ATOM 0 H3' DC A 1 -9.934 5.730 -5.951 1.00 1.28 H new ATOM 0 H2' DC A 1 -7.866 5.431 -6.995 1.00 1.12 H new ATOM 0 H2'' DC A 1 -8.307 3.761 -7.293 1.00 1.12 H new ATOM 0 HO5' DC A 1 -11.612 8.315 -6.305 1.00 1.50 H new ATOM 0 H1' DC A 1 -8.861 4.162 -9.460 1.00 1.12 H new ATOM 0 H41 DC A 1 -4.232 8.737 -10.607 1.00 1.00 H new ATOM 0 H42 DC A 1 -4.231 7.631 -11.984 1.00 1.00 H new ATOM 0 H5 DC A 1 -5.788 8.518 -8.768 1.00 1.04 H new ATOM 0 H6 DC A 1 -7.637 7.227 -7.859 1.00 1.06 H new ATOM 29 P DC A 2 -9.638 2.915 -5.260 1.00 1.34 P ATOM 30 OP1 DC A 2 -10.562 2.053 -4.481 1.00 1.54 O ATOM 31 OP2 DC A 2 -8.716 3.835 -4.546 1.00 1.30 O ATOM 32 O5' DC A 2 -8.767 1.979 -6.213 1.00 1.20 O ATOM 33 C5' DC A 2 -9.361 1.321 -7.332 1.00 1.22 C ATOM 34 C4' DC A 2 -8.406 0.310 -7.922 1.00 1.12 C ATOM 35 O4' DC A 2 -7.482 1.008 -8.787 1.00 1.02 O ATOM 36 C3' DC A 2 -7.563 -0.480 -6.916 1.00 1.10 C ATOM 37 O3' DC A 2 -7.587 -1.875 -7.247 1.00 1.14 O ATOM 38 C2' DC A 2 -6.163 0.091 -7.070 1.00 0.97 C ATOM 39 C1' DC A 2 -6.146 0.687 -8.461 1.00 0.90 C ATOM 40 N1 DC A 2 -5.363 1.921 -8.532 1.00 0.81 N ATOM 41 C2 DC A 2 -4.400 2.076 -9.528 1.00 0.71 C ATOM 42 O2 DC A 2 -4.233 1.164 -10.349 1.00 0.70 O ATOM 43 N3 DC A 2 -3.673 3.217 -9.569 1.00 0.64 N ATOM 44 C4 DC A 2 -3.883 4.171 -8.659 1.00 0.67 C ATOM 45 N4 DC A 2 -3.140 5.276 -8.733 1.00 0.61 N ATOM 46 C5 DC A 2 -4.865 4.032 -7.633 1.00 0.77 C ATOM 47 C6 DC A 2 -5.577 2.904 -7.615 1.00 0.84 C ATOM 0 H5' DC A 2 -9.635 2.055 -8.089 1.00 1.22 H new ATOM 0 H5'' DC A 2 -10.280 0.824 -7.023 1.00 1.22 H new ATOM 0 H4' DC A 2 -9.040 -0.414 -8.433 1.00 1.12 H new ATOM 0 H3' DC A 2 -7.929 -0.396 -5.893 1.00 1.10 H new ATOM 0 H2' DC A 2 -5.957 0.847 -6.312 1.00 0.97 H new ATOM 0 H2'' DC A 2 -5.404 -0.684 -6.961 1.00 0.97 H new ATOM 0 H1' DC A 2 -5.696 -0.035 -9.143 1.00 0.90 H new ATOM 0 H41 DC A 2 -3.273 6.026 -8.055 1.00 0.61 H new ATOM 0 H42 DC A 2 -2.439 5.371 -9.468 1.00 0.61 H new ATOM 0 H5 DC A 2 -5.025 4.809 -6.900 1.00 0.77 H new ATOM 0 H6 DC A 2 -6.337 2.768 -6.859 1.00 0.84 H new ATOM 59 P DT A 3 -6.444 -2.855 -6.679 1.00 1.15 P ATOM 60 OP1 DT A 3 -6.935 -4.252 -6.788 1.00 1.28 O ATOM 61 OP2 DT A 3 -6.010 -2.332 -5.358 1.00 1.19 O ATOM 62 O5' DT A 3 -5.240 -2.668 -7.708 1.00 1.01 O ATOM 63 C5' DT A 3 -5.424 -2.923 -9.102 1.00 0.96 C ATOM 64 C4' DT A 3 -4.167 -3.506 -9.704 1.00 0.92 C ATOM 65 O4' DT A 3 -3.286 -2.429 -10.101 1.00 0.81 O ATOM 66 C3' DT A 3 -3.343 -4.394 -8.772 1.00 0.99 C ATOM 67 O3' DT A 3 -2.742 -5.459 -9.530 1.00 1.05 O ATOM 68 C2' DT A 3 -2.310 -3.435 -8.216 1.00 0.91 C ATOM 69 C1' DT A 3 -2.059 -2.518 -9.394 1.00 0.79 C ATOM 70 N1 DT A 3 -1.664 -1.161 -9.014 1.00 0.70 N ATOM 71 C2 DT A 3 -0.643 -0.543 -9.696 1.00 0.62 C ATOM 72 O2 DT A 3 -0.035 -1.072 -10.609 1.00 0.63 O ATOM 73 N3 DT A 3 -0.358 0.722 -9.266 1.00 0.54 N ATOM 74 C4 DT A 3 -0.970 1.411 -8.242 1.00 0.55 C ATOM 75 O4 DT A 3 -0.595 2.545 -7.962 1.00 0.49 O ATOM 76 C5 DT A 3 -2.026 0.697 -7.562 1.00 0.66 C ATOM 77 C7 DT A 3 -2.620 1.305 -6.331 1.00 0.72 C ATOM 78 C6 DT A 3 -2.329 -0.540 -7.986 1.00 0.72 C ATOM 0 H5' DT A 3 -5.685 -1.998 -9.616 1.00 0.96 H new ATOM 0 H5'' DT A 3 -6.256 -3.612 -9.245 1.00 0.96 H new ATOM 0 H4' DT A 3 -4.522 -4.123 -10.529 1.00 0.92 H new ATOM 0 H3' DT A 3 -3.917 -4.880 -7.983 1.00 0.99 H new ATOM 0 H2' DT A 3 -2.684 -2.891 -7.349 1.00 0.91 H new ATOM 0 H2'' DT A 3 -1.403 -3.951 -7.901 1.00 0.91 H new ATOM 0 H1' DT A 3 -1.237 -2.933 -9.977 1.00 0.79 H new ATOM 0 H3 DT A 3 0.391 1.210 -9.757 1.00 0.54 H new ATOM 0 H71 DT A 3 -3.662 0.999 -6.241 1.00 0.72 H new ATOM 0 H72 DT A 3 -2.066 0.968 -5.455 1.00 0.72 H new ATOM 0 H73 DT A 3 -2.566 2.392 -6.399 1.00 0.72 H new ATOM 0 H6 DT A 3 -3.132 -1.071 -7.496 1.00 0.72 H new ATOM 91 P DC A 4 -1.435 -6.219 -8.972 1.00 1.15 P ATOM 92 OP1 DC A 4 -1.434 -7.571 -9.585 1.00 1.30 O ATOM 93 OP2 DC A 4 -1.386 -6.089 -7.492 1.00 1.25 O ATOM 94 O5' DC A 4 -0.215 -5.398 -9.590 1.00 1.03 O ATOM 95 C5' DC A 4 0.220 -5.619 -10.938 1.00 0.99 C ATOM 96 C4' DC A 4 1.730 -5.593 -11.014 1.00 0.96 C ATOM 97 O4' DC A 4 2.195 -4.260 -10.692 1.00 0.91 O ATOM 98 C3' DC A 4 2.444 -6.510 -10.026 1.00 1.03 C ATOM 99 O3' DC A 4 3.734 -6.878 -10.528 1.00 1.05 O ATOM 100 C2' DC A 4 2.564 -5.621 -8.804 1.00 1.00 C ATOM 101 C1' DC A 4 2.889 -4.276 -9.449 1.00 0.89 C ATOM 102 N1 DC A 4 2.475 -3.076 -8.696 1.00 0.81 N ATOM 103 C2 DC A 4 3.227 -1.901 -8.833 1.00 0.72 C ATOM 104 O2 DC A 4 4.242 -1.914 -9.546 1.00 0.73 O ATOM 105 N3 DC A 4 2.828 -0.783 -8.184 1.00 0.65 N ATOM 106 C4 DC A 4 1.731 -0.810 -7.425 1.00 0.68 C ATOM 107 N4 DC A 4 1.362 0.313 -6.816 1.00 0.63 N ATOM 108 C5 DC A 4 0.961 -1.995 -7.253 1.00 0.78 C ATOM 109 C6 DC A 4 1.370 -3.095 -7.894 1.00 0.84 C ATOM 0 H5' DC A 4 -0.197 -4.853 -11.592 1.00 0.99 H new ATOM 0 H5'' DC A 4 -0.152 -6.579 -11.294 1.00 0.99 H new ATOM 0 H4' DC A 4 1.960 -5.925 -12.026 1.00 0.96 H new ATOM 0 H3' DC A 4 1.927 -7.450 -9.832 1.00 1.03 H new ATOM 0 H2' DC A 4 1.640 -5.588 -8.226 1.00 1.00 H new ATOM 0 H2'' DC A 4 3.351 -5.954 -8.128 1.00 1.00 H new ATOM 0 H1' DC A 4 3.975 -4.213 -9.515 1.00 0.89 H new ATOM 0 H41 DC A 4 0.528 0.324 -6.229 1.00 0.63 H new ATOM 0 H42 DC A 4 1.913 1.163 -6.936 1.00 0.63 H new ATOM 0 H5 DC A 4 0.080 -2.005 -6.628 1.00 0.78 H new ATOM 0 H6 DC A 4 0.817 -4.015 -7.775 1.00 0.84 H new ATOM 121 P DA A 5 4.745 -7.715 -9.598 1.00 1.16 P ATOM 122 OP1 DA A 5 5.926 -8.061 -10.429 1.00 1.36 O ATOM 123 OP2 DA A 5 3.979 -8.796 -8.927 1.00 1.37 O ATOM 124 O5' DA A 5 5.203 -6.667 -8.489 1.00 0.92 O ATOM 125 C5' DA A 5 6.197 -5.681 -8.775 1.00 0.79 C ATOM 126 C4' DA A 5 6.647 -5.003 -7.502 1.00 0.62 C ATOM 127 O4' DA A 5 5.912 -3.781 -7.320 1.00 0.58 O ATOM 128 C3' DA A 5 6.437 -5.789 -6.207 1.00 0.64 C ATOM 129 O3' DA A 5 7.655 -6.452 -5.841 1.00 0.74 O ATOM 130 C2' DA A 5 6.069 -4.717 -5.183 1.00 0.62 C ATOM 131 C1' DA A 5 6.081 -3.414 -5.971 1.00 0.57 C ATOM 132 N9 DA A 5 4.996 -2.515 -5.612 1.00 0.54 N ATOM 133 C8 DA A 5 3.699 -2.880 -5.436 1.00 0.54 C ATOM 134 N7 DA A 5 2.907 -1.888 -5.102 1.00 0.52 N ATOM 135 C5 DA A 5 3.756 -0.790 -5.062 1.00 0.49 C ATOM 136 C6 DA A 5 3.543 0.570 -4.770 1.00 0.47 C ATOM 137 N6 DA A 5 2.358 1.084 -4.433 1.00 0.46 N ATOM 138 N1 DA A 5 4.610 1.397 -4.830 1.00 0.46 N ATOM 139 C2 DA A 5 5.805 0.880 -5.150 1.00 0.48 C ATOM 140 N3 DA A 5 6.129 -0.374 -5.432 1.00 0.51 N ATOM 141 C4 DA A 5 5.048 -1.166 -5.375 1.00 0.51 C ATOM 0 H5' DA A 5 5.795 -4.940 -9.467 1.00 0.79 H new ATOM 0 H5'' DA A 5 7.050 -6.148 -9.267 1.00 0.79 H new ATOM 0 H4' DA A 5 7.719 -4.875 -7.650 1.00 0.62 H new ATOM 0 H3' DA A 5 5.672 -6.562 -6.288 1.00 0.64 H new ATOM 0 H2' DA A 5 5.089 -4.907 -4.745 1.00 0.62 H new ATOM 0 H2'' DA A 5 6.785 -4.690 -4.362 1.00 0.62 H new ATOM 0 H1' DA A 5 7.011 -2.884 -5.765 1.00 0.57 H new ATOM 0 H8 DA A 5 3.351 -3.895 -5.560 1.00 0.54 H new ATOM 0 H61 DA A 5 2.273 2.081 -4.233 1.00 0.46 H new ATOM 0 H62 DA A 5 1.538 0.480 -4.375 1.00 0.46 H new ATOM 0 H2 DA A 5 6.621 1.587 -5.183 1.00 0.48 H new ATOM 153 P DG A 6 7.939 -6.821 -4.301 1.00 0.85 P ATOM 154 OP1 DG A 6 9.092 -7.756 -4.251 1.00 1.03 O ATOM 155 OP2 DG A 6 6.645 -7.218 -3.688 1.00 0.85 O ATOM 156 O5' DG A 6 8.389 -5.436 -3.652 1.00 0.81 O ATOM 157 C5' DG A 6 9.464 -4.675 -4.211 1.00 0.83 C ATOM 158 C4' DG A 6 9.703 -3.425 -3.394 1.00 0.78 C ATOM 159 O4' DG A 6 8.527 -2.577 -3.444 1.00 0.73 O ATOM 160 C3' DG A 6 9.982 -3.677 -1.905 1.00 0.75 C ATOM 161 O3' DG A 6 11.219 -3.067 -1.520 1.00 0.76 O ATOM 162 C2' DG A 6 8.820 -3.009 -1.185 1.00 0.69 C ATOM 163 C1' DG A 6 8.369 -1.967 -2.180 1.00 0.68 C ATOM 164 N9 DG A 6 6.978 -1.552 -2.032 1.00 0.63 N ATOM 165 C8 DG A 6 5.866 -2.354 -2.023 1.00 0.62 C ATOM 166 N7 DG A 6 4.753 -1.691 -1.866 1.00 0.58 N ATOM 167 C5 DG A 6 5.159 -0.368 -1.766 1.00 0.56 C ATOM 168 C6 DG A 6 4.398 0.806 -1.569 1.00 0.53 C ATOM 169 O6 DG A 6 3.171 0.918 -1.469 1.00 0.50 O ATOM 170 N1 DG A 6 5.207 1.933 -1.490 1.00 0.53 N ATOM 171 C2 DG A 6 6.575 1.930 -1.601 1.00 0.56 C ATOM 172 N2 DG A 6 7.179 3.118 -1.506 1.00 0.57 N ATOM 173 N3 DG A 6 7.298 0.840 -1.792 1.00 0.60 N ATOM 174 C4 DG A 6 6.529 -0.266 -1.859 1.00 0.59 C ATOM 0 H5' DG A 6 9.230 -4.405 -5.241 1.00 0.83 H new ATOM 0 H5'' DG A 6 10.371 -5.279 -4.238 1.00 0.83 H new ATOM 0 H4' DG A 6 10.588 -2.968 -3.838 1.00 0.78 H new ATOM 0 H3' DG A 6 10.066 -4.738 -1.670 1.00 0.75 H new ATOM 0 H2' DG A 6 8.026 -3.718 -0.953 1.00 0.69 H new ATOM 0 H2'' DG A 6 9.132 -2.560 -0.242 1.00 0.69 H new ATOM 0 H1' DG A 6 8.956 -1.060 -2.034 1.00 0.68 H new ATOM 0 H8 DG A 6 5.907 -3.427 -2.135 1.00 0.62 H new ATOM 0 H1 DG A 6 4.749 2.832 -1.338 1.00 0.53 H new ATOM 0 H21 DG A 6 8.194 3.181 -1.580 1.00 0.57 H new ATOM 0 H22 DG A 6 6.625 3.962 -1.359 1.00 0.57 H new ATOM 186 P DG A 7 11.683 -3.101 0.020 1.00 0.72 P ATOM 187 OP1 DG A 7 12.901 -2.259 0.135 1.00 0.75 O ATOM 188 OP2 DG A 7 11.729 -4.518 0.459 1.00 0.81 O ATOM 189 O5' DG A 7 10.495 -2.377 0.801 1.00 0.57 O ATOM 190 C5' DG A 7 10.491 -0.960 0.992 1.00 0.55 C ATOM 191 C4' DG A 7 9.675 -0.597 2.211 1.00 0.43 C ATOM 192 O4' DG A 7 8.345 -0.206 1.791 1.00 0.42 O ATOM 193 C3' DG A 7 9.485 -1.728 3.231 1.00 0.38 C ATOM 194 O3' DG A 7 9.973 -1.322 4.514 1.00 0.44 O ATOM 195 C2' DG A 7 7.979 -1.949 3.284 1.00 0.37 C ATOM 196 C1' DG A 7 7.422 -0.635 2.767 1.00 0.37 C ATOM 197 N9 DG A 7 6.098 -0.682 2.145 1.00 0.36 N ATOM 198 C8 DG A 7 5.582 -1.642 1.304 1.00 0.37 C ATOM 199 N7 DG A 7 4.359 -1.390 0.922 1.00 0.38 N ATOM 200 C5 DG A 7 4.048 -0.187 1.544 1.00 0.37 C ATOM 201 C6 DG A 7 2.861 0.592 1.503 1.00 0.38 C ATOM 202 O6 DG A 7 1.811 0.363 0.893 1.00 0.40 O ATOM 203 N1 DG A 7 2.977 1.743 2.276 1.00 0.39 N ATOM 204 C2 DG A 7 4.089 2.097 3.000 1.00 0.39 C ATOM 205 N2 DG A 7 4.013 3.237 3.692 1.00 0.42 N ATOM 206 N3 DG A 7 5.199 1.382 3.046 1.00 0.38 N ATOM 207 C4 DG A 7 5.110 0.262 2.301 1.00 0.37 C ATOM 