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 52:sc= 0.826 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.31! (180deg=-7.52!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.274 -3.609 -7.396 1.00 0.00 O ATOM 2 C5' DG A 1 3.353 -3.572 -8.820 1.00 0.00 C ATOM 3 C4' DG A 1 2.005 -3.223 -9.451 1.00 0.00 C ATOM 4 O4' DG A 1 1.018 -4.173 -9.044 1.00 0.00 O ATOM 5 C3' DG A 1 1.467 -1.860 -9.061 1.00 0.00 C ATOM 6 O3' DG A 1 1.968 -0.859 -9.953 1.00 0.00 O ATOM 7 C2' DG A 1 -0.034 -2.021 -9.251 1.00 0.00 C ATOM 8 C1' DG A 1 -0.257 -3.512 -8.996 1.00 0.00 C ATOM 9 N9 DG A 1 -0.870 -3.796 -7.684 1.00 0.00 N ATOM 10 C8 DG A 1 -2.178 -3.682 -7.306 1.00 0.00 C ATOM 11 N7 DG A 1 -2.422 -3.978 -6.065 1.00 0.00 N ATOM 12 C5 DG A 1 -1.168 -4.322 -5.566 1.00 0.00 C ATOM 13 C6 DG A 1 -0.791 -4.741 -4.260 1.00 0.00 C ATOM 14 O6 DG A 1 -1.505 -4.884 -3.270 1.00 0.00 O ATOM 15 N1 DG A 1 0.572 -4.993 -4.179 1.00 0.00 N ATOM 16 C2 DG A 1 1.466 -4.861 -5.221 1.00 0.00 C ATOM 17 N2 DG A 1 2.737 -5.153 -4.948 1.00 0.00 N ATOM 18 N3 DG A 1 1.116 -4.466 -6.452 1.00 0.00 N ATOM 19 C4 DG A 1 -0.210 -4.216 -6.551 1.00 0.00 C ATOM 0 H5' DG A 1 3.689 -4.540 -9.191 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.099 -2.837 -9.124 1.00 0.00 H new ATOM 0 H4' DG A 1 2.189 -3.230 -10.525 1.00 0.00 H new ATOM 0 H3' DG A 1 1.749 -1.554 -8.054 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.598 -1.404 -8.551 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.347 -1.732 -10.254 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.534 -4.191 -7.124 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.944 -3.871 -9.762 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.953 -3.368 -7.990 1.00 0.00 H new ATOM 0 H1 DG A 1 0.941 -5.300 -3.279 1.00 0.00 H new ATOM 0 H21 DG A 1 3.446 -5.075 -5.677 1.00 0.00 H new ATOM 0 H22 DG A 1 3.001 -5.455 -4.010 1.00 0.00 H new ATOM 32 P DG A 2 2.192 0.648 -9.434 1.00 0.00 P ATOM 33 OP1 DG A 2 2.712 1.456 -10.560 1.00 0.00 O ATOM 34 OP2 DG A 2 2.943 0.587 -8.161 1.00 0.00 O ATOM 35 O5' DG A 2 0.690 1.135 -9.111 1.00 0.00 O ATOM 36 C5' DG A 2 -0.265 1.281 -10.166 1.00 0.00 C ATOM 37 C4' DG A 2 -1.693 1.396 -9.629 1.00 0.00 C ATOM 38 O4' DG A 2 -2.047 0.217 -8.913 1.00 0.00 O ATOM 39 C3' DG A 2 -1.909 2.565 -8.679 1.00 0.00 C ATOM 40 O3' DG A 2 -2.325 3.721 -9.409 1.00 0.00 O ATOM 41 C2' DG A 2 -3.035 2.080 -7.788 1.00 0.00 C ATOM 42 C1' DG A 2 -2.767 0.580 -7.724 1.00 0.00 C ATOM 43 N9 DG A 2 -1.947 0.177 -6.564 1.00 0.00 N ATOM 44 C8 DG A 2 -0.587 0.101 -6.457 1.00 0.00 C ATOM 45 N7 DG A 2 -0.144 -0.257 -5.287 1.00 0.00 N ATOM 46 C5 DG A 2 -1.311 -0.437 -4.546 1.00 0.00 C ATOM 47 C6 DG A 2 -1.479 -0.831 -3.189 1.00 0.00 C ATOM 48 O6 DG A 2 -0.611 -1.093 -2.358 1.00 0.00 O ATOM 49 N1 DG A 2 -2.821 -0.893 -2.838 1.00 0.00 N ATOM 50 C2 DG A 2 -3.875 -0.613 -3.684 1.00 0.00 C ATOM 51 N2 DG A 2 -5.098 -0.732 -3.166 1.00 0.00 N ATOM 52 N3 DG A 2 -3.722 -0.242 -4.958 1.00 0.00 N ATOM 53 C4 DG A 2 -2.420 -0.175 -5.321 1.00 0.00 C ATOM 0 H5' DG A 2 -0.197 0.426 -10.838 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.025 2.167 -10.753 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.312 1.550 -10.513 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.011 2.846 -8.128 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.002 2.542 -6.802 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.015 2.302 -8.212 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.731 0.079 -7.632 1.00 0.00 H new ATOM 0 H8 DG A 2 0.072 0.322 -7.283 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.045 -1.167 -1.881 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.917 -0.538 -3.742 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.214 -1.017 -2.193 1.00 0.00 H new ATOM 65 P DG A 3 -2.232 5.176 -8.728 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.338 6.195 -9.797 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.070 5.184 -7.812 1.00 0.00 O ATOM 68 O5' DG A 3 -3.576 5.231 -7.844 1.00 0.00 O ATOM 69 C5' DG A 3 -4.854 5.070 -8.463 1.00 0.00 C ATOM 70 C4' DG A 3 -5.985 5.093 -7.438 1.00 0.00 C ATOM 71 O4' DG A 3 -5.673 4.172 -6.379 1.00 0.00 O ATOM 72 C3' DG A 3 -6.211 6.462 -6.803 1.00 0.00 C ATOM 73 O3' DG A 3 -7.615 6.695 -6.656 1.00 0.00 O ATOM 74 C2' DG A 3 -5.563 6.363 -5.429 1.00 0.00 C ATOM 75 C1' DG A 3 -5.582 4.868 -5.131 1.00 0.00 C ATOM 76 N9 DG A 3 -4.375 4.376 -4.438 1.00 0.00 N ATOM 77 C8 DG A 3 -3.092 4.288 -4.899 1.00 0.00 C ATOM 78 N7 DG A 3 -2.230 3.820 -4.048 1.00 0.00 N ATOM 79 C5 DG A 3 -3.002 3.572 -2.915 1.00 0.00 C ATOM 80 C6 DG A 3 -2.618 3.051 -1.650 1.00 0.00 C ATOM 81 O6 DG A 3 -1.500 2.703 -1.276 1.00 0.00 O ATOM 82 N1 DG A 3 -3.703 2.957 -0.789 1.00 0.00 N ATOM 83 C2 DG A 3 -4.997 3.318 -1.102 1.00 0.00 C ATOM 84 N2 DG A 3 -5.906 3.151 -0.140 1.00 0.00 N ATOM 85 N3 DG A 3 -5.362 3.809 -2.291 1.00 0.00 N ATOM 86 C4 DG A 3 -4.317 3.908 -3.145 1.00 0.00 C ATOM 