USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 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 -134:sc= 0.745 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.00926) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.533 (180deg=-2.54) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0145 (180deg=-0.0145) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.0129 (180deg=-0.544) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.156 2.426 -11.702 1.00 0.54 O ATOM 2 C5' DG A 1 9.166 2.373 -13.116 1.00 0.40 C ATOM 3 C4' DG A 1 9.428 0.963 -13.636 1.00 0.24 C ATOM 4 O4' DG A 1 10.723 0.456 -13.197 1.00 0.22 O ATOM 5 C3' DG A 1 8.393 -0.041 -13.131 1.00 0.23 C ATOM 6 O3' DG A 1 8.074 -1.055 -14.084 1.00 0.19 O ATOM 7 C2' DG A 1 9.245 -0.628 -12.016 1.00 0.21 C ATOM 8 C1' DG A 1 10.587 -0.864 -12.646 1.00 0.19 C ATOM 9 N9 DG A 1 11.663 -1.257 -11.710 1.00 0.18 N ATOM 10 C8 DG A 1 13.024 -1.291 -11.888 1.00 0.24 C ATOM 11 N7 DG A 1 13.678 -1.682 -10.835 1.00 0.24 N ATOM 12 C5 DG A 1 12.698 -1.930 -9.887 1.00 0.17 C ATOM 13 C6 DG A 1 12.810 -2.384 -8.537 1.00 0.15 C ATOM 14 O6 DG A 1 13.837 -2.626 -7.898 1.00 0.18 O ATOM 15 N1 DG A 1 11.567 -2.495 -7.956 1.00 0.14 N ATOM 16 C2 DG A 1 10.379 -2.215 -8.578 1.00 0.15 C ATOM 17 N2 DG A 1 9.251 -2.361 -7.938 1.00 0.20 N ATOM 18 N3 DG A 1 10.278 -1.795 -9.816 1.00 0.14 N ATOM 19 C4 DG A 1 11.468 -1.675 -10.417 1.00 0.14 C ATOM 0 H5' DG A 1 9.932 3.048 -13.498 1.00 0.40 H new ATOM 0 H5'' DG A 1 8.209 2.728 -13.498 1.00 0.40 H new ATOM 0 H4' DG A 1 9.385 1.053 -14.721 1.00 0.24 H new ATOM 0 H3' DG A 1 7.420 0.380 -12.877 1.00 0.23 H new ATOM 0 H2' DG A 1 9.319 0.057 -11.172 1.00 0.21 H new ATOM 0 H2'' DG A 1 8.817 -1.556 -11.637 1.00 0.21 H new ATOM 0 HO5' DG A 1 8.384 2.949 -11.400 1.00 0.54 H new ATOM 0 H1' DG A 1 10.661 -1.703 -13.338 1.00 0.19 H new ATOM 0 H8 DG A 1 13.506 -1.019 -12.815 1.00 0.24 H new ATOM 0 H1 DG A 1 11.527 -2.810 -6.987 1.00 0.14 H new ATOM 0 H21 DG A 1 8.369 -2.151 -8.405 1.00 0.20 H new ATOM 0 H22 DG A 1 9.252 -2.685 -6.971 1.00 0.20 H new ATOM 32 P DG A 2 7.148 -2.329 -13.772 1.00 0.28 P ATOM 33 OP1 DG A 2 6.446 -2.721 -15.002 1.00 0.42 O ATOM 34 OP2 DG A 2 6.373 -2.060 -12.555 1.00 0.38 O ATOM 35 O5' DG A 2 8.216 -3.498 -13.448 1.00 0.27 O ATOM 36 C5' DG A 2 9.130 -3.984 -14.457 1.00 0.29 C ATOM 37 C4' DG A 2 9.958 -5.174 -13.967 1.00 0.23 C ATOM 38 O4' DG A 2 10.709 -4.839 -12.743 1.00 0.28 O ATOM 39 C3' DG A 2 9.038 -6.402 -13.629 1.00 0.21 C ATOM 40 O3' DG A 2 9.579 -7.711 -13.944 1.00 0.24 O ATOM 41 C2' DG A 2 8.942 -6.101 -12.184 1.00 0.19 C ATOM 42 C1' DG A 2 10.365 -5.803 -11.757 1.00 0.20 C ATOM 43 N9 DG A 2 10.626 -5.625 -10.315 1.00 0.18 N ATOM 44 C8 DG A 2 