0 H5' DG A 7 10.079 -0.469 0.111 1.00 0.55 H new ATOM 0 H5'' DG A 7 11.513 -0.599 1.109 1.00 0.55 H new ATOM 0 H4' DG A 7 10.240 0.199 2.697 1.00 0.43 H new ATOM 0 H3' DG A 7 10.027 -2.633 2.956 1.00 0.38 H new ATOM 0 H2' DG A 7 7.672 -2.790 2.662 1.00 0.37 H new ATOM 0 H2'' DG A 7 7.638 -2.161 4.297 1.00 0.37 H new ATOM 0 H1' DG A 7 7.293 0.022 3.627 1.00 0.37 H new ATOM 0 H8 DG A 7 6.134 -2.516 0.991 1.00 0.37 H new ATOM 0 H1 DG A 7 2.175 2.372 2.307 1.00 0.39 H new ATOM 0 H21 DG A 7 4.809 3.550 4.248 1.00 0.42 H new ATOM 0 H22 DG A 7 3.159 3.794 3.664 1.00 0.42 H new ATOM 219 P DC A 8 10.189 -2.419 5.671 1.00 0.50 P ATOM 220 OP1 DC A 8 11.653 -2.563 5.874 1.00 0.54 O ATOM 221 OP2 DC A 8 9.372 -3.617 5.350 1.00 0.48 O ATOM 222 O5' DC A 8 9.571 -1.732 6.969 1.00 0.60 O ATOM 223 C5' DC A 8 10.217 -0.618 7.589 1.00 0.65 C ATOM 224 C4' DC A 8 9.200 0.269 8.271 1.00 0.64 C ATOM 225 O4' DC A 8 8.037 0.395 7.418 1.00 0.62 O ATOM 226 C3' DC A 8 8.692 -0.244 9.622 1.00 0.65 C ATOM 227 O3' DC A 8 8.715 0.821 10.580 1.00 0.70 O ATOM 228 C2' DC A 8 7.263 -0.691 9.343 1.00 0.56 C ATOM 229 C1' DC A 8 6.854 0.164 8.159 1.00 0.55 C ATOM 230 N1 DC A 8 5.882 -0.472 7.258 1.00 0.50 N ATOM 231 C2 DC A 8 4.646 0.144 7.036 1.00 0.48 C ATOM 232 O2 DC A 8 4.384 1.201 7.628 1.00 0.49 O ATOM 233 N3 DC A 8 3.768 -0.429 6.182 1.00 0.45 N ATOM 234 C4 DC A 8 4.085 -1.570 5.567 1.00 0.44 C ATOM 235 N4 DC A 8 3.192 -2.097 4.732 1.00 0.42 N ATOM 236 C5 DC A 8 5.333 -2.222 5.782 1.00 0.46 C ATOM 237 C6 DC A 8 6.189 -1.647 6.633 1.00 0.49 C ATOM 0 H5' DC A 8 10.765 -0.045 6.841 1.00 0.65 H new ATOM 0 H5'' DC A 8 10.947 -0.972 8.317 1.00 0.65 H new ATOM 0 H4' DC A 8 9.721 1.210 8.449 1.00 0.64 H new ATOM 0 H3' DC A 8 9.300 -1.052 10.030 1.00 0.65 H new ATOM 0 H2' DC A 8 7.213 -1.754 9.108 1.00 0.56 H new ATOM 0 H2'' DC A 8 6.614 -0.524 10.203 1.00 0.56 H new ATOM 0 H1' DC A 8 6.374 1.064 8.543 1.00 0.55 H new ATOM 0 H41 DC A 8 3.401 -2.968 4.245 1.00 0.42 H new ATOM 0 H42 DC A 8 2.298 -1.629 4.579 1.00 0.42 H new ATOM 0 H5 DC A 8 5.578 -3.145 5.277 1.00 0.46 H new ATOM 0 H6 DC A 8 7.140 -2.120 6.830 1.00 0.49 H new ATOM 249 P DC A 9 8.137 0.581 12.061 1.00 0.70 P ATOM 250 OP1 DC A 9 8.860 1.484 12.993 1.00 0.78 O ATOM 251 OP2 DC A 9 8.128 -0.882 12.317 1.00 0.70 O ATOM 252 O5' DC A 9 6.625 1.072 11.962 1.00 0.61 O ATOM 253 C5' DC A 9 6.284 2.269 11.259 1.00 0.60 C ATOM 254 C4' DC A 9 4.827 2.604 11.475 1.00 0.53 C ATOM 255 O4' DC A 9 4.043 1.957 10.442 1.00 0.50 O ATOM 256 C3' DC A 9 4.258 2.128 12.814 1.00 0.45 C ATOM 257 O3' DC A 9 3.494 3.174 13.424 1.00 0.45 O ATOM 258 C2' DC A 9 3.380 0.944 12.443 1.00 0.40 C ATOM 259 C1' DC A 9 2.960 1.252 11.017 1.00 0.43 C ATOM 260 N1 DC A 9 2.686 0.078 10.168 1.00 0.41 N ATOM 261 C2 DC A 9 1.463 0.005 9.486 1.00 0.39 C ATOM 262 O2 DC A 9 0.632 0.914 9.636 1.00 0.39 O ATOM 263 N3 DC A 9 1.218 -1.055 8.682 1.00 0.39 N ATOM 264 C4 DC A 9 2.134 -2.016 8.548 1.00 0.42 C ATOM 265 N4 DC A 9 1.846 -3.042 7.748 1.00 0.44 N ATOM 266 C5 DC A 9 3.384 -1.969 9.230 1.00 0.45 C ATOM 267 C6 DC A 9 3.612 -0.919 10.029 1.00 0.44 C ATOM 0 H5' DC A 9 6.482 2.143 10.195 1.00 0.60 H new ATOM 0 H5'' DC A 9 6.909 3.093 11.604 1.00 0.60 H new ATOM 0 H4' DC A 9 4.769 3.692 11.454 1.00 0.53 H new ATOM 0 H3' DC A 9 5.028 1.855 13.535 1.00 0.45 H new ATOM 0 H2' DC A 9 3.926 0.003 12.507 1.00 0.40 H new ATOM 0 H2'' DC A 9 2.519 0.859 13.106 1.00 0.40 H new ATOM 0 H1' DC A 9 2.020 1.802 11.064 1.00 0.43 H new ATOM 0 H41 DC A 9 2.522 -3.795 7.621 1.00 0.44 H new ATOM 0 H42 DC A 9 0.950 -3.074 7.262 1.00 0.44 H new ATOM 0 H5 DC A 9 4.119 -2.750 9.107 1.00 0.45 H new ATOM 0 H6 DC A 9 4.543 -0.858 10.573 1.00 0.44 H new ATOM 279 P DT A 10 2.866 2.956 14.888 1.00 0.41 P ATOM 280 OP1 DT A 10 2.989 4.243 15.620 1.00 0.47 O ATOM 281 OP2 DT A 10 3.439 1.719 15.478 1.00 0.37 O ATOM 282 O5' DT A 10 1.322 2.700 14.595 1.00 0.38 O ATOM 283 C5' DT A 10 0.716 3.189 13.397 1.00 0.42 C ATOM 284 C4' DT A 10 -0.605 2.496 13.157 1.00 0.39 C ATOM 285 O4' DT A 10 -0.405 1.394 12.246 1.00 0.36 O ATOM 286 C3' DT A 10 -1.257 1.889 14.404 1.00 0.37 C ATOM 287 O3' DT A 10 -2.407 2.663 14.777 1.00 0.43 O ATOM 288 C2' DT A 10 -1.665 0.485 13.971 1.00 0.32 C ATOM 289 C1' DT A 10 -1.451 0.482 12.473 1.00 0.32 C ATOM 290 N1 DT A 10 -1.060 -0.826 11.930 1.00 0.29 N ATOM 291 C2 DT A 10 -1.880 -1.407 10.993 1.00 0.29 C ATOM 292 O2 DT A 10 -2.887 -0.869 10.568 1.00 0.31 O ATOM 293 N3 DT A 10 -1.477 -2.644 10.571 1.00 0.29 N ATOM 294 C4 DT A 10 -0.364 -3.343 10.983 1.00 0.31 C ATOM 295 O4 DT A 10 -0.135 -4.454 10.514 1.00 0.35 O ATOM 296 C5 DT A 10 0.459 -2.673 11.966 1.00 0.30 C ATOM 297 C7 DT A 10 1.603 -3.424 12.574 1.00 0.34 C ATOM 298 C6 DT A 10 0.084 -1.449 12.376 1.00 0.28 C ATOM 0 H5' DT A 10 1.381 3.021 12.550 1.00 0.42 H new ATOM 0 H5'' DT A 10 0.561 4.265 13.473 1.00 0.42 H new ATOM 0 H4' DT A 10 -1.261 3.279 12.776 1.00 0.39 H new ATOM 0 H3' DT A 10 -0.593 