0 H5' DG A 3 -4.877 4.127 -9.010 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.008 5.865 -9.192 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.893 4.822 -7.977 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.797 7.274 -7.401 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.547 6.758 -5.435 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.120 6.928 -4.681 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.430 4.690 -4.470 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.815 4.586 -5.899 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.530 2.593 0.148 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.880 3.400 -0.310 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.627 2.775 0.766 1.00 0.00 H new ATOM 98 P DG A 4 -8.420 7.548 -7.758 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.611 8.737 -8.104 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.813 7.714 -7.288 1.00 0.00 O ATOM 101 O5' DG A 4 -8.434 6.558 -9.028 1.00 0.00 O ATOM 102 C5' DG A 4 -9.588 6.473 -9.868 1.00 0.00 C ATOM 103 C4' DG A 4 -9.285 5.728 -11.166 1.00 0.00 C ATOM 104 O4' DG A 4 -8.364 6.506 -11.930 1.00 0.00 O ATOM 105 C3' DG A 4 -8.673 4.352 -10.952 1.00 0.00 C ATOM 106 O3' DG A 4 -9.170 3.449 -11.946 1.00 0.00 O ATOM 107 C2' DG A 4 -7.180 4.569 -11.153 1.00 0.00 C ATOM 108 C1' DG A 4 -7.095 5.841 -11.993 1.00 0.00 C ATOM 109 N9 DG A 4 -6.072 6.796 -11.530 1.00 0.00 N ATOM 110 C8 DG A 4 -6.185 7.800 -10.610 1.00 0.00 C ATOM 111 N7 DG A 4 -5.102 8.486 -10.407 1.00 0.00 N ATOM 112 C5 DG A 4 -4.181 7.890 -11.266 1.00 0.00 C ATOM 113 C6 DG A 4 -2.814 8.204 -11.495 1.00 0.00 C ATOM 114 O6 DG A 4 -2.137 9.086 -10.972 1.00 0.00 O ATOM 115 N1 DG A 4 -2.250 7.360 -12.442 1.00 0.00 N ATOM 116 C2 DG A 4 -2.914 6.339 -13.091 1.00 0.00 C ATOM 117 N2 DG A 4 -2.204 5.634 -13.971 1.00 0.00 N ATOM 118 N3 DG A 4 -4.200 6.041 -12.877 1.00 0.00 N ATOM 119 C4 DG A 4 -4.768 6.854 -11.957 1.00 0.00 C ATOM 0 H5' DG A 4 -9.945 7.477 -10.099 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.390 5.964 -9.334 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.237 5.584 -11.677 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.907 3.931 -9.974 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.663 4.686 -10.201 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.720 3.723 -11.664 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.821 5.532 -13.002 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.108 8.008 -10.090 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.268 7.506 -12.676 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.641 4.867 -14.481 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.223 5.862 -14.134 1.00 0.00 H new ATOM 131 P DC A 5 -9.995 2.133 -11.516 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.611 1.555 -12.731 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.844 2.480 -10.354 1.00 0.00 O ATOM 134 O5' DC A 5 -8.835 1.135 -11.013 1.00 0.00 O ATOM 135 C5' DC A 5 -7.784 0.743 -11.900 1.00 0.00 C ATOM 136 C4' DC A 5 -6.901 -0.348 -11.291 1.00 0.00 C ATOM 137 O4' DC A 5 -6.284 0.127 -10.071 1.00 0.00 O ATOM 138 C3' DC A 5 -7.655 -1.632 -10.934 1.00 0.00 C ATOM 139 O3' DC A 5 -6.855 -2.771 -11.282 1.00 0.00 O ATOM 140 C2' DC A 5 -7.792 -1.554 -9.423 1.00 0.00 C ATOM 141 C1' DC A 5 -6.481 -0.874 -9.067 1.00 0.00 C ATOM 142 N1 DC A 5 -6.449 -0.215 -7.745 1.00 0.00 N ATOM 143 C2 DC A 5 -6.199 -1.018 -6.644 1.00 0.00 C ATOM 144 O2 DC A 5 -6.026 -2.225 -6.792 1.00 0.00 O ATOM 145 N3 DC A 5 -6.135 -0.432 -5.417 1.00 0.00 N ATOM 146 C4 DC A 5 -6.308 0.890 -5.275 1.00 0.00 C ATOM 147 N4 DC A 5 -6.235 1.433 -4.057 1.00 0.00 N ATOM 148 C5 DC A 5 -6.567 1.724 -6.410 1.00 0.00 C ATOM 149 C6 DC A 5 -6.629 1.132 -7.621 1.00 0.00 C ATOM 0 H5' DC A 5 -7.172 1.611 -12.144 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.213 0.383 -12.835 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.168 -0.579 -12.064 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.610 -1.728 -11.450 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.660 -0.971 -9.114 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.888 -2.538 -8.963 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.708 -1.641 -9.022 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.365 2.438 -3.938 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.049 0.843 -3.246 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.708 2.789 -6.301 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.823 1.729 -8.500 1.00 0.00 H new ATOM 161 P DG A 6 -7.546 -4.173 -11.681 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.518 -5.030 -12.315 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.803 -3.877 -12.403 1.00 0.00 O ATOM 164 O5' DG A 6 -7.921 -4.813 -10.247 1.00 0.00 O ATOM 165 C5' DG A 6 -9.024 -5.716 -10.125 1.00 0.00 C ATOM 166 C4' DG A 6 -9.166 -6.276 -8.708 1.00 0.00 C ATOM 167 O4' DG A 6 -8.052 -7.089 -8.370 1.00 0.00 O ATOM 168 C3' DG A 6 -9.249 -5.227 -7.615 1.00 0.00 C ATOM 169 O3' DG A 6 -10.603 -4.794 -7.458 1.00 0.00 O ATOM 170 C2' DG A 6 -8.806 -5.994 -6.375 1.00 0.00 C ATOM 171 C1' DG A 6 -7.946 -7.127 -6.939 1.00 0.00 C ATOM 172 N9 DG A 6 -6.525 -7.009 -6.583 1.00 0.00 N ATOM 173 C8 DG A 6 -5.518 -6.383 -7.256 1.00 0.00 C ATOM 174 N7 DG A 6 -4.357 -6.426 -6.674 1.00 0.00 N ATOM 175 C5 DG A 6 -4.613 -7.146 -5.508 1.00 0.00 C ATOM 176 C6 DG A 6 -3.733 -7.520 -4.458 1.00 0.00 C ATOM 177 O6 DG A 6 -2.533 -7.283 -4.351 1.00 0.00 O ATOM 178 N1 DG A 6 -4.395 -8.237 -3.470 1.00 0.00 N ATOM 179 C2 DG A 6 -5.736 -8.556 -3.485 1.00 0.00 C ATOM 180 N2 DG A 6 -6.189 -9.251 -2.440 1.00 0.00 N ATOM 181 N3 DG A 6 -6.567 -8.206 -4.471 1.00 0.00 N ATOM 182 C4 DG A 6 -5.939 -7.507 -5.445 1.00 0.00 C ATOM 0 H5' DG A 6 -8.895 -6.540 -10.827 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.944 -5.201 -10.403 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.105 -6.829 -8.745 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.650 -4.339 -7.817 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.238 -5.361 -5.694 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.659 -6.379 -5.816 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.311 -8.062 -6.513 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.674 -5.888 -8.203 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.846 -8.552 -2.670 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.172 -9.518 -2.392 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.552 -9.516 -1.689 1.00 0.00 H new ATOM 194 P DG A 7 -10.934 -3.284 -7.004 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.390 -3.068 -7.163 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.976 -2.375 -7.670 1.00 0.00 O ATOM 197 O5' DG A 7 -10.596 -3.307 -5.427 1.00 0.00 O ATOM 198 C5' DG A 7 -11.384 -4.106 -4.544 1.00 0.00 C ATOM 199 C4' DG A 7 -10.977 -3.944 -3.079 1.00 0.00 C ATOM 200 O4' DG A 7 -9.712 -4.555 -2.787 1.00 0.00 O ATOM 201 C3' DG A 7 -10.862 -2.495 -2.588 1.00 0.00 C ATOM 202 O3' DG A 7 -12.042 -2.152 -1.850 1.00 0.00 O ATOM 203 C2' DG A 7 -9.651 -2.521 -1.645 1.00 0.00 C ATOM 204 C1' DG A 7 -9.400 -4.016 -1.511 1.00 0.00 C ATOM 205 N9 DG A 7 -8.027 -4.412 -1.110 1.00 0.00 N ATOM 206 C8 DG A 7 -7.623 -4.868 0.112 1.00 0.00 C ATOM 207 N7 DG A 7 -6.359 -5.120 0.224 1.00 0.00 N ATOM 208 C5 DG A 7 -5.854 -4.810 -1.032 1.00 0.00 C ATOM 209 C6 DG A 7 -4.517 -4.888 -1.508 1.00 0.00 C ATOM 210 O6 DG A 7 -3.512 -5.242 -0.895 1.00 0.00 O ATOM 211 N1 DG A 7 -4.421 -4.491 -2.829 1.00 0.00 N ATOM 212 C2 DG A 7 -5.480 -4.067 -3.609 1.00 0.00 C ATOM 213 N2 DG A 7 -5.183 -3.729 -4.862 1.00 0.00 N ATOM 214 N3 DG A 7 -6.749 -3.988 -3.166 1.00 0.00 N ATOM 215 C4 DG A 7 -6.863 -4.374 -1.869 1.00 0.00 C ATOM 0 H5' DG A 7 -11.291 -5.154 -4.829 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.434 -3.837 -4.657 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.800 -4.436 -2.561 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.753 -1.773 -3.397 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.793 -1.997 -2.066 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.869 -2.054 -0.684 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.015 -4.398 -0.696 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.313 -5.009 0.931 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.497 -4.513 -3.261 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.918 -3.407 -5.491 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.220 -3.792 -5.193 1.00 0.00 H new ATOM 227 P DG A 8 -12.296 -0.646 -1.345 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.722 -0.523 -0.974 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.708 0.279 -2.339 1.00 0.00 O ATOM 230 O5' DG A 8 -11.415 -0.570 0.002 1.00 0.00 O ATOM 231 C5' DG A 8 -11.713 -1.429 1.106 1.00 0.00 C ATOM 232 C4' DG A 8 -10.569 -1.484 2.111 1.00 0.00 C ATOM 233 O4' DG A 8 -9.387 -1.983 1.508 1.00 0.00 O ATOM 234 C3' DG A 8 -10.197 -0.136 2.712 1.00 0.00 C ATOM 235 O3' DG A 8 -10.893 0.049 3.947 1.00 0.00 O ATOM 236 C2' DG A 8 -8.698 -0.247 2.983 1.00 0.00 C ATOM 237 C1' DG A 8 -8.295 -1.573 2.331 1.00 0.00 C ATOM 238 N9 DG A 8 -7.088 -1.493 1.488 1.00 0.00 N ATOM 239 C8 DG A 8 -6.971 -1.144 0.173 1.00 0.00 C ATOM 240 N7 DG A 8 -5.757 -1.154 -0.294 1.00 0.00 N ATOM 241 C5 DG A 8 -4.995 -1.545 0.807 1.00 0.00 C ATOM 242 C6 DG A 8 -3.590 -1.738 0.924 1.00 0.00 C ATOM 243 O6 DG A 8 -2.727 -1.596 0.061 1.00 0.00 O ATOM 244 N1 DG A 8 -3.237 -2.136 2.207 1.00 0.00 N ATOM 245 C2 DG A 8 -4.120 -2.325 3.251 1.00 0.00 C ATOM 246 N2 DG A 8 -3.592 -2.714 4.411 1.00 0.00 N ATOM 247 N3 DG A 8 -5.438 -2.141 3.144 1.00 0.00 N ATOM 248 C4 DG A 8 -5.804 -1.755 1.901 1.00 0.00 C ATOM 0 H5' DG A 8 -11.921 -2.434 0.738 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.617 -1.079 1.604 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.944 -2.136 2.900 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.449 0.700 2.060 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.152 0.591 2.551 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.486 -0.248 4.052 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.063 -2.275 3.132 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.824 -0.879 -0.435 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.248 -2.302 2.392 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.195 -2.870 5.219 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.585 -2.856 4.491 1.00 0.00 H new ATOM 260 P DG A 9 -10.786 1.451 4.731 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.873 1.504 5.735 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.657 2.530 3.727 1.00 0.00 O ATOM 263 O5' DG A 9 -9.383 1.315 5.512 1.00 0.00 O ATOM 264 C5' DG A 9 -9.153 0.231 6.417 1.00 0.00 C ATOM 265 C4' DG A 9 -7.683 0.141 6.836 1.00 0.00 C ATOM 266 O4' DG A 9 -6.838 0.154 5.667 1.00 0.00 O ATOM 267 C3' DG A 9 -7.206 1.312 7.713 1.00 0.00 C ATOM 268 O3' DG A 9 -6.301 0.829 8.716 1.00 0.00 O ATOM 269 C2' DG A 9 -6.420 2.166 6.738 1.00 0.00 C ATOM 270 C1' DG A 9 -5.780 1.069 5.930 1.00 0.00 C ATOM 271 N9 DG A 9 -5.153 1.482 4.665 1.00 0.00 N ATOM 272 C8 DG A 9 -5.714 1.960 3.516 1.00 0.00 C ATOM 273 N7 DG A 9 -4.865 2.246 2.571 1.00 0.00 N ATOM 274 C5 DG A 9 -3.631 1.929 3.145 1.00 0.00 C ATOM 275 C6 DG A 9 -2.317 2.025 2.609 1.00 0.00 C ATOM 276 O6 DG A 9 -1.971 2.422 1.498 1.00 0.00 O ATOM 277 N1 DG A 9 -1.360 1.599 3.527 1.00 0.00 N ATOM 278 C2 DG A 9 -1.634 1.140 4.799 1.00 0.00 C ATOM 279 N2 DG A 9 -0.588 0.770 5.538 1.00 0.00 N ATOM 280 N3 DG A 9 -2.864 1.051 5.301 1.00 0.00 N ATOM 281 C4 DG A 9 -3.807 1.461 4.424 1.00 0.00 C ATOM 0 H5' DG A 9 -9.455 -0.705 5.947 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.776 0.358 7.302 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.611 -0.783 7.409 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.023 1.832 8.213 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.057 2.815 6.137 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.689 2.806 7.233 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.947 0.658 6.500 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.780 2.091 3.400 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.383 1.629 3.237 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.731 0.423 6.486 1.00 0.00 H new ATOM 0 H22 DG A 9 0.355 0.834 5.155 1.00 0.00 H new ATOM 293 P DC A 10 -6.831 0.211 10.102 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.084 0.905 10.473 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.698 0.175 11.055 1.00 0.00 O ATOM 296 O5' DC A 10 -7.188 -1.303 9.693 1.00 0.00 O ATOM 297 C5' DC A 10 -6.144 -2.243 9.419 1.00 0.00 C ATOM 298 C4' DC A 10 -6.694 -3.657 9.275 1.00 0.00 C ATOM 299 O4' DC A 10 -7.253 -4.075 10.525 1.00 0.00 O ATOM 300 C3' DC A 10 -7.787 -3.777 8.225 1.00 0.00 C ATOM 301 O3' DC A 10 -7.736 -5.074 7.626 1.00 0.00 O ATOM 302 C2' DC A 10 -9.067 -3.631 9.030 1.00 0.00 C ATOM 303 C1' DC A 10 -8.678 -4.182 10.401 1.00 0.00 C ATOM 304 N1 DC A 10 -9.275 -3.458 11.541 1.00 0.00 N ATOM 305 C2 DC A 10 -10.521 -3.877 11.981 1.00 0.00 C ATOM 306 O2 DC A 10 -11.091 -4.809 11.419 1.00 0.00 O ATOM 307 N3 DC A 10 -11.081 -3.233 13.043 1.00 0.00 N ATOM 308 C4 DC A 10 -10.445 -2.220 13.647 1.00 0.00 C ATOM 309 N4 DC A 10 -11.023 -1.614 14.686 1.00 0.00 N ATOM 310 C5 DC A 10 -9.160 -1.784 13.196 1.00 0.00 C ATOM 311 C6 DC A 10 -8.615 -2.427 12.144 1.00 0.00 C ATOM 0 H5' DC A 10 -5.408 -2.217 10.223 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.626 -1.957 8.504 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.856 -4.281 8.965 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.699 -3.044 7.423 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.389 -2.591 9.090 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.888 -4.194 8.587 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.048 -5.206 10.444 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.549 -0.842 15.154 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.939 -1.923 15.012 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.644 -0.968 13.681 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.647 -2.123 11.775 1.00 0.00 H new ATOM 323 P DG A 11 -6.925 -5.302 6.254 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.805 -4.000 5.563 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.521 -6.461 5.551 1.00 0.00 O ATOM 326 O5' DG A 11 -5.463 -5.729 6.778 1.00 0.00 O ATOM 327 C5' DG A 11 -5.305 -6.887 7.596 1.00 0.00 C ATOM 328 C4' DG A 11 -3.839 -7.279 7.760 1.00 0.00 C ATOM 329 O4' DG A 11 -3.282 -7.747 6.524 1.00 0.00 O ATOM 330 C3' DG A 11 -2.931 -6.151 8.222 1.00 0.00 C ATOM 331 O3' DG A 11 -2.914 -6.097 9.654 1.00 0.00 O ATOM 332 C2' DG A 11 -1.556 -6.565 7.705 1.00 0.00 C ATOM 333 C1' DG A 11 -1.862 -7.643 6.658 1.00 