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= -0.326 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0436 (180deg=-0.0436) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-0.00422) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= -0.107 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 -11.613 6.962 -7.181 1.00 1.50 O ATOM 2 C5' DC A 1 -12.113 6.331 -8.364 1.00 1.49 C ATOM 3 C4' DC A 1 -11.318 5.083 -8.688 1.00 1.35 C ATOM 4 O4' DC A 1 -10.330 5.436 -9.681 1.00 1.27 O ATOM 5 C3' DC A 1 -10.547 4.469 -7.511 1.00 1.28 C ATOM 6 O3' DC A 1 -11.080 3.177 -7.190 1.00 1.35 O ATOM 7 C2' DC A 1 -9.116 4.330 -8.016 1.00 1.12 C ATOM 8 C1' DC A 1 -9.174 4.649 -9.496 1.00 1.12 C ATOM 9 N1 DC A 1 -8.020 5.418 -9.980 1.00 1.05 N ATOM 10 C2 DC A 1 -7.386 5.036 -11.166 1.00 1.00 C ATOM 11 O2 DC A 1 -7.815 4.053 -11.788 1.00 1.01 O ATOM 12 N3 DC A 1 -6.322 5.747 -11.605 1.00 0.97 N ATOM 13 C4 DC A 1 -5.893 6.802 -10.908 1.00 0.99 C ATOM 14 N4 DC A 1 -4.846 7.480 -11.381 1.00 1.00 N ATOM 15 C5 DC A 1 -6.521 7.211 -9.695 1.00 1.04 C ATOM 16 C6 DC A 1 -7.569 6.494 -9.273 1.00 1.06 C ATOM 0 H5' DC A 1 -12.062 7.027 -9.201 1.00 1.49 H new ATOM 0 H5'' DC A 1 -13.163 6.073 -8.227 1.00 1.49 H new ATOM 0 H4' DC A 1 -12.050 4.343 -9.012 1.00 1.35 H new ATOM 0 H3' DC A 1 -10.614 5.079 -6.610 1.00 1.28 H new ATOM 0 H2' DC A 1 -8.448 5.014 -7.493 1.00 1.12 H new ATOM 0 H2'' DC A 1 -8.737 3.322 -7.847 1.00 1.12 H new ATOM 0 HO5' DC A 1 -12.140 7.766 -6.992 1.00 1.50 H new ATOM 0 H1' DC A 1 -9.179 3.711 -10.052 1.00 1.12 H new ATOM 0 H41 DC A 1 -4.492 8.291 -10.874 1.00 1.00 H new ATOM 0 H42 DC A 1 -4.399 7.187 -12.250 1.00 1.00 H new ATOM 0 H5 DC A 1 -6.165 8.066 -9.139 1.00 1.04 H new ATOM 0 H6 DC A 1 -8.067 6.772 -8.356 1.00 1.06 H new ATOM 29 P DC A 2 -10.313 2.234 -6.133 1.00 1.34 P ATOM 30 OP1 DC A 2 -11.291 1.262 -5.582 1.00 1.54 O ATOM 31 OP2 DC A 2 -9.554 3.114 -5.207 1.00 1.30 O ATOM 32 O5' DC A 2 -9.262 1.433 -7.024 1.00 1.20 O ATOM 33 C5' DC A 2 -9.680 0.740 -8.201 1.00 1.22 C ATOM 34 C4' DC A 2 -8.571 -0.150 -8.712 1.00 1.12 C ATOM 35 O4' DC A 2 -7.665 0.657 -9.496 1.00 1.02 O ATOM 36 C3' DC A 2 -7.731 -0.847 -7.637 1.00 1.10 C ATOM 37 O3' DC A 2 -7.677 -2.257 -7.902 1.00 1.14 O ATOM 38 C2' DC A 2 -6.353 -0.214 -7.760 1.00 0.97 C ATOM 39 C1' DC A 2 -6.327 0.374 -9.154 1.00 0.90 C ATOM 40 N1 DC A 2 -5.579 1.628 -9.216 1.00 0.81 N ATOM 41 C2 DC A 2 -4.565 1.790 -10.159 1.00 0.71 C ATOM 42 O2 DC A 2 -4.323 0.864 -10.944 1.00 0.70 O ATOM 43 N3 DC A 2 -3.875 2.953 -10.189 1.00 0.64 N ATOM 44 C4 DC A 2 -4.169 3.923 -9.319 1.00 0.67 C ATOM 45 N4 DC A 2 -3.463 5.053 -9.383 1.00 0.61 N ATOM 46 C5 DC A 2 -5.203 3.776 -8.347 1.00 0.77 C ATOM 47 C6 DC A 2 -5.877 2.626 -8.340 1.00 0.84 C ATOM 0 H5' DC A 2 -9.963 1.457 -8.971 1.00 1.22 H new ATOM 0 H5'' DC A 2 -10.564 0.141 -7.983 1.00 1.22 H new ATOM 0 H4' DC A 2 -9.072 -0.936 -9.276 1.00 1.12 H new ATOM 0 H3' DC A 2 -8.141 -0.732 -6.634 1.00 1.10 H new ATOM 0 H2' DC A 2 -6.201 0.555 -7.002 1.00 0.97 H new ATOM 0 H2'' DC A 2 -5.564 -0.954 -7.627 1.00 0.97 H new ATOM 0 H1' DC A 2 -5.846 -0.335 -9.827 1.00 0.90 H new ATOM 0 H41 DC A 2 -3.660 5.815 -8.734 1.00 0.61 H new ATOM 0 H42 DC A 2 -2.726 5.155 -10.081 1.00 0.61 H new ATOM 0 H5 DC A 2 -5.430 4.565 -7.645 1.00 0.77 H new ATOM 0 H6 DC A 2 -6.675 2.484 -7.626 1.00 0.84 H new ATOM 59 P DT A 3 -6.496 -3.150 -7.270 1.00 1.15 P ATOM 60 OP1 DT A 3 -6.877 -4.579 -7.396 1.00 1.28 O ATOM 61 OP2 DT A 3 -6.166 -2.595 -5.932 1.00 1.19 O ATOM 62 O5' DT A 3 -5.260 -2.875 -8.237 1.00 1.01 O ATOM 63 C5' DT A 3 -5.339 -3.184 -9.630 1.00 0.96 C ATOM 64 C4' DT A 3 -4.032 -3.765 -10.115 1.00 0.92 C ATOM 65 O4' DT A 3 -3.143 -2.687 -10.493 1.00 0.81 O ATOM 66 C3' DT A 3 -3.265 -4.597 -9.088 1.00 0.99 C ATOM 67 O3' DT A 3 -2.612 -5.691 -9.756 1.00 1.05 O ATOM 68 C2' DT A 3 -2.284 -3.599 -8.504 1.00 0.91 C ATOM 69 C1' DT A 3 -1.973 -2.712 -9.693 1.00 0.79 C ATOM 70 N1 DT A 3 -1.649 -1.330 -9.337 1.00 0.70 N ATOM 71 C2 DT A 3 -0.601 -0.704 -9.968 1.00 0.62 C ATOM 72 O2 DT A 3 0.090 -1.246 -10.812 1.00 0.63 O ATOM 73 N3 DT A 3 -0.390 0.588 -9.572 1.00 0.54 N ATOM 74 C4 DT A 3 -1.099 1.295 -8.627 1.00 0.55 C ATOM 75 O4 DT A 3 -0.787 2.455 -8.372 1.00 0.49 O ATOM 76 C5 DT A 3 -2.178 0.571 -7.995 1.00 0.66 C ATOM 77 C7 DT A 3 -2.896 1.215 -6.852 1.00 0.72 C ATOM 78 C6 DT A 3 -2.405 -0.693 -8.385 1.00 0.72 C ATOM 0 H5' DT A 3 -5.576 -2.283 -10.196 1.00 0.96 H new ATOM 0 H5'' DT A 3 -6.147 -3.893 -9.806 1.00 0.96 H new ATOM 0 H4' DT A 3 -4.314 -4.422 -10.938 1.00 0.92 H new ATOM 0 H3' DT A 3 -3.882 -5.053 -8.314 1.00 0.99 H new ATOM 0 H2' DT A 3 -2.721 -3.035 -7.680 1.00 0.91 H new ATOM 0 H2'' DT A 3 -1.390 -4.088 -8.117 1.00 0.91 H new ATOM 0 H1' DT A 3 -1.096 -3.120 -10.195 1.00 0.79 H new ATOM 0 H3 DT A 3 0.377 1.082 -10.027 1.00 0.54 H new ATOM 0 H71 DT A 3 -3.929 0.867 -6.829 1.00 0.72 H new ATOM 0 H72 DT A 3 -2.403 0.950 -5.917 1.00 0.72 H new ATOM 0 H73 DT A 3 -2.880 2.298 -6.976 1.00 0.72 H new ATOM 0 H6 DT A 3 -3.221 -1.234 -7.928 1.00 0.72 H new ATOM 91 P DC A 4 -1.241 -6.301 -9.170 1.00 1.15 