1.874 15.269 1.00 0.37 H new ATOM 0 H2' DT A 10 -1.057 -0.275 14.462 1.00 0.32 H new ATOM 0 H2'' DT A 10 -2.704 0.276 14.225 1.00 0.32 H new ATOM 0 H1' DT A 10 -2.387 0.740 11.978 1.00 0.32 H new ATOM 0 H3 DT A 10 -2.066 -3.099 9.874 1.00 0.29 H new ATOM 0 H71 DT A 10 1.365 -4.487 12.604 1.00 0.34 H new ATOM 0 H72 DT A 10 2.500 -3.269 11.974 1.00 0.34 H new ATOM 0 H73 DT A 10 1.778 -3.063 13.587 1.00 0.34 H new ATOM 0 H6 DT A 10 0.709 -0.930 13.088 1.00 0.28 H new ATOM 311 P DC A 11 -3.486 2.055 15.804 1.00 0.46 P ATOM 312 OP1 DC A 11 -4.342 3.176 16.268 1.00 0.54 O ATOM 313 OP2 DC A 11 -2.769 1.219 16.802 1.00 0.43 O ATOM 314 O5' DC A 11 -4.379 1.093 14.899 1.00 0.47 O ATOM 315 C5' DC A 11 -5.054 1.588 13.740 1.00 0.55 C ATOM 316 C4' DC A 11 -6.189 0.666 13.361 1.00 0.62 C ATOM 317 O4' DC A 11 -5.641 -0.486 12.676 1.00 0.53 O ATOM 318 C3' DC A 11 -6.998 0.124 14.542 1.00 0.70 C ATOM 319 O3' DC A 11 -8.396 0.125 14.232 1.00 0.84 O ATOM 320 C2' DC A 11 -6.502 -1.304 14.705 1.00 0.64 C ATOM 321 C1' DC A 11 -6.041 -1.685 13.312 1.00 0.55 C ATOM 322 N1 DC A 11 -4.899 -2.607 13.292 1.00 0.45 N ATOM 323 C2 DC A 11 -4.922 -3.712 12.438 1.00 0.43 C ATOM 324 O2 DC A 11 -5.912 -3.891 11.714 1.00 0.47 O ATOM 325 N3 DC A 11 -3.865 -4.556 12.423 1.00 0.40 N ATOM 326 C4 DC A 11 -2.817 -4.324 13.217 1.00 0.39 C ATOM 327 N4 DC A 11 -1.797 -5.180 13.165 1.00 0.42 N ATOM 328 C5 DC A 11 -2.771 -3.204 14.098 1.00 0.38 C ATOM 329 C6 DC A 11 -3.826 -2.383 14.102 1.00 0.41 C ATOM 0 H5' DC A 11 -4.352 1.672 12.910 1.00 0.55 H new ATOM 0 H5'' DC A 11 -5.439 2.589 13.935 1.00 0.55 H new ATOM 0 H4' DC A 11 -6.860 1.268 12.748 1.00 0.62 H new ATOM 0 H3' DC A 11 -6.873 0.723 15.444 1.00 0.70 H new ATOM 0 H2' DC A 11 -5.688 -1.365 15.427 1.00 0.64 H new ATOM 0 H2'' DC A 11 -7.293 -1.965 15.060 1.00 0.64 H new ATOM 0 H1' DC A 11 -6.865 -2.198 12.816 1.00 0.55 H new ATOM 0 H41 DC A 11 -0.979 -5.035 13.757 1.00 0.42 H new ATOM 0 H42 DC A 11 -1.834 -5.980 12.533 1.00 0.42 H new ATOM 0 H5 DC A 11 -1.918 -3.026 14.736 1.00 0.38 H new ATOM 0 H6 DC A 11 -3.828 -1.526 14.759 1.00 0.41 H new ATOM 341 P DC A 12 -9.471 0.462 15.382 1.00 1.11 P ATOM 342 OP1 DC A 12 -10.535 1.302 14.777 1.00 1.28 O ATOM 343 OP2 DC A 12 -8.735 0.958 16.573 1.00 1.20 O ATOM 344 O5' DC A 12 -10.102 -0.954 15.754 1.00 1.20 O ATOM 345 C5' DC A 12 -11.195 -1.492 15.008 1.00 1.25 C ATOM 346 C4' DC A 12 -11.383 -2.956 15.335 1.00 1.31 C ATOM 347 O4' DC A 12 -10.352 -3.713 14.669 1.00 1.20 O ATOM 348 C3' DC A 12 -11.261 -3.345 16.808 1.00 1.42 C ATOM 349 O3' DC A 12 -12.530 -3.248 17.460 1.00 1.58 O ATOM 350 C2' DC A 12 -10.811 -4.797 16.738 1.00 1.43 C ATOM 351 C1' DC A 12 -10.080 -4.902 15.395 1.00 1.27 C ATOM 352 N1 DC A 12 -8.617 -5.043 15.487 1.00 1.15 N ATOM 353 C2 DC A 12 -8.015 -6.176 14.935 1.00 1.12 C ATOM 354 O2 DC A 12 -8.731 -7.032 14.400 1.00 1.18 O ATOM 355 N3 DC A 12 -6.670 -6.310 15.000 1.00 1.05 N ATOM 356 C4 DC A 12 -5.936 -5.367 15.594 1.00 1.00 C ATOM 357 N4 DC A 12 -4.615 -5.540 15.638 1.00 0.96 N ATOM 358 C5 DC A 12 -6.524 -4.205 16.170 1.00 1.03 C ATOM 359 C6 DC A 12 -7.855 -4.085 16.092 1.00 1.10 C ATOM 0 H5' DC A 12 -11.010 -1.372 13.941 1.00 1.25 H new ATOM 0 H5'' DC A 12 -12.107 -0.941 15.237 1.00 1.25 H new ATOM 0 H4' DC A 12 -12.404 -3.166 15.018 1.00 1.31 H new ATOM 0 H3' DC A 12 -10.580 -2.705 17.369 1.00 1.42 H new ATOM 0 H2' DC A 12 -10.154 -5.050 17.570 1.00 1.43 H new ATOM 0 H2'' DC A 12 -11.660 -5.479 16.783 1.00 1.43 H new ATOM 0 HO3' DC A 12 -12.434 -3.502 18.402 1.00 1.58 H new ATOM 0 H1' DC A 12 -10.444 -5.811 14.916 1.00 1.27 H new ATOM 0 H41 DC A 12 -4.023 -4.839 16.084 1.00 0.96 H new ATOM 0 H42 DC A 12 -4.196 -6.373 15.225 1.00 0.96 H new ATOM 0 H5 DC A 12 -5.920 -3.450 16.651 1.00 1.03 H new ATOM 0 H6 DC A 12 -8.335 -3.215 16.515 1.00 1.10 H new TER 372 DC A 12 ATOM 373 O5' DG B 13 -1.529 -15.264 12.159 1.00 1.84 O ATOM 374 C5' DG B 13 -2.720 -16.022 11.933 1.00 1.87 C ATOM 375 C4' DG B 13 -3.808 -15.158 11.338 1.00 1.58 C ATOM 376 O4' DG B 13 -4.163 -14.134 12.290 1.00 1.49 O ATOM 377 C3' DG B 13 -3.424 -14.407 10.066 1.00 1.32 C ATOM 378 O3' DG B 13 -3.788 -15.176 8.913 1.00 1.23 O ATOM 379 C2' DG B 13 -4.251 -13.132 10.137 1.00 1.18 C ATOM 380 C1' DG B 13 -4.623 -12.977 11.609 1.00 1.27 C ATOM 381 N9 DG B 13 -4.033 -11.814 12.265 1.00 1.18 N ATOM 382 C8 DG B 13 -2.704 -11.590 12.526 1.00 1.18 C ATOM 383 N7 DG B 13 -2.483 -10.459 13.138 1.00 1.11 N ATOM 384 C5 DG B 13 -3.747 -9.901 13.290 1.00 1.07 C ATOM 385 C6 DG B 13 -4.149 -8.677 13.887 1.00 1.02 C ATOM 386 O6 DG B 13 -3.445 -7.807 14.413 1.00 0.98 O ATOM 387 N1 DG B 13 -5.529 -8.509 13.830 1.00 1.04 N ATOM 388 C2 DG B 13 -6.407 -9.398 13.264 1.00 1.10 C ATOM 389 N2 DG B 13 -7.698 -9.057 13.298 1.00 1.15 N ATOM 390 N3 DG B 13 -6.047 -10.538 12.703 1.00 1.14 N ATOM 391 C4 DG B 13 -4.713 -10.725 12.753 1.00 1.12 C ATOM 0 H5' DG B 13 -3.066 -16.452 12.873 1.00 1.87 H new ATOM 0 