0.00 C ATOM 334 N9 DG A 11 -1.289 -7.355 5.330 1.00 0.00 N ATOM 335 C8 DG A 11 0.001 -7.507 4.912 1.00 0.00 C ATOM 336 N7 DG A 11 0.230 -7.160 3.683 1.00 0.00 N ATOM 337 C5 DG A 11 -1.019 -6.737 3.234 1.00 0.00 C ATOM 338 C6 DG A 11 -1.404 -6.238 1.961 1.00 0.00 C ATOM 339 O6 DG A 11 -0.705 -6.072 0.965 1.00 0.00 O ATOM 340 N1 DG A 11 -2.755 -5.925 1.923 1.00 0.00 N ATOM 341 C2 DG A 11 -3.631 -6.071 2.979 1.00 0.00 C ATOM 342 N2 DG A 11 -4.895 -5.711 2.748 1.00 0.00 N ATOM 343 N3 DG A 11 -3.274 -6.541 4.180 1.00 0.00 N ATOM 344 C4 DG A 11 -1.958 -6.853 4.236 1.00 0.00 C ATOM 0 H5' DG A 11 -5.855 -7.719 7.156 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.742 -6.700 8.577 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.868 -8.054 8.526 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.248 -5.171 7.864 1.00 0.00 H new ATOM 0 H2' DG A 11 -1.024 -5.721 7.265 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.929 -6.954 8.507 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.407 -8.570 7.008 1.00 0.00 H new ATOM 0 H8 DG A 11 0.777 -7.889 5.559 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.129 -5.559 1.048 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.592 -5.794 3.488 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.164 -5.352 1.832 1.00 0.00 H new ATOM 356 P DG A 12 -2.717 -4.691 10.413 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.780 -4.939 11.872 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.624 -3.706 9.789 1.00 0.00 O ATOM 359 O5' DG A 12 -1.202 -4.299 10.035 1.00 0.00 O ATOM 360 C5' DG A 12 -0.112 -5.099 10.500 1.00 0.00 C ATOM 361 C4' DG A 12 1.161 -4.840 9.697 1.00 0.00 C ATOM 362 O4' DG A 12 0.939 -5.087 8.315 1.00 0.00 O ATOM 363 C3' DG A 12 1.673 -3.409 9.785 1.00 0.00 C ATOM 364 O3' DG A 12 2.603 -3.301 10.865 1.00 0.00 O ATOM 365 C2' DG A 12 2.392 -3.183 8.459 1.00 0.00 C ATOM 366 C1' DG A 12 1.804 -4.253 7.534 1.00 0.00 C ATOM 367 N9 DG A 12 1.010 -3.710 6.416 1.00 0.00 N ATOM 368 C8 DG A 12 -0.322 -3.408 6.371 1.00 0.00 C ATOM 369 N7 DG A 12 -0.742 -2.934 5.236 1.00 0.00 N ATOM 370 C5 DG A 12 0.410 -2.917 4.453 1.00 0.00 C ATOM 371 C6 DG A 12 0.589 -2.499 3.106 1.00 0.00 C ATOM 372 O6 DG A 12 -0.251 -2.047 2.330 1.00 0.00 O ATOM 373 N1 DG A 12 1.908 -2.646 2.698 1.00 0.00 N ATOM 374 C2 DG A 12 2.931 -3.135 3.484 1.00 0.00 C ATOM 375 N2 DG A 12 4.134 -3.206 2.913 1.00 0.00 N ATOM 376 N3 DG A 12 2.767 -3.526 4.751 1.00 0.00 N ATOM 377 C4 DG A 12 1.487 -3.391 5.168 1.00 0.00 C ATOM 0 H5' DG A 12 -0.379 -6.154 10.430 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.072 -4.886 11.553 1.00 0.00 H new ATOM 0 H4' DG A 12 1.898 -5.513 10.135 1.00 0.00 H new ATOM 0 H3' DG A 12 0.878 -2.684 9.959 1.00 0.00 H new ATOM 0 H2' DG A 12 2.213 -2.179 8.073 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.471 -3.296 8.565 1.00 0.00 H new ATOM 0 H1' DG A 12 2.646 -4.792 7.100 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.978 -3.553 7.217 1.00 0.00 H new ATOM 0 H1 DG A 12 2.139 -2.371 1.743 1.00 0.00 H new ATOM 0 H21 DG A 12 4.930 -3.559 3.444 1.00 0.00 H new ATOM 0 H22 DG A 12 4.258 -2.907 1.946 1.00 0.00 H new ATOM 389 P DG A 13 3.011 -1.857 11.444 1.00 0.00 P ATOM 390 OP1 DG A 13 3.716 -2.056 12.731 1.00 0.00 O ATOM 391 OP2 DG A 13 1.821 -0.979 11.384 1.00 0.00 O ATOM 392 O5' DG A 13 4.080 -1.337 10.359 1.00 0.00 O ATOM 393 C5' DG A 13 5.286 -2.070 10.128 1.00 0.00 C ATOM 394 C4' DG A 13 6.020 -1.588 8.878 1.00 0.00 C ATOM 395 O4' DG A 13 5.173 -1.628 7.751 1.00 0.00 O ATOM 396 C3' DG A 13 6.525 -0.155 8.962 1.00 0.00 C ATOM 397 O3' DG A 13 7.870 -0.152 9.444 1.00 0.00 O ATOM 398 C2' DG A 13 6.495 0.344 7.518 1.00 0.00 C ATOM 399 C1' DG A 13 5.616 -0.672 6.786 1.00 0.00 C ATOM 400 N9 DG A 13 4.423 -0.089 6.143 1.00 0.00 N ATOM 401 C8 DG A 13 3.181 0.135 6.667 1.00 0.00 C ATOM 402 N7 DG A 13 2.327 0.674 5.849 1.00 0.00 N ATOM 403 C5 DG A 13 3.063 0.825 4.674 1.00 0.00 C ATOM 404 C6 DG A 13 2.674 1.362 3.416 1.00 0.00 C ATOM 405 O6 DG A 13 1.582 1.822 3.088 1.00 0.00 O ATOM 406 N1 DG A 13 3.719 1.326 2.502 1.00 0.00 N ATOM 407 C2 DG A 13 4.982 0.837 2.762 1.00 0.00 C ATOM 408 N2 DG A 13 5.853 0.883 1.754 1.00 0.00 N ATOM 409 N3 DG A 13 5.352 0.334 3.943 1.00 0.00 N ATOM 410 C4 DG A 13 4.347 0.360 4.847 1.00 0.00 C ATOM 0 H5' DG A 13 5.052 -3.129 10.025 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.941 -1.971 10.993 1.00 0.00 H new ATOM 0 H4' DG A 13 6.869 -2.266 8.794 1.00 0.00 H new ATOM 0 H3' DG A 13 5.929 0.465 9.632 1.00 0.00 H new ATOM 0 H2' DG A 13 6.079 1.350 7.453 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.497 0.385 7.090 1.00 0.00 H new ATOM 0 H1' DG A 13 6.220 -1.105 5.989 1.00 0.00 H new ATOM 0 H8 DG A 13 2.928 -0.117 7.686 1.00 0.00 H new ATOM 0 H1 DG A 13 3.538 1.689 1.566 1.00 0.00 H new ATOM 0 H21 DG A 13 6.803 0.536 1.885 1.00 0.00 H new ATOM 0 H22 DG A 13 5.569 1.265 0.852 1.00 0.00 H new ATOM 422 P DG A 14 