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= 0.824 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.45! (180deg=-7.17!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.307 -3.789 -7.318 1.00 0.00 O ATOM 2 C5' DG A 1 3.384 -3.752 -8.743 1.00 0.00 C ATOM 3 C4' DG A 1 2.038 -3.389 -9.370 1.00 0.00 C ATOM 4 O4' DG A 1 1.043 -4.332 -8.967 1.00 0.00 O ATOM 5 C3' DG A 1 1.510 -2.023 -8.973 1.00 0.00 C ATOM 6 O3' DG A 1 2.025 -1.020 -9.856 1.00 0.00 O ATOM 7 C2' DG A 1 0.010 -2.172 -9.175 1.00 0.00 C ATOM 8 C1' DG A 1 -0.227 -3.660 -8.918 1.00 0.00 C ATOM 9 N9 DG A 1 -0.840 -3.938 -7.605 1.00 0.00 N ATOM 10 C8 DG A 1 -2.147 -3.814 -7.226 1.00 0.00 C ATOM 11 N7 DG A 1 -2.393 -4.106 -5.985 1.00 0.00 N ATOM 12 C5 DG A 1 -1.139 -4.459 -5.486 1.00 0.00 C ATOM 13 C6 DG A 1 -0.765 -4.877 -4.179 1.00 0.00 C ATOM 14 O6 DG A 1 -1.479 -5.014 -3.188 1.00 0.00 O ATOM 15 N1 DG A 1 0.596 -5.138 -4.099 1.00 0.00 N ATOM 16 C2 DG A 1 1.490 -5.013 -5.143 1.00 0.00 C ATOM 17 N2 DG A 1 2.759 -5.314 -4.869 1.00 0.00 N ATOM 18 N3 DG A 1 1.143 -4.619 -6.373 1.00 0.00 N ATOM 19 C4 DG A 1 -0.182 -4.360 -6.472 1.00 0.00 C ATOM 0 H5' DG A 1 3.710 -4.723 -9.116 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.136 -3.025 -9.049 1.00 0.00 H new ATOM 0 H4' DG A 1 2.222 -3.392 -10.444 1.00 0.00 H new ATOM 0 H3' DG A 1 1.789 -1.725 -7.962 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.554 -1.548 -8.482 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.292 -1.883 -10.182 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.560 -4.362 -7.046 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.919 -4.013 -9.682 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.920 -3.496 -7.910 1.00 0.00 H new ATOM 0 H1 DG A 1 0.964 -5.446 -3.199 1.00 0.00 H new ATOM 0 H21 DG A 1 3.469 -5.242 -5.598 1.00 0.00 H new ATOM 0 H22 DG A 1 3.020 -5.616 -3.930 1.00 0.00 H new ATOM 32 P DG A 2 2.259 0.480 -9.324 1.00 0.00 P ATOM 33 OP1 DG A 2 2.787 1.294 -10.443 1.00 0.00 O ATOM 34 OP2 DG A 2 3.007 0.404 -8.049 1.00 0.00 O ATOM 35 O5' DG A 2 0.759 0.975 -9.001 1.00 0.00 O ATOM 36 C5' DG A 2 -0.191 1.141 -10.057 1.00 0.00 C ATOM 37 C4' DG A 2 -1.618 1.266 -9.523 1.00 0.00 C ATOM 38 O4' DG A 2 -1.998 0.080 -8.826 1.00 0.00 O ATOM 39 C3' DG A 2 -1.822 2.424 -8.555 1.00 0.00 C ATOM 40 O3' DG A 2 -2.206 3.602 -9.266 1.00 0.00 O ATOM 41 C2' DG A 2 -2.968 1.942 -7.687 1.00 0.00 C ATOM 42 C1' DG A 2 -2.704 0.440 -7.628 1.00 0.00 C ATOM 43 N9 DG A 2 -1.875 0.031 -6.479 1.00 0.00 N ATOM 44 C8 DG A 2 -0.515 -0.048 -6.385 1.00 0.00 C ATOM 45 N7 DG A 2 -0.061 -0.412 -5.221 1.00 0.00 N ATOM 46 C5 DG A 2 -1.222 -0.594 -4.469 1.00 0.00 C ATOM 47 C6 DG A 2 -1.376 -0.992 -3.112 1.00 0.00 C ATOM 48 O6 DG A 2 -0.500 -1.260 -2.291 1.00 0.00 O ATOM 49 N1 DG A 2 -2.715 -1.054 -2.748 1.00 0.00 N ATOM 50 C2 DG A 2 -3.777 -0.769 -3.583 1.00 0.00 C ATOM 51 N2 DG A 2 -4.995 -0.888 -3.054 1.00 0.00 N ATOM 52 N3 DG A 2 -3.636 -0.392 -4.858 1.00 0.00 N ATOM 53 C4 DG A 2 -2.337 -0.326 -5.232 1.00 0.00 C ATOM 0 H5' DG A 2 -0.131 0.291 -10.737 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.060 2.030 -10.635 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.228 1.440 -10.409 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.925 2.679 -7.990 1.00 0.00 H new ATOM 0 H2' DG A 2 -2.952 2.399 -6.698 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.939 2.170 -8.128 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.668 -0.059 -7.526 1.00 0.00 H new ATOM 0 H8 DG A 2 0.137 0.175 -7.217 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.930 -1.331 -1.790 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.819 -0.691 -3.622 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.103 -1.176 -2.081 1.00 0.00 H new ATOM 65 P DG A 3 -2.136 5.035 -8.541 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.191 6.084 -9.584 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.014 5.010 -7.577 1.00 0.00 O ATOM 68 O5' DG A 3 -3.516 5.074 -7.715 1.00 0.00 O ATOM 69 C5' DG A 3 -4.768 4.947 -8.393 1.00 0.00 C ATOM 70 C4' DG A 3 -5.939 4.909 -7.417 1.00 0.00 C ATOM 71 O4' DG A 3 -5.639 3.977 -6.363 1.00 0.00 O ATOM 72 C3' DG A 3 -6.239 6.254 -6.762 1.00 0.00 C ATOM 73 O3' DG A 3 -7.656 6.442 -6.695 1.00 0.00 O ATOM 74 C2' DG A 3 -5.670 6.148 -5.353 1.00 0.00 C ATOM 75 C1' DG A 3 -5.613 4.646 -5.099 1.00 0.00 C ATOM 76 N9 DG A 3 -4.397 4.205 -4.388 1.00 0.00 N ATOM 77 C8 DG A 3 -3.108 4.150 -4.839 1.00 0.00 C ATOM 78 N7 DG A 3 -2.237 3.725 -3.974 1.00 0.00 N ATOM 79 C5 DG A 3 -3.010 3.472 -2.843 1.00 0.00 C ATOM 80 C6 DG A 3 -2.620 2.986 -1.566 1.00 0.00 C ATOM 81 O6 DG A 3 -1.494 2.681 -1.177 1.00 0.00 O ATOM 82 N1 DG A 3 -3.707 2.872 -0.710 1.00 0.00 N ATOM 83 C2 DG A 3 -5.010 3.185 -1.039 1.00 0.00 C ATOM 84 N2 DG A 3 -5.920 3.006 -0.082 1.00 0.00 N ATOM 85 N3 DG A 3 -5.381 3.644 -2.239 1.00 0.00 N ATOM 86 C4 DG A 3 -4.334 3.762 -3.088 1.00 0.00 C ATOM 0 H5' DG