USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 DG O5' : rot 38:sc= 0.464! USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.4! (180deg=-7.41!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.177 -4.138 -7.242 1.00 0.00 O ATOM 2 C5' DG A 1 3.264 -4.074 -8.665 1.00 0.00 C ATOM 3 C4' DG A 1 1.931 -3.662 -9.292 1.00 0.00 C ATOM 4 O4' DG A 1 0.908 -4.584 -8.910 1.00 0.00 O ATOM 5 C3' DG A 1 1.442 -2.288 -8.874 1.00 0.00 C ATOM 6 O3' DG A 1 1.980 -1.288 -9.745 1.00 0.00 O ATOM 7 C2' DG A 1 -0.063 -2.392 -9.069 1.00 0.00 C ATOM 8 C1' DG A 1 -0.340 -3.877 -8.829 1.00 0.00 C ATOM 9 N9 DG A 1 -0.938 -4.156 -7.509 1.00 0.00 N ATOM 10 C8 DG A 1 -2.245 -4.057 -7.123 1.00 0.00 C ATOM 11 N7 DG A 1 -2.476 -4.343 -5.878 1.00 0.00 N ATOM 12 C5 DG A 1 -1.212 -4.664 -5.384 1.00 0.00 C ATOM 13 C6 DG A 1 -0.819 -5.062 -4.076 1.00 0.00 C ATOM 14 O6 DG A 1 -1.523 -5.205 -3.079 1.00 0.00 O ATOM 15 N1 DG A 1 0.548 -5.292 -4.003 1.00 0.00 N ATOM 16 C2 DG A 1 1.431 -5.158 -5.054 1.00 0.00 C ATOM 17 N2 DG A 1 2.709 -5.428 -4.786 1.00 0.00 N ATOM 18 N3 DG A 1 1.067 -4.782 -6.286 1.00 0.00 N ATOM 19 C4 DG A 1 -0.264 -4.552 -6.378 1.00 0.00 C ATOM 0 H5' DG A 1 3.566 -5.046 -9.056 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.037 -3.361 -8.951 1.00 0.00 H new ATOM 0 H4' DG A 1 2.119 -3.652 -10.366 1.00 0.00 H new ATOM 0 H3' DG A 1 1.733 -2.012 -7.860 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.606 -1.761 -8.365 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.362 -2.082 -10.070 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.304 -4.500 -6.984 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.056 -4.199 -9.585 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.029 -3.762 -7.804 1.00 0.00 H new ATOM 0 H1 DG A 1 0.929 -5.583 -3.102 1.00 0.00 H new ATOM 0 H21 DG A 1 3.412 -5.348 -5.521 1.00 0.00 H new ATOM 0 H22 DG A 1 2.983 -5.715 -3.846 1.00 0.00 H new ATOM 32 P DG A 2 2.236 0.204 -9.201 1.00 0.00 P ATOM 33 OP1 DG A 2 2.813 1.009 -10.301 1.00 0.00 O ATOM 34 OP2 DG A 2 2.948 0.106 -7.907 1.00 0.00 O ATOM 35 O5' DG A 2 0.741 0.734 -8.915 1.00 0.00 O ATOM 36 C5' DG A 2 -0.180 0.918 -9.995 1.00 0.00 C ATOM 37 C4' DG A 2 -1.618 1.062 -9.497 1.00 0.00 C ATOM 38 O4' DG A 2 -2.028 -0.118 -8.807 1.00 0.00 O ATOM 39 C3' DG A 2 -1.831 2.223 -8.534 1.00 0.00 C ATOM 40 O3' DG A 2 -2.163 3.413 -9.252 1.00 0.00 O ATOM 41 C2' DG A 2 -3.021 1.758 -7.718 1.00 0.00 C ATOM 42 C1' DG A 2 -2.745 0.261 -7.621 1.00 0.00 C ATOM 43 N9 DG A 2 -1.920 -0.117 -6.458 1.00 0.00 N ATOM 44 C8 DG A 2 -0.559 -0.176 -6.353 1.00 0.00 C ATOM 45 N7 DG A 2 -0.110 -0.513 -5.179 1.00 0.00 N ATOM 46 C5 DG A 2 -1.274 -0.697 -4.433 1.00 0.00 C ATOM 47 C6 DG A 2 -1.434 -1.073 -3.070 1.00 0.00 C ATOM 48 O6 DG A 2 -0.562 -1.314 -2.237 1.00 0.00 O ATOM 49 N1 DG A 2 -2.775 -1.145 -2.716 1.00 0.00 N ATOM 50 C2 DG A 2 -3.834 -0.889 -3.564 1.00 0.00 C ATOM 51 N2 DG A 2 -5.054 -1.015 -3.041 1.00 0.00 N ATOM 52 N3 DG A 2 -3.687 -0.534 -4.843 1.00 0.00 N ATOM 53 C4 DG A 2 -2.386 -0.458 -5.209 1.00 0.00 C ATOM 0 H5' DG A 2 -0.115 0.070 -10.677 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.099 1.806 -10.563 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.204 1.243 -10.398 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.951 2.460 -7.936 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.060 2.234 -6.738 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.968 1.971 -8.213 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.705 -0.244 -7.511 1.00 0.00 H new ATOM 0 H8 DG A 2 0.096 0.041 -7.184 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.995 -1.407 -1.755 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.877 -0.839 -3.618 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.164 -1.287 -2.064 1.00 0.00 H new ATOM 65 P DG A 3 -2.066 4.844 -8.524 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.065 5.894 -9.566 1.00 0.00 O ATOM 67 OP2 DG A 3 -0.967 4.783 -7.533 1.00 0.00 O ATOM 68 O5' DG A 3 -3.463 4.924 -7.729 1.00 0.00 O ATOM 69 C5' DG A 3 -4.703 4.849 -8.437 1.00 0.00 C ATOM 70 C4' DG A 3 -5.899 4.956 -7.496 1.00 0.00 C ATOM 71 O4' DG A 3 -5.746 3.986 -6.448 1.00 0.00 O ATOM 72 C3' DG A 3 -6.050 6.328 -6.847 1.00 0.00 C ATOM 73 O3' DG A 3 -7.411 6.754 -6.974 1.00 0.00 O ATOM 74 C2' DG A 3 -5.709 6.138 -5.376 1.00 0.00 C ATOM 75 C1' DG A 3 -5.692 4.627 -5.169 1.00 0.00 C ATOM 76 N9 DG A 3 -4.480 4.138 -4.480 1.00 0.00 N ATOM 77 C8 DG A 3 -3.200 4.049 -4.948 1.00 0.00 C ATOM 78 N7 DG A 3 -2.333 3.585 -4.101 1.00 0.00 N ATOM 79 C5 DG A 3 -3.099 3.340 -2.963 1.00 0.00 C ATOM 80 C6 DG A 3 -2.708 2.824 -1.698 1.00 0.00 C ATOM 81 O6 DG A 3 -1.588 2.478 -1.329 1.00 0.00 O ATOM 82 N1 DG A 3 -3.788 2.733 -0.830 1.00 0.00 N ATOM 83 C2 DG A 3 -5.085 3.091 -1.138 1.00 0.00 C ATOM 84 N2 DG A 3 -5.988 2.928 -0.171 1.00 0.00 N ATOM 85 N3 DG A 3 -5.455 3.578 -2.327 1.00 0.00 N ATOM 86 C4 DG A 3 -4.416 3.675 -3.187 