8.440 1.113 10.257 1.00 0.00 P ATOM 423 OP1 DG A 14 9.728 0.729 10.874 1.00 0.00 O ATOM 424 OP2 DG A 14 7.346 1.647 11.102 1.00 0.00 O ATOM 425 O5' DG A 14 8.740 2.177 9.085 1.00 0.00 O ATOM 426 C5' DG A 14 9.626 1.845 8.009 1.00 0.00 C ATOM 427 C4' DG A 14 9.358 2.699 6.773 1.00 0.00 C ATOM 428 O4' DG A 14 7.942 2.687 6.516 1.00 0.00 O ATOM 429 C3' DG A 14 9.790 4.155 6.930 1.00 0.00 C ATOM 430 O3' DG A 14 10.487 4.559 5.747 1.00 0.00 O ATOM 431 C2' DG A 14 8.506 4.966 7.058 1.00 0.00 C ATOM 432 C1' DG A 14 7.388 3.983 6.749 1.00 0.00 C ATOM 433 N9 DG A 14 6.402 3.853 7.835 1.00 0.00 N ATOM 434 C8 DG A 14 6.608 3.588 9.157 1.00 0.00 C ATOM 435 N7 DG A 14 5.531 3.528 9.881 1.00 0.00 N ATOM 436 C5 DG A 14 4.515 3.774 8.960 1.00 0.00 C ATOM 437 C6 DG A 14 3.109 3.836 9.151 1.00 0.00 C ATOM 438 O6 DG A 14 2.474 3.690 10.193 1.00 0.00 O ATOM 439 N1 DG A 14 2.445 4.104 7.961 1.00 0.00 N ATOM 440 C2 DG A 14 3.057 4.290 6.737 1.00 0.00 C ATOM 441 N2 DG A 14 2.250 4.530 5.704 1.00 0.00 N ATOM 442 N3 DG A 14 4.378 4.234 6.555 1.00 0.00 N ATOM 443 C4 DG A 14 5.042 3.973 7.704 1.00 0.00 C ATOM 0 H5' DG A 14 9.511 0.791 7.755 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.658 1.985 8.331 1.00 0.00 H new ATOM 0 H4' DG A 14 9.941 2.271 5.958 1.00 0.00 H new ATOM 0 H3' DG A 14 10.441 4.297 7.792 1.00 0.00 H new ATOM 0 H2' DG A 14 8.400 5.382 8.060 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.498 5.805 6.362 1.00 0.00 H new ATOM 0 H1' DG A 14 6.876 4.377 5.871 1.00 0.00 H new ATOM 0 H8 DG A 14 7.594 3.439 9.571 1.00 0.00 H new ATOM 0 H1 DG A 14 1.428 4.168 7.994 1.00 0.00 H new ATOM 0 H21 DG A 14 2.642 4.676 4.774 1.00 0.00 H new ATOM 0 H22 DG A 14 1.240 4.568 5.844 1.00 0.00 H new ATOM 455 P DC A 15 12.086 4.734 5.750 1.00 0.00 P ATOM 456 OP1 DC A 15 12.485 5.357 7.032 1.00 0.00 O ATOM 457 OP2 DC A 15 12.484 5.361 4.470 1.00 0.00 O ATOM 458 O5' DC A 15 12.604 3.211 5.745 1.00 0.00 O ATOM 459 C5' DC A 15 13.016 2.596 4.522 1.00 0.00 C ATOM 460 C4' DC A 15 13.692 1.252 4.771 1.00 0.00 C ATOM 461 O4' DC A 15 14.850 1.444 5.585 1.00 0.00 O ATOM 462 C3' DC A 15 12.806 0.242 5.488 1.00 0.00 C ATOM 463 O3' DC A 15 13.168 -1.083 5.088 1.00 0.00 O ATOM 464 C2' DC A 15 13.158 0.442 6.950 1.00 0.00 C ATOM 465 C1' DC A 15 14.601 0.929 6.900 1.00 0.00 C ATOM 466 N1 DC A 15 14.907 2.000 7.867 1.00 0.00 N ATOM 467 C2 DC A 15 15.301 1.614 9.137 1.00 0.00 C ATOM 468 O2 DC A 15 15.374 0.420 9.420 1.00 0.00 O ATOM 469 N3 DC A 15 15.598 2.582 10.045 1.00 0.00 N ATOM 470 C4 DC A 15 15.511 3.879 9.721 1.00 0.00 C ATOM 471 N4 DC A 15 15.810 4.800 10.637 1.00 0.00 N ATOM 472 C5 DC A 15 15.103 4.284 8.411 1.00 0.00 C ATOM 473 C6 DC A 15 14.812 3.317 7.519 1.00 0.00 C ATOM 0 H5' DC A 15 13.703 3.258 3.995 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.150 2.454 3.875 1.00 0.00 H new ATOM 0 H4' DC A 15 13.933 0.856 3.785 1.00 0.00 H new ATOM 0 H3' DC A 15 11.745 0.372 5.276 1.00 0.00 H new ATOM 0 H2' DC A 15 12.503 1.173 7.425 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.066 -0.485 7.516 1.00 0.00 H new ATOM 0 H1' DC A 15 15.231 0.077 7.155 1.00 0.00 H new ATOM 0 H41 DC A 15 15.748 5.791 10.403 1.00 0.00 H new ATOM 0 H42 DC A 15 16.101 4.514 11.572 1.00 0.00 H new ATOM 0 H5 DC A 15 15.031 5.329 8.146 1.00 0.00 H new ATOM 0 H6 DC A 15 14.501 3.586 6.520 1.00 0.00 H new ATOM 485 P DG A 16 12.524 -1.746 3.772 1.00 0.00 P ATOM 486 OP1 DG A 16 12.869 -3.185 3.766 1.00 0.00 O ATOM 487 OP2 DG A 16 12.873 -0.898 2.609 1.00 0.00 O ATOM 488 O5' DG A 16 10.942 -1.607 4.045 1.00 0.00 O ATOM 489 C5' DG A 16 10.355 -2.154 5.232 1.00 0.00 C ATOM 490 C4' DG A 16 8.840 -1.979 5.245 1.00 0.00 C ATOM 491 O4' DG A 16 8.544 -0.578 5.187 1.00 0.00 O ATOM 492 C3' DG A 16 8.137 -2.659 4.077 1.00 0.00 C ATOM 493 O3' DG A 16 6.972 -3.337 4.559 1.00 0.00 O ATOM 494 C2' DG A 16 7.719 -1.531 3.139 1.00 0.00 C ATOM 495 C1' DG A 16 7.987 -0.244 3.915 1.00 0.00 C ATOM 496 N9 DG A 16 8.933 0.667 3.244 1.00 0.00 N ATOM 497 C8 DG A 16 10.118 0.375 2.630 1.00 0.00 C ATOM 498 N7 DG A 16 10.736 1.393 2.110 1.00 0.00 N ATOM 499 C5 DG A 16 9.889 2.462 2.401 1.00 0.00 C ATOM 500 C6 DG A 16 10.026 3.842 2.087 1.00 0.00 C ATOM 501 O6 DG A 16 10.935 4.399 1.477 1.00 0.00 O ATOM 502 N1 DG A 16 8.953 4.580 2.567 1.00 0.00 N ATOM 503 C2 DG A 16 7.880 4.061 3.262 1.00 0.00 C ATOM 504 N2 DG A 16 6.948 4.933 3.650 1.00 0.00 N ATOM 505 N3 DG A 16 7.746 2.764 3.555 1.00 0.00 N ATOM 506 C4 DG A 16 8.784 2.026 3.097 1.00 0.00 C ATOM 0 H5' DG A 16 10.785 -1.668 6.108 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.599 -3.214 5.304 1.00 0.00 H new ATOM 0 H4' DG A 16 8.475 -2.446 6.160 1.00 0.00 H new ATOM 0 H3' DG A 16 8.777 -3.387 3.578 1.00 0.00 H new ATOM 0 H2' DG A 16 8.291 -1.558 2.212 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.667 -1.615 2.867 1.00 0.00 H new ATOM 0 H1' DG A 16 7.029 0.270 3.996 1.00 0.00 H new ATOM 0 H8 DG A 16 10.513 -0.629 2.580 1.00 0.00 H