A 3 -4.766 4.037 -8.993 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.895 5.783 -9.081 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.812 4.619 -8.001 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.811 7.090 -7.315 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.682 6.604 -5.285 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.305 6.653 -4.625 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.467 4.403 -4.467 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.833 4.439 -5.843 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.529 2.531 0.235 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.901 3.220 -0.264 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.636 2.655 0.833 1.00 0.00 H new ATOM 98 P DG A 4 -8.409 7.357 -7.784 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.606 8.582 -7.994 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.833 7.465 -7.393 1.00 0.00 O ATOM 101 O5' DG A 4 -8.323 6.460 -9.118 1.00 0.00 O ATOM 102 C5' DG A 4 -9.401 6.451 -10.056 1.00 0.00 C ATOM 103 C4' DG A 4 -8.972 5.870 -11.401 1.00 0.00 C ATOM 104 O4' DG A 4 -8.010 6.741 -11.996 1.00 0.00 O ATOM 105 C3' DG A 4 -8.343 4.488 -11.297 1.00 0.00 C ATOM 106 O3' DG A 4 -8.737 3.701 -12.427 1.00 0.00 O ATOM 107 C2' DG A 4 -6.844 4.746 -11.345 1.00 0.00 C ATOM 108 C1' DG A 4 -6.717 6.119 -12.001 1.00 0.00 C ATOM 109 N9 DG A 4 -5.787 7.027 -11.307 1.00 0.00 N ATOM 110 C8 DG A 4 -6.043 7.929 -10.314 1.00 0.00 C ATOM 111 N7 DG A 4 -5.011 8.599 -9.896 1.00 0.00 N ATOM 112 C5 DG A 4 -3.971 8.100 -10.678 1.00 0.00 C ATOM 113 C6 DG A 4 -2.593 8.445 -10.685 1.00 0.00 C ATOM 114 O6 DG A 4 -2.011 9.273 -9.987 1.00 0.00 O ATOM 115 N1 DG A 4 -1.888 7.708 -11.627 1.00 0.00 N ATOM 116 C2 DG A 4 -2.439 6.755 -12.461 1.00 0.00 C ATOM 117 N2 DG A 4 -1.600 6.150 -13.303 1.00 0.00 N ATOM 118 N3 DG A 4 -3.734 6.429 -12.456 1.00 0.00 N ATOM 119 C4 DG A 4 -4.437 7.138 -11.546 1.00 0.00 C ATOM 0 H5' DG A 4 -9.768 7.467 -10.199 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.229 5.867 -9.654 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.878 5.777 -12.000 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.644 3.953 -10.396 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.408 4.741 -10.346 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.327 3.980 -11.923 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.325 5.952 -13.004 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.032 8.075 -9.906 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.887 7.884 -11.709 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.947 5.437 -13.944 1.00 0.00 H new ATOM 0 H22 DG A 4 -0.611 6.401 -13.306 1.00 0.00 H new ATOM 131 P DC A 5 -9.767 2.476 -12.250 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.090 1.944 -13.594 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.857 2.914 -11.350 1.00 0.00 O ATOM 134 O5' DC A 5 -8.882 1.377 -11.473 1.00 0.00 O ATOM 135 C5' DC A 5 -7.687 0.860 -12.065 1.00 0.00 C ATOM 136 C4' DC A 5 -6.976 -0.131 -11.140 1.00 0.00 C ATOM 137 O4' DC A 5 -6.583 0.465 -9.918 1.00 0.00 O ATOM 138 C3' DC A 5 -7.825 -1.344 -10.752 1.00 0.00 C ATOM 139 O3' DC A 5 -7.483 -2.440 -11.611 1.00 0.00 O ATOM 140 C2' DC A 5 -7.424 -1.673 -9.326 1.00 0.00 C ATOM 141 C1' DC A 5 -6.368 -0.626 -9.017 1.00 0.00 C ATOM 142 N1 DC A 5 -6.408 -0.100 -7.638 1.00 0.00 N ATOM 143 C2 DC A 5 -5.989 -0.948 -6.625 1.00 0.00 C ATOM 144 O2 DC A 5 -5.615 -2.088 -6.894 1.00 0.00 O ATOM 145 N3 DC A 5 -5.989 -0.480 -5.347 1.00 0.00 N ATOM 146 C4 DC A 5 -6.382 0.772 -5.072 1.00 0.00 C ATOM 147 N4 DC A 5 -6.366 1.201 -3.808 1.00 0.00 N ATOM 148 C5 DC A 5 -6.816 1.652 -6.115 1.00 0.00 C ATOM 149 C6 DC A 5 -6.814 1.177 -7.378 1.00 0.00 C ATOM 0 H5' DC A 5 -7.013 1.683 -12.302 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.931 0.367 -13.006 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.119 -0.450 -11.733 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.895 -1.153 -10.840 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.271 -1.606 -8.643 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.026 -2.684 -9.242 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.395 -1.105 -9.130 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.663 2.152 -3.588 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.057 0.578 -3.062 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.134 2.661 -5.898 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.136 1.812 -8.190 1.00 0.00 H new ATOM 161 P DG A 6 -8.561 -3.590 -11.951 1.00 0.00 P ATOM 162 OP1 DG A 6 -7.992 -4.458 -13.007 1.00 0.00 O ATOM 163 OP2 DG A 6 -9.874 -2.941 -12.163 1.00 0.00 O ATOM 164 O5' DG A 6 -8.628 -4.440 -10.581 1.00 0.00 O ATOM 165 C5' DG A 6 -9.714 -5.344 -10.343 1.00 0.00 C ATOM 166 C4' DG A 6 -9.645 -5.986 -8.956 1.00 0.00 C ATOM 167 O4' DG A 6 -8.479 -6.789 -8.818 1.00 0.00 O ATOM 168 C3' DG A 6 -9.591 -5.002 -7.802 1.00 0.00 C ATOM 169 O3' DG A 6 -10.916 -4.603 -7.443 1.00 0.00 O ATOM 170 C2' DG A 6 -8.979 -5.828 -6.678 1.00 0.00 C ATOM 171 C1' DG A 6 -8.153 -6.880 -7.424 1.00 0.00 C ATOM 172 N9 DG A 6 -6.704 -6.688 -7.279 1.00 0.00 N ATOM 173 C8 DG A 6 -5.850 -5.963 -8.057 1.00 0.00 C ATOM 174 N7 DG A 6 -4.612 -5.961 -7.660 1.00 0.00 N ATOM 175 C5 DG A 6 -4.644 -6.755 -6.515 1.00 0.00 C ATOM 176 C6 DG A 6 -3.593 -7.124 -5.635 1.00 0.00 C ATOM 177 O6 DG A 6 -2.405 -6.815 -5.694 1.00 0.00 O ATOM 178 N1 DG A 6 -4.053 -7.933 -4.603 1.00 0.00 N ATOM 179 C2 DG A 6 -5.360 -8.338 -4.435 1.00 0.00 C ATOM 180 N2 DG A 6 -5.606 -9.114 -3.379 1.00 0.00 N ATOM 181 N3 DG A 6 -6.352 -7.993 -5.262 1.00 0.00 N ATOM 182 C4 DG A 6 -5.921 -7.204 -6.275 1.00 0.00 C ATOM 0 H5' DG A 6 -9.706 -6.125 -11.103 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.658 -4.809 -10.446 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.570 -6.561 -8.900 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.033 -4.094 -8.030 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.357 -5.218 -6.023 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.745 -6.287 -6.053 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.396 -7.853 -6.998 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.178 -5.430 -8.937 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.370 -8.252 -3.916 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.554 -9.447 -3.200 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.847 -9.375 -2.750 1.00 0.00 H new ATOM 194 P DG A 7 -11.195 -3.131 -6.848 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.660 -2.905 -6.856 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.298 -2.173 -7.529 1.00 0.00 O ATOM 197 O5' DG A 7 -10.715 -3.272 -5.315 1.00 0.00 O ATOM 198 C5' DG A 7 -11.412 -4.149 -4.431 1.00 0.00 C ATOM 199 C4' DG A 7 -10.949 -4.015 -2.978 1.00 0.00 C ATOM 200 O4' DG A 7 -9.666 -4.621 -2.727 1.00 0.00 O ATOM 201 C3' DG A 7 -10.823 -2.576 -2.463 1.00 0.00 C ATOM 202 O3' DG A 7 -12.004 -2.234 -1.726 1.00 0.00 O ATOM 203 C2' DG A 7 -9.617 -2.628 -1.514 1.00 0.00 C ATOM 204 C1' DG A 7 -9.358 -4.125 -1.433 1.00 0.00 C ATOM 205 N9 DG A 7 -7.983 -4.527 -1.046 1.00 0.00 N ATOM 206 C8 DG A 7 -7.570 -4.990 0.169 1.00 0.00 C ATOM 207 N7 DG A 7 -6.304 -5.246 0.269 1.00 0.00 N ATOM 208 C5 DG A 7 -5.810 -4.930 -0.991 1.00 0.00 C ATOM 209 C6 DG A 7 -4.479 -5.011 -1.478 1.00 0.00 C ATOM 210 O6 DG A 7 -3.468 -5.371 -0.876 1.00 0.00 O ATOM 211 N1 DG A 7 -4.392 -4.606 -2.798 1.00 0.00 N ATOM 212 C2 DG A 7 -5.457 -4.176 -3.566 1.00 0.00 C ATOM 213 N2 DG A 7 -5.170 -3.833 -4.821 1.00 0.00 N ATOM 214 N3 DG A 7 -6.722 -4.096 -3.112 1.00 0.00 N ATOM 215 C4 DG A 7 -6.825 -4.488 -1.817 1.00 0.00 C ATOM 0 H5' DG A 7 -11.269 -5.178 -4.760 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.481 -3.942 -4.488 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.752 -4.531 -2.452 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.702 -1.842 -3.260 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.759 -2.084 -1.911 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.844 -2.198 -0.539 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.971 -4.539 -0.632 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.253 -5.134 0.993 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.472 -4.626 -3.238 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.910 -3.507 -5.442 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.210 -3.897 -5.160 1.00 0.00 H new ATOM 227 P DG A 8 -12.255 -0.730 -1.211 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.678 -0.610 -0.826 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.678 0.200 -2.206 1.00 0.00 O ATOM 230 O5' DG A 8 -11.360 -0.660 0.128 1.00 0.00 O ATOM 231 C5' DG A 8 -11.654 -1.518 1.234 1.00 0.00 C ATOM 232 C4' DG A 8 -10.502 -1.576 2.232 1.00 0.00 C ATOM 233 O4' DG A 8 -9.326 -2.083 1.626 1.00 0.00 O ATOM 234 C3' DG A 8 -10.115 -0.227 2.820 1.00 0.00 C ATOM 235 O3' DG A 8 -10.831 -0.007 4.039 1.00 0.00 O ATOM 236 C2' DG A 8 -8.624 -0.372 3.124 1.00 0.00 C ATOM 237 C1' DG A 8 -8.230 -1.689 2.451 1.00 0.00 C ATOM 238 N9 DG A 8 -7.025 -1.601 1.604 1.00 0.00 N ATOM 239 C8 DG A 8 -6.914 -1.241 0.292 1.00 0.00 C ATOM 240 N7 DG A 8 -5.701 -1.247 -0.180 1.00 0.00 N ATOM 241 C5 DG A 8 -4.935 -1.649 0.914 1.00 0.00 C ATOM 242 C6 DG A 8 -3.531 -1.845 1.024 1.00 0.00 C ATOM 243 O6 DG A 8 -2.669 -1.694 0.160 1.00 0.00 O ATOM 244 N1 DG A 8 -3.173 -2.254 2.303 1.00 0.00 N ATOM 245 C2 DG A 8 -4.052 -2.452 3.348 1.00 0.00 C ATOM 246 N2 DG A 8 -3.519 -2.853 4.502 1.00 0.00 N ATOM 247 N3 DG A 8 -5.370 -2.267 3.248 1.00 0.00 N ATOM 248 C4 DG A 8 -5.741 -1.868 2.010 1.00 0.00 C ATOM 0 H5' DG A 8 -11.867 -2.522 0.868 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.553 -1.165 1.738 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.877 -2.222 3.025 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.337 