P ATOM 92 OP1 DC A 4 -1.020 -7.599 -9.857 1.00 1.30 O ATOM 93 OP2 DC A 4 -1.288 -6.258 -7.686 1.00 1.25 O ATOM 94 O5' DC A 4 -0.121 -5.281 -9.669 1.00 1.03 O ATOM 95 C5' DC A 4 0.417 -5.361 -10.994 1.00 0.99 C ATOM 96 C4' DC A 4 1.927 -5.366 -10.947 1.00 0.96 C ATOM 97 O4' DC A 4 2.390 -4.043 -10.584 1.00 0.91 O ATOM 98 C3' DC A 4 2.537 -6.300 -9.906 1.00 1.03 C ATOM 99 O3' DC A 4 3.848 -6.710 -10.311 1.00 1.05 O ATOM 100 C2' DC A 4 2.590 -5.416 -8.674 1.00 1.00 C ATOM 101 C1' DC A 4 2.963 -4.062 -9.281 1.00 0.89 C ATOM 102 N1 DC A 4 2.476 -2.862 -8.569 1.00 0.81 N ATOM 103 C2 DC A 4 3.189 -1.664 -8.712 1.00 0.72 C ATOM 104 O2 DC A 4 4.228 -1.658 -9.389 1.00 0.73 O ATOM 105 N3 DC A 4 2.728 -0.543 -8.109 1.00 0.65 N ATOM 106 C4 DC A 4 1.610 -0.590 -7.383 1.00 0.68 C ATOM 107 N4 DC A 4 1.185 0.535 -6.812 1.00 0.63 N ATOM 108 C5 DC A 4 0.876 -1.796 -7.206 1.00 0.78 C ATOM 109 C6 DC A 4 1.343 -2.898 -7.803 1.00 0.84 C ATOM 0 H5' DC A 4 0.068 -4.516 -11.587 1.00 0.99 H new ATOM 0 H5'' DC A 4 0.059 -6.266 -11.485 1.00 0.99 H new ATOM 0 H4' DC A 4 2.235 -5.701 -11.938 1.00 0.96 H new ATOM 0 H3' DC A 4 1.978 -7.223 -9.751 1.00 1.03 H new ATOM 0 H2' DC A 4 1.633 -5.382 -8.153 1.00 1.00 H new ATOM 0 H2'' DC A 4 3.332 -5.761 -7.954 1.00 1.00 H new ATOM 0 H1' DC A 4 4.050 -3.996 -9.240 1.00 0.89 H new ATOM 0 H41 DC A 4 0.333 0.532 -6.251 1.00 0.63 H new ATOM 0 H42 DC A 4 1.711 1.400 -6.936 1.00 0.63 H new ATOM 0 H5 DC A 4 -0.025 -1.821 -6.611 1.00 0.78 H new ATOM 0 H6 DC A 4 0.816 -3.833 -7.678 1.00 0.84 H new ATOM 121 P DA A 5 4.712 -7.673 -9.357 1.00 1.16 P ATOM 122 OP1 DA A 5 5.902 -8.111 -10.129 1.00 1.36 O ATOM 123 OP2 DA A 5 3.804 -8.690 -8.767 1.00 1.37 O ATOM 124 O5' DA A 5 5.204 -6.708 -8.190 1.00 0.92 O ATOM 125 C5' DA A 5 6.173 -5.690 -8.443 1.00 0.79 C ATOM 126 C4' DA A 5 6.544 -4.988 -7.157 1.00 0.62 C ATOM 127 O4' DA A 5 5.772 -3.785 -7.017 1.00 0.58 O ATOM 128 C3' DA A 5 6.292 -5.767 -5.867 1.00 0.64 C ATOM 129 O3' DA A 5 7.495 -6.447 -5.478 1.00 0.74 O ATOM 130 C2' DA A 5 5.907 -4.683 -4.860 1.00 0.62 C ATOM 131 C1' DA A 5 5.907 -3.392 -5.673 1.00 0.57 C ATOM 132 N9 DA A 5 4.802 -2.501 -5.352 1.00 0.54 N ATOM 133 C8 DA A 5 3.511 -2.881 -5.163 1.00 0.54 C ATOM 134 N7 DA A 5 2.702 -1.889 -4.870 1.00 0.52 N ATOM 135 C5 DA A 5 3.533 -0.776 -4.875 1.00 0.49 C ATOM 136 C6 DA A 5 3.297 0.591 -4.639 1.00 0.47 C ATOM 137 N6 DA A 5 2.104 1.100 -4.328 1.00 0.46 N ATOM 138 N1 DA A 5 4.350 1.432 -4.728 1.00 0.46 N ATOM 139 C2 DA A 5 5.553 0.924 -5.031 1.00 0.48 C ATOM 140 N3 DA A 5 5.898 -0.335 -5.265 1.00 0.51 N ATOM 141 C4 DA A 5 4.830 -1.142 -5.173 1.00 0.51 C ATOM 0 H5' DA A 5 5.775 -4.969 -9.157 1.00 0.79 H new ATOM 0 H5'' DA A 5 7.062 -6.129 -8.895 1.00 0.79 H new ATOM 0 H4' DA A 5 7.618 -4.833 -7.260 1.00 0.62 H new ATOM 0 H3' DA A 5 5.521 -6.532 -5.955 1.00 0.64 H new ATOM 0 H2' DA A 5 4.928 -4.877 -4.422 1.00 0.62 H new ATOM 0 H2'' DA A 5 6.620 -4.634 -4.037 1.00 0.62 H new ATOM 0 H1' DA A 5 6.823 -2.842 -5.457 1.00 0.57 H new ATOM 0 H8 DA A 5 3.180 -3.906 -5.246 1.00 0.54 H new ATOM 0 H61 DA A 5 2.003 2.103 -4.169 1.00 0.46 H new ATOM 0 H62 DA A 5 1.293 0.487 -4.249 1.00 0.46 H new ATOM 0 H2 DA A 5 6.356 1.643 -5.094 1.00 0.48 H new ATOM 153 P DG A 6 7.776 -6.761 -3.926 1.00 0.85 P ATOM 154 OP1 DG A 6 8.934 -7.688 -3.842 1.00 1.03 O ATOM 155 OP2 DG A 6 6.484 -7.144 -3.301 1.00 0.85 O ATOM 156 O5' DG A 6 8.219 -5.351 -3.329 1.00 0.81 O ATOM 157 C5' DG A 6 9.206 -4.551 -3.986 1.00 0.83 C ATOM 158 C4' DG A 6 9.449 -3.278 -3.208 1.00 0.78 C ATOM 159 O4' DG A 6 8.255 -2.453 -3.236 1.00 0.73 O ATOM 160 C3' DG A 6 9.779 -3.495 -1.726 1.00 0.75 C ATOM 161 O3' DG A 6 11.022 -2.871 -1.392 1.00 0.76 O ATOM 162 C2' DG A 6 8.638 -2.820 -0.980 1.00 0.69 C ATOM 163 C1' DG A 6 8.132 -1.813 -1.984 1.00 0.68 C ATOM 164 N9 DG A 6 6.740 -1.416 -1.794 1.00 0.63 N ATOM 165 C8 DG A 6 5.643 -2.236 -1.709 1.00 0.62 C ATOM 166 N7 DG A 6 4.527 -1.586 -1.524 1.00 0.58 N ATOM 167 C5 DG A 6 4.912 -0.255 -1.488 1.00 0.56 C ATOM 168 C6 DG A 6 4.137 0.911 -1.296 1.00 0.53 C ATOM 169 O6 DG A 6 2.915 1.004 -1.139 1.00 0.50 O ATOM 170 N1 DG A 6 4.925 2.054 -1.297 1.00 0.53 N ATOM 171 C2 DG A 6 6.287 2.073 -1.470 1.00 0.56 C ATOM 172 N2 DG A 6 6.870 3.275 -1.443 1.00 0.57 N ATOM 173 N3 DG A 6 7.022 0.991 -1.655 1.00 0.60 N ATOM 174 C4 DG A 6 6.274 -0.132 -1.647 1.00 0.59 C ATOM 0 H5' DG A 6 8.876 -4.311 -4.997 1.00 0.83 H new ATOM 0 H5'' DG A 6 10.136 -5.112 -4.079 1.00 0.83 H new ATOM 0 H4' DG A 6 10.308 -2.813 -3.692 1.00 0.78 H new ATOM 0 H3' DG A 6 9.878 -4.551 -1.475 1.00 0.75 H new ATOM 0 H2' DG A 6 7.863 -3.532 -0.696 1.00 0.69 H new ATOM 0 H2'' DG A 6 8.982 -2.340 -0.064 1.00 0.69 H new ATOM 0 H1' DG A 6 8.708 -0.893 -1.885 1.00 0.68 H new ATOM 0 H8 DG A 6 5.698 -3.312 -1.787 1.00 0.62 H new ATOM 0 H1 DG A 6 4.456 2.949 -1.158 1.00 0.53 H new ATOM 0 H21 DG A 6 7.879 3.355 -1.566 1.00 0.57 H new ATOM 0 H22 DG A 6 6.306 4.112 -1.300 1.00 0.57 H new ATOM 186 P DG A 7 11.570 -2.942 0.118 1.00 0.72 P ATOM 187 OP1 DG A 7 12.749 -2.043 0.204 1.00 0.75 O ATOM 188 OP2 DG A 7 11.710 -4.371 0.493 1.00 