H5'' DG B 13 -2.504 -16.854 11.263 1.00 1.87 H new ATOM 0 H4' DG B 13 -4.610 -15.855 11.095 1.00 1.58 H new ATOM 0 H3' DG B 13 -2.354 -14.213 9.989 1.00 1.32 H new ATOM 0 H2' DG B 13 -3.681 -12.273 9.782 1.00 1.18 H new ATOM 0 H2'' DG B 13 -5.141 -13.205 9.512 1.00 1.18 H new ATOM 0 HO5' DG B 13 -0.840 -15.844 12.546 1.00 1.84 H new ATOM 0 H1' DG B 13 -5.704 -12.843 11.648 1.00 1.27 H new ATOM 0 H8 DG B 13 -1.920 -12.281 12.252 1.00 1.18 H new ATOM 0 H1 DG B 13 -5.917 -7.660 14.240 1.00 1.04 H new ATOM 0 H21 DG B 13 -8.400 -9.677 12.893 1.00 1.15 H new ATOM 0 H22 DG B 13 -7.982 -8.177 13.729 1.00 1.15 H new ATOM 404 P DG B 14 -3.187 -14.794 7.470 1.00 1.11 P ATOM 405 OP1 DG B 14 -3.320 -15.981 6.587 1.00 1.21 O ATOM 406 OP2 DG B 14 -1.849 -14.184 7.681 1.00 1.27 O ATOM 407 O5' DG B 14 -4.165 -13.659 6.926 1.00 0.86 O ATOM 408 C5' DG B 14 -5.583 -13.774 7.070 1.00 0.85 C ATOM 409 C4' DG B 14 -6.239 -12.424 6.876 1.00 0.76 C ATOM 410 O4' DG B 14 -5.842 -11.546 7.963 1.00 0.73 O ATOM 411 C3' DG B 14 -5.856 -11.667 5.601 1.00 0.71 C ATOM 412 O3' DG B 14 -6.960 -10.850 5.183 1.00 0.65 O ATOM 413 C2' DG B 14 -4.687 -10.831 6.071 1.00 0.68 C ATOM 414 C1' DG B 14 -5.221 -10.392 7.412 1.00 0.65 C ATOM 415 N9 DG B 14 -4.189 -9.933 8.331 1.00 0.65 N ATOM 416 C8 DG B 14 -2.985 -10.535 8.569 1.00 0.72 C ATOM 417 N7 DG B 14 -2.250 -9.897 9.438 1.00 0.70 N ATOM 418 C5 DG B 14 -3.023 -8.798 9.792 1.00 0.60 C ATOM 419 C6 DG B 14 -2.759 -7.736 10.695 1.00 0.54 C ATOM 420 O6 DG B 14 -1.755 -7.546 11.392 1.00 0.56 O ATOM 421 N1 DG B 14 -3.815 -6.832 10.743 1.00 0.47 N ATOM 422 C2 DG B 14 -4.977 -6.939 10.021 1.00 0.47 C ATOM 423 N2 DG B 14 -5.881 -5.972 10.201 1.00 0.46 N ATOM 424 N3 DG B 14 -5.237 -7.922 9.181 1.00 0.52 N ATOM 425 C4 DG B 14 -4.224 -8.809 9.116 1.00 0.57 C ATOM 0 H5' DG B 14 -5.825 -14.165 8.058 1.00 0.85 H new ATOM 0 H5'' DG B 14 -5.973 -14.484 6.341 1.00 0.85 H new ATOM 0 H4' DG B 14 -7.303 -12.654 6.827 1.00 0.76 H new ATOM 0 H3' DG B 14 -5.609 -12.297 4.746 1.00 0.71 H new ATOM 0 H2' DG B 14 -3.766 -11.408 6.155 1.00 0.68 H new ATOM 0 H2'' DG B 14 -4.478 -9.992 5.408 1.00 0.68 H new ATOM 0 H1' DG B 14 -5.894 -9.546 7.272 1.00 0.65 H new ATOM 0 H8 DG B 14 -2.673 -11.449 8.085 1.00 0.72 H new ATOM 0 H1 DG B 14 -3.718 -6.028 11.363 1.00 0.47 H new ATOM 0 H21 DG B 14 -6.764 -5.998 9.691 1.00 0.46 H new ATOM 0 H22 DG B 14 -5.688 -5.208 10.848 1.00 0.46 H new ATOM 437 P DA B 15 -6.829 -9.920 3.877 1.00 0.64 P ATOM 438 OP1 DA B 15 -7.932 -10.303 2.959 1.00 0.71 O ATOM 439 OP2 DA B 15 -5.427 -9.950 3.387 1.00 0.65 O ATOM 440 O5' DA B 15 -7.137 -8.454 4.421 1.00 0.57 O ATOM 441 C5' DA B 15 -8.182 -8.222 5.370 1.00 0.56 C ATOM 442 C4' DA B 15 -8.678 -6.795 5.267 1.00 0.52 C ATOM 443 O4' DA B 15 -7.965 -5.980 6.225 1.00 0.49 O ATOM 444 C3' DA B 15 -8.435 -6.107 3.927 1.00 0.52 C ATOM 445 O3' DA B 15 -9.355 -5.020 3.756 1.00 0.53 O ATOM 446 C2' DA B 15 -7.016 -5.593 4.083 1.00 0.49 C ATOM 447 C1' DA B 15 -6.950 -5.226 5.564 1.00 0.46 C ATOM 448 N9 DA B 15 -5.675 -5.553 6.201 1.00 0.44 N ATOM 449 C8 DA B 15 -4.976 -6.722 6.063 1.00 0.47 C ATOM 450 N7 DA B 15 -3.879 -6.771 6.779 1.00 0.46 N ATOM 451 C5 DA B 15 -3.847 -5.542 7.423 1.00 0.40 C ATOM 452 C6 DA B 15 -2.938 -4.973 8.334 1.00 0.37 C ATOM 453 N6 DA B 15 -1.853 -5.599 8.790 1.00 0.40 N ATOM 454 N1 DA B 15 -3.192 -3.724 8.777 1.00 0.33 N ATOM 455 C2 DA B 15 -4.289 -3.098 8.336 1.00 0.34 C ATOM 456 N3 DA B 15 -5.228 -3.533 7.496 1.00 0.37 N ATOM 457 C4 DA B 15 -4.943 -4.776 7.068 1.00 0.39 C ATOM 0 H5' DA B 15 -7.816 -8.415 6.378 1.00 0.56 H new ATOM 0 H5'' DA B 15 -9.005 -8.914 5.191 1.00 0.56 H new ATOM 0 H4' DA B 15 -9.753 -6.874 5.429 1.00 0.52 H new ATOM 0 H3' DA B 15 -8.570 -6.756 3.061 1.00 0.52 H new ATOM 0 H2' DA B 15 -6.280 -6.353 3.821 1.00 0.49 H new ATOM 0 H2'' DA B 15 -6.825 -4.731 3.444 1.00 0.49 H new ATOM 0 H1' DA B 15 -7.078 -4.146 5.641 1.00 0.46 H new ATOM 0 H8 DA B 15 -5.299 -7.530 5.423 1.00 0.47 H new ATOM 0 H61 DA B 15 -1.233 -5.130 9.450 1.00 0.40 H new ATOM 0 H62 DA B 15 -1.643 -6.547 8.478 1.00 0.40 H new ATOM 0 H2 DA B 15 -4.435 -2.097 8.715 1.00 0.34 H new ATOM 469 P DG B 16 -9.149 -3.978 2.546 1.00 0.56 P ATOM 470 OP1 DG B 16 -10.489 -3.493 2.127 1.00 0.63 O ATOM 471 OP2 DG B 16 -8.254 -4.609 1.543 1.00 0.57 O ATOM 472 O5' DG B 16 -8.367 -2.759 3.212 1.00 0.51 O ATOM 473 C5' DG B 16 -9.029 -1.870 4.115 1.00 0.53 C ATOM 474 C4' DG B 16 -8.091 -0.771 4.559 1.00 0.49 C ATOM 475 O4' DG B 16 -6.919 -1.366 5.166 1.00 0.46 O ATOM 476 C3' DG B 16 -7.574 0.146 3.442 1.00 0.48 C ATOM 477 O3' DG B 16 -7.877 1.511 3.767 1.00 0.50 O ATOM 478 C2' DG B 16 -6.067 -0.088 3.433 1.00 0.45 C ATOM 479 C1' DG B 16 -5.803 -0.568 4.842 1.00 0.43 C ATOM 480 N9 DG B 16 -4.599 -1.377 5.005 1.00 0.42 N ATOM 481 C8 DG B 16 -4.276 -2.530 4.334 1.00 0.43 C ATOM 482 N7 DG B 16 -3.134 -3.039 4.703 1.00 0.42 N ATOM 483 C5 DG B 16 -2.668 -2.162 5.672 1.00 0.40 C ATOM 484 C6 