0.605 2.152 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.053 0.466 2.724 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.437 -0.402 4.198 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.999 -2.403 3.241 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.769 -0.971 -0.310 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.183 -2.421 2.483 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.118 -3.016 5.311 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.512 -2.997 4.576 1.00 0.00 H new ATOM 260 P DG A 9 -10.741 1.417 4.783 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.845 1.497 5.767 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.599 2.465 3.748 1.00 0.00 O ATOM 263 O5' DG A 9 -9.350 1.311 5.588 1.00 0.00 O ATOM 264 C5' DG A 9 -9.128 0.251 6.524 1.00 0.00 C ATOM 265 C4' DG A 9 -7.654 0.140 6.920 1.00 0.00 C ATOM 266 O4' DG A 9 -6.826 0.159 5.738 1.00 0.00 O ATOM 267 C3' DG A 9 -7.149 1.296 7.802 1.00 0.00 C ATOM 268 O3' DG A 9 -6.222 0.797 8.775 1.00 0.00 O ATOM 269 C2' DG A 9 -6.386 2.159 6.817 1.00 0.00 C ATOM 270 C1' DG A 9 -5.757 1.060 6.002 1.00 0.00 C ATOM 271 N9 DG A 9 -5.130 1.471 4.736 1.00 0.00 N ATOM 272 C8 DG A 9 -5.689 1.953 3.588 1.00 0.00 C ATOM 273 N7 DG A 9 -4.840 2.237 2.643 1.00 0.00 N ATOM 274 C5 DG A 9 -3.608 1.915 3.215 1.00 0.00 C ATOM 275 C6 DG A 9 -2.293 2.006 2.679 1.00 0.00 C ATOM 276 O6 DG A 9 -1.947 2.402 1.567 1.00 0.00 O ATOM 277 N1 DG A 9 -1.338 1.575 3.596 1.00 0.00 N ATOM 278 C2 DG A 9 -1.612 1.115 4.867 1.00 0.00 C ATOM 279 N2 DG A 9 -0.567 0.741 5.605 1.00 0.00 N ATOM 280 N3 DG A 9 -2.841 1.032 5.370 1.00 0.00 N ATOM 281 C4 DG A 9 -3.784 1.446 4.494 1.00 0.00 C ATOM 0 H5' DG A 9 -9.459 -0.692 6.090 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.732 0.421 7.415 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.586 -0.791 7.482 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.950 1.812 8.332 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.037 2.805 6.227 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.650 2.803 7.299 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.925 0.639 6.567 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.754 2.088 3.472 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.361 1.602 3.305 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.711 0.393 6.553 1.00 0.00 H new ATOM 0 H22 DG A 9 0.376 0.803 5.222 1.00 0.00 H new ATOM 293 P DC A 10 -6.719 0.130 10.151 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.970 0.799 10.566 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.567 0.075 11.080 1.00 0.00 O ATOM 296 O5' DC A 10 -7.069 -1.375 9.699 1.00 0.00 O ATOM 297 C5' DC A 10 -6.021 -2.309 9.426 1.00 0.00 C ATOM 298 C4' DC A 10 -6.570 -3.717 9.232 1.00 0.00 C ATOM 299 O4' DC A 10 -7.175 -4.162 10.447 1.00 0.00 O ATOM 300 C3' DC A 10 -7.626 -3.810 8.143 1.00 0.00 C ATOM 301 O3' DC A 10 -7.571 -5.102 7.531 1.00 0.00 O ATOM 302 C2' DC A 10 -8.935 -3.653 8.899 1.00 0.00 C ATOM 303 C1' DC A 10 -8.602 -4.163 10.300 1.00 0.00 C ATOM 304 N1 DC A 10 -9.158 -3.341 11.392 1.00 0.00 N ATOM 305 C2 DC A 10 -10.439 -3.640 11.828 1.00 0.00 C ATOM 306 O2 DC A 10 -11.072 -4.552 11.300 1.00 0.00 O ATOM 307 N3 DC A 10 -10.965 -2.904 12.846 1.00 0.00 N ATOM 308 C4 DC A 10 -10.262 -1.914 13.414 1.00 0.00 C ATOM 309 N4 DC A 10 -10.805 -1.214 14.411 1.00 0.00 N ATOM 310 C5 DC A 10 -8.939 -1.601 12.967 1.00 0.00 C ATOM 311 C6 DC A 10 -8.429 -2.335 11.958 1.00 0.00 C ATOM 0 H5' DC A 10 -5.305 -2.306 10.248 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.480 -2.001 8.531 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.721 -4.335 8.939 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.498 -3.069 7.354 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.265 -2.614 8.918 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.735 -4.234 8.440 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.047 -5.155 10.383 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.278 -0.459 14.850 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.747 -1.434 14.735 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.369 -0.805 13.422 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.434 -2.125 11.594 1.00 0.00 H new ATOM 323 P DG A 11 -6.727 -5.324 6.178 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.573 -4.015 5.507 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.319 -6.466 5.446 1.00 0.00 O ATOM 326 O5' DG A 11 -5.284 -5.774 6.735 1.00 0.00 O ATOM 327 C5' DG A 11 -5.162 -6.948 7.538 1.00 0.00 C ATOM 328 C4' DG A 11 -3.706 -7.359 7.734 1.00 0.00 C ATOM 329 O4' DG A 11 -3.133 -7.847 6.513 1.00 0.00 O ATOM 330 C3' DG A 11 -2.791 -6.241 8.206 1.00 0.00 C ATOM 331 O3' DG A 11 -2.788 -6.189 9.637 1.00 0.00 O ATOM 332 C2' DG A 11 -1.412 -6.664 7.703 1.00 0.00 C ATOM 333 C1' DG A 11 -1.714 -7.742 6.654 1.00 0.00 C ATOM 334 N9 DG A 11 -1.136 -7.451 5.328 1.00 0.00 N ATOM 335 C8 DG A 11 0.157 -7.597 4.917 1.00 0.00 C ATOM 336 N7 DG A 11 0.391 -7.249 3.689 1.00 0.00 N ATOM 337 C5 DG A 11 -0.857 -6.831 3.233 1.00 0.00 C ATOM 338 C6 DG A 11 -1.238 -6.334 1.959 1.00 0.00 C ATOM 339 O6 DG A 11 -0.534 -6.166 0.966 1.00 0.00 O ATOM 340 N1 DG A 11 -2.590 -6.026 1.914 1.00 0.00 N ATOM 341 C2 DG A 11 -3.471 -6.176 2.966 1.00 0.00 C ATOM 342 N2 DG A 11 -4.735 -5.821 2.729 1.00 0.00 N ATOM 343 N3 DG A 11 -3.118 -6.645 4.169 1.00 0.00 N ATOM 344 C4 DG A 11 -1.800 -6.951 4.231 1.00 0.00 C ATOM 0 H5' DG A 11 -5.709 -7.766 7.069 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.623 -6.772 8.510 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.760 -8.126 8.506 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.096 -5.259 7.844 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.871 -5.824 7.268 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.795 -7.056 8.512 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.261 -8.669 7.006 1.00 0.00 H new ATOM 0 H8 DG A 11 0.931 -7.976 5.568 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.961 -5.661 1.037 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.436 -5.908 3.465 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.001 -5.463 1.812 1.00 0.00 H new ATOM 356 P DG A 12 -2.600 -4.784 10.401 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.672 -5.034 11.859 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.508 -3.800 9.774 1.00 0.00 O ATOM 359 O5' DG A 12 -1.085 -4.385 10.033 1.00 0.00 O ATOM 360 C5' DG A 12 0.005 -5.178 10.506 1.00 0.00 C ATOM 361 C4' DG A 12 1.282 -4.917 9.710 1.00 0.00 C ATOM 362 O4' DG A 12 1.071 -5.179 8.331 1.00 0.00 O ATOM 363 C3' DG A 12 1.783 -3.482 9.789 1.00 0.00 C ATOM 364 O3' DG A 12 2.702 -3.356 10.875 1.00 0.00 O ATOM 365 C2' DG A 12 2.512 -3.265 8.467 1.00 0.00 C ATOM 366 C1' DG A 12 1.924 -4.338 7.544 1.00 0.00 C ATOM 367 N9 DG A 12 1.119 -3.798 6.433 1.00 0.00 N ATOM 368 C8 DG A 12 -0.213 -3.498 6.399 1.00 0.00 C ATOM 369 N7 DG A 12 -0.644 -3.027 5.268 1.00 0.00 N ATOM 370 C5 DG A 12 0.500 -3.012 4.473 1.00 0.00 C ATOM 371 C6 DG A 12 0.666 -2.598 3.123 1.00 0.00 C ATOM 372 O6 DG A 12 -0.182 -2.149 2.354 1.00 0.00 O ATOM 373 N1 DG A 12 1.981 -2.745 2.702 1.00 0.00 N ATOM 374 C2 DG A 12 3.012 -3.231 3.480 1.00 0.00 C ATOM 375 N2 DG A 12 4.208 -3.304 2.898 1.00 0.00 N ATOM 376 N3 DG A 12 2.860 -3.619 4.750 1.00 0.00 N ATOM 377 C4 DG A 12 1.584 -3.483 5.179 1.00 0.00 C ATOM 0 H5' DG A 12 -0.257 -6.234 10.438 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.182 -4.961 11.559 1.00 0.00 H new ATOM 0 H4' DG A 12 2.022 -5.580 10.159 1.00 0.00 H new ATOM 0 H3' DG A 12 0.981 -2.761 9.949 1.00 0.00 H new ATOM 0 H2' DG A 12 2.340 -2.262 8.075 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.590 -3.382 8.581 1.00 0.00 H new ATOM 0 H1' DG A 12 2.766 -4.871 7.102 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.861 -3.642 7.251 1.00 0.00 H new ATOM 0 H1 DG A 12 2.202 -2.473 1.744 1.00 0.00 H new ATOM 0 H21 DG A 12 5.010 -3.655 3.422 1.00 0.00 H new ATOM 0 H22 DG A 12 4.322 -3.009 1.928 1.00 0.00 H new ATOM 389 P DG A 13 3.063 -1.904 11.471 1.00 0.00 P ATOM 390 OP1 DG A 13 3.773 -2.095 12.756 1.00 0.00 O ATOM 391 OP2 DG A 13 1.844 -1.065 11.419 1.00 0.00 O ATOM 392 O5' DG A 13 4.114 -1.337 10.391 1.00 0.00 O ATOM 393 C5' DG A 13 5.353 -2.017 10.168 1.00 0.00 C ATOM 394 C4' DG A 13 6.086 -1.482 8.940 1.00 0.00 C ATOM 395 O4' DG A 13 5.267 -1.564 7.791 1.00 0.00 O ATOM 396 C3' DG A 13 6.504 -0.022 9.046 1.00 0.00 C ATOM 397 O3' DG A 13 7.834 0.056 9.563 1.00 0.00 O ATOM 398 C2' DG A 13 6.482 0.483 7.604 1.00 0.00 C ATOM 399 C1' DG A 13 5.677 -0.575 6.844 1.00 0.00 C ATOM 400 N9 DG A 13 4.470 -0.053 6.178 1.00 0.00 N ATOM 401 C8 DG A 13 3.212 0.120 6.680 1.00 0.00 C ATOM 402 N7 DG A 13 2.346 0.612 5.844 1.00 0.00 N ATOM 403 C5 DG A 13 3.092 0.783 4.679 1.00 0.00 C ATOM 404 C6 DG A 13 2.697 1.287 3.409 1.00 0.00 C ATOM 405 O6 DG A 13 1.591 1.696 3.061 1.00 0.00 O ATOM 406 N1 DG A 13 3.757 1.289 2.511 1.00 0.00 N ATOM 407 C2 DG A 13 5.037 0.859 2.794 1.00 0.00 C ATOM 408 N2 DG A 13 5.919 0.933 1.798 1.00 0.00 N ATOM 409 N3 DG A 13 5.411 0.387 3.986 1.00 0.00 N ATOM 410 C4 DG A 13 4.393 0.376 4.876 1.00 0.00 C ATOM 0 H5' DG A 13 5.164 -3.083 10.041 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.989 -1.908 11.046 1.00 0.00 H new ATOM 0 H4' DG A 13 6.977 -2.107 8.871 1.00 0.00 H new ATOM 0 H3' DG A 13 5.856 0.557 9.704 1.00 0.00 H new ATOM 0 H2' DG A 13 6.014 1.465 7.534 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.490 0.581 7.201 1.00 0.00 H new ATOM 0 H1' DG A 13 6.322 -0.968 6.058 1.00 0.00 H new ATOM 0 H8 DG A 13 2.955 -0.133 7.698 1.00 0.00 H new ATOM 0 H1 DG A 13 3.575 1.635 1.569 1.00 0.00 H new ATOM 0 H21 DG A 13 6.882 0.630 1.946 1.00 0.00 H new ATOM 0 H22 DG A 13 5.631 1.293 0.888 1.00 0.00 H new ATOM 422 P DG A 14 8.308 