new ATOM 0 H1 DG A 16 8.958 5.585 2.392 1.00 0.00 H new ATOM 0 H21 DG A 16 6.131 4.609 4.168 1.00 0.00 H new ATOM 0 H22 DG A 16 7.053 5.923 3.429 1.00 0.00 H new ATOM 518 P DG A 17 6.986 -4.930 4.795 1.00 0.00 P ATOM 519 OP1 DG A 17 5.693 -5.322 5.399 1.00 0.00 O ATOM 520 OP2 DG A 17 8.256 -5.289 5.470 1.00 0.00 O ATOM 521 O5' DG A 17 7.026 -5.506 3.289 1.00 0.00 O ATOM 522 C5' DG A 17 7.722 -6.717 2.995 1.00 0.00 C ATOM 523 C4' DG A 17 8.146 -6.782 1.529 1.00 0.00 C ATOM 524 O4' DG A 17 7.085 -7.330 0.719 1.00 0.00 O ATOM 525 C3' DG A 17 8.531 -5.435 0.922 1.00 0.00 C ATOM 526 O3' DG A 17 9.961 -5.319 0.902 1.00 0.00 O ATOM 527 C2' DG A 17 7.995 -5.465 -0.511 1.00 0.00 C ATOM 528 C1' DG A 17 7.196 -6.769 -0.588 1.00 0.00 C ATOM 529 N9 DG A 17 5.836 -6.590 -1.115 1.00 0.00 N ATOM 530 C8 DG A 17 5.443 -6.411 -2.405 1.00 0.00 C ATOM 531 N7 DG A 17 4.166 -6.271 -2.582 1.00 0.00 N ATOM 532 C5 DG A 17 3.653 -6.365 -1.289 1.00 0.00 C ATOM 533 C6 DG A 17 2.309 -6.289 -0.834 1.00 0.00 C ATOM 534 O6 DG A 17 1.289 -6.120 -1.498 1.00 0.00 O ATOM 535 N1 DG A 17 2.228 -6.431 0.545 1.00 0.00 N ATOM 536 C2 DG A 17 3.304 -6.624 1.385 1.00 0.00 C ATOM 537 N2 DG A 17 3.026 -6.731 2.683 1.00 0.00 N ATOM 538 N3 DG A 17 4.571 -6.699 0.961 1.00 0.00 N ATOM 539 C4 DG A 17 4.671 -6.562 -0.382 1.00 0.00 C ATOM 0 H5' DG A 17 7.084 -7.569 3.228 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.603 -6.795 3.633 1.00 0.00 H new ATOM 0 H4' DG A 17 9.032 -7.417 1.528 1.00 0.00 H new ATOM 0 H3' DG A 17 8.128 -4.595 1.488 1.00 0.00 H new ATOM 0 H2' DG A 17 7.365 -4.600 -0.719 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.806 -5.451 -1.239 1.00 0.00 H new ATOM 0 H1' DG A 17 7.738 -7.422 -1.272 1.00 0.00 H new ATOM 0 H8 DG A 17 6.146 -6.387 -3.225 1.00 0.00 H new ATOM 0 H1 DG A 17 1.301 -6.389 0.969 1.00 0.00 H new ATOM 0 H21 DG A 17 3.779 -6.875 3.356 1.00 0.00 H new ATOM 0 H22 DG A 17 2.060 -6.669 3.004 1.00 0.00 H new ATOM 551 P DG A 18 10.673 -3.942 1.334 1.00 0.00 P ATOM 552 OP1 DG A 18 12.136 -4.107 1.178 1.00 0.00 O ATOM 553 OP2 DG A 18 10.113 -3.528 2.641 1.00 0.00 O ATOM 554 O5' DG A 18 10.155 -2.918 0.201 1.00 0.00 O ATOM 555 C5' DG A 18 10.600 -3.063 -1.153 1.00 0.00 C ATOM 556 C4' DG A 18 9.662 -2.376 -2.142 1.00 0.00 C ATOM 557 O4' DG A 18 8.373 -2.962 -2.077 1.00 0.00 O ATOM 558 C3' DG A 18 9.466 -0.900 -1.886 1.00 0.00 C ATOM 559 O3' DG A 18 10.480 -0.154 -2.559 1.00 0.00 O ATOM 560 C2' DG A 18 8.107 -0.623 -2.519 1.00 0.00 C ATOM 561 C1' DG A 18 7.422 -1.990 -2.542 1.00 0.00 C ATOM 562 N9 DG A 18 6.224 -2.063 -1.683 1.00 0.00 N ATOM 563 C8 DG A 18 6.129 -2.356 -0.353 1.00 0.00 C ATOM 564 N7 DG A 18 4.925 -2.311 0.138 1.00 0.00 N ATOM 565 C5 DG A 18 4.145 -1.953 -0.961 1.00 0.00 C ATOM 566 C6 DG A 18 2.740 -1.747 -1.056 1.00 0.00 C ATOM 567 O6 DG A 18 1.895 -1.836 -0.169 1.00 0.00 O ATOM 568 N1 DG A 18 2.362 -1.402 -2.348 1.00 0.00 N ATOM 569 C2 DG A 18 3.226 -1.272 -3.417 1.00 0.00 C ATOM 570 N2 DG A 18 2.679 -0.942 -4.585 1.00 0.00 N ATOM 571 N3 DG A 18 4.545 -1.465 -3.331 1.00 0.00 N ATOM 572 C4 DG A 18 4.933 -1.803 -2.080 1.00 0.00 C ATOM 0 H5' DG A 18 10.673 -4.122 -1.399 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.601 -2.643 -1.252 1.00 0.00 H new ATOM 0 H4' DG A 18 10.140 -2.504 -3.113 1.00 0.00 H new ATOM 0 H3' DG A 18 9.517 -0.628 -0.832 1.00 0.00 H new ATOM 0 H2' DG A 18 7.536 0.100 -1.936 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.211 -0.212 -3.523 1.00 0.00 H new ATOM 0 H1' DG A 18 7.091 -2.177 -3.564 1.00 0.00 H new ATOM 0 H8 DG A 18 6.991 -2.607 0.248 1.00 0.00 H new ATOM 0 H1 DG A 18 1.371 -1.232 -2.520 1.00 0.00 H new ATOM 0 H21 DG A 18 3.268 -0.832 -5.411 1.00 0.00 H new ATOM 0 H22 DG A 18 1.671 -0.800 -4.654 1.00 0.00 H new ATOM 584 P DG A 19 10.768 1.370 -2.141 1.00 0.00 P ATOM 585 OP1 DG A 19 12.046 1.788 -2.761 1.00 0.00 O ATOM 586 OP2 DG A 19 10.588 1.484 -0.676 1.00 0.00 O ATOM 587 O5' DG A 19 9.566 2.165 -2.867 1.00 0.00 O ATOM 588 C5' DG A 19 9.494 2.215 -4.297 1.00 0.00 C ATOM 589 C4' DG A 19 8.173 2.800 -4.791 1.00 0.00 C ATOM 590 O4' DG A 19 7.085 2.024 -4.307 1.00 0.00 O ATOM 591 C3' DG A 19 7.911 4.220 -4.337 1.00 0.00 C ATOM 592 O3' DG A 19 8.492 5.148 -5.259 1.00 0.00 O ATOM 593 C2' DG A 19 6.393 4.316 -4.395 1.00 0.00 C ATOM 594 C1' DG A 19 5.923 2.869 -4.243 1.00 0.00 C ATOM 595 N9 DG A 19 5.231 2.607 -2.967 1.00 0.00 N ATOM 596 C8 DG A 19 5.752 2.239 -1.760 1.00 0.00 C ATOM 597 N7 DG A 19 4.886 2.112 -0.799 1.00 0.00 N ATOM 598 C5 DG A 19 3.675 2.422 -1.418 1.00 0.00 C ATOM 599 C6 DG A 19 2.360 2.457 -0.881 1.00 0.00 C ATOM 600 O6 DG A 19 1.999 2.221 0.271 1.00 0.00 O ATOM 601 N1 DG A 19 1.426 2.815 -1.845 1.00 0.00 N ATOM 602 C2 DG A 19 1.719 3.103 -3.162 1.00 0.00 C ATOM 603 N2 DG A 19 0.687 3.421 -3.943 1.00 0.00 N ATOM 604 N3 DG A 19 2.955 3.073 -3.669 1.00 0.00 N ATOM 605 C4 DG A 19 3.879 2.725 -2.745 1.00 0.00 C ATOM 0 H5' DG A 19 9.617 1.210 -4.700 