0.81 O ATOM 189 O5' DG A 7 10.392 -2.314 0.989 1.00 0.57 O ATOM 190 C5' DG A 7 10.376 -0.923 1.315 1.00 0.55 C ATOM 191 C4' DG A 7 9.558 -0.684 2.563 1.00 0.43 C ATOM 192 O4' DG A 7 8.225 -0.269 2.180 1.00 0.42 O ATOM 193 C3' DG A 7 9.377 -1.906 3.474 1.00 0.38 C ATOM 194 O3' DG A 7 9.913 -1.631 4.773 1.00 0.44 O ATOM 195 C2' DG A 7 7.869 -2.109 3.556 1.00 0.37 C ATOM 196 C1' DG A 7 7.312 -0.759 3.135 1.00 0.37 C ATOM 197 N9 DG A 7 5.979 -0.749 2.532 1.00 0.36 N ATOM 198 C8 DG A 7 5.418 -1.657 1.661 1.00 0.37 C ATOM 199 N7 DG A 7 4.198 -1.349 1.312 1.00 0.38 N ATOM 200 C5 DG A 7 3.939 -0.165 1.990 1.00 0.37 C ATOM 201 C6 DG A 7 2.778 0.658 2.003 1.00 0.38 C ATOM 202 O6 DG A 7 1.707 0.492 1.406 1.00 0.40 O ATOM 203 N1 DG A 7 2.951 1.771 2.820 1.00 0.39 N ATOM 204 C2 DG A 7 4.089 2.053 3.537 1.00 0.39 C ATOM 205 N2 DG A 7 4.070 3.163 4.277 1.00 0.42 N ATOM 206 N3 DG A 7 5.170 1.299 3.533 1.00 0.38 N ATOM 207 C4 DG A 7 5.028 0.217 2.744 1.00 0.37 C ATOM 0 H5' DG A 7 9.959 -0.353 0.485 1.00 0.55 H new ATOM 0 H5'' DG A 7 11.395 -0.567 1.467 1.00 0.55 H new ATOM 0 H4' DG A 7 10.117 0.067 3.122 1.00 0.43 H new ATOM 0 H3' DG A 7 9.891 -2.789 3.094 1.00 0.38 H new ATOM 0 H2' DG A 7 7.534 -2.907 2.893 1.00 0.37 H new ATOM 0 H2'' DG A 7 7.553 -2.378 4.564 1.00 0.37 H new ATOM 0 H1' DG A 7 7.197 -0.164 4.041 1.00 0.37 H new ATOM 0 H8 DG A 7 5.935 -2.535 1.303 1.00 0.37 H new ATOM 0 H1 DG A 7 2.174 2.428 2.892 1.00 0.39 H new ATOM 0 H21 DG A 7 4.887 3.421 4.830 1.00 0.42 H new ATOM 0 H22 DG A 7 3.238 3.753 4.290 1.00 0.42 H new ATOM 219 P DC A 8 10.083 -2.825 5.838 1.00 0.50 P ATOM 220 OP1 DC A 8 11.539 -3.078 5.993 1.00 0.54 O ATOM 221 OP2 DC A 8 9.183 -3.942 5.451 1.00 0.48 O ATOM 222 O5' DC A 8 9.541 -2.202 7.201 1.00 0.60 O ATOM 223 C5' DC A 8 10.253 -1.157 7.866 1.00 0.65 C ATOM 224 C4' DC A 8 9.292 -0.237 8.583 1.00 0.64 C ATOM 225 O4' DC A 8 8.130 -0.026 7.745 1.00 0.62 O ATOM 226 C3' DC A 8 8.769 -0.759 9.925 1.00 0.65 C ATOM 227 O3' DC A 8 8.873 0.271 10.915 1.00 0.70 O ATOM 228 C2' DC A 8 7.312 -1.105 9.654 1.00 0.56 C ATOM 229 C1' DC A 8 6.946 -0.189 8.502 1.00 0.55 C ATOM 230 N1 DC A 8 5.913 -0.725 7.603 1.00 0.50 N ATOM 231 C2 DC A 8 4.722 -0.012 7.425 1.00 0.48 C ATOM 232 O2 DC A 8 4.552 1.045 8.050 1.00 0.49 O ATOM 233 N3 DC A 8 3.785 -0.495 6.577 1.00 0.45 N ATOM 234 C4 DC A 8 4.004 -1.637 5.922 1.00 0.44 C ATOM 235 N4 DC A 8 3.057 -2.071 5.093 1.00 0.42 N ATOM 236 C5 DC A 8 5.205 -2.385 6.090 1.00 0.46 C ATOM 237 C6 DC A 8 6.119 -1.900 6.938 1.00 0.49 C ATOM 0 H5' DC A 8 10.838 -0.589 7.142 1.00 0.65 H new ATOM 0 H5'' DC A 8 10.957 -1.585 8.579 1.00 0.65 H new ATOM 0 H4' DC A 8 9.864 0.669 8.783 1.00 0.64 H new ATOM 0 H3' DC A 8 9.329 -1.616 10.299 1.00 0.65 H new ATOM 0 H2' DC A 8 7.190 -2.155 9.388 1.00 0.56 H new ATOM 0 H2'' DC A 8 6.686 -0.923 10.527 1.00 0.56 H new ATOM 0 H1' DC A 8 6.540 0.732 8.920 1.00 0.55 H new ATOM 0 H41 DC A 8 3.191 -2.940 4.576 1.00 0.42 H new ATOM 0 H42 DC A 8 2.198 -1.534 4.975 1.00 0.42 H new ATOM 0 H5 DC A 8 5.371 -3.308 5.554 1.00 0.46 H new ATOM 0 H6 DC A 8 7.036 -2.447 7.100 1.00 0.49 H new ATOM 249 P DC A 9 8.279 0.030 12.391 1.00 0.70 P ATOM 250 OP1 DC A 9 9.041 0.877 13.342 1.00 0.78 O ATOM 251 OP2 DC A 9 8.198 -1.437 12.616 1.00 0.70 O ATOM 252 O5' DC A 9 6.792 0.596 12.298 1.00 0.61 O ATOM 253 C5' DC A 9 6.519 1.845 11.659 1.00 0.60 C ATOM 254 C4' DC A 9 5.095 2.268 11.928 1.00 0.53 C ATOM 255 O4' DC A 9 4.243 1.728 10.886 1.00 0.50 O ATOM 256 C3' DC A 9 4.522 1.771 13.257 1.00 0.45 C ATOM 257 O3' DC A 9 3.826 2.832 13.920 1.00 0.45 O ATOM 258 C2' DC A 9 3.575 0.652 12.854 1.00 0.40 C ATOM 259 C1' DC A 9 3.139 1.051 11.455 1.00 0.43 C ATOM 260 N1 DC A 9 2.787 -0.064 10.557 1.00 0.41 N ATOM 261 C2 DC A 9 1.550 -0.036 9.898 1.00 0.39 C ATOM 262 O2 DC A 9 0.774 0.908 10.112 1.00 0.39 O ATOM 263 N3 DC A 9 1.233 -1.036 9.046 1.00 0.39 N ATOM 264 C4 DC A 9 2.093 -2.037 8.843 1.00 0.42 C ATOM 265 N4 DC A 9 1.736 -3.002 7.998 1.00 0.44 N ATOM 266 C5 DC A 9 3.356 -2.093 9.501 1.00 0.45 C ATOM 267 C6 DC A 9 3.654 -1.101 10.349 1.00 0.44 C ATOM 0 H5' DC A 9 6.683 1.756 10.585 1.00 0.60 H new ATOM 0 H5'' DC A 9 7.208 2.607 12.024 1.00 0.60 H new ATOM 0 H4' DC A 9 5.116 3.357 11.959 1.00 0.53 H new ATOM 0 H3' DC A 9 5.286 1.428 13.954 1.00 0.45 H new ATOM 0 H2' DC A 9 4.073 -0.318 12.859 1.00 0.40 H new ATOM 0 H2'' DC A 9 2.727 0.578 13.534 1.00 0.40 H new ATOM 0 H1' DC A 9 2.230 1.644 11.554 1.00 0.43 H new ATOM 0 H41 DC A 9 2.368 -3.782 7.819 1.00 0.44 H new ATOM 0 H42 DC A 9 0.831 -2.961 7.530 1.00 0.44 H new ATOM 0 H5 DC A 9 4.046 -2.904 9.322 1.00 0.45 H new ATOM 0 H6 DC A 9 4.595 -1.120 10.878 1.00 0.44 H new ATOM 279 P DT A 10 3.191 2.586 15.377 1.00 0.41 P ATOM 280 OP1 DT A 10 3.349 3.844 16.149 1.00 0.47 O ATOM 281 OP2 DT A 10 3.731 1.315 15.926 1.00 0.37 O ATOM 282 O5' DT A 10 1.641 2.380 15.075 1.00 0.38 O ATOM 283 C5' DT A 10 1.040 2.957 13.915 1.00 0.42 C ATOM 284 C4' DT A 10 -0.322 2.351 13.673 1.00 0.39 C ATOM 285 O4' DT A 10 -0.204 1.279 12.714 1.00 0.36 O ATOM 286 C3' DT A 10 -0.985 1.731 14.907 1.00 0.37 C ATOM 287 O3' DT