1.00 0.00 C ATOM 0 H5' DG A 3 -4.753 3.907 -8.983 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.749 5.649 -9.176 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.789 4.783 -8.101 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.406 7.074 -7.312 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.743 6.581 -5.134 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.449 6.616 -4.734 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.552 4.391 -4.542 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.929 4.344 -5.951 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.609 2.374 0.108 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.964 3.175 -0.337 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.703 2.557 0.735 1.00 0.00 H new ATOM 98 P DG A 4 -7.828 7.831 -8.095 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.726 8.810 -8.229 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.200 8.301 -7.798 1.00 0.00 O ATOM 101 O5' DG A 4 -7.881 6.942 -9.436 1.00 0.00 O ATOM 102 C5' DG A 4 -9.127 6.696 -10.092 1.00 0.00 C ATOM 103 C4' DG A 4 -8.924 6.072 -11.470 1.00 0.00 C ATOM 104 O4' DG A 4 -8.201 6.987 -12.301 1.00 0.00 O ATOM 105 C3' DG A 4 -8.138 4.769 -11.441 1.00 0.00 C ATOM 106 O3' DG A 4 -8.632 3.889 -12.458 1.00 0.00 O ATOM 107 C2' DG A 4 -6.711 5.187 -11.767 1.00 0.00 C ATOM 108 C1' DG A 4 -6.893 6.469 -12.577 1.00 0.00 C ATOM 109 N9 DG A 4 -5.922 7.527 -12.246 1.00 0.00 N ATOM 110 C8 DG A 4 -5.471 7.932 -11.021 1.00 0.00 C ATOM 111 N7 DG A 4 -4.608 8.902 -11.044 1.00 0.00 N ATOM 112 C5 DG A 4 -4.467 9.171 -12.404 1.00 0.00 C ATOM 113 C6 DG A 4 -3.656 10.136 -13.060 1.00 0.00 C ATOM 114 O6 DG A 4 -2.889 10.956 -12.560 1.00 0.00 O ATOM 115 N1 DG A 4 -3.811 10.077 -14.440 1.00 0.00 N ATOM 116 C2 DG A 4 -4.642 9.200 -15.107 1.00 0.00 C ATOM 117 N2 DG A 4 -4.657 9.294 -16.437 1.00 0.00 N ATOM 118 N3 DG A 4 -5.405 8.292 -14.493 1.00 0.00 N ATOM 119 C4 DG A 4 -5.268 8.334 -13.146 1.00 0.00 C ATOM 0 H5' DG A 4 -9.676 7.632 -10.193 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.737 6.033 -9.478 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.921 5.857 -11.854 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.215 4.247 -10.487 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.127 5.362 -10.863 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.189 4.421 -12.340 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.745 6.204 -13.624 1.00 0.00 H new ATOM 0 H8 DG A 4 -5.808 7.478 -10.101 1.00 0.00 H new ATOM 0 H1 DG A 4 -3.269 10.732 -15.003 1.00 0.00 H new ATOM 0 H21 DG A 4 -5.251 8.673 -16.986 1.00 0.00 H new ATOM 0 H22 DG A 4 -4.074 9.987 -16.906 1.00 0.00 H new ATOM 131 P DC A 5 -9.667 2.712 -12.088 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.162 2.118 -13.351 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.627 3.236 -11.093 1.00 0.00 O ATOM 134 O5' DC A 5 -8.725 1.628 -11.357 1.00 0.00 O ATOM 135 C5' DC A 5 -7.605 1.062 -12.043 1.00 0.00 C ATOM 136 C4' DC A 5 -6.899 -0.003 -11.201 1.00 0.00 C ATOM 137 O4' DC A 5 -6.423 0.521 -9.972 1.00 0.00 O ATOM 138 C3' DC A 5 -7.789 -1.190 -10.823 1.00 0.00 C ATOM 139 O3' DC A 5 -7.576 -2.246 -11.771 1.00 0.00 O ATOM 140 C2' DC A 5 -7.304 -1.636 -9.455 1.00 0.00 C ATOM 141 C1' DC A 5 -6.258 -0.594 -9.093 1.00 0.00 C ATOM 142 N1 DC A 5 -6.349 -0.104 -7.703 1.00 0.00 N ATOM 143 C2 DC A 5 -5.975 -0.981 -6.696 1.00 0.00 C ATOM 144 O2 DC A 5 -5.599 -2.116 -6.980 1.00 0.00 O ATOM 145 N3 DC A 5 -6.022 -0.546 -5.408 1.00 0.00 N ATOM 146 C4 DC A 5 -6.418 0.702 -5.116 1.00 0.00 C ATOM 147 N4 DC A 5 -6.449 1.098 -3.842 1.00 0.00 N ATOM 148 C5 DC A 5 -6.805 1.611 -6.152 1.00 0.00 C ATOM 149 C6 DC A 5 -6.756 1.169 -7.426 1.00 0.00 C ATOM 0 H5' DC A 5 -6.898 1.852 -12.297 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.940 0.620 -12.981 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.087 -0.336 -11.848 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.848 -0.933 -10.816 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.116 -1.658 -8.729 1.00 0.00 H new ATOM 0 H2'' DC A 5 -6.878 -2.639 -9.487 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.284 -1.074 -9.192 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.749 2.045 -3.609 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.173 0.454 -3.101 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.125 2.616 -5.922 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.041 1.828 -8.233 1.00 0.00 H new ATOM 161 P DG A 6 -8.727 -3.338 -12.061 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.270 -4.206 -13.170 1.00 0.00 O ATOM 163 OP2 DG A 6 -10.020 -2.628 -12.169 1.00 0.00 O ATOM 164 O5' DG A 6 -8.739 -4.217 -10.706 1.00 0.00 O ATOM 165 C5' DG A 6 -9.885 -5.010 -10.370 1.00 0.00 C ATOM 166 C4' DG A 6 -9.746 -5.683 -9.003 1.00 0.00 C ATOM 167 O4' DG A 6 -8.653 -6.593 -8.986 1.00 0.00 O ATOM 168 C3' DG A 6 -9.493 -4.732 -7.849 