1.351 10.392 1.00 0.00 P ATOM 423 OP1 DG A 14 9.629 1.059 10.992 1.00 0.00 O ATOM 424 OP2 DG A 14 7.186 1.781 11.255 1.00 0.00 O ATOM 425 O5' DG A 14 8.512 2.453 9.236 1.00 0.00 O ATOM 426 C5' DG A 14 9.421 2.216 8.154 1.00 0.00 C ATOM 427 C4' DG A 14 9.006 2.965 6.892 1.00 0.00 C ATOM 428 O4' DG A 14 7.578 2.873 6.754 1.00 0.00 O ATOM 429 C3' DG A 14 9.375 4.446 6.909 1.00 0.00 C ATOM 430 O3' DG A 14 10.014 4.776 5.672 1.00 0.00 O ATOM 431 C2' DG A 14 8.062 5.213 7.015 1.00 0.00 C ATOM 432 C1' DG A 14 6.972 4.157 6.904 1.00 0.00 C ATOM 433 N9 DG A 14 6.087 4.093 8.077 1.00 0.00 N ATOM 434 C8 DG A 14 6.401 3.847 9.381 1.00 0.00 C ATOM 435 N7 DG A 14 5.394 3.849 10.201 1.00 0.00 N ATOM 436 C5 DG A 14 4.309 4.121 9.371 1.00 0.00 C ATOM 437 C6 DG A 14 2.930 4.250 9.688 1.00 0.00 C ATOM 438 O6 DG A 14 2.388 4.154 10.787 1.00 0.00 O ATOM 439 N1 DG A 14 2.172 4.523 8.557 1.00 0.00 N ATOM 440 C2 DG A 14 2.675 4.656 7.278 1.00 0.00 C ATOM 441 N2 DG A 14 1.788 4.910 6.317 1.00 0.00 N ATOM 442 N3 DG A 14 3.972 4.537 6.978 1.00 0.00 N ATOM 443 C4 DG A 14 4.727 4.271 8.068 1.00 0.00 C ATOM 0 H5' DG A 14 9.466 1.147 7.944 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.424 2.526 8.447 1.00 0.00 H new ATOM 0 H4' DG A 14 9.541 2.502 6.063 1.00 0.00 H new ATOM 0 H3' DG A 14 10.046 4.688 7.733 1.00 0.00 H new ATOM 0 H2' DG A 14 7.995 5.750 7.961 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.974 5.954 6.221 1.00 0.00 H new ATOM 0 H1' DG A 14 6.365 4.437 6.043 1.00 0.00 H new ATOM 0 H8 DG A 14 7.414 3.664 9.708 1.00 0.00 H new ATOM 0 H1 DG A 14 1.166 4.634 8.681 1.00 0.00 H new ATOM 0 H21 DG A 14 2.099 5.019 5.352 1.00 0.00 H new ATOM 0 H22 DG A 14 0.798 4.996 6.547 1.00 0.00 H new ATOM 455 P DC A 15 11.611 4.962 5.590 1.00 0.00 P ATOM 456 OP1 DC A 15 12.058 5.683 6.801 1.00 0.00 O ATOM 457 OP2 DC A 15 11.946 5.491 4.250 1.00 0.00 O ATOM 458 O5' DC A 15 12.143 3.445 5.678 1.00 0.00 O ATOM 459 C5' DC A 15 12.773 2.837 4.548 1.00 0.00 C ATOM 460 C4' DC A 15 13.501 1.555 4.935 1.00 0.00 C ATOM 461 O4' DC A 15 14.527 1.862 5.884 1.00 0.00 O ATOM 462 C3' DC A 15 12.601 0.503 5.567 1.00 0.00 C ATOM 463 O3' DC A 15 13.086 -0.802 5.240 1.00 0.00 O ATOM 464 C2' DC A 15 12.770 0.746 7.055 1.00 0.00 C ATOM 465 C1' DC A 15 14.190 1.289 7.155 1.00 0.00 C ATOM 466 N1 DC A 15 14.367 2.334 8.180 1.00 0.00 N ATOM 467 C2 DC A 15 14.667 1.918 9.465 1.00 0.00 C ATOM 468 O2 DC A 15 14.767 0.718 9.715 1.00 0.00 O ATOM 469 N3 DC A 15 14.844 2.863 10.428 1.00 0.00 N ATOM 470 C4 DC A 15 14.731 4.165 10.141 1.00 0.00 C ATOM 471 N4 DC A 15 14.911 5.064 11.110 1.00 0.00 N ATOM 472 C5 DC A 15 14.419 4.603 8.815 1.00 0.00 C ATOM 473 C6 DC A 15 14.247 3.659 7.869 1.00 0.00 C ATOM 0 H5' DC A 15 13.480 3.538 4.104 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.024 2.616 3.788 1.00 0.00 H new ATOM 0 H4' DC A 15 13.897 1.145 4.006 1.00 0.00 H new ATOM 0 H3' DC A 15 11.565 0.564 5.232 1.00 0.00 H new ATOM 0 H2' DC A 15 12.038 1.459 7.433 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.647 -0.172 7.630 1.00 0.00 H new ATOM 0 H1' DC A 15 14.831 0.454 7.440 1.00 0.00 H new ATOM 0 H41 DC A 15 14.828 6.059 10.904 1.00 0.00 H new ATOM 0 H42 DC A 15 15.132 4.756 12.057 1.00 0.00 H new ATOM 0 H5 DC A 15 14.325 5.653 8.581 1.00 0.00 H new ATOM 0 H6 DC A 15 14.012 3.952 6.856 1.00 0.00 H new ATOM 485 P DG A 16 12.574 -1.557 3.915 1.00 0.00 P ATOM 486 OP1 DG A 16 13.083 -2.947 3.951 1.00 0.00 O ATOM 487 OP2 DG A 16 12.866 -0.694 2.749 1.00 0.00 O ATOM 488 O5' DG A 16 10.977 -1.601 4.129 1.00 0.00 O ATOM 489 C5' DG A 16 10.414 -2.192 5.305 1.00 0.00 C ATOM 490 C4' DG A 16 8.890 -2.121 5.300 1.00 0.00 C ATOM 491 O4' DG A 16 8.506 -0.744 5.228 1.00 0.00 O ATOM 492 C3' DG A 16 8.249 -2.852 4.127 1.00 0.00 C ATOM 493 O3' DG A 16 7.104 -3.576 4.588 1.00 0.00 O ATOM 494 C2' DG A 16 7.805 -1.758 3.161 1.00 0.00 C ATOM 495 C1' DG A 16 7.969 -0.453 3.935 1.00 0.00 C ATOM 496 N9 DG A 16 8.878 0.509 3.287 1.00 0.00 N ATOM 497 C8 DG A 16 10.074 0.281 2.670 1.00 0.00 C ATOM 498 N7 DG A 16 10.650 1.334 2.173 1.00 0.00 N ATOM 499 C5 DG A 16 9.761 2.361 2.485 1.00 0.00 C ATOM 500 C6 DG A 16 9.841 3.751 2.204 1.00 0.00 C ATOM 501 O6 DG A 16 10.728 4.359 1.606 1.00 0.00 O ATOM 502 N1 DG A 16 8.738 4.436 2.697 1.00 0.00 N ATOM 503 C2 DG A 16 7.686 3.857 3.379 1.00 0.00 C ATOM 504 N2 DG A 16 6.719 4.682 3.783 1.00 0.00 N ATOM 505 N3 DG A 16 7.606 2.549 3.642 1.00 0.00 N ATOM 506 C4 DG A 16 8.673 1.865 3.169 1.00 0.00 C ATOM 0 H5' DG A 16 10.799 -1.682 6.188 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.729 -3.233 5.375 1.00 0.00 H new ATOM 0 H4' DG A 16 8.544 -2.607 6.212 1.00 0.00 H new ATOM 0 H3' DG A 16 8.934 -3.558 3.658 1.00 0.00 H new ATOM 0 H2' DG A 16 8.414 -1.759 2.257 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.771 -1.904 2.849 1.00 0.00 H new ATOM 0 H1' DG A 16 6.979 0.001 3.983 1.00 0.00 H new ATOM 0 H8 DG A 16 10.510 -0.704 2.600 