A 10 -2.074 2.559 15.338 1.00 0.43 O ATOM 288 C2' DT A 10 -1.491 0.375 14.423 1.00 0.32 C ATOM 289 C1' DT A 10 -1.298 0.420 12.923 1.00 0.32 C ATOM 290 N1 DT A 10 -0.990 -0.886 12.318 1.00 0.29 N ATOM 291 C2 DT A 10 -1.854 -1.384 11.372 1.00 0.29 C ATOM 292 O2 DT A 10 -2.841 -0.780 10.991 1.00 0.31 O ATOM 293 N3 DT A 10 -1.520 -2.618 10.887 1.00 0.29 N ATOM 294 C4 DT A 10 -0.438 -3.390 11.248 1.00 0.31 C ATOM 295 O4 DT A 10 -0.273 -4.489 10.726 1.00 0.35 O ATOM 296 C5 DT A 10 0.433 -2.807 12.246 1.00 0.30 C ATOM 297 C7 DT A 10 1.553 -3.637 12.793 1.00 0.34 C ATOM 298 C6 DT A 10 0.128 -1.586 12.716 1.00 0.28 C ATOM 0 H5' DT A 10 1.678 2.793 13.047 1.00 0.42 H new ATOM 0 H5'' DT A 10 0.948 4.036 14.043 1.00 0.42 H new ATOM 0 H4' DT A 10 -0.938 3.185 13.336 1.00 0.39 H new ATOM 0 H3' DT A 10 -0.307 1.635 15.755 1.00 0.37 H new ATOM 0 H2' DT A 10 -0.929 -0.443 14.872 1.00 0.32 H new ATOM 0 H2'' DT A 10 -2.538 0.224 14.685 1.00 0.32 H new ATOM 0 H1' DT A 10 -2.226 0.751 12.457 1.00 0.32 H new ATOM 0 H3 DT A 10 -2.141 -3.010 10.179 1.00 0.29 H new ATOM 0 H71 DT A 10 1.268 -4.689 12.776 1.00 0.34 H new ATOM 0 H72 DT A 10 2.445 -3.492 12.183 1.00 0.34 H new ATOM 0 H73 DT A 10 1.762 -3.335 13.819 1.00 0.34 H new ATOM 0 H6 DT A 10 0.790 -1.132 13.439 1.00 0.28 H new ATOM 311 P DC A 11 -3.105 2.017 16.449 1.00 0.46 P ATOM 312 OP1 DC A 11 -3.811 3.197 17.008 1.00 0.54 O ATOM 313 OP2 DC A 11 -2.377 1.098 17.361 1.00 0.43 O ATOM 314 O5' DC A 11 -4.157 1.161 15.611 1.00 0.47 O ATOM 315 C5' DC A 11 -4.760 1.689 14.427 1.00 0.55 C ATOM 316 C4' DC A 11 -5.942 0.841 14.017 1.00 0.62 C ATOM 317 O4' DC A 11 -5.457 -0.305 13.277 1.00 0.53 O ATOM 318 C3' DC A 11 -6.773 0.285 15.175 1.00 0.70 C ATOM 319 O3' DC A 11 -8.167 0.344 14.852 1.00 0.84 O ATOM 320 C2' DC A 11 -6.311 -1.160 15.295 1.00 0.64 C ATOM 321 C1' DC A 11 -5.893 -1.510 13.879 1.00 0.55 C ATOM 322 N1 DC A 11 -4.789 -2.474 13.799 1.00 0.45 N ATOM 323 C2 DC A 11 -4.857 -3.523 12.880 1.00 0.43 C ATOM 324 O2 DC A 11 -5.858 -3.623 12.156 1.00 0.47 O ATOM 325 N3 DC A 11 -3.831 -4.402 12.804 1.00 0.40 N ATOM 326 C4 DC A 11 -2.770 -4.256 13.599 1.00 0.39 C ATOM 327 N4 DC A 11 -1.780 -5.144 13.483 1.00 0.42 N ATOM 328 C5 DC A 11 -2.678 -3.195 14.548 1.00 0.38 C ATOM 329 C6 DC A 11 -3.704 -2.339 14.613 1.00 0.41 C ATOM 0 H5' DC A 11 -4.028 1.719 13.620 1.00 0.55 H new ATOM 0 H5'' DC A 11 -5.083 2.715 14.602 1.00 0.55 H new ATOM 0 H4' DC A 11 -6.584 1.505 13.439 1.00 0.62 H new ATOM 0 H3' DC A 11 -6.643 0.844 16.102 1.00 0.70 H new ATOM 0 H2' DC A 11 -5.482 -1.261 15.996 1.00 0.64 H new ATOM 0 H2'' DC A 11 -7.110 -1.810 15.651 1.00 0.64 H new ATOM 0 H1' DC A 11 -6.747 -1.973 13.385 1.00 0.55 H new ATOM 0 H41 DC A 11 -0.952 -5.065 14.074 1.00 0.42 H new ATOM 0 H42 DC A 11 -1.851 -5.901 12.804 1.00 0.42 H new ATOM 0 H5 DC A 11 -1.815 -3.087 15.188 1.00 0.38 H new ATOM 0 H6 DC A 11 -3.672 -1.526 15.323 1.00 0.41 H new ATOM 341 P DC A 12 -9.258 -0.186 15.908 1.00 1.11 P ATOM 342 OP1 DC A 12 -10.468 0.666 15.789 1.00 1.28 O ATOM 343 OP2 DC A 12 -8.586 -0.324 17.225 1.00 1.20 O ATOM 344 O5' DC A 12 -9.623 -1.648 15.387 1.00 1.20 O ATOM 345 C5' DC A 12 -10.329 -1.837 14.160 1.00 1.25 C ATOM 346 C4' DC A 12 -10.683 -3.296 13.978 1.00 1.31 C ATOM 347 O4' DC A 12 -9.568 -3.968 13.354 1.00 1.20 O ATOM 348 C3' DC A 12 -10.956 -4.084 15.257 1.00 1.42 C ATOM 349 O3' DC A 12 -12.344 -4.028 15.598 1.00 1.58 O ATOM 350 C2' DC A 12 -10.565 -5.502 14.874 1.00 1.43 C ATOM 351 C1' DC A 12 -9.491 -5.315 13.802 1.00 1.27 C ATOM 352 N1 DC A 12 -8.116 -5.555 14.266 1.00 1.15 N ATOM 353 C2 DC A 12 -7.445 -6.701 13.832 1.00 1.12 C ATOM 354 O2 DC A 12 -8.030 -7.489 13.076 1.00 1.18 O ATOM 355 N3 DC A 12 -6.177 -6.922 14.249 1.00 1.05 N ATOM 356 C4 DC A 12 -5.583 -6.051 15.067 1.00 1.00 C ATOM 357 N4 DC A 12 -4.332 -6.306 15.449 1.00 0.96 N ATOM 358 C5 DC A 12 -6.246 -4.877 15.528 1.00 1.03 C ATOM 359 C6 DC A 12 -7.500 -4.672 15.105 1.00 1.10 C ATOM 0 H5' DC A 12 -9.717 -1.497 13.324 1.00 1.25 H new ATOM 0 H5'' DC A 12 -11.236 -1.233 14.158 1.00 1.25 H new ATOM 0 H4' DC A 12 -11.603 -3.277 13.394 1.00 1.31 H new ATOM 0 H3' DC A 12 -10.414 -3.701 16.121 1.00 1.42 H new ATOM 0 H2' DC A 12 -10.181 -6.055 15.731 1.00 1.43 H new ATOM 0 H2'' DC A 12 -11.418 -6.061 14.490 1.00 1.43 H new ATOM 0 HO3' DC A 12 -12.500 -4.540 16.419 1.00 1.58 H new ATOM 0 H1' DC A 12 -9.689 -6.051 13.022 1.00 1.27 H new ATOM 0 H41 DC A 12 -3.848 -5.661 16.074 1.00 0.96 H new ATOM 0 H42 DC A 12 -3.858 -7.146 15.117 1.00 0.96 H new ATOM 0 H5 DC A 12 -5.757 -4.180 16.192 1.00 1.03 H new ATOM 0 H6 DC A 12 -8.033 -3.792 15.434 1.00 1.10 H new TER 372 DC A 12 ATOM 373 O5' DG B 13 -0.539 -15.274 9.982 1.00 1.84 O ATOM 374 C5' DG B 13 -1.554 -16.214 10.350 1.00 1.87 C ATOM 375 C4' DG B 13 -2.932 -15.617 10.181 1.00 1.58 C ATOM 376 O4' DG B 13 -3.205 -14.796 11.339 1.00 1.49 O ATOM 377 C3' DG B 13 -3.106 -14.716 8.952 1.00 1.32 C ATOM 378 O3' DG B 13 -4.093 -15.265 8.072 1.00 1.23 O ATOM 379 C2' DG B 13 -3.587 -13.381 9.502 1.00 1.18 C ATOM 380 C1' DG B 13 -3.905 -13.629 10.963 1.00 1.27 C ATOM 381 N9 