1.00 0.00 C ATOM 169 O3' DG A 6 -10.734 -4.216 -7.362 1.00 0.00 O ATOM 170 C2' DG A 6 -8.862 -5.636 -6.797 1.00 0.00 C ATOM 171 C1' DG A 6 -8.217 -6.747 -7.629 1.00 0.00 C ATOM 172 N9 DG A 6 -6.747 -6.703 -7.612 1.00 0.00 N ATOM 173 C8 DG A 6 -5.896 -6.045 -8.450 1.00 0.00 C ATOM 174 N7 DG A 6 -4.636 -6.177 -8.169 1.00 0.00 N ATOM 175 C5 DG A 6 -4.646 -6.995 -7.040 1.00 0.00 C ATOM 176 C6 DG A 6 -3.563 -7.491 -6.266 1.00 0.00 C ATOM 177 O6 DG A 6 -2.361 -7.300 -6.429 1.00 0.00 O ATOM 178 N1 DG A 6 -4.010 -8.280 -5.213 1.00 0.00 N ATOM 179 C2 DG A 6 -5.331 -8.558 -4.934 1.00 0.00 C ATOM 180 N2 DG A 6 -5.559 -9.334 -3.875 1.00 0.00 N ATOM 181 N3 DG A 6 -6.352 -8.093 -5.660 1.00 0.00 N ATOM 182 C4 DG A 6 -5.936 -7.322 -6.693 1.00 0.00 C ATOM 0 H5' DG A 6 -10.033 -5.773 -11.134 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.774 -4.379 -10.373 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.711 -6.171 -8.865 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.874 -3.876 -8.118 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.124 -5.102 -6.198 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.607 -6.031 -6.107 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.520 -7.701 -7.197 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.245 -5.457 -9.286 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.305 -8.686 -4.598 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.516 -9.576 -3.617 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.777 -9.686 -3.323 1.00 0.00 H new ATOM 194 P DG A 7 -10.786 -2.814 -6.569 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.186 -2.332 -6.586 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.701 -1.949 -7.081 1.00 0.00 O ATOM 197 O5' DG A 7 -10.418 -3.247 -5.060 1.00 0.00 O ATOM 198 C5' DG A 7 -11.271 -4.147 -4.353 1.00 0.00 C ATOM 199 C4' DG A 7 -10.877 -4.301 -2.883 1.00 0.00 C ATOM 200 O4' DG A 7 -9.572 -4.880 -2.693 1.00 0.00 O ATOM 201 C3' DG A 7 -10.827 -2.995 -2.079 1.00 0.00 C ATOM 202 O3' DG A 7 -12.137 -2.667 -1.596 1.00 0.00 O ATOM 203 C2' DG A 7 -9.921 -3.376 -0.900 1.00 0.00 C ATOM 204 C1' DG A 7 -9.419 -4.759 -1.287 1.00 0.00 C ATOM 205 N9 DG A 7 -8.016 -5.044 -0.899 1.00 0.00 N ATOM 206 C8 DG A 7 -7.558 -5.412 0.333 1.00 0.00 C ATOM 207 N7 DG A 7 -6.278 -5.573 0.428 1.00 0.00 N ATOM 208 C5 DG A 7 -5.819 -5.294 -0.854 1.00 0.00 C ATOM 209 C6 DG A 7 -4.490 -5.308 -1.355 1.00 0.00 C ATOM 210 O6 DG A 7 -3.452 -5.565 -0.749 1.00 0.00 O ATOM 211 N1 DG A 7 -4.446 -4.970 -2.696 1.00 0.00 N ATOM 212 C2 DG A 7 -5.546 -4.657 -3.470 1.00 0.00 C ATOM 213 N2 DG A 7 -5.297 -4.362 -4.745 1.00 0.00 N ATOM 214 N3 DG A 7 -6.809 -4.639 -3.003 1.00 0.00 N ATOM 215 C4 DG A 7 -6.872 -4.967 -1.688 1.00 0.00 C ATOM 0 H5' DG A 7 -11.243 -5.123 -4.837 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.299 -3.790 -4.414 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.678 -4.947 -2.524 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.476 -2.137 -2.652 1.00 0.00 H new ATOM 0 H2' DG A 7 -9.101 -2.669 -0.776 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.470 -3.395 0.041 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.009 -5.492 -0.736 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.221 -5.559 1.173 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.531 -4.951 -3.147 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.065 -4.122 -5.372 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.339 -4.377 -5.094 1.00 0.00 H new ATOM 227 P DG A 8 -12.515 -1.157 -1.188 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.944 -1.132 -0.802 1.00 0.00 O ATOM 229 OP2 DG A 8 -12.022 -0.255 -2.251 1.00 0.00 O ATOM 230 O5' DG A 8 -11.629 -0.914 0.136 1.00 0.00 O ATOM 231 C5' DG A 8 -11.883 -1.675 1.321 1.00 0.00 C ATOM 232 C4' DG A 8 -10.673 -1.710 2.247 1.00 0.00 C ATOM 233 O4' DG A 8 -9.494 -2.147 1.562 1.00 0.00 O ATOM 234 C3' DG A 8 -10.299 -0.358 2.840 1.00 0.00 C ATOM 235 O3' DG A 8 -10.975 -0.170 4.085 1.00 0.00 O ATOM 236 C2' DG A 8 -8.795 -0.470 3.088 1.00 0.00 C ATOM 237 C1' DG A 8 -8.401 -1.784 2.406 1.00 0.00 C ATOM 238 N9 DG A 8 -7.185 -1.701 1.575 1.00 0.00 N ATOM 239 C8 DG A 8 -7.053 -1.329 0.267 1.00 0.00 C ATOM 240 N7 DG A 8 -5.835 -1.345 -0.189 1.00 0.00 N ATOM 241 C5 DG A 8 -5.088 -1.766 0.910 1.00 0.00 C ATOM 242 C6 DG A 8 -3.686 -1.979 1.035 1.00 0.00 C ATOM 243 O6 DG A 8 -2.813 -1.829 0.183 1.00 0.00 O ATOM 244 N1 DG A 8 -3.348 -2.404 2.314 1.00 0.00 N ATOM 245 C2 DG A 8 -4.243 -2.603 3.346 1.00 0.00 C ATOM 246 N2 DG A 8 -3.730 -3.020 4.503 1.00 0.00 N ATOM 247 N3 DG A 8 -5.559 -2.401 3.232 1.00 0.00 N ATOM 248 C4 DG A 8 -5.909 -1.987 1.993 1.00 0.00 C ATOM 0 H5' DG A 8 -12.159 -2.693 1.046 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.733 -1.247 1.852 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.984 -2.395 3.035 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.566 0.477 2.192 