DG B 16 -1.472 -2.184 6.427 1.00 0.39 C ATOM 485 O6 DG B 16 -0.557 -3.013 6.393 1.00 0.41 O ATOM 486 N1 DG B 16 -1.394 -1.101 7.295 1.00 0.38 N ATOM 487 C2 DG B 16 -2.345 -0.120 7.418 1.00 0.38 C ATOM 488 N2 DG B 16 -2.087 0.843 8.311 1.00 0.39 N ATOM 489 N3 DG B 16 -3.465 -0.085 6.719 1.00 0.39 N ATOM 490 C4 DG B 16 -3.560 -1.130 5.870 1.00 0.40 C ATOM 0 H5' DG B 16 -9.387 -2.424 4.983 1.00 0.53 H new ATOM 0 H5'' DG B 16 -9.904 -1.436 3.631 1.00 0.53 H new ATOM 0 H4' DG B 16 -8.685 -0.160 5.239 1.00 0.49 H new ATOM 0 H3' DG B 16 -8.025 -0.059 2.471 1.00 0.48 H new ATOM 0 H2' DG B 16 -5.776 -0.830 2.690 1.00 0.45 H new ATOM 0 H2'' DG B 16 -5.516 0.824 3.205 1.00 0.45 H new ATOM 0 H1' DG B 16 -5.650 0.301 5.481 1.00 0.43 H new ATOM 0 H8 DG B 16 -4.905 -2.972 3.576 1.00 0.43 H new ATOM 0 H1 DG B 16 -0.566 -1.030 7.886 1.00 0.38 H new ATOM 0 H21 DG B 16 -2.754 1.602 8.450 1.00 0.39 H new ATOM 0 H22 DG B 16 -1.223 0.818 8.852 1.00 0.39 H new ATOM 502 P DG B 17 -7.190 2.711 2.941 1.00 0.51 P ATOM 503 OP1 DG B 17 -8.161 3.831 2.865 1.00 0.58 O ATOM 504 OP2 DG B 17 -6.623 2.148 1.687 1.00 0.49 O ATOM 505 O5' DG B 17 -5.981 3.169 3.874 1.00 0.53 O ATOM 506 C5' DG B 17 -6.115 3.170 5.299 1.00 0.55 C ATOM 507 C4' DG B 17 -5.147 4.150 5.921 1.00 0.53 C ATOM 508 O4' DG B 17 -3.956 3.434 6.327 1.00 0.50 O ATOM 509 C3' DG B 17 -4.682 5.282 5.005 1.00 0.52 C ATOM 510 O3' DG B 17 -4.601 6.510 5.734 1.00 0.55 O ATOM 511 C2' DG B 17 -3.297 4.851 4.550 1.00 0.47 C ATOM 512 C1' DG B 17 -2.810 3.891 5.627 1.00 0.47 C ATOM 513 N9 DG B 17 -2.110 2.718 5.111 1.00 0.44 N ATOM 514 C8 DG B 17 -2.549 1.864 4.131 1.00 0.43 C ATOM 515 N7 DG B 17 -1.715 0.893 3.881 1.00 0.41 N ATOM 516 C5 DG B 17 -0.656 1.120 4.748 1.00 0.41 C ATOM 517 C6 DG B 17 0.550 0.399 4.929 1.00 0.41 C ATOM 518 O6 DG B 17 0.934 -0.615 4.337 1.00 0.40 O ATOM 519 N1 DG B 17 1.349 0.971 5.913 1.00 0.43 N ATOM 520 C2 DG B 17 1.028 2.097 6.631 1.00 0.44 C ATOM 521 N2 DG B 17 1.917 2.486 7.557 1.00 0.47 N ATOM 522 N3 DG B 17 -0.088 2.790 6.461 1.00 0.45 N ATOM 523 C4 DG B 17 -0.880 2.246 5.513 1.00 0.43 C ATOM 0 H5' DG B 17 -5.929 2.169 5.688 1.00 0.55 H new ATOM 0 H5'' DG B 17 -7.136 3.434 5.574 1.00 0.55 H new ATOM 0 H4' DG B 17 -5.696 4.604 6.746 1.00 0.53 H new ATOM 0 H3' DG B 17 -5.364 5.452 4.172 1.00 0.52 H new ATOM 0 H2' DG B 17 -3.335 4.364 3.575 1.00 0.47 H new ATOM 0 H2'' DG B 17 -2.629 5.707 4.453 1.00 0.47 H new ATOM 0 H1' DG B 17 -2.099 4.434 6.249 1.00 0.47 H new ATOM 0 H8 DG B 17 -3.492 1.984 3.618 1.00 0.43 H new ATOM 0 H1 DG B 17 2.241 0.520 6.117 1.00 0.43 H new ATOM 0 H21 DG B 17 1.735 3.315 8.122 1.00 0.47 H new ATOM 0 H22 DG B 17 2.775 1.953 7.696 1.00 0.47 H new ATOM 535 P DC B 18 -4.516 7.906 4.939 1.00 0.52 P ATOM 536 OP1 DC B 18 -4.955 8.969 5.878 1.00 0.57 O ATOM 537 OP2 DC B 18 -5.206 7.753 3.632 1.00 0.52 O ATOM 538 O5' DC B 18 -2.959 8.100 4.664 1.00 0.48 O ATOM 539 C5' DC B 18 -2.126 8.779 5.605 1.00 0.50 C ATOM 540 C4' DC B 18 -0.673 8.445 5.358 1.00 0.45 C ATOM 541 O4' DC B 18 -0.577 7.064 4.935 1.00 0.43 O ATOM 542 C3' DC B 18 0.006 9.279 4.264 1.00 0.44 C ATOM 543 O3' DC B 18 1.211 9.872 4.765 1.00 0.44 O ATOM 544 C2' DC B 18 0.335 8.273 3.172 1.00 0.49 C ATOM 545 C1' DC B 18 0.408 6.966 3.932 1.00 0.43 C ATOM 546 N1 DC B 18 0.133 5.755 3.138 1.00 0.42 N ATOM 547 C2 DC B 18 1.121 4.773 3.058 1.00 0.40 C ATOM 548 O2 DC B 18 2.190 4.952 3.654 1.00 0.40 O ATOM 549 N3 DC B 18 0.889 3.655 2.334 1.00 0.39 N ATOM 550 C4 DC B 18 -0.277 3.501 1.704 1.00 0.41 C ATOM 551 N4 DC B 18 -0.461 2.382 1.001 1.00 0.41 N ATOM 552 C5 DC B 18 -1.304 4.487 1.766 1.00 0.43 C ATOM 553 C6 DC B 18 -1.059 5.588 2.489 1.00 0.44 C ATOM 0 H5' DC B 18 -2.404 8.493 6.619 1.00 0.50 H new ATOM 0 H5'' DC B 18 -2.277 9.855 5.524 1.00 0.50 H new ATOM 0 H4' DC B 18 -0.167 8.657 6.300 1.00 0.45 H new ATOM 0 H3' DC B 18 -0.626 10.093 3.910 1.00 0.44 H new ATOM 0 H2' DC B 18 -0.433 8.249 2.399 1.00 0.49 H new ATOM 0 H2'' DC B 18 1.278 8.507 2.677 1.00 0.49 H new ATOM 0 H1' DC B 18 1.430 6.844 4.292 1.00 0.43 H new ATOM 0 H41 DC B 18 -1.340 2.229 0.506 1.00 0.41 H new ATOM 0 H42 DC B 18 0.277 1.679 0.959 1.00 0.41 H new ATOM 0 H5 DC B 18 -2.243 4.352 1.250 1.00 0.43 H new ATOM 0 H6 DC B 18 -1.815 6.356 2.560 1.00 0.44 H new ATOM 565 P DC B 19 2.127 10.769 3.792 1.00 0.51 P ATOM 566 OP1 DC B 19 3.007 11.596 4.655 1.00 0.65 O ATOM 567 OP2 DC B 19 1.245 11.431 2.796 1.00 0.59 O ATOM 568 O5' DC B 19 3.032 9.706 3.019 1.00 0.45 O ATOM 569 C5' DC B 19 4.276 9.263 3.565 1.00 0.64 C ATOM 570 C4' DC B 19 5.174 8.728 2.470 1.00 0.62 C ATOM 571 O4' DC B 19 4.719 7.416 2.067 1.00 0.59 O ATOM 572 C3' DC B 19 5.226 9.574 1.193 1.00 0.60 C ATOM 573 O3' DC B 19 6.578 9.994 0.966 1.00 0.63 O ATOM 574 C2' DC B 19 4.747 8.638 0.089 1.00 0.54 C ATOM 575 C1' DC B 19 4.932 7.257 0.680 1.00 0.55 C ATOM 576 N1 DC B 19 4.002 6.218 0.204 1.00 0.52 N ATOM 577 C2 DC B 19 4.530 5.027 -0.298 1.00 0.52 C ATOM 