DG B 13 -3.483 -12.549 11.848 1.00 1.18 N ATOM 382 C8 DG B 13 -2.271 -12.422 12.481 1.00 1.18 C ATOM 383 N7 DG B 13 -2.181 -11.343 13.209 1.00 1.11 N ATOM 384 C5 DG B 13 -3.411 -10.719 13.046 1.00 1.07 C ATOM 385 C6 DG B 13 -3.907 -9.508 13.593 1.00 1.02 C ATOM 386 O6 DG B 13 -3.339 -8.717 14.355 1.00 0.98 O ATOM 387 N1 DG B 13 -5.206 -9.249 13.168 1.00 1.04 N ATOM 388 C2 DG B 13 -5.933 -10.051 12.324 1.00 1.10 C ATOM 389 N2 DG B 13 -7.166 -9.633 12.025 1.00 1.15 N ATOM 390 N3 DG B 13 -5.484 -11.181 11.809 1.00 1.14 N ATOM 391 C4 DG B 13 -4.225 -11.452 12.210 1.00 1.12 C ATOM 0 H5' DG B 13 -1.412 -16.521 11.386 1.00 1.87 H new ATOM 0 H5'' DG B 13 -1.464 -17.110 9.736 1.00 1.87 H new ATOM 0 H4' DG B 13 -3.609 -16.462 10.057 1.00 1.58 H new ATOM 0 H3' DG B 13 -2.181 -14.619 8.384 1.00 1.32 H new ATOM 0 H2' DG B 13 -2.820 -12.614 9.393 1.00 1.18 H new ATOM 0 H2'' DG B 13 -4.468 -13.030 8.964 1.00 1.18 H new ATOM 0 HO5' DG B 13 0.344 -15.682 10.101 1.00 1.84 H new ATOM 0 H1' DG B 13 -4.987 -13.713 11.062 1.00 1.27 H new ATOM 0 H8 DG B 13 -1.472 -13.143 12.386 1.00 1.18 H new ATOM 0 H1 DG B 13 -5.652 -8.398 13.510 1.00 1.04 H new ATOM 0 H21 DG B 13 -7.755 -10.186 11.403 1.00 1.15 H new ATOM 0 H22 DG B 13 -7.518 -8.761 12.419 1.00 1.15 H new ATOM 404 P DG B 14 -4.246 -14.683 6.580 1.00 1.11 P ATOM 405 OP1 DG B 14 -5.185 -15.559 5.835 1.00 1.21 O ATOM 406 OP2 DG B 14 -2.879 -14.452 6.046 1.00 1.27 O ATOM 407 O5' DG B 14 -4.940 -13.263 6.783 1.00 0.86 O ATOM 408 C5' DG B 14 -6.317 -13.161 7.148 1.00 0.85 C ATOM 409 C4' DG B 14 -6.801 -11.740 6.970 1.00 0.76 C ATOM 410 O4' DG B 14 -6.252 -10.924 8.037 1.00 0.73 O ATOM 411 C3' DG B 14 -6.368 -11.048 5.674 1.00 0.71 C ATOM 412 O3' DG B 14 -7.385 -10.125 5.258 1.00 0.65 O ATOM 413 C2' DG B 14 -5.106 -10.328 6.098 1.00 0.68 C ATOM 414 C1' DG B 14 -5.536 -9.843 7.463 1.00 0.65 C ATOM 415 N9 DG B 14 -4.439 -9.492 8.356 1.00 0.65 N ATOM 416 C8 DG B 14 -3.244 -10.147 8.498 1.00 0.72 C ATOM 417 N7 DG B 14 -2.461 -9.601 9.389 1.00 0.70 N ATOM 418 C5 DG B 14 -3.184 -8.510 9.852 1.00 0.60 C ATOM 419 C6 DG B 14 -2.854 -7.527 10.822 1.00 0.54 C ATOM 420 O6 DG B 14 -1.823 -7.422 11.497 1.00 0.56 O ATOM 421 N1 DG B 14 -3.877 -6.597 10.975 1.00 0.47 N ATOM 422 C2 DG B 14 -5.067 -6.614 10.290 1.00 0.47 C ATOM 423 N2 DG B 14 -5.936 -5.641 10.576 1.00 0.46 N ATOM 424 N3 DG B 14 -5.385 -7.520 9.388 1.00 0.52 N ATOM 425 C4 DG B 14 -4.406 -8.430 9.220 1.00 0.57 C ATOM 0 H5' DG B 14 -6.450 -13.471 8.185 1.00 0.85 H new ATOM 0 H5'' DG B 14 -6.914 -13.836 6.535 1.00 0.85 H new ATOM 0 H4' DG B 14 -7.888 -11.822 6.962 1.00 0.76 H new ATOM 0 H3' DG B 14 -6.209 -11.720 4.831 1.00 0.71 H new ATOM 0 H2' DG B 14 -4.242 -10.991 6.143 1.00 0.68 H new ATOM 0 H2'' DG B 14 -4.846 -9.510 5.426 1.00 0.68 H new ATOM 0 H1' DG B 14 -6.114 -8.928 7.339 1.00 0.65 H new ATOM 0 H8 DG B 14 -2.977 -11.026 7.930 1.00 0.72 H new ATOM 0 H1 DG B 14 -3.732 -5.844 11.648 1.00 0.47 H new ATOM 0 H21 DG B 14 -6.836 -5.604 10.098 1.00 0.46 H new ATOM 0 H22 DG B 14 -5.700 -4.935 11.273 1.00 0.46 H new ATOM 437 P DA B 15 -7.248 -9.346 3.856 1.00 0.64 P ATOM 438 OP1 DA B 15 -8.294 -9.889 2.954 1.00 0.71 O ATOM 439 OP2 DA B 15 -5.827 -9.363 3.423 1.00 0.65 O ATOM 440 O5' DA B 15 -7.640 -7.843 4.216 1.00 0.57 O ATOM 441 C5' DA B 15 -8.628 -7.557 5.212 1.00 0.56 C ATOM 442 C4' DA B 15 -8.933 -6.074 5.245 1.00 0.52 C ATOM 443 O4' DA B 15 -8.143 -5.455 6.287 1.00 0.49 O ATOM 444 C3' DA B 15 -8.595 -5.296 3.976 1.00 0.52 C ATOM 445 O3' DA B 15 -9.445 -4.145 3.865 1.00 0.53 O ATOM 446 C2' DA B 15 -7.152 -4.884 4.215 1.00 0.49 C ATOM 447 C1' DA B 15 -7.106 -4.658 5.721 1.00 0.46 C ATOM 448 N9 DA B 15 -5.848 -5.066 6.344 1.00 0.44 N ATOM 449 C8 DA B 15 -5.201 -6.254 6.136 1.00 0.47 C ATOM 450 N7 DA B 15 -4.113 -6.399 6.853 1.00 0.46 N ATOM 451 C5 DA B 15 -4.028 -5.213 7.571 1.00 0.40 C ATOM 452 C6 DA B 15 -3.097 -4.744 8.517 1.00 0.37 C ATOM 453 N6 DA B 15 -2.050 -5.451 8.944 1.00 0.40 N ATOM 454 N1 DA B 15 -3.291 -3.511 9.031 1.00 0.33 N ATOM 455 C2 DA B 15 -4.355 -2.808 8.625 1.00 0.34 C ATOM 456 N3 DA B 15 -5.311 -3.148 7.759 1.00 0.37 N ATOM 457 C4 DA B 15 -5.085 -4.376 7.258 1.00 0.39 C ATOM 0 H5' DA B 15 -8.273 -7.883 6.189 1.00 0.56 H new ATOM 0 H5'' DA B 15 -9.539 -8.117 5.001 1.00 0.56 H new ATOM 0 H4' DA B 15 -10.012 -6.028 5.393 1.00 0.52 H new ATOM 0 H3' DA B 15 -8.732 -5.865 3.056 1.00 0.52 H new ATOM 0 H2' DA B 15 -6.453 -5.660 3.902 1.00 0.49 H new ATOM 0 H2'' DA B 15 -6.893 -3.980 3.663 1.00 0.49 H new ATOM 0 H1' DA B 15 -7.217 -3.589 5.900 1.00 0.46 H new ATOM 0 H8 DA B 15 -5.555 -7.004 5.444 1.00 0.47 H new ATOM 0 H61 DA B 15 -1.412 -5.052 9.632 1.00 0.40 H new ATOM 0 H62 DA B 15 -1.887 -6.391 8.582 1.00 0.40 H new ATOM 0 H2 DA B 15 -4.454 -1.825 9.061 1.00 0.34 H new ATOM 469 P DG B 16 -9.093 -2.981 2.808 1.00 0.56 P ATOM 470 OP1 DG B 16 -10.369 -2.383 2.340 1.00 0.63 O ATOM 471 OP2 DG B 16 -8.138 -3.535 1.813 1.00 0.57 O ATOM 472 O5' DG B 16 -8.325 -1.890 3.679 1.00 0.51 O ATOM 473 C5' DG B 16 -8.998 -1.178 4.719 1.00 0.53 C ATOM 474 C4' DG B 16 -8.119 -0.074 5.258 1.00 0.49 