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.257 0.377 2.663 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.567 -0.490 4.154 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.182 -2.511 3.188 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.897 -1.043 -0.343 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.362 -2.583 2.505 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.342 -3.185 5.302 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.725 -3.175 4.589 1.00 0.00 H new ATOM 260 P DG A 9 -10.870 1.236 4.858 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.928 1.280 5.892 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.784 2.311 3.844 1.00 0.00 O ATOM 263 O5' DG A 9 -9.443 1.128 5.600 1.00 0.00 O ATOM 264 C5' DG A 9 -9.171 0.054 6.507 1.00 0.00 C ATOM 265 C4' DG A 9 -7.683 -0.036 6.857 1.00 0.00 C ATOM 266 O4' DG A 9 -6.893 0.008 5.647 1.00 0.00 O ATOM 267 C3' DG A 9 -7.171 1.121 7.733 1.00 0.00 C ATOM 268 O3' DG A 9 -6.229 0.621 8.692 1.00 0.00 O ATOM 269 C2' DG A 9 -6.424 1.990 6.742 1.00 0.00 C ATOM 270 C1' DG A 9 -5.811 0.895 5.907 1.00 0.00 C ATOM 271 N9 DG A 9 -5.195 1.314 4.640 1.00 0.00 N ATOM 272 C8 DG A 9 -5.766 1.780 3.491 1.00 0.00 C ATOM 273 N7 DG A 9 -4.924 2.077 2.542 1.00 0.00 N ATOM 274 C5 DG A 9 -3.685 1.780 3.113 1.00 0.00 C ATOM 275 C6 DG A 9 -2.373 1.894 2.573 1.00 0.00 C ATOM 276 O6 DG A 9 -2.037 2.292 1.460 1.00 0.00 O ATOM 277 N1 DG A 9 -1.408 1.485 3.489 1.00 0.00 N ATOM 278 C2 DG A 9 -1.671 1.024 4.764 1.00 0.00 C ATOM 279 N2 DG A 9 -0.617 0.673 5.500 1.00 0.00 N ATOM 280 N3 DG A 9 -2.897 0.920 5.270 1.00 0.00 N ATOM 281 C4 DG A 9 -3.849 1.313 4.394 1.00 0.00 C ATOM 0 H5' DG A 9 -9.497 -0.887 6.064 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.751 0.194 7.419 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.580 -0.971 7.408 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.967 1.634 8.273 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.083 2.641 6.168 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.679 2.629 7.216 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.975 0.461 6.456 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.834 1.894 3.377 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.432 1.529 3.196 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.751 0.325 6.450 1.00 0.00 H new ATOM 0 H22 DG A 9 0.324 0.752 5.114 1.00 0.00 H new ATOM 293 P DC A 10 -6.705 -0.026 10.085 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.947 0.651 10.512 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.537 -0.071 10.995 1.00 0.00 O ATOM 296 O5' DC A 10 -7.064 -1.535 9.660 1.00 0.00 O ATOM 297 C5' DC A 10 -6.022 -2.488 9.425 1.00 0.00 C ATOM 298 C4' DC A 10 -6.584 -3.894 9.250 1.00 0.00 C ATOM 299 O4' DC A 10 -7.220 -4.302 10.464 1.00 0.00 O ATOM 300 C3' DC A 10 -7.619 -3.998 8.142 1.00 0.00 C ATOM 301 O3' DC A 10 -7.565 -5.302 7.557 1.00 0.00 O ATOM 302 C2' DC A 10 -8.940 -3.812 8.868 1.00 0.00 C ATOM 303 C1' DC A 10 -8.643 -4.321 10.277 1.00 0.00 C ATOM 304 N1 DC A 10 -9.240 -3.508 11.355 1.00 0.00 N ATOM 305 C2 DC A 10 -10.528 -3.824 11.756 1.00 0.00 C ATOM 306 O2 DC A 10 -11.133 -4.744 11.210 1.00 0.00 O ATOM 307 N3 DC A 10 -11.089 -3.096 12.760 1.00 0.00 N ATOM 308 C4 DC A 10 -10.415 -2.099 13.347 1.00 0.00 C ATOM 309 N4 DC A 10 -10.994 -1.407 14.330 1.00 0.00 N ATOM 310 C5 DC A 10 -9.085 -1.767 12.935 1.00 0.00 C ATOM 311 C6 DC A 10 -8.539 -2.493 11.941 1.00 0.00 C ATOM 0 H5' DC A 10 -5.321 -2.476 10.259 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.462 -2.205 8.534 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.738 -4.529 8.988 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.467 -3.274 7.341 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.251 -2.767 8.875 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.742 -4.380 8.396 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.079 -5.318 10.346 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.489 -0.646 14.784 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.941 -1.639 14.628 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.539 -0.963 13.405 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.537 -2.271 11.604 1.00 0.00 H new ATOM 323 P DG A 11 -6.692 -5.562 6.229 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.548 -4.277 5.510 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.252 -6.742 5.531 1.00 0.00 O ATOM 326 O5' DG A 11 -5.253 -5.965 6.828 1.00 0.00 O ATOM 327 C5' DG A 11 -5.123 -7.117 7.662 1.00 0.00 C ATOM 328 C4' DG A 11 -3.663 -7.494 7.897 1.00 0.00 C ATOM 329 O4' DG A 11 -3.059 -8.000 6.698 1.00 0.00 O ATOM 330 C3' DG A 11 -2.780 -6.345 8.360 1.00 0.00 C ATOM 331 O3' DG A 11 -2.783 -6.282 9.791 1.00 0.00 O ATOM 332 C2' DG A 11 -1.388 -6.726 7.862 1.00 0.00 C ATOM 333 C1' DG A 11 -1.645 -7.833 6.831 1.00 0.00 C ATOM 334 N9 DG A 11 -1.084 -7.540 5.499 1.00 0.00 N ATOM 335 