1.00 0.00 H new ATOM 0 H1 DG A 16 8.702 5.444 2.544 1.00 0.00 H new ATOM 0 H21 DG A 16 5.915 4.315 4.292 1.00 0.00 H new ATOM 0 H22 DG A 16 6.784 5.680 3.583 1.00 0.00 H new ATOM 518 P DG A 17 7.175 -5.170 4.817 1.00 0.00 P ATOM 519 OP1 DG A 17 5.911 -5.605 5.452 1.00 0.00 O ATOM 520 OP2 DG A 17 8.474 -5.490 5.456 1.00 0.00 O ATOM 521 O5' DG A 17 7.194 -5.736 3.307 1.00 0.00 O ATOM 522 C5' DG A 17 7.969 -6.889 2.978 1.00 0.00 C ATOM 523 C4' DG A 17 8.338 -6.918 1.495 1.00 0.00 C ATOM 524 O4' DG A 17 7.253 -7.447 0.708 1.00 0.00 O ATOM 525 C3' DG A 17 8.690 -5.552 0.908 1.00 0.00 C ATOM 526 O3' DG A 17 10.117 -5.403 0.880 1.00 0.00 O ATOM 527 C2' DG A 17 8.148 -5.577 -0.523 1.00 0.00 C ATOM 528 C1' DG A 17 7.349 -6.882 -0.598 1.00 0.00 C ATOM 529 N9 DG A 17 5.982 -6.702 -1.108 1.00 0.00 N ATOM 530 C8 DG A 17 5.576 -6.518 -2.393 1.00 0.00 C ATOM 531 N7 DG A 17 4.296 -6.379 -2.556 1.00 0.00 N ATOM 532 C5 DG A 17 3.798 -6.480 -1.257 1.00 0.00 C ATOM 533 C6 DG A 17 2.459 -6.408 -0.787 1.00 0.00 C ATOM 534 O6 DG A 17 1.430 -6.239 -1.438 1.00 0.00 O ATOM 535 N1 DG A 17 2.393 -6.557 0.592 1.00 0.00 N ATOM 536 C2 DG A 17 3.479 -6.750 1.419 1.00 0.00 C ATOM 537 N2 DG A 17 3.216 -6.863 2.720 1.00 0.00 N ATOM 538 N3 DG A 17 4.742 -6.822 0.981 1.00 0.00 N ATOM 539 C4 DG A 17 4.825 -6.678 -0.362 1.00 0.00 C ATOM 0 H5' DG A 17 7.408 -7.789 3.231 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.878 -6.900 3.579 1.00 0.00 H new ATOM 0 H4' DG A 17 9.224 -7.551 1.449 1.00 0.00 H new ATOM 0 H3' DG A 17 8.272 -4.730 1.489 1.00 0.00 H new ATOM 0 H2' DG A 17 7.517 -4.711 -0.725 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.955 -5.561 -1.255 1.00 0.00 H new ATOM 0 H1' DG A 17 7.883 -7.531 -1.292 1.00 0.00 H new ATOM 0 H8 DG A 17 6.270 -6.490 -3.220 1.00 0.00 H new ATOM 0 H1 DG A 17 1.471 -6.521 1.026 1.00 0.00 H new ATOM 0 H21 DG A 17 3.977 -7.007 3.384 1.00 0.00 H new ATOM 0 H22 DG A 17 2.253 -6.805 3.053 1.00 0.00 H new ATOM 551 P DG A 18 10.800 -4.013 1.321 1.00 0.00 P ATOM 552 OP1 DG A 18 12.266 -4.150 1.170 1.00 0.00 O ATOM 553 OP2 DG A 18 10.226 -3.616 2.626 1.00 0.00 O ATOM 554 O5' DG A 18 10.267 -2.996 0.188 1.00 0.00 O ATOM 555 C5' DG A 18 10.718 -3.129 -1.164 1.00 0.00 C ATOM 556 C4' DG A 18 9.770 -2.458 -2.155 1.00 0.00 C ATOM 557 O4' DG A 18 8.490 -3.061 -2.078 1.00 0.00 O ATOM 558 C3' DG A 18 9.556 -0.983 -1.903 1.00 0.00 C ATOM 559 O3' DG A 18 10.558 -0.227 -2.582 1.00 0.00 O ATOM 560 C2' DG A 18 8.192 -0.727 -2.534 1.00 0.00 C ATOM 561 C1' DG A 18 7.528 -2.105 -2.551 1.00 0.00 C ATOM 562 N9 DG A 18 6.329 -2.188 -1.693 1.00 0.00 N ATOM 563 C8 DG A 18 6.235 -2.484 -0.363 1.00 0.00 C ATOM 564 N7 DG A 18 5.030 -2.447 0.127 1.00 0.00 N ATOM 565 C5 DG A 18 4.248 -2.096 -0.973 1.00 0.00 C ATOM 566 C6 DG A 18 2.843 -1.899 -1.070 1.00 0.00 C ATOM 567 O6 DG A 18 1.996 -1.996 -0.183 1.00 0.00 O ATOM 568 N1 DG A 18 2.464 -1.556 -2.362 1.00 0.00 N ATOM 569 C2 DG A 18 3.328 -1.418 -3.430 1.00 0.00 C ATOM 570 N2 DG A 18 2.779 -1.090 -4.598 1.00 0.00 N ATOM 571 N3 DG A 18 4.648 -1.600 -3.341 1.00 0.00 N ATOM 572 C4 DG A 18 5.037 -1.936 -2.091 1.00 0.00 C ATOM 0 H5' DG A 18 10.812 -4.186 -1.412 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.711 -2.690 -1.259 1.00 0.00 H new ATOM 0 H4' DG A 18 10.244 -2.582 -3.129 1.00 0.00 H new ATOM 0 H3' DG A 18 9.607 -0.706 -0.850 1.00 0.00 H new ATOM 0 H2' DG A 18 7.611 -0.011 -1.952 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.288 -0.318 -3.540 1.00 0.00 H new ATOM 0 H1' DG A 18 7.204 -2.304 -3.573 1.00 0.00 H new ATOM 0 H8 DG A 18 7.098 -2.731 0.238 1.00 0.00 H new ATOM 0 H1 DG A 18 1.472 -1.394 -2.535 1.00 0.00 H new ATOM 0 H21 DG A 18 3.367 -0.974 -5.423 1.00 0.00 H new ATOM 0 H22 DG A 18 1.770 -0.955 -4.667 1.00 0.00 H new ATOM 584 P DG A 19 10.820 1.306 -2.180 1.00 0.00 P ATOM 585 OP1 DG A 19 12.077 1.748 -2.822 1.00 0.00 O ATOM 586 OP2 DG A 19 10.661 1.427 -0.712 1.00 0.00 O ATOM 587 O5' DG A 19 9.589 2.068 -2.891 1.00 0.00 O ATOM 588 C5' DG A 19 9.499 2.116 -4.320 1.00 0.00 C ATOM 589 C4' DG A 19 8.171 2.702 -4.798 1.00 0.00 C ATOM 590 O4' DG A 19 7.083 1.923 -4.316 1.00 0.00 O ATOM 591 C3' DG A 19 7.909 4.116 -4.332 1.00 0.00 C ATOM 592 O3' DG A 19 8.494 5.054 -5.241 1.00 0.00 O ATOM 593 C2' DG A 19 6.390 4.214 -4.395 1.00 0.00 C ATOM 594 C1' DG A 19 5.921 2.767 -4.247 1.00 0.00 C ATOM 595 N9 DG A 19 5.231 2.500 -2.971 1.00 0.00 N ATOM 596 C8 DG A 19 5.754 2.123 -1.767 1.00 0.00 C ATOM 597 N7 DG A 19 4.890 1.994 -0.806 1.00 0.00 N ATOM 598 C5 DG A 19 3.679 2.312 -1.419 1.00 0.00 C ATOM 599 C6 DG A 19 2.365 2.349 -0.878 1.00 0.00 C ATOM 600 O6 DG A 19 2.006 2.108 0.272 1.00 0.00 O ATOM 601 N1 DG A 19 1.430 2.715 -1.838 1.00 0.00 N ATOM 602 C2 DG A 19 1.720 3.010 -3.155 1.00 0.00 C ATOM 603 N2 DG A 19 0.688 3.335 -3.931 1.00 0.00 N ATOM 604 N3 DG A 19 2.954 2.978 -3.665 1.00 0.00 N ATOM 605 C4 DG A 19 3.880 2.622 -2.745 1.00 0.00 C ATOM 0 H5' DG A 19 9.616 