578 O2 DC B 19 5.761 4.899 -0.370 1.00 0.55 O ATOM 579 N3 DC B 19 3.691 4.045 -0.692 1.00 0.51 N ATOM 580 C4 DC B 19 2.371 4.223 -0.607 1.00 0.49 C ATOM 581 N4 DC B 19 1.582 3.229 -1.017 1.00 0.49 N ATOM 582 C5 DC B 19 1.803 5.429 -0.105 1.00 0.48 C ATOM 583 C6 DC B 19 2.648 6.395 0.275 1.00 0.50 C ATOM 0 H5' DC B 19 4.098 8.487 4.309 1.00 0.64 H new ATOM 0 H5'' DC B 19 4.770 10.089 4.078 1.00 0.64 H new ATOM 0 H4' DC B 19 6.170 8.730 2.913 1.00 0.62 H new ATOM 0 H3' DC B 19 4.613 10.474 1.244 1.00 0.60 H new ATOM 0 H2' DC B 19 3.705 8.826 -0.170 1.00 0.54 H new ATOM 0 H2'' DC B 19 5.330 8.764 -0.823 1.00 0.54 H new ATOM 0 H1' DC B 19 5.922 6.907 0.386 1.00 0.55 H new ATOM 0 H41 DC B 19 0.568 3.329 -0.967 1.00 0.49 H new ATOM 0 H42 DC B 19 1.992 2.369 -1.380 1.00 0.49 H new ATOM 0 H5 DC B 19 0.733 5.559 -0.034 1.00 0.48 H new ATOM 0 H6 DC B 19 2.254 7.330 0.644 1.00 0.50 H new ATOM 595 P DT B 20 6.987 10.665 -0.436 1.00 0.64 P ATOM 596 OP1 DT B 20 8.344 11.246 -0.272 1.00 0.71 O ATOM 597 OP2 DT B 20 5.868 11.532 -0.885 1.00 0.62 O ATOM 598 O5' DT B 20 7.089 9.427 -1.434 1.00 0.63 O ATOM 599 C5' DT B 20 8.148 8.472 -1.328 1.00 0.63 C ATOM 600 C4' DT B 20 8.425 7.852 -2.679 1.00 0.58 C ATOM 601 O4' DT B 20 7.530 6.726 -2.879 1.00 0.55 O ATOM 602 C3' DT B 20 8.202 8.765 -3.892 1.00 0.54 C ATOM 603 O3' DT B 20 9.191 8.493 -4.894 1.00 0.53 O ATOM 604 C2' DT B 20 6.822 8.356 -4.366 1.00 0.49 C ATOM 605 C1' DT B 20 6.923 6.859 -4.151 1.00 0.49 C ATOM 606 N1 DT B 20 5.655 6.090 -4.141 1.00 0.46 N ATOM 607 C2 DT B 20 5.743 4.740 -4.401 1.00 0.46 C ATOM 608 O2 DT B 20 6.799 4.177 -4.630 1.00 0.47 O ATOM 609 N3 DT B 20 4.547 4.070 -4.381 1.00 0.45 N ATOM 610 C4 DT B 20 3.301 4.600 -4.129 1.00 0.44 C ATOM 611 O4 DT B 20 2.318 3.864 -4.111 1.00 0.45 O ATOM 612 C5 DT B 20 3.277 6.025 -3.872 1.00 0.45 C ATOM 613 C7 DT B 20 1.957 6.706 -3.699 1.00 0.46 C ATOM 614 C6 DT B 20 4.440 6.693 -3.885 1.00 0.46 C ATOM 0 H5' DT B 20 7.878 7.696 -0.611 1.00 0.63 H new ATOM 0 H5'' DT B 20 9.048 8.956 -0.950 1.00 0.63 H new ATOM 0 H4' DT B 20 9.483 7.595 -2.640 1.00 0.58 H new ATOM 0 H3' DT B 20 8.278 9.829 -3.669 1.00 0.54 H new ATOM 0 H2' DT B 20 6.024 8.812 -3.779 1.00 0.49 H new ATOM 0 H2'' DT B 20 6.641 8.619 -5.408 1.00 0.49 H new ATOM 0 H1' DT B 20 7.469 6.443 -4.997 1.00 0.49 H new ATOM 0 H3 DT B 20 4.584 3.069 -4.574 1.00 0.45 H new ATOM 0 H71 DT B 20 2.072 7.557 -3.028 1.00 0.46 H new ATOM 0 H72 DT B 20 1.597 7.053 -4.667 1.00 0.46 H new ATOM 0 H73 DT B 20 1.238 6.004 -3.275 1.00 0.46 H new ATOM 0 H6 DT B 20 4.425 7.754 -3.685 1.00 0.46 H new ATOM 627 P DG B 21 9.144 9.267 -6.305 1.00 0.53 P ATOM 628 OP1 DG B 21 10.503 9.817 -6.540 1.00 0.64 O ATOM 629 OP2 DG B 21 7.973 10.181 -6.322 1.00 0.54 O ATOM 630 O5' DG B 21 8.889 8.109 -7.371 1.00 0.49 O ATOM 631 C5' DG B 21 9.976 7.343 -7.897 1.00 0.57 C ATOM 632 C4' DG B 21 9.498 6.441 -9.013 1.00 0.60 C ATOM 633 O4' DG B 21 8.468 5.559 -8.501 1.00 0.54 O ATOM 634 C3' DG B 21 8.885 7.162 -10.220 1.00 0.63 C ATOM 635 O3' DG B 21 9.523 6.718 -11.423 1.00 0.74 O ATOM 636 C2' DG B 21 7.418 6.753 -10.201 1.00 0.56 C ATOM 637 C1' DG B 21 7.438 5.433 -9.460 1.00 0.53 C ATOM 638 N9 DG B 21 6.208 5.080 -8.754 1.00 0.47 N ATOM 639 C8 DG B 21 5.386 5.912 -8.033 1.00 0.42 C ATOM 640 N7 DG B 21 4.381 5.293 -7.480 1.00 0.42 N ATOM 641 C5 DG B 21 4.535 3.972 -7.876 1.00 0.44 C ATOM 642 C6 DG B 21 3.740 2.835 -7.597 1.00 0.47 C ATOM 643 O6 DG B 21 2.711 2.762 -6.917 1.00 0.49 O ATOM 644 N1 DG B 21 4.250 1.694 -8.203 1.00 0.51 N ATOM 645 C2 DG B 21 5.378 1.653 -8.984 1.00 0.54 C ATOM 646 N2 DG B 21 5.705 0.456 -9.487 1.00 0.60 N ATOM 647 N3 DG B 21 6.130 2.706 -9.253 1.00 0.53 N ATOM 648 C4 DG B 21 5.652 3.825 -8.670 1.00 0.47 C ATOM 0 H5' DG B 21 10.424 6.744 -7.104 1.00 0.57 H new ATOM 0 H5'' DG B 21 10.753 8.011 -8.269 1.00 0.57 H new ATOM 0 H4' DG B 21 10.394 5.924 -9.356 1.00 0.60 H new ATOM 0 H3' DG B 21 9.007 8.244 -10.178 1.00 0.63 H new ATOM 0 H2' DG B 21 6.800 7.492 -9.691 1.00 0.56 H new ATOM 0 H2'' DG B 21 7.017 6.643 -11.209 1.00 0.56 H new ATOM 0 H1' DG B 21 7.576 4.643 -10.198 1.00 0.53 H new ATOM 0 H8 DG B 21 5.556 6.974 -7.934 1.00 0.42 H new ATOM 0 H1 DG B 21 3.747 0.819 -8.056 1.00 0.51 H new ATOM 0 H21 DG B 21 6.532 0.359 -10.076 1.00 0.60 H new ATOM 0 H22 DG B 21 5.127 -0.359 -9.282 1.00 0.60 H new ATOM 660 P DA B 22 9.048 7.300 -12.846 1.00 0.87 P ATOM 661 OP1 DA B 22 10.274 7.638 -13.613 1.00 1.02 O ATOM 662 OP2 DA B 22 8.014 8.342 -12.621 1.00 0.88 O ATOM 663 O5' DA B 22 8.353 6.053 -13.555 1.00 0.89 O ATOM 664 C5' DA B 22 8.755 4.716 -13.249 1.00 0.86 C ATOM 665 C4' DA B 22 7.820 3.722 -13.899 1.00 0.87 C ATOM 666 O4' DA B 22 6.789 3.364 -12.946 1.00 0.81 O ATOM 667 C3' DA B 22 7.089 4.225 -15.148 1.00 0.95 C ATOM 668 O3' DA B 22 7.075 3.200 -16.149 1.00 1.06 O ATOM 669 C2' DA B 22 5.685 4.520 -14.648 1.00 0.84 C ATOM 670 C1' DA B 22 5.514 3.500 -13.546 1.00 0.75 C ATOM 671 N9 DA