C8 DG A 11 0.210 -7.645 5.083 1.00 0.00 C ATOM 336 N7 DG A 11 0.426 -7.307 3.849 1.00 0.00 N ATOM 337 C5 DG A 11 -0.839 -6.941 3.394 1.00 0.00 C ATOM 338 C6 DG A 11 -1.244 -6.477 2.115 1.00 0.00 C ATOM 339 O6 DG A 11 -0.552 -6.297 1.116 1.00 0.00 O ATOM 340 N1 DG A 11 -2.607 -6.219 2.074 1.00 0.00 N ATOM 341 C2 DG A 11 -3.477 -6.386 3.131 1.00 0.00 C ATOM 342 N2 DG A 11 -4.753 -6.080 2.895 1.00 0.00 N ATOM 343 N3 DG A 11 -3.101 -6.824 4.338 1.00 0.00 N ATOM 344 C4 DG A 11 -1.772 -7.081 4.398 1.00 0.00 C ATOM 0 H5' DG A 11 -5.644 -7.957 7.203 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.607 -6.927 8.620 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.715 -8.243 8.687 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.112 -5.376 7.988 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.879 -5.873 7.412 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.757 -7.080 8.677 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.151 -8.734 7.195 1.00 0.00 H new ATOM 0 H8 DG A 11 1.000 -7.986 5.735 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.995 -5.880 1.194 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.447 -6.182 3.635 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.035 -5.744 1.974 1.00 0.00 H new ATOM 356 P DG A 12 -2.672 -4.864 10.544 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.714 -5.108 12.003 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.643 -3.940 9.920 1.00 0.00 O ATOM 359 O5' DG A 12 -1.187 -4.377 10.158 1.00 0.00 O ATOM 360 C5' DG A 12 -0.047 -5.109 10.612 1.00 0.00 C ATOM 361 C4' DG A 12 1.195 -4.794 9.782 1.00 0.00 C ATOM 362 O4' DG A 12 0.964 -5.070 8.409 1.00 0.00 O ATOM 363 C3' DG A 12 1.630 -3.336 9.841 1.00 0.00 C ATOM 364 O3' DG A 12 2.581 -3.167 10.895 1.00 0.00 O ATOM 365 C2' DG A 12 2.299 -3.080 8.495 1.00 0.00 C ATOM 366 C1' DG A 12 1.781 -4.213 7.603 1.00 0.00 C ATOM 367 N9 DG A 12 0.963 -3.757 6.465 1.00 0.00 N ATOM 368 C8 DG A 12 -0.384 -3.535 6.405 1.00 0.00 C ATOM 369 N7 DG A 12 -0.826 -3.126 5.253 1.00 0.00 N ATOM 370 C5 DG A 12 0.327 -3.069 4.472 1.00 0.00 C ATOM 371 C6 DG A 12 0.488 -2.689 3.112 1.00 0.00 C ATOM 372 O6 DG A 12 -0.372 -2.315 2.319 1.00 0.00 O ATOM 373 N1 DG A 12 1.815 -2.773 2.714 1.00 0.00 N ATOM 374 C2 DG A 12 2.861 -3.174 3.520 1.00 0.00 C ATOM 375 N2 DG A 12 4.069 -3.195 2.955 1.00 0.00 N ATOM 376 N3 DG A 12 2.714 -3.530 4.799 1.00 0.00 N ATOM 377 C4 DG A 12 1.427 -3.454 5.207 1.00 0.00 C ATOM 0 H5' DG A 12 -0.257 -6.177 10.561 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.145 -4.871 11.658 1.00 0.00 H new ATOM 0 H4' DG A 12 1.973 -5.422 10.216 1.00 0.00 H new ATOM 0 H3' DG A 12 0.800 -2.655 10.028 1.00 0.00 H new ATOM 0 H2' DG A 12 2.030 -2.102 8.095 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.386 -3.102 8.578 1.00 0.00 H new ATOM 0 H1' DG A 12 2.656 -4.714 7.189 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.034 -3.688 7.253 1.00 0.00 H new ATOM 0 H1 DG A 12 2.034 -2.519 1.751 1.00 0.00 H new ATOM 0 H21 DG A 12 4.882 -3.483 3.500 1.00 0.00 H new ATOM 0 H22 DG A 12 4.180 -2.924 1.978 1.00 0.00 H new ATOM 389 P DG A 13 2.970 -1.694 11.410 1.00 0.00 P ATOM 390 OP1 DG A 13 3.670 -1.827 12.707 1.00 0.00 O ATOM 391 OP2 DG A 13 1.770 -0.833 11.304 1.00 0.00 O ATOM 392 O5' DG A 13 4.039 -1.210 10.307 1.00 0.00 O ATOM 393 C5' DG A 13 5.254 -1.940 10.113 1.00 0.00 C ATOM 394 C4' DG A 13 6.007 -1.480 8.868 1.00 0.00 C ATOM 395 O4' DG A 13 5.187 -1.584 7.724 1.00 0.00 O ATOM 396 C3' DG A 13 6.475 -0.032 8.917 1.00 0.00 C ATOM 397 O3' DG A 13 7.810 0.018 9.422 1.00 0.00 O ATOM 398 C2' DG A 13 6.460 0.421 7.457 1.00 0.00 C ATOM 399 C1' DG A 13 5.610 -0.634 6.743 1.00 0.00 C ATOM 400 N9 DG A 13 4.405 -0.093 6.086 1.00 0.00 N ATOM 401 C8 DG A 13 3.156 0.108 6.600 1.00 0.00 C ATOM 402 N7 DG A 13 2.291 0.611 5.770 1.00 0.00 N ATOM 403 C5 DG A 13 3.028 0.759 4.595 1.00 0.00 C ATOM 404 C6 DG A 13 2.630 1.263 3.326 1.00 0.00 C ATOM 405 O6 DG A 13 1.528 1.690 2.986 1.00 0.00 O ATOM 406 N1 DG A 13 3.680 1.238 2.417 1.00 0.00 N ATOM 407 C2 DG A 13 4.953 0.785 2.690 1.00 0.00 C ATOM 408 N2 DG A 13 5.828 0.834 1.685 1.00 0.00 N ATOM 409 N3 DG A 13 5.331 0.313 3.881 1.00 0.00 N ATOM 410 C4 DG A 13 4.323 0.329 4.782 1.00 0.00 C ATOM 0 H5' DG A 13 5.028 -3.003 10.028 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.893 -1.819 10.988 1.00 0.00 H new ATOM 0 H4' DG A 13 6.878 -2.134 8.825 1.00 0.00 H new ATOM 0 H3' DG A 13 5.852 0.593 9.556 1.00 0.00 H new ATOM 0 H2' DG A 13 6.028 1.416 7.354 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.468 0.466 7.044 1.00 0.00 H new ATOM 0 H1' DG A 13 6.229 -1.068 5.958 1.00 0.00 H new ATOM 0 H8 DG A 13 2.905 -0.133 7.622 1.00 0.00 H new ATOM 0 H1 DG A 13 3.495 1.581 1.475 1.00 0.00 H new ATOM 0 H21 DG A 13 6.786 0.513 1.826 1.00 0.00 H new ATOM 0 H22 DG A 13 5.540 1.193 0.775 1.00 0.00 H new ATOM 422 P DG A 14 8.333 1.323 10.205 1.00 0.00 P ATOM 423 