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.320 2.815 -4.679 1.00 0.00 H new ATOM 0 H4' DG A 19 8.256 2.790 -5.878 1.00 0.00 H new ATOM 0 H3' DG A 19 8.329 4.446 -3.356 1.00 0.00 H new ATOM 0 H2' DG A 19 6.003 4.948 -3.597 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.056 4.748 -5.338 1.00 0.00 H new ATOM 0 H1' DG A 19 5.208 2.669 -5.041 1.00 0.00 H new ATOM 0 H8 DG A 19 6.808 2.066 -1.614 1.00 0.00 H new ATOM 0 H1 DG A 19 0.449 2.869 -1.557 1.00 0.00 H new ATOM 0 H21 DG A 19 0.841 3.644 -4.926 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.257 3.441 -3.557 1.00 0.00 H new ATOM 617 P DT A 20 8.997 6.584 -4.738 1.00 0.00 P ATOM 618 OP1 DT A 20 9.567 7.328 -5.886 1.00 0.00 O ATOM 619 OP2 DT A 20 9.809 6.369 -3.521 1.00 0.00 O ATOM 620 O5' DT A 20 7.623 7.301 -4.306 1.00 0.00 O ATOM 621 C5' DT A 20 6.631 7.597 -5.288 1.00 0.00 C ATOM 622 C4' DT A 20 5.292 7.975 -4.654 1.00 0.00 C ATOM 623 O4' DT A 20 4.926 7.001 -3.652 1.00 0.00 O ATOM 624 C3' DT A 20 5.292 9.321 -3.944 1.00 0.00 C ATOM 625 O3' DT A 20 5.033 10.409 -4.841 1.00 0.00 O ATOM 626 C2' DT A 20 4.162 9.130 -2.947 1.00 0.00 C ATOM 627 C1' DT A 20 4.416 7.700 -2.506 1.00 0.00 C ATOM 628 N1 DT A 20 5.419 7.590 -1.437 1.00 0.00 N ATOM 629 C2 DT A 20 4.978 7.736 -0.138 1.00 0.00 C ATOM 630 O2 DT A 20 3.792 7.904 0.135 1.00 0.00 O ATOM 631 N3 DT A 20 5.952 7.677 0.840 1.00 0.00 N ATOM 632 C4 DT A 20 7.306 7.487 0.629 1.00 0.00 C ATOM 633 O4 DT A 20 8.089 7.460 1.576 1.00 0.00 O ATOM 634 C5 DT A 20 7.670 7.341 -0.764 1.00 0.00 C ATOM 635 C7 DT A 20 9.133 7.135 -1.141 1.00 0.00 C ATOM 636 C6 DT A 20 6.738 7.394 -1.732 1.00 0.00 C ATOM 0 H5' DT A 20 6.494 6.732 -5.937 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.978 8.416 -5.918 1.00 0.00 H new ATOM 0 H4' DT A 20 4.594 8.017 -5.490 1.00 0.00 H new ATOM 0 H3' DT A 20 6.249 9.581 -3.493 1.00 0.00 H new ATOM 0 H2' DT A 20 4.218 9.835 -2.118 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.181 9.254 -3.405 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.041 11.253 -4.343 1.00 0.00 H new ATOM 0 H1' DT A 20 3.483 7.292 -2.118 1.00 0.00 H new ATOM 0 H3 DT A 20 5.644 7.783 1.807 1.00 0.00 H new ATOM 0 H71 DT A 20 9.771 7.629 -0.408 1.00 0.00 H new ATOM 0 H72 DT A 20 9.358 6.069 -1.157 1.00 0.00 H new ATOM 0 H73 DT A 20 9.318 7.559 -2.128 1.00 0.00 H new ATOM 0 H6 DT A 20 7.038 7.279 -2.763 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.352 5.703 1.018 1.00 0.00 C HETATM 652 C2 BER A 101 -1.670 5.919 0.634 1.00 0.00 C HETATM 653 N1 BER A 101 -0.064 5.533 2.315 1.00 0.00 N HETATM 654 C3 BER A 101 0.652 5.676 0.056 1.00 0.00 C HETATM 655 C4 BER A 101 -2.674 5.977 1.591 1.00 0.00 C HETATM 656 C5 BER A 101 -2.011 6.110 -0.698 1.00 0.00 C HETATM 657 C6 BER A 101 1.260 5.315 2.720 1.00 0.00 C HETATM 658 C7 BER A 101 -1.150 5.201 3.268 1.00 0.00 C HETATM 659 C8 BER A 101 1.971 5.456 0.431 1.00 0.00 C HETATM 660 C9 BER A 101 -3.970 6.224 1.157 1.00 0.00 C HETATM 661 C10 BER A 101 -2.347 6.096 2.938 1.00 0.00 C HETATM 662 C11 BER A 101 -3.274 6.341 -1.052 1.00 0.00 C HETATM 663 C12 BER A 101 2.276 5.262 1.773 1.00 0.00 C HETATM 664 C13 BER A 101 2.950 5.304 -0.544 1.00 0.00 C HETATM 665 C14 BER A 101 -4.240 6.390 -0.137 1.00 0.00 C HETATM 666 O1 BER A 101 -3.782 6.510 -2.300 1.00 0.00 O HETATM 667 C15 BER A 101 3.577 4.939 2.147 1.00 0.00 C HETATM 668 C16 BER A 101 4.250 4.985 -0.176 1.00 0.00 C HETATM 669 O2 BER A 101 -5.445 6.628 -0.722 1.00 0.00 O HETATM 670 C17 BER A 101 -5.128 6.960 -2.082 1.00 0.00 C HETATM 671 C18 BER A 101 4.556 4.814 1.169 1.00 0.00 C HETATM 672 O3 BER A 101 3.882 4.723 3.455 1.00 0.00 O HETATM 673 O4 BER A 101 5.829 4.600 1.599 1.00 0.00 O HETATM 674 C19 BER A 101 4.306 5.945 4.064 1.00 0.00 C HETATM 675 C20 BER A 101 6.708 4.526 0.474 1.00 0.00 C HETATM 0 H203 BER A 101 6.401 3.705 -0.174 1.00 0.00 H new HETATM 0 H202 BER A 101 6.666 5.462 -0.083 1.00 0.00 H new HETATM 0 H201 BER A 101 7.727 4.355 0.819 1.00 0.00 H new HETATM 0 H193 BER A 101 5.188 6.322 3.547 1.00 0.00 H new HETATM 0 H192 BER A 101 3.505 6.681 3.999 1.00 0.00 H new HETATM 0 H191 BER A 101 4.549 5.765 5.111 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.212 8.034 -2.250 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.818 6.474 -2.772 1.00 0.00 H new HETATM 0 H161 BER A 101 5.024 4.870 -0.935 1.00 0.00 H new HETATM 0 H131 BER A 101 2.697 5.435 -1.596 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.111 7.134 3.173 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.201 5.816 3.554 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.778 6.283 1.886 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.424 4.149 3.185 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.822 5.364 4.294 1.00 0.00 H new HETATM 0 H61 BER A 101 1.493 5.187 3.777 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.236 6.070 -1.463 1.00 0.00 H new HETATM 0 H31 BER A 101 0.403 5.828 -0.994 1.00 0.00 H new