C ATOM 475 O4' DG B 16 -6.932 -0.662 5.844 1.00 0.46 O ATOM 476 C3' DG B 16 -7.626 0.941 4.219 1.00 0.48 C ATOM 477 O3' DG B 16 -7.841 2.271 4.716 1.00 0.50 O ATOM 478 C2' DG B 16 -6.139 0.632 4.085 1.00 0.45 C ATOM 479 C1' DG B 16 -5.805 0.097 5.460 1.00 0.43 C ATOM 480 N9 DG B 16 -4.632 -0.771 5.525 1.00 0.42 N ATOM 481 C8 DG B 16 -4.377 -1.884 4.763 1.00 0.43 C ATOM 482 N7 DG B 16 -3.255 -2.473 5.071 1.00 0.42 N ATOM 483 C5 DG B 16 -2.729 -1.692 6.090 1.00 0.40 C ATOM 484 C6 DG B 16 -1.522 -1.827 6.814 1.00 0.39 C ATOM 485 O6 DG B 16 -0.652 -2.696 6.700 1.00 0.41 O ATOM 486 N1 DG B 16 -1.373 -0.814 7.753 1.00 0.38 N ATOM 487 C2 DG B 16 -2.270 0.203 7.965 1.00 0.38 C ATOM 488 N2 DG B 16 -1.946 1.088 8.913 1.00 0.39 N ATOM 489 N3 DG B 16 -3.400 0.342 7.295 1.00 0.39 N ATOM 490 C4 DG B 16 -3.564 -0.634 6.378 1.00 0.40 C ATOM 0 H5' DG B 16 -9.265 -1.864 5.523 1.00 0.53 H new ATOM 0 H5'' DG B 16 -9.928 -0.757 4.337 1.00 0.53 H new ATOM 0 H4' DG B 16 -8.749 0.462 5.968 1.00 0.49 H new ATOM 0 H3' DG B 16 -8.142 0.878 3.261 1.00 0.48 H new ATOM 0 H2' DG B 16 -5.943 -0.102 3.303 1.00 0.45 H new ATOM 0 H2'' DG B 16 -5.558 1.521 3.841 1.00 0.45 H new ATOM 0 H1' DG B 16 -5.570 0.944 6.105 1.00 0.43 H new ATOM 0 H8 DG B 16 -5.039 -2.237 3.986 1.00 0.43 H new ATOM 0 H1 DG B 16 -0.532 -0.827 8.330 1.00 0.38 H new ATOM 0 H21 DG B 16 -2.571 1.867 9.118 1.00 0.39 H new ATOM 0 H22 DG B 16 -1.074 0.984 9.431 1.00 0.39 H new ATOM 502 P DG B 17 -7.117 3.524 4.011 1.00 0.51 P ATOM 503 OP1 DG B 17 -7.976 4.719 4.207 1.00 0.58 O ATOM 504 OP2 DG B 17 -6.724 3.122 2.635 1.00 0.49 O ATOM 505 O5' DG B 17 -5.789 3.723 4.869 1.00 0.53 O ATOM 506 C5' DG B 17 -5.834 3.738 6.299 1.00 0.55 C ATOM 507 C4' DG B 17 -4.785 4.677 6.848 1.00 0.53 C ATOM 508 O4' DG B 17 -3.598 3.911 7.164 1.00 0.50 O ATOM 509 C3' DG B 17 -4.344 5.783 5.890 1.00 0.52 C ATOM 510 O3' DG B 17 -4.117 7.004 6.603 1.00 0.55 O ATOM 511 C2' DG B 17 -3.042 5.265 5.301 1.00 0.47 C ATOM 512 C1' DG B 17 -2.505 4.289 6.342 1.00 0.47 C ATOM 513 N9 DG B 17 -1.924 3.068 5.788 1.00 0.44 N ATOM 514 C8 DG B 17 -2.468 2.255 4.822 1.00 0.43 C ATOM 515 N7 DG B 17 -1.713 1.234 4.523 1.00 0.41 N ATOM 516 C5 DG B 17 -0.604 1.374 5.345 1.00 0.41 C ATOM 517 C6 DG B 17 0.555 0.567 5.465 1.00 0.41 C ATOM 518 O6 DG B 17 0.843 -0.462 4.844 1.00 0.40 O ATOM 519 N1 DG B 17 1.432 1.066 6.422 1.00 0.43 N ATOM 520 C2 DG B 17 1.220 2.199 7.170 1.00 0.44 C ATOM 521 N2 DG B 17 2.168 2.506 8.068 1.00 0.47 N ATOM 522 N3 DG B 17 0.151 2.972 7.055 1.00 0.45 N ATOM 523 C4 DG B 17 -0.716 2.501 6.133 1.00 0.43 C ATOM 0 H5' DG B 17 -5.669 2.732 6.685 1.00 0.55 H new ATOM 0 H5'' DG B 17 -6.823 4.050 6.635 1.00 0.55 H new ATOM 0 H4' DG B 17 -5.248 5.154 7.711 1.00 0.53 H new ATOM 0 H3' DG B 17 -5.094 6.002 5.129 1.00 0.52 H new ATOM 0 H2' DG B 17 -3.210 4.770 4.344 1.00 0.47 H new ATOM 0 H2'' DG B 17 -2.338 6.078 5.121 1.00 0.47 H new ATOM 0 H1' DG B 17 -1.703 4.800 6.876 1.00 0.47 H new ATOM 0 H8 DG B 17 -3.425 2.443 4.357 1.00 0.43 H new ATOM 0 H1 DG B 17 2.299 0.552 6.581 1.00 0.43 H new ATOM 0 H21 DG B 17 2.067 3.335 8.653 1.00 0.47 H new ATOM 0 H22 DG B 17 2.990 1.910 8.166 1.00 0.47 H new ATOM 535 P DC B 18 -4.165 8.407 5.817 1.00 0.52 P ATOM 536 OP1 DC B 18 -4.580 9.442 6.798 1.00 0.57 O ATOM 537 OP2 DC B 18 -4.945 8.231 4.564 1.00 0.52 O ATOM 538 O5' DC B 18 -2.646 8.683 5.425 1.00 0.48 O ATOM 539 C5' DC B 18 -1.627 8.709 6.424 1.00 0.50 C ATOM 540 C4' DC B 18 -0.286 8.370 5.817 1.00 0.45 C ATOM 541 O4' DC B 18 -0.321 6.999 5.375 1.00 0.43 O ATOM 542 C3' DC B 18 0.107 9.197 4.588 1.00 0.44 C ATOM 543 O3' DC B 18 1.172 10.096 4.920 1.00 0.44 O ATOM 544 C2' DC B 18 0.585 8.170 3.569 1.00 0.49 C ATOM 545 C1' DC B 18 0.601 6.852 4.324 1.00 0.43 C ATOM 546 N1 DC B 18 0.202 5.679 3.532 1.00 0.42 N ATOM 547 C2 DC B 18 1.104 4.628 3.397 1.00 0.40 C ATOM 548 O2 DC B 18 2.208 4.721 3.942 1.00 0.40 O ATOM 549 N3 DC B 18 0.755 3.540 2.676 1.00 0.39 N ATOM 550 C4 DC B 18 -0.447 3.481 2.102 1.00 0.41 C ATOM 551 N4 DC B 18 -0.750 2.384 1.404 1.00 0.41 N ATOM 552 C5 DC B 18 -1.392 4.544 2.219 1.00 0.43 C ATOM 553 C6 DC B 18 -1.027 5.614 2.939 1.00 0.44 C ATOM 0 H5' DC B 18 -1.866 7.998 7.215 1.00 0.50 H new ATOM 0 H5'' DC B 18 -1.586 9.696 6.885 1.00 0.50 H new ATOM 0 H4' DC B 18 0.442 8.578 6.601 1.00 0.45 H new ATOM 0 H3' DC B 18 -0.718 9.801 4.212 1.00 0.44 H new ATOM 0 H2' DC B 18 -0.084 8.125 2.709 1.00 0.49 H new ATOM 0 H2'' DC B 18 1.576 8.421 3.190 1.00 0.49 H new ATOM 0 H1' DC B 18 1.627 6.661 4.639 1.00 0.43 H new ATOM 0 H41 DC B 18 -1.660 2.303 0.951 1.00 0.41 H new ATOM 0 H42 DC B 18 -0.071 1.627 1.324 1.00 0.41 H new ATOM 0 H5 DC B 18 -2.362 4.489 1.747 1.00 0.43 H new ATOM 0 H6 DC B 18 -1.716 6.438 3.052 1.00 0.44 H new ATOM 565 P DC B 19 1.827 11.018 3.776 1.00 0.51 P ATOM 566 OP1 DC B 19 2.686 12.023 4.453 1.00 0.65 O ATOM 567 OP2 DC B 19 0.745 11.472 2.865 1.00 0.59 O ATOM 568 O5' DC B 19 2.768 10.019 2.964 1.00 0.45 O ATOM 569 C5' DC B 19 3.996 9.544 3.522 1.00 0.64 C ATOM 570 C4' DC B 19 4.900 9.015 2.430 1.00 0.62 C ATOM 571 O4' DC B 19 4.504 7.666 2.086 1.00 