OP1 DG A 14 9.627 0.995 10.844 1.00 0.00 O ATOM 424 OP2 DG A 14 7.216 1.845 11.026 1.00 0.00 O ATOM 425 O5' DG A 14 8.611 2.363 9.008 1.00 0.00 O ATOM 426 C5' DG A 14 9.527 2.035 7.956 1.00 0.00 C ATOM 427 C4' DG A 14 9.240 2.833 6.687 1.00 0.00 C ATOM 428 O4' DG A 14 7.832 2.733 6.407 1.00 0.00 O ATOM 429 C3' DG A 14 9.595 4.313 6.801 1.00 0.00 C ATOM 430 O3' DG A 14 10.398 4.682 5.676 1.00 0.00 O ATOM 431 C2' DG A 14 8.276 5.074 6.746 1.00 0.00 C ATOM 432 C1' DG A 14 7.208 4.011 6.532 1.00 0.00 C ATOM 433 N9 DG A 14 6.235 3.921 7.633 1.00 0.00 N ATOM 434 C8 DG A 14 6.455 3.704 8.962 1.00 0.00 C ATOM 435 N7 DG A 14 5.388 3.671 9.700 1.00 0.00 N ATOM 436 C5 DG A 14 4.361 3.885 8.782 1.00 0.00 C ATOM 437 C6 DG A 14 2.957 3.956 8.987 1.00 0.00 C ATOM 438 O6 DG A 14 2.334 3.849 10.040 1.00 0.00 O ATOM 439 N1 DG A 14 2.280 4.183 7.795 1.00 0.00 N ATOM 440 C2 DG A 14 2.878 4.324 6.559 1.00 0.00 C ATOM 441 N2 DG A 14 2.060 4.528 5.527 1.00 0.00 N ATOM 442 N3 DG A 14 4.197 4.259 6.364 1.00 0.00 N ATOM 443 C4 DG A 14 4.873 4.039 7.514 1.00 0.00 C ATOM 0 H5' DG A 14 9.463 0.969 7.738 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.547 2.232 8.287 1.00 0.00 H new ATOM 0 H4' DG A 14 9.861 2.413 5.895 1.00 0.00 H new ATOM 0 H3' DG A 14 10.144 4.530 7.718 1.00 0.00 H new ATOM 0 H2' DG A 14 8.102 5.626 7.669 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.275 5.802 5.934 1.00 0.00 H new ATOM 0 H1' DG A 14 6.670 4.301 5.630 1.00 0.00 H new ATOM 0 H8 DG A 14 7.446 3.569 9.370 1.00 0.00 H new ATOM 0 H1 DG A 14 1.263 4.251 7.837 1.00 0.00 H new ATOM 0 H21 DG A 14 2.442 4.640 4.588 1.00 0.00 H new ATOM 0 H22 DG A 14 1.052 4.572 5.676 1.00 0.00 H new ATOM 455 P DC A 15 11.986 4.893 5.828 1.00 0.00 P ATOM 456 OP1 DC A 15 12.250 5.507 7.148 1.00 0.00 O ATOM 457 OP2 DC A 15 12.485 5.545 4.597 1.00 0.00 O ATOM 458 O5' DC A 15 12.538 3.382 5.854 1.00 0.00 O ATOM 459 C5' DC A 15 13.037 2.778 4.658 1.00 0.00 C ATOM 460 C4' DC A 15 13.702 1.436 4.943 1.00 0.00 C ATOM 461 O4' DC A 15 14.802 1.632 5.840 1.00 0.00 O ATOM 462 C3' DC A 15 12.775 0.415 5.588 1.00 0.00 C ATOM 463 O3' DC A 15 13.153 -0.904 5.181 1.00 0.00 O ATOM 464 C2' DC A 15 13.051 0.585 7.070 1.00 0.00 C ATOM 465 C1' DC A 15 14.522 0.982 7.087 1.00 0.00 C ATOM 466 N1 DC A 15 14.889 1.911 8.171 1.00 0.00 N ATOM 467 C2 DC A 15 15.263 1.355 9.383 1.00 0.00 C ATOM 468 O2 DC A 15 15.270 0.134 9.522 1.00 0.00 O ATOM 469 N3 DC A 15 15.615 2.190 10.397 1.00 0.00 N ATOM 470 C4 DC A 15 15.600 3.519 10.229 1.00 0.00 C ATOM 471 N4 DC A 15 15.953 4.307 11.246 1.00 0.00 N ATOM 472 C5 DC A 15 15.215 4.099 8.981 1.00 0.00 C ATOM 473 C6 DC A 15 14.869 3.263 7.983 1.00 0.00 C ATOM 0 H5' DC A 15 13.755 3.447 4.184 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.219 2.637 3.952 1.00 0.00 H new ATOM 0 H4' DC A 15 14.014 1.047 3.974 1.00 0.00 H new ATOM 0 H3' DC A 15 11.727 0.553 5.321 1.00 0.00 H new ATOM 0 H2' DC A 15 12.418 1.353 7.515 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.873 -0.336 7.624 1.00 0.00 H new ATOM 0 H1' DC A 15 15.099 0.071 7.248 1.00 0.00 H new ATOM 0 H41 DC A 15 15.946 5.321 11.132 1.00 0.00 H new ATOM 0 H42 DC A 15 16.230 3.896 12.137 1.00 0.00 H new ATOM 0 H5 DC A 15 15.202 5.170 8.843 1.00 0.00 H new ATOM 0 H6 DC A 15 14.573 3.666 7.026 1.00 0.00 H new ATOM 485 P DG A 16 12.541 -1.554 3.844 1.00 0.00 P ATOM 486 OP1 DG A 16 12.901 -2.990 3.823 1.00 0.00 O ATOM 487 OP2 DG A 16 12.903 -0.687 2.700 1.00 0.00 O ATOM 488 O5' DG A 16 10.952 -1.435 4.089 1.00 0.00 O ATOM 489 C5' DG A 16 10.353 -1.982 5.269 1.00 0.00 C ATOM 490 C4' DG A 16 8.837 -1.816 5.262 1.00 0.00 C ATOM 491 O4' DG A 16 8.539 -0.417 5.175 1.00 0.00 O ATOM 492 C3' DG A 16 8.151 -2.520 4.100 1.00 0.00 C ATOM 493 O3' DG A 16 6.995 -3.215 4.584 1.00 0.00 O ATOM 494 C2' DG A 16 7.717 -1.412 3.146 1.00 0.00 C ATOM 495 C1' DG A 16 7.982 -0.109 3.896 1.00 0.00 C ATOM 496 N9 DG A 16 8.926 0.790 3.209 1.00 0.00 N ATOM 497 C8 DG A 16 10.120 0.493 2.617 1.00 0.00 C ATOM 498 N7 DG A 16 10.733 1.500 2.073 1.00 0.00 N ATOM 499 C5 DG A 16 9.873 2.569 2.320 1.00 0.00 C ATOM 500 C6 DG A 16 10.000 3.940 1.967 1.00 0.00 C ATOM 501 O6 DG A 16 10.910 4.488 1.349 1.00 0.00 O ATOM 502 N1 DG A 16 8.913 4.681 2.412 1.00 0.00 N ATOM 503 C2 DG A 16 7.837 4.173 3.110 1.00 0.00 C ATOM 504 N2 DG A 16 6.893 5.047 3.461 1.00 0.00 N ATOM 505 N3 DG A 16 7.714 2.884 3.442 1.00 0.00 N ATOM 506 C4 DG A 16 8.765 2.143 3.017 1.00 0.00 C ATOM 0 H5' DG A 16 10.769 -1.491 6.149 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.603 -3.040 5.347 1.00 0.00 H new ATOM 0 H4' DG A 16 8.462 -2.269 6.179 1.00 0.00 H new ATOM 0 H3' DG A 16 8.807 -3.241 3.613 1.00 0.00 H new ATOM 0 H2' DG A 16 8.281 -1.452 2.214 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.663 -1.508 2.885 1.00 0.00 H new ATOM 0 H1' DG A 16 7.023 0.405 3.966 1.00 0.00 H new ATOM 0 H8 DG A 16 10.525 -0.508 2.602 1.00 0.00 H new ATOM 0 H1 DG A 16 