B 22 4.564 3.887 -12.507 1.00 0.63 N ATOM 672 C8 DA B 22 4.447 5.115 -11.911 1.00 0.59 C ATOM 673 N7 DA B 22 3.513 5.172 -10.994 1.00 0.49 N ATOM 674 C5 DA B 22 2.970 3.894 -10.994 1.00 0.46 C ATOM 675 C6 DA B 22 1.929 3.308 -10.255 1.00 0.41 C ATOM 676 N6 DA B 22 1.212 3.958 -9.337 1.00 0.38 N ATOM 677 N1 DA B 22 1.640 2.012 -10.500 1.00 0.45 N ATOM 678 C2 DA B 22 2.350 1.360 -11.429 1.00 0.51 C ATOM 679 N3 DA B 22 3.339 1.806 -12.198 1.00 0.57 N ATOM 680 C4 DA B 22 3.606 3.094 -11.925 1.00 0.55 C ATOM 0 H5' DA B 22 8.758 4.569 -12.169 1.00 0.86 H new ATOM 0 H5'' DA B 22 9.774 4.547 -13.597 1.00 0.86 H new ATOM 0 H4' DA B 22 8.459 2.894 -14.205 1.00 0.87 H new ATOM 0 H3' DA B 22 7.558 5.096 -15.605 1.00 0.95 H new ATOM 0 H2' DA B 22 5.592 5.540 -14.276 1.00 0.84 H new ATOM 0 H2'' DA B 22 4.940 4.398 -15.434 1.00 0.84 H new ATOM 0 H1' DA B 22 5.120 2.584 -13.987 1.00 0.75 H new ATOM 0 H8 DA B 22 5.068 5.959 -12.173 1.00 0.59 H new ATOM 0 H61 DA B 22 0.468 3.474 -8.834 1.00 0.38 H new ATOM 0 H62 DA B 22 1.408 4.939 -9.138 1.00 0.38 H new ATOM 0 H2 DA B 22 2.081 0.324 -11.575 1.00 0.51 H new ATOM 692 P DG B 23 6.308 3.449 -17.540 1.00 1.18 P ATOM 693 OP1 DG B 23 6.783 2.417 -18.496 1.00 1.32 O ATOM 694 OP2 DG B 23 6.427 4.887 -17.893 1.00 1.32 O ATOM 695 O5' DG B 23 4.783 3.143 -17.197 1.00 0.99 O ATOM 696 C5' DG B 23 4.375 1.853 -16.734 1.00 0.86 C ATOM 697 C4' DG B 23 2.876 1.708 -16.843 1.00 0.75 C ATOM 698 O4' DG B 23 2.282 2.074 -15.574 1.00 0.64 O ATOM 699 C3' DG B 23 2.217 2.603 -17.901 1.00 0.85 C ATOM 700 O3' DG B 23 1.441 1.812 -18.808 1.00 0.91 O ATOM 701 C2' DG B 23 1.316 3.530 -17.101 1.00 0.80 C ATOM 702 C1' DG B 23 1.076 2.757 -15.827 1.00 0.66 C ATOM 703 N9 DG B 23 0.767 3.596 -14.676 1.00 0.59 N ATOM 704 C8 DG B 23 1.318 4.818 -14.384 1.00 0.61 C ATOM 705 N7 DG B 23 0.823 5.363 -13.307 1.00 0.55 N ATOM 706 C5 DG B 23 -0.110 4.439 -12.855 1.00 0.51 C ATOM 707 C6 DG B 23 -0.971 4.477 -11.728 1.00 0.49 C ATOM 708 O6 DG B 23 -1.086 5.364 -10.874 1.00 0.49 O ATOM 709 N1 DG B 23 -1.756 3.332 -11.645 1.00 0.51 N ATOM 710 C2 DG B 23 -1.714 2.281 -12.528 1.00 0.52 C ATOM 711 N2 DG B 23 -2.543 1.263 -12.280 1.00 0.56 N ATOM 712 N3 DG B 23 -0.915 2.231 -13.580 1.00 0.53 N ATOM 713 C4 DG B 23 -0.148 3.337 -13.684 1.00 0.53 C ATOM 0 H5' DG B 23 4.686 1.715 -15.699 1.00 0.86 H new ATOM 0 H5'' DG B 23 4.866 1.076 -17.320 1.00 0.86 H new ATOM 0 H4' DG B 23 2.706 0.671 -17.131 1.00 0.75 H new ATOM 0 H3' DG B 23 2.946 3.146 -18.503 1.00 0.85 H new ATOM 0 H2' DG B 23 1.795 4.489 -16.906 1.00 0.80 H new ATOM 0 H2'' DG B 23 0.385 3.740 -17.627 1.00 0.80 H new ATOM 0 H1' DG B 23 0.211 2.108 -15.962 1.00 0.66 H new ATOM 0 H8 DG B 23 2.085 5.283 -14.986 1.00 0.61 H new ATOM 0 H1 DG B 23 -2.414 3.268 -10.868 1.00 0.51 H new ATOM 0 H21 DG B 23 -2.557 0.454 -12.901 1.00 0.56 H new ATOM 0 H22 DG B 23 -3.162 1.295 -11.470 1.00 0.56 H new ATOM 725 P DG B 24 0.771 2.501 -20.099 1.00 1.06 P ATOM 726 OP1 DG B 24 1.102 1.674 -21.287 1.00 1.15 O ATOM 727 OP2 DG B 24 1.126 3.943 -20.088 1.00 1.15 O ATOM 728 O5' DG B 24 -0.795 2.380 -19.831 1.00 1.07 O ATOM 729 C5' DG B 24 -1.407 1.108 -19.616 1.00 1.04 C ATOM 730 C4' DG B 24 -2.841 1.284 -19.174 1.00 1.08 C ATOM 731 O4' DG B 24 -2.857 2.039 -17.939 1.00 0.99 O ATOM 732 C3' DG B 24 -3.736 2.049 -20.157 1.00 1.26 C ATOM 733 O3' DG B 24 -4.934 1.312 -20.411 1.00 1.35 O ATOM 734 C2' DG B 24 -4.067 3.348 -19.436 1.00 1.25 C ATOM 735 C1' DG B 24 -3.917 2.968 -17.979 1.00 1.08 C ATOM 736 N9 DG B 24 -3.586 4.067 -17.075 1.00 1.03 N ATOM 737 C8 DG B 24 -2.585 4.998 -17.220 1.00 1.06 C ATOM 738 N7 DG B 24 -2.539 5.861 -16.242 1.00 1.04 N ATOM 739 C5 DG B 24 -3.570 5.474 -15.396 1.00 0.99 C ATOM 740 C6 DG B 24 -4.008 6.028 -14.165 1.00 0.96 C ATOM 741 O6 DG B 24 -3.559 7.007 -13.558 1.00 0.98 O ATOM 742 N1 DG B 24 -5.084 5.322 -13.640 1.00 0.95 N ATOM 743 C2 DG B 24 -5.667 4.225 -14.223 1.00 0.97 C ATOM 744 N2 DG B 24 -6.695 3.681 -13.563 1.00 1.00 N ATOM 745 N3 DG B 24 -5.272 3.699 -15.370 1.00 0.99 N ATOM 746 C4 DG B 24 -4.225 4.368 -15.897 1.00 0.99 C ATOM 0 H5' DG B 24 -0.852 0.553 -18.860 1.00 1.04 H new ATOM 0 H5'' DG B 24 -1.372 0.520 -20.533 1.00 1.04 H new ATOM 0 H4' DG B 24 -3.238 0.273 -19.084 1.00 1.08 H new ATOM 0 H3' DG B 24 -3.251 2.214 -21.119 1.00 1.26 H new ATOM 0 H2' DG B 24 -3.386 4.152 -19.717 1.00 1.25 H new ATOM 0 H2'' DG B 24 -5.076 3.691 -19.663 1.00 1.25 H new ATOM 0 HO3' DG B 24 -5.498 1.811 -21.038 1.00 1.35 H new ATOM 0 H1' DG B 24 -4.879 2.591 -17.633 1.00 1.08 H new ATOM 0 H8 DG B 24 -1.905 5.014 -18.059 1.00 1.06 H new ATOM 0 H1 DG B 24 -5.470 5.644 -12.753 1.00 0.95 H new ATOM 0 H21 DG B 24 -7.171 2.863 -13.945 1.00 1.00 H new ATOM 0 H22 DG B 24 -7.003 4.084 -12.678 1.00 1.00 H new TER 759 DG B 24 HETATM 760 PT1 CPT A 77 3.360 -2.315 -0.562 1.00 0.48 PT HETATM 761 N1 CPT A 77 2.347 -3.251 -2.049 1.00 0.63 N HETATM 762 N2 CPT A 77 1.951 -2.956 0.745 1.00 0.48 N