1.110 -4.723 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.320 2.715 -4.714 1.00 0.00 H new ATOM 0 H4' DG A 19 8.249 2.697 -5.885 1.00 0.00 H new ATOM 0 H3' DG A 19 8.324 4.332 -3.347 1.00 0.00 H new ATOM 0 H2' DG A 19 5.997 4.845 -3.598 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.057 4.647 -5.338 1.00 0.00 H new ATOM 0 H1' DG A 19 5.205 2.569 -5.044 1.00 0.00 H new ATOM 0 H8 DG A 19 6.810 1.945 -1.624 1.00 0.00 H new ATOM 0 H1 DG A 19 0.454 2.770 -1.547 1.00 0.00 H new ATOM 0 H21 DG A 19 0.841 3.563 -4.913 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.255 3.356 -3.543 1.00 0.00 H new ATOM 617 P DT A 20 8.997 6.484 -4.702 1.00 0.00 P ATOM 618 OP1 DT A 20 9.623 7.217 -5.828 1.00 0.00 O ATOM 619 OP2 DT A 20 9.755 6.261 -3.453 1.00 0.00 O ATOM 620 O5' DT A 20 7.616 7.220 -4.328 1.00 0.00 O ATOM 621 C5' DT A 20 6.668 7.523 -5.350 1.00 0.00 C ATOM 622 C4' DT A 20 5.328 7.981 -4.771 1.00 0.00 C ATOM 623 O4' DT A 20 4.867 7.032 -3.791 1.00 0.00 O ATOM 624 C3' DT A 20 5.380 9.327 -4.061 1.00 0.00 C ATOM 625 O3' DT A 20 5.210 10.424 -4.968 1.00 0.00 O ATOM 626 C2' DT A 20 4.210 9.204 -3.099 1.00 0.00 C ATOM 627 C1' DT A 20 4.347 7.756 -2.664 1.00 0.00 C ATOM 628 N1 DT A 20 5.284 7.572 -1.547 1.00 0.00 N ATOM 629 C2 DT A 20 4.782 7.704 -0.270 1.00 0.00 C ATOM 630 O2 DT A 20 3.591 7.919 -0.055 1.00 0.00 O ATOM 631 N3 DT A 20 5.698 7.576 0.755 1.00 0.00 N ATOM 632 C4 DT A 20 7.053 7.329 0.612 1.00 0.00 C ATOM 633 O4 DT A 20 7.782 7.241 1.596 1.00 0.00 O ATOM 634 C5 DT A 20 7.484 7.203 -0.764 1.00 0.00 C ATOM 635 C7 DT A 20 8.955 6.941 -1.070 1.00 0.00 C ATOM 636 C6 DT A 20 6.608 7.324 -1.779 1.00 0.00 C ATOM 0 H5' DT A 20 6.512 6.642 -5.972 1.00 0.00 H new ATOM 0 H5'' DT A 20 7.069 8.303 -5.997 1.00 0.00 H new ATOM 0 H4' DT A 20 4.666 8.065 -5.633 1.00 0.00 H new ATOM 0 H3' DT A 20 6.335 9.534 -3.579 1.00 0.00 H new ATOM 0 H2' DT A 20 4.290 9.896 -2.261 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.254 9.401 -3.584 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.248 11.268 -4.471 1.00 0.00 H new ATOM 0 H1' DT A 20 3.370 7.407 -2.330 1.00 0.00 H new ATOM 0 H3 DT A 20 5.344 7.672 1.707 1.00 0.00 H new ATOM 0 H71 DT A 20 9.574 7.387 -0.291 1.00 0.00 H new ATOM 0 H72 DT A 20 9.134 5.866 -1.104 1.00 0.00 H new ATOM 0 H73 DT A 20 9.210 7.382 -2.033 1.00 0.00 H new ATOM 0 H6 DT A 20 6.958 7.223 -2.796 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 0.013 5.702 1.018 1.00 0.00 C HETATM 652 C2 BER A 101 -1.313 5.917 0.660 1.00 0.00 C HETATM 653 N1 BER A 101 0.331 5.574 2.314 1.00 0.00 N HETATM 654 C3 BER A 101 0.990 5.620 0.034 1.00 0.00 C HETATM 655 C4 BER A 101 -2.288 6.050 1.637 1.00 0.00 C HETATM 656 C5 BER A 101 -1.678 6.089 -0.669 1.00 0.00 C HETATM 657 C6 BER A 101 1.660 5.340 2.693 1.00 0.00 C HETATM 658 C7 BER A 101 -0.737 5.309 3.306 1.00 0.00 C HETATM 659 C8 BER A 101 2.314 5.390 0.383 1.00 0.00 C HETATM 660 C9 BER A 101 -3.580 6.359 1.229 1.00 0.00 C HETATM 661 C10 BER A 101 -1.922 6.219 2.969 1.00 0.00 C HETATM 662 C11 BER A 101 -2.928 6.407 -0.996 1.00 0.00 C HETATM 663 C12 BER A 101 2.651 5.236 1.723 1.00 0.00 C HETATM 664 C13 BER A 101 3.266 5.188 -0.610 1.00 0.00 C HETATM 665 C14 BER A 101 -3.864 6.544 -0.059 1.00 0.00 C HETATM 666 O1 BER A 101 -3.438 6.665 -2.229 1.00 0.00 O HETATM 667 C15 BER A 101 3.957 4.915 2.077 1.00 0.00 C HETATM 668 C16 BER A 101 4.571 4.866 -0.263 1.00 0.00 C HETATM 669 O2 BER A 101 -5.057 6.888 -0.617 1.00 0.00 O HETATM 670 C17 BER A 101 -4.858 6.719 -2.029 1.00 0.00 C HETATM 671 C18 BER A 101 4.913 4.756 1.080 1.00 0.00 C HETATM 672 O3 BER A 101 4.290 4.719 3.381 1.00 0.00 O HETATM 673 O4 BER A 101 6.200 4.574 1.485 1.00 0.00 O HETATM 674 C19 BER A 101 4.254 5.964 4.083 1.00 0.00 C HETATM 675 C20 BER A 101 7.010 4.224 0.361 1.00 0.00 C HETATM 0 H203 BER A 101 6.636 3.302 -0.084 1.00 0.00 H new HETATM 0 H202 BER A 101 6.972 5.024 -0.378 1.00 0.00 H new HETATM 0 H201 BER A 101 8.040 4.079 0.686 1.00 0.00 H new HETATM 0 H193 BER A 101 4.963 6.657 3.631 1.00 0.00 H new HETATM 0 H192 BER A 101 3.250 6.384 4.027 1.00 0.00 H new HETATM 0 H191 BER A 101 4.522 5.801 5.127 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.298 7.546 -2.586 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.336 5.806 -2.383 1.00 0.00 H new HETATM 0 H161 BER A 101 5.321 4.701 -1.037 1.00 0.00 H new HETATM 0 H131 BER A 101 2.988 5.282 -1.660 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.655 7.260 3.152 1.00 0.00 H new HETATM 0 H101 BER A 101 -2.766 5.987 3.619 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.371 6.451 1.973 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.038 4.262 3.274 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.378 5.507 4.316 1.00 0.00 H new HETATM 0 H61 BER A 101 1.917 5.240 3.748 1.00 0.00 H new HETATM 0 H51 BER A 101 -0.932 5.962 -1.453 1.00 0.00 H new HETATM 0 H31 BER A 101 0.717 5.737 -1.015 1.00 0.00 H new