8.910 5.680 2.206 1.00 0.00 H new ATOM 0 H21 DG A 16 6.073 4.731 3.979 1.00 0.00 H new ATOM 0 H22 DG A 16 6.991 6.031 3.212 1.00 0.00 H new ATOM 518 P DG A 17 7.045 -4.802 4.858 1.00 0.00 P ATOM 519 OP1 DG A 17 5.756 -5.209 5.457 1.00 0.00 O ATOM 520 OP2 DG A 17 8.316 -5.114 5.556 1.00 0.00 O ATOM 521 O5' DG A 17 7.116 -5.411 3.367 1.00 0.00 O ATOM 522 C5' DG A 17 7.816 -6.630 3.116 1.00 0.00 C ATOM 523 C4' DG A 17 8.289 -6.723 1.667 1.00 0.00 C ATOM 524 O4' DG A 17 7.269 -7.327 0.844 1.00 0.00 O ATOM 525 C3' DG A 17 8.649 -5.380 1.034 1.00 0.00 C ATOM 526 O3' DG A 17 10.076 -5.237 1.020 1.00 0.00 O ATOM 527 C2' DG A 17 8.125 -5.446 -0.403 1.00 0.00 C ATOM 528 C1' DG A 17 7.352 -6.767 -0.465 1.00 0.00 C ATOM 529 N9 DG A 17 5.981 -6.617 -0.974 1.00 0.00 N ATOM 530 C8 DG A 17 5.569 -6.447 -2.260 1.00 0.00 C ATOM 531 N7 DG A 17 4.287 -6.335 -2.421 1.00 0.00 N ATOM 532 C5 DG A 17 3.793 -6.439 -1.121 1.00 0.00 C ATOM 533 C6 DG A 17 2.453 -6.391 -0.649 1.00 0.00 C ATOM 534 O6 DG A 17 1.421 -6.245 -1.300 1.00 0.00 O ATOM 535 N1 DG A 17 2.393 -6.534 0.730 1.00 0.00 N ATOM 536 C2 DG A 17 3.483 -6.703 1.558 1.00 0.00 C ATOM 537 N2 DG A 17 3.223 -6.815 2.859 1.00 0.00 N ATOM 538 N3 DG A 17 4.746 -6.751 1.118 1.00 0.00 N ATOM 539 C4 DG A 17 4.825 -6.613 -0.226 1.00 0.00 C ATOM 0 H5' DG A 17 7.166 -7.476 3.341 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.674 -6.701 3.784 1.00 0.00 H new ATOM 0 H4' DG A 17 9.195 -7.328 1.708 1.00 0.00 H new ATOM 0 H3' DG A 17 8.222 -4.539 1.580 1.00 0.00 H new ATOM 0 H2' DG A 17 7.480 -4.597 -0.630 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.941 -5.429 -1.125 1.00 0.00 H new ATOM 0 H1' DG A 17 7.899 -7.411 -1.154 1.00 0.00 H new ATOM 0 H8 DG A 17 6.261 -6.408 -3.088 1.00 0.00 H new ATOM 0 H1 DG A 17 1.471 -6.512 1.165 1.00 0.00 H new ATOM 0 H21 DG A 17 3.987 -6.942 3.523 1.00 0.00 H new ATOM 0 H22 DG A 17 2.260 -6.774 3.192 1.00 0.00 H new ATOM 551 P DG A 18 10.760 -3.843 1.446 1.00 0.00 P ATOM 552 OP1 DG A 18 12.227 -3.985 1.307 1.00 0.00 O ATOM 553 OP2 DG A 18 10.179 -3.425 2.742 1.00 0.00 O ATOM 554 O5' DG A 18 10.238 -2.840 0.296 1.00 0.00 O ATOM 555 C5' DG A 18 10.682 -3.005 -1.055 1.00 0.00 C ATOM 556 C4' DG A 18 9.726 -2.363 -2.057 1.00 0.00 C ATOM 557 O4' DG A 18 8.452 -2.975 -1.964 1.00 0.00 O ATOM 558 C3' DG A 18 9.504 -0.884 -1.840 1.00 0.00 C ATOM 559 O3' DG A 18 10.488 -0.139 -2.556 1.00 0.00 O ATOM 560 C2' DG A 18 8.127 -0.651 -2.451 1.00 0.00 C ATOM 561 C1' DG A 18 7.482 -2.037 -2.460 1.00 0.00 C ATOM 562 N9 DG A 18 6.273 -2.129 -1.618 1.00 0.00 N ATOM 563 C8 DG A 18 6.166 -2.407 -0.285 1.00 0.00 C ATOM 564 N7 DG A 18 4.954 -2.384 0.188 1.00 0.00 N ATOM 565 C5 DG A 18 4.181 -2.063 -0.928 1.00 0.00 C ATOM 566 C6 DG A 18 2.774 -1.893 -1.045 1.00 0.00 C ATOM 567 O6 DG A 18 1.917 -1.992 -0.170 1.00 0.00 O ATOM 568 N1 DG A 18 2.407 -1.577 -2.347 1.00 0.00 N ATOM 569 C2 DG A 18 3.282 -1.440 -3.406 1.00 0.00 C ATOM 570 N2 DG A 18 2.744 -1.138 -4.587 1.00 0.00 N ATOM 571 N3 DG A 18 4.605 -1.597 -3.298 1.00 0.00 N ATOM 572 C4 DG A 18 4.982 -1.907 -2.036 1.00 0.00 C ATOM 0 H5' DG A 18 10.779 -4.068 -1.277 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.673 -2.565 -1.167 1.00 0.00 H new ATOM 0 H4' DG A 18 10.198 -2.505 -3.029 1.00 0.00 H new ATOM 0 H3' DG A 18 9.571 -0.581 -0.795 1.00 0.00 H new ATOM 0 H2' DG A 18 7.544 0.056 -1.861 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.202 -0.240 -3.458 1.00 0.00 H new ATOM 0 H1' DG A 18 7.174 -2.250 -3.484 1.00 0.00 H new ATOM 0 H8 DG A 18 7.024 -2.630 0.331 1.00 0.00 H new ATOM 0 H1 DG A 18 1.415 -1.435 -2.535 1.00 0.00 H new ATOM 0 H21 DG A 18 3.342 -1.024 -5.406 1.00 0.00 H new ATOM 0 H22 DG A 18 1.734 -1.021 -4.672 1.00 0.00 H new ATOM 584 P DG A 19 10.743 1.407 -2.202 1.00 0.00 P ATOM 585 OP1 DG A 19 12.000 1.832 -2.857 1.00 0.00 O ATOM 586 OP2 DG A 19 10.582 1.573 -0.740 1.00 0.00 O ATOM 587 O5' DG A 19 9.510 2.141 -2.939 1.00 0.00 O ATOM 588 C5' DG A 19 9.420 2.140 -4.368 1.00 0.00 C ATOM 589 C4' DG A 19 8.085 2.693 -4.865 1.00 0.00 C ATOM 590 O4' DG A 19 7.013 1.914 -4.360 1.00 0.00 O ATOM 591 C3' DG A 19 7.805 4.119 -4.444 1.00 0.00 C ATOM 592 O3' DG A 19 8.365 5.033 -5.392 1.00 0.00 O ATOM 593 C2' DG A 19 6.284 4.192 -4.492 1.00 0.00 C ATOM 594 C1' DG A 19 5.837 2.740 -4.313 1.00 0.00 C ATOM 595 N9 DG A 19 5.148 2.492 -3.032 1.00 0.00 N ATOM 596 C8 DG A 19 5.673 2.153 -1.819 1.00 0.00 C ATOM 597 N7 DG A 19 4.809 2.030 -0.857 1.00 0.00 N ATOM 598 C5 DG A 19 3.595 2.312 -1.482 1.00 0.00 C ATOM 599 C6 DG A 19 2.278 2.339 -0.945 1.00 0.00 C ATOM 600 O6 DG A 19 1.920 2.119 0.210 1.00 0.00 O ATOM 601 N1 DG A 19 1.340 2.666 -1.916 1.00 0.00 N ATOM 602 C2 DG A 19 1.629 2.935 -3.238 1.00 0.00 C ATOM 603 N2 DG A 19 0.593 3.224 -4.025 1.00 0.00 N ATOM 604 N3 DG A 19 2.865 2.913 -3.744 1.00 0.00 N ATOM 605 C4 DG A 19 3.794 2.595 -2.813 1.00 0.00 C ATOM 0 H5' DG A 19 9.550 1.123 -4.737 