0.59 O ATOM 572 C3' DC B 19 4.883 9.815 1.125 1.00 0.60 C ATOM 573 O3' DC B 19 6.215 10.260 0.833 1.00 0.63 O ATOM 574 C2' DC B 19 4.387 8.830 0.073 1.00 0.54 C ATOM 575 C1' DC B 19 4.646 7.474 0.693 1.00 0.55 C ATOM 576 N1 DC B 19 3.722 6.394 0.300 1.00 0.52 N ATOM 577 C2 DC B 19 4.258 5.204 -0.198 1.00 0.52 C ATOM 578 O2 DC B 19 5.486 5.110 -0.340 1.00 0.55 O ATOM 579 N3 DC B 19 3.428 4.186 -0.514 1.00 0.51 N ATOM 580 C4 DC B 19 2.111 4.329 -0.363 1.00 0.49 C ATOM 581 N4 DC B 19 1.332 3.300 -0.697 1.00 0.49 N ATOM 582 C5 DC B 19 1.534 5.535 0.133 1.00 0.48 C ATOM 583 C6 DC B 19 2.369 6.535 0.443 1.00 0.50 C ATOM 0 H5' DC B 19 3.793 8.757 4.248 1.00 0.64 H new ATOM 0 H5'' DC B 19 4.496 10.351 4.058 1.00 0.64 H new ATOM 0 H4' DC B 19 5.904 9.083 2.849 1.00 0.62 H new ATOM 0 H3' DC B 19 4.249 10.701 1.168 1.00 0.60 H new ATOM 0 H2' DC B 19 3.328 8.975 -0.143 1.00 0.54 H new ATOM 0 H2'' DC B 19 4.923 8.948 -0.869 1.00 0.54 H new ATOM 0 H1' DC B 19 5.629 7.146 0.354 1.00 0.55 H new ATOM 0 H41 DC B 19 0.320 3.373 -0.595 1.00 0.49 H new ATOM 0 H42 DC B 19 1.748 2.440 -1.054 1.00 0.49 H new ATOM 0 H5 DC B 19 0.466 5.638 0.254 1.00 0.48 H new ATOM 0 H6 DC B 19 1.968 7.467 0.812 1.00 0.50 H new ATOM 595 P DT B 20 6.539 10.955 -0.579 1.00 0.64 P ATOM 596 OP1 DT B 20 7.881 11.581 -0.468 1.00 0.71 O ATOM 597 OP2 DT B 20 5.373 11.786 -0.975 1.00 0.62 O ATOM 598 O5' DT B 20 6.643 9.728 -1.589 1.00 0.63 O ATOM 599 C5' DT B 20 7.680 8.749 -1.464 1.00 0.63 C ATOM 600 C4' DT B 20 7.900 8.059 -2.791 1.00 0.58 C ATOM 601 O4' DT B 20 7.007 6.917 -2.892 1.00 0.55 O ATOM 602 C3' DT B 20 7.612 8.912 -4.034 1.00 0.54 C ATOM 603 O3' DT B 20 8.580 8.639 -5.055 1.00 0.53 O ATOM 604 C2' DT B 20 6.238 8.434 -4.459 1.00 0.49 C ATOM 605 C1' DT B 20 6.387 6.957 -4.163 1.00 0.49 C ATOM 606 N1 DT B 20 5.144 6.152 -4.101 1.00 0.46 N ATOM 607 C2 DT B 20 5.265 4.799 -4.329 1.00 0.46 C ATOM 608 O2 DT B 20 6.331 4.259 -4.566 1.00 0.47 O ATOM 609 N3 DT B 20 4.089 4.097 -4.269 1.00 0.45 N ATOM 610 C4 DT B 20 2.834 4.598 -4.005 1.00 0.44 C ATOM 611 O4 DT B 20 1.871 3.837 -3.966 1.00 0.45 O ATOM 612 C5 DT B 20 2.775 6.026 -3.776 1.00 0.45 C ATOM 613 C7 DT B 20 1.443 6.669 -3.554 1.00 0.46 C ATOM 614 C6 DT B 20 3.918 6.727 -3.830 1.00 0.46 C ATOM 0 H5' DT B 20 7.410 8.016 -0.704 1.00 0.63 H new ATOM 0 H5'' DT B 20 8.604 9.225 -1.134 1.00 0.63 H new ATOM 0 H4' DT B 20 8.960 7.806 -2.789 1.00 0.58 H new ATOM 0 H3' DT B 20 7.656 9.985 -3.849 1.00 0.54 H new ATOM 0 H2' DT B 20 5.436 8.898 -3.884 1.00 0.49 H new ATOM 0 H2'' DT B 20 6.032 8.632 -5.511 1.00 0.49 H new ATOM 0 H1' DT B 20 6.940 6.509 -4.989 1.00 0.49 H new ATOM 0 H3 DT B 20 4.151 3.093 -4.439 1.00 0.45 H new ATOM 0 H71 DT B 20 1.562 7.538 -2.907 1.00 0.46 H new ATOM 0 H72 DT B 20 1.027 6.984 -4.511 1.00 0.46 H new ATOM 0 H73 DT B 20 0.768 5.955 -3.082 1.00 0.46 H new ATOM 0 H6 DT B 20 3.877 7.792 -3.653 1.00 0.46 H new ATOM 627 P DG B 21 8.578 9.502 -6.413 1.00 0.53 P ATOM 628 OP1 DG B 21 9.911 10.149 -6.521 1.00 0.64 O ATOM 629 OP2 DG B 21 7.352 10.341 -6.448 1.00 0.54 O ATOM 630 O5' DG B 21 8.461 8.408 -7.567 1.00 0.49 O ATOM 631 C5' DG B 21 9.619 7.727 -8.056 1.00 0.57 C ATOM 632 C4' DG B 21 9.234 6.749 -9.144 1.00 0.60 C ATOM 633 O4' DG B 21 8.201 5.866 -8.641 1.00 0.54 O ATOM 634 C3' DG B 21 8.674 7.383 -10.423 1.00 0.63 C ATOM 635 O3' DG B 21 9.388 6.886 -11.560 1.00 0.74 O ATOM 636 C2' DG B 21 7.217 6.940 -10.459 1.00 0.56 C ATOM 637 C1' DG B 21 7.220 5.667 -9.638 1.00 0.53 C ATOM 638 N9 DG B 21 5.964 5.336 -8.968 1.00 0.47 N ATOM 639 C8 DG B 21 5.095 6.198 -8.342 1.00 0.42 C ATOM 640 N7 DG B 21 4.080 5.595 -7.788 1.00 0.42 N ATOM 641 C5 DG B 21 4.275 4.254 -8.085 1.00 0.44 C ATOM 642 C6 DG B 21 3.490 3.120 -7.761 1.00 0.47 C ATOM 643 O6 DG B 21 2.435 3.071 -7.119 1.00 0.49 O ATOM 644 N1 DG B 21 4.046 1.951 -8.267 1.00 0.51 N ATOM 645 C2 DG B 21 5.206 1.882 -8.998 1.00 0.54 C ATOM 646 N2 DG B 21 5.578 0.662 -9.403 1.00 0.60 N ATOM 647 N3 DG B 21 5.948 2.932 -9.310 1.00 0.53 N ATOM 648 C4 DG B 21 5.427 4.078 -8.824 1.00 0.47 C ATOM 0 H5' DG B 21 10.110 7.198 -7.239 1.00 0.57 H new ATOM 0 H5'' DG B 21 10.337 8.449 -8.445 1.00 0.57 H new ATOM 0 H4' DG B 21 10.162 6.241 -9.406 1.00 0.60 H new ATOM 0 H3' DG B 21 8.770 8.469 -10.440 1.00 0.63 H new ATOM 0 H2' DG B 21 6.557 7.694 -10.030 1.00 0.56 H new ATOM 0 H2'' DG B 21 6.876 6.760 -11.479 1.00 0.56 H new ATOM 0 H1' DG B 21 7.403 4.838 -10.321 1.00 0.53 H new ATOM 0 H8 DG B 21 5.239 7.268 -8.312 1.00 0.42 H new ATOM 0 H1 DG B 21 3.554 1.077 -8.081 1.00 0.51 H new ATOM 0 H21 DG B 21 6.431 0.544 -9.950 1.00 0.60 H new ATOM 0 H22 DG B 21 5.009 -0.150 -9.165 1.00 0.60 H new ATOM 660 P DA B 22 8.989 7.380 -13.039 1.00 0.87 P ATOM 661 OP1 DA B 22 10.251 7.728 -13.740 1.00 1.02 O ATOM 662 OP2 DA B 22 7.906 8.391 -12.934 1.00 0.88 O ATOM 663 O5' DA B 22 8.388 6.074 -13.725 1.00 0.89 O ATOM 664 C5' DA B 22 8.797 4.770 -13.305 1.00 0.86 C ATOM 665 C4' DA B 22 7.903 3.716 -13.916 1.00 0.87 C ATOM 666 O4' DA B 22 6.845 3.400 -12.977 1.00 0.81 O ATOM 667 C3' DA B 22 7.207 4.124 -15.219 1.00 0.95 C ATOM 668 O3' DA