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.234 2.735 -4.782 1.00 0.00 H new ATOM 0 H4' DG A 19 8.161 2.658 -5.952 1.00 0.00 H new ATOM 0 H3' DG A 19 8.227 4.375 -3.472 1.00 0.00 H new ATOM 0 H2' DG A 19 5.890 4.831 -3.702 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.934 4.603 -5.439 1.00 0.00 H new ATOM 0 H1' DG A 19 5.126 2.512 -5.107 1.00 0.00 H new ATOM 0 H8 DG A 19 6.731 1.998 -1.670 1.00 0.00 H new ATOM 0 H1 DG A 19 0.362 2.711 -1.630 1.00 0.00 H new ATOM 0 H21 DG A 19 0.745 3.432 -5.012 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.352 3.237 -3.640 1.00 0.00 H new ATOM 617 P DT A 20 8.858 6.486 -4.908 1.00 0.00 P ATOM 618 OP1 DT A 20 9.426 7.202 -6.074 1.00 0.00 O ATOM 619 OP2 DT A 20 9.667 6.309 -3.684 1.00 0.00 O ATOM 620 O5' DT A 20 7.478 7.204 -4.499 1.00 0.00 O ATOM 621 C5' DT A 20 6.485 7.463 -5.491 1.00 0.00 C ATOM 622 C4' DT A 20 5.145 7.857 -4.871 1.00 0.00 C ATOM 623 O4' DT A 20 4.776 6.910 -3.847 1.00 0.00 O ATOM 624 C3' DT A 20 5.143 9.222 -4.196 1.00 0.00 C ATOM 625 O3' DT A 20 4.886 10.286 -5.122 1.00 0.00 O ATOM 626 C2' DT A 20 4.009 9.056 -3.197 1.00 0.00 C ATOM 627 C1' DT A 20 4.260 7.636 -2.721 1.00 0.00 C ATOM 628 N1 DT A 20 5.257 7.552 -1.644 1.00 0.00 N ATOM 629 C2 DT A 20 4.810 7.729 -0.351 1.00 0.00 C ATOM 630 O2 DT A 20 3.622 7.903 -0.089 1.00 0.00 O ATOM 631 N3 DT A 20 5.777 7.694 0.633 1.00 0.00 N ATOM 632 C4 DT A 20 7.134 7.500 0.434 1.00 0.00 C ATOM 633 O4 DT A 20 7.912 7.495 1.384 1.00 0.00 O ATOM 634 C5 DT A 20 7.505 7.321 -0.953 1.00 0.00 C ATOM 635 C7 DT A 20 8.970 7.108 -1.318 1.00 0.00 C ATOM 636 C6 DT A 20 6.578 7.351 -1.928 1.00 0.00 C ATOM 0 H5' DT A 20 6.351 6.576 -6.110 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.829 8.262 -6.148 1.00 0.00 H new ATOM 0 H4' DT A 20 4.449 7.877 -5.710 1.00 0.00 H new ATOM 0 H3' DT A 20 6.099 9.495 -3.749 1.00 0.00 H new ATOM 0 H2' DT A 20 4.064 9.781 -2.385 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.029 9.170 -3.660 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.892 11.143 -4.646 1.00 0.00 H new ATOM 0 H1' DT A 20 3.324 7.237 -2.329 1.00 0.00 H new ATOM 0 H3 DT A 20 5.464 7.823 1.595 1.00 0.00 H new ATOM 0 H71 DT A 20 9.604 7.621 -0.594 1.00 0.00 H new ATOM 0 H72 DT A 20 9.196 6.042 -1.307 1.00 0.00 H new ATOM 0 H73 DT A 20 9.159 7.509 -2.314 1.00 0.00 H new ATOM 0 H6 DT A 20 6.884 7.214 -2.955 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.515 5.648 0.773 1.00 0.00 C HETATM 652 C2 BER A 101 -1.829 5.829 0.357 1.00 0.00 C HETATM 653 N1 BER A 101 -0.254 5.496 2.079 1.00 0.00 N HETATM 654 C3 BER A 101 0.509 5.620 -0.167 1.00 0.00 C HETATM 655 C4 BER A 101 -2.853 5.900 1.290 1.00 0.00 C HETATM 656 C5 BER A 101 -2.137 6.028 -0.983 1.00 0.00 C HETATM 657 C6 BER A 101 1.063 5.290 2.514 1.00 0.00 C HETATM 658 C7 BER A 101 -1.357 5.167 3.012 1.00 0.00 C HETATM 659 C8 BER A 101 1.821 5.416 0.239 1.00 0.00 C HETATM 660 C9 BER A 101 -4.133 6.180 0.828 1.00 0.00 C HETATM 661 C10 BER A 101 -2.556 6.045 2.641 1.00 0.00 C HETATM 662 C11 BER A 101 -3.381 6.312 -1.360 1.00 0.00 C HETATM 663 C12 BER A 101 2.100 5.235 1.589 1.00 0.00 C HETATM 664 C13 BER A 101 2.823 5.263 -0.712 1.00 0.00 C HETATM 665 C14 BER A 101 -4.363 6.392 -0.466 1.00 0.00 C HETATM 666 O1 BER A 101 -3.840 6.586 -2.610 1.00 0.00 O HETATM 667 C15 BER A 101 3.393 4.926 1.995 1.00 0.00 C HETATM 668 C16 BER A 101 4.118 4.958 -0.313 1.00 0.00 C HETATM 669 O2 BER A 101 -5.538 6.713 -1.071 1.00 0.00 O HETATM 670 C17 BER A 101 -5.270 6.590 -2.476 1.00 0.00 C HETATM 671 C18 BER A 101 4.395 4.799 1.039 1.00 0.00 C HETATM 672 O3 BER A 101 3.676 4.737 3.312 1.00 0.00 O HETATM 673 O4 BER A 101 5.660 4.596 1.498 1.00 0.00 O HETATM 674 C19 BER A 101 3.966 5.993 3.929 1.00 0.00 C HETATM 675 C20 BER A 101 6.560 4.498 0.392 1.00 0.00 C HETATM 0 H203 BER A 101 6.266 3.662 -0.243 1.00 0.00 H new HETATM 0 H202 BER A 101 6.528 5.422 -0.186 1.00 0.00 H new HETATM 0 H201 BER A 101 7.573 4.335 0.760 1.00 0.00 H new HETATM 0 H193 BER A 101 4.825 6.450 3.438 1.00 0.00 H new HETATM 0 H192 BER A 101 3.102 6.652 3.837 1.00 0.00 H new HETATM 0 H191 BER A 101 4.192 5.837 4.984 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.711 7.418 -3.031 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.701 5.673 -2.876 1.00 0.00 H new HETATM 0 H161 BER A 101 4.910 4.844 -1.054 1.00 0.00 H new HETATM 0 H131 BER A 101 2.593 5.382 -1.771 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.335 7.089 2.863 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.421 5.767 3.244 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.961 6.227 1.535 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.618 4.111 2.939 1.00 0.00 H new HETATM 0 H71 BER A 101 -1.054 5.349 4.043 1.00 0.00 H new HETATM 0 H61 BER A 101 1.274 5.173 3.577 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.351 5.951 -1.734 1.00 0.00 H new HETATM 0 H31 BER A 101 0.282 5.758 -1.224 1.00 0.00 H new