B 22 7.277 3.050 -16.165 1.00 1.06 O ATOM 669 C2' DA B 22 5.772 4.386 -14.795 1.00 0.84 C ATOM 670 C1' DA B 22 5.598 3.424 -13.643 1.00 0.75 C ATOM 671 N9 DA B 22 4.575 3.818 -12.678 1.00 0.63 N ATOM 672 C8 DA B 22 4.364 5.068 -12.160 1.00 0.59 C ATOM 673 N7 DA B 22 3.376 5.126 -11.301 1.00 0.49 N ATOM 674 C5 DA B 22 2.897 3.824 -11.258 1.00 0.46 C ATOM 675 C6 DA B 22 1.843 3.225 -10.548 1.00 0.41 C ATOM 676 N6 DA B 22 1.039 3.884 -9.712 1.00 0.38 N ATOM 677 N1 DA B 22 1.632 1.905 -10.734 1.00 0.45 N ATOM 678 C2 DA B 22 2.428 1.241 -11.582 1.00 0.51 C ATOM 679 N3 DA B 22 3.437 1.695 -12.318 1.00 0.57 N ATOM 680 C4 DA B 22 3.625 3.008 -12.105 1.00 0.55 C ATOM 0 H5' DA B 22 8.759 4.703 -12.218 1.00 0.86 H new ATOM 0 H5'' DA B 22 9.832 4.594 -13.599 1.00 0.86 H new ATOM 0 H4' DA B 22 8.566 2.881 -14.142 1.00 0.87 H new ATOM 0 H3' DA B 22 7.661 4.990 -15.701 1.00 0.95 H new ATOM 0 H2' DA B 22 5.621 5.421 -14.488 1.00 0.84 H new ATOM 0 H2'' DA B 22 5.066 4.187 -15.602 1.00 0.84 H new ATOM 0 H1' DA B 22 5.277 2.462 -14.042 1.00 0.75 H new ATOM 0 H8 DA B 22 4.958 5.928 -12.434 1.00 0.59 H new ATOM 0 H61 DA B 22 0.291 3.388 -9.227 1.00 0.38 H new ATOM 0 H62 DA B 22 1.172 4.883 -9.558 1.00 0.38 H new ATOM 0 H2 DA B 22 2.220 0.186 -11.682 1.00 0.51 H new ATOM 692 P DG B 23 6.547 3.189 -17.590 1.00 1.18 P ATOM 693 OP1 DG B 23 7.074 2.110 -18.464 1.00 1.32 O ATOM 694 OP2 DG B 23 6.643 4.603 -18.034 1.00 1.32 O ATOM 695 O5' DG B 23 5.020 2.867 -17.270 1.00 0.99 O ATOM 696 C5' DG B 23 4.624 1.585 -16.779 1.00 0.86 C ATOM 697 C4' DG B 23 3.142 1.381 -16.986 1.00 0.75 C ATOM 698 O4' DG B 23 2.448 1.772 -15.777 1.00 0.64 O ATOM 699 C3' DG B 23 2.530 2.210 -18.122 1.00 0.85 C ATOM 700 O3' DG B 23 1.808 1.362 -19.022 1.00 0.91 O ATOM 701 C2' DG B 23 1.587 3.170 -17.417 1.00 0.80 C ATOM 702 C1' DG B 23 1.261 2.439 -16.137 1.00 0.66 C ATOM 703 N9 DG B 23 0.870 3.314 -15.038 1.00 0.59 N ATOM 704 C8 DG B 23 1.377 4.558 -14.761 1.00 0.61 C ATOM 705 N7 DG B 23 0.810 5.129 -13.735 1.00 0.55 N ATOM 706 C5 DG B 23 -0.127 4.199 -13.302 1.00 0.51 C ATOM 707 C6 DG B 23 -1.052 4.255 -12.227 1.00 0.49 C ATOM 708 O6 DG B 23 -1.237 5.168 -11.414 1.00 0.49 O ATOM 709 N1 DG B 23 -1.814 3.095 -12.147 1.00 0.51 N ATOM 710 C2 DG B 23 -1.698 2.016 -12.989 1.00 0.52 C ATOM 711 N2 DG B 23 -2.517 0.988 -12.752 1.00 0.56 N ATOM 712 N3 DG B 23 -0.841 1.950 -13.991 1.00 0.53 N ATOM 713 C4 DG B 23 -0.094 3.069 -14.091 1.00 0.53 C ATOM 0 H5' DG B 23 4.865 1.503 -15.719 1.00 0.86 H new ATOM 0 H5'' DG B 23 5.181 0.802 -17.294 1.00 0.86 H new ATOM 0 H4' DG B 23 3.027 0.328 -17.244 1.00 0.75 H new ATOM 0 H3' DG B 23 3.281 2.728 -18.718 1.00 0.85 H new ATOM 0 H2' DG B 23 2.060 4.133 -17.224 1.00 0.80 H new ATOM 0 H2'' DG B 23 0.693 3.367 -18.009 1.00 0.80 H new ATOM 0 H1' DG B 23 0.409 1.781 -16.311 1.00 0.66 H new ATOM 0 H8 DG B 23 2.167 5.019 -15.335 1.00 0.61 H new ATOM 0 H1 DG B 23 -2.513 3.041 -11.406 1.00 0.51 H new ATOM 0 H21 DG B 23 -2.478 0.158 -13.344 1.00 0.56 H new ATOM 0 H22 DG B 23 -3.181 1.033 -11.979 1.00 0.56 H new ATOM 725 P DG B 24 1.070 1.995 -20.304 1.00 1.06 P ATOM 726 OP1 DG B 24 1.327 1.109 -21.467 1.00 1.15 O ATOM 727 OP2 DG B 24 1.435 3.433 -20.383 1.00 1.15 O ATOM 728 O5' DG B 24 -0.479 1.901 -19.941 1.00 1.07 O ATOM 729 C5' DG B 24 -1.094 0.641 -19.673 1.00 1.04 C ATOM 730 C4' DG B 24 -2.551 0.832 -19.324 1.00 1.08 C ATOM 731 O4' DG B 24 -2.639 1.597 -18.099 1.00 0.99 O ATOM 732 C3' DG B 24 -3.377 1.594 -20.367 1.00 1.26 C ATOM 733 O3' DG B 24 -4.561 0.862 -20.690 1.00 1.35 O ATOM 734 C2' DG B 24 -3.746 2.900 -19.677 1.00 1.25 C ATOM 735 C1' DG B 24 -3.690 2.530 -18.211 1.00 1.08 C ATOM 736 N9 DG B 24 -3.412 3.632 -17.294 1.00 1.03 N ATOM 737 C8 DG B 24 -2.402 4.561 -17.382 1.00 1.06 C ATOM 738 N7 DG B 24 -2.412 5.426 -16.406 1.00 1.04 N ATOM 739 C5 DG B 24 -3.492 5.045 -15.622 1.00 0.99 C ATOM 740 C6 DG B 24 -4.000 5.604 -14.420 1.00 0.96 C ATOM 741 O6 DG B 24 -3.584 6.582 -13.788 1.00 0.98 O ATOM 742 N1 DG B 24 -5.110 4.903 -13.959 1.00 0.95 N ATOM 743 C2 DG B 24 -5.660 3.807 -14.574 1.00 0.97 C ATOM 744 N2 DG B 24 -6.728 3.268 -13.976 1.00 1.00 N ATOM 745 N3 DG B 24 -5.198 3.276 -15.692 1.00 0.99 N ATOM 746 C4 DG B 24 -4.120 3.940 -16.157 1.00 0.99 C ATOM 0 H5' DG B 24 -0.578 0.145 -18.851 1.00 1.04 H new ATOM 0 H5'' DG B 24 -1.004 -0.008 -20.544 1.00 1.04 H new ATOM 0 H4' DG B 24 -2.960 -0.176 -19.251 1.00 1.08 H new ATOM 0 H3' DG B 24 -2.831 1.749 -21.298 1.00 1.26 H new ATOM 0 H2' DG B 24 -3.045 3.698 -19.920 1.00 1.25 H new ATOM 0 H2'' DG B 24 -4.737 3.246 -19.969 1.00 1.25 H new ATOM 0 HO3' DG B 24 -5.081 1.359 -21.355 1.00 1.35 H new ATOM 0 H1' DG B 24 -4.675 2.160 -17.924 1.00 1.08 H new ATOM 0 H8 DG B 24 -1.674 4.573 -18.179 1.00 1.06 H new ATOM 0 H1 DG B 24 -5.548 5.229 -13.098 1.00 0.95 H new ATOM 0 H21 DG B 24 -7.183 2.451 -14.384 1.00 1.00 H new ATOM 0 H22 DG B 24 -7.088 3.674 -13.112 1.00 1.00 H new TER 759 DG B 24 HETATM 760 PT1 CPT A 77 3.141 -2.169 -0.194 1.00 0.48 PT HETATM 761 N1 CPT A 77 2.056 -2.993 -1.696 1.00 0.63 N HETATM 762 N2 CPT A 77 1.717 -2.755 1.123 1.00 0.48 N