9.760 -5.408 -9.278 1.00 0.21 C ATOM 45 N7 DG A 2 10.326 -5.346 -8.120 1.00 0.20 N ATOM 46 C5 DG A 2 11.652 -5.538 -8.373 1.00 0.15 C ATOM 47 C6 DG A 2 12.703 -5.566 -7.437 1.00 0.13 C ATOM 48 O6 DG A 2 12.604 -5.432 -6.217 1.00 0.18 O ATOM 49 N1 DG A 2 13.910 -5.784 -8.049 1.00 0.16 N ATOM 50 C2 DG A 2 14.083 -5.947 -9.397 1.00 0.17 C ATOM 51 N2 DG A 2 15.325 -6.142 -9.831 1.00 0.24 N ATOM 52 N3 DG A 2 13.077 -5.926 -10.286 1.00 0.18 N ATOM 53 C4 DG A 2 11.875 -5.714 -9.708 1.00 0.15 C ATOM 0 H5' DG A 2 9.799 -3.177 -14.756 1.00 0.29 H new ATOM 0 H5'' DG A 2 8.567 -4.277 -15.343 1.00 0.29 H new ATOM 0 H4' DG A 2 10.646 -5.423 -14.775 1.00 0.23 H new ATOM 0 H3' DG A 2 8.110 -6.488 -14.195 1.00 0.21 H new ATOM 0 H2' DG A 2 8.287 -5.250 -12.000 1.00 0.19 H new ATOM 0 H2'' DG A 2 8.531 -6.945 -11.630 1.00 0.19 H new ATOM 0 H1' DG A 2 11.078 -6.628 -11.759 1.00 0.20 H new ATOM 0 H8 DG A 2 8.695 -5.298 -9.417 1.00 0.21 H new ATOM 0 H1 DG A 2 14.739 -5.828 -7.457 1.00 0.16 H new ATOM 0 H21 DG A 2 15.503 -6.269 -10.827 1.00 0.24 H new ATOM 0 H22 DG A 2 16.099 -6.165 -9.167 1.00 0.24 H new ATOM 65 P DT A 3 9.768 -8.987 -12.938 1.00 0.20 P ATOM 66 OP1 DT A 3 10.816 -8.672 -11.941 1.00 0.24 O ATOM 67 OP2 DT A 3 9.894 -10.225 -13.750 1.00 0.24 O ATOM 68 O5' DT A 3 8.365 -9.052 -12.132 1.00 0.17 O ATOM 69 C5' DT A 3 7.376 -10.080 -12.326 1.00 0.25 C ATOM 70 C4' DT A 3 5.967 -9.528 -12.567 1.00 0.26 C ATOM 71 O4' DT A 3 5.956 -8.666 -13.762 1.00 0.28 O ATOM 72 C3' DT A 3 5.363 -8.720 -11.372 1.00 0.25 C ATOM 73 O3' DT A 3 6.335 -7.990 -10.640 1.00 0.19 O ATOM 74 C2' DT A 3 4.633 -7.681 -12.251 1.00 0.29 C ATOM 75 C1' DT A 3 5.617 -7.307 -13.370 1.00 0.23 C ATOM 76 N1 DT A 3 5.056 -6.401 -14.392 1.00 0.29 N ATOM 77 C2 DT A 3 4.878 -5.111 -14.083 1.00 0.31 C ATOM 78 O2 DT A 3 5.092 -4.657 -12.987 1.00 0.49 O ATOM 79 N3 DT A 3 4.395 -4.355 -15.110 1.00 0.33 N ATOM 80 C4 DT A 3 4.062 -4.697 -16.362 1.00 0.40 C ATOM 81 O4 DT A 3 3.655 -3.852 -17.146 1.00 0.44 O ATOM 82 C5 DT A 3 4.261 -6.041 -16.606 1.00 0.52 C ATOM 83 C7 DT A 3 3.911 -6.574 -17.941 1.00 0.77 C ATOM 84 C6 DT A 3 4.741 -6.831 -15.637 1.00 0.46 C ATOM 0 H5' DT A 3 7.360 -10.729 -11.450 1.00 0.25 H new ATOM 0 H5'' DT A 3 7.667 -10.698 -13.175 1.00 0.25 H new ATOM 0 H4' DT A 3 5.341 -10.411 -12.698 1.00 0.26 H new ATOM 0 H3' DT A 3 4.826 -9.322 -10.639 1.00 0.25 H new ATOM 0 H2' DT A 3 3.713 -8.096 -12.663 1.00 0.29 H new ATOM 0 H2'' DT A 3 4.354 -6.804 -11.668 1.00 0.29 H new ATOM 0 H1' DT A 3 6.478 -6.690 -13.115 1.00 0.23 H new ATOM 0 H3 DT A 3 4.266 -3.368 -14.889 1.00 0.33 H new ATOM 0 H71 DT A 3 3.089 -5.994 -18.360 1.00 0.77 H new ATOM 0 H72 DT A 3 4.777 -6.504 -18.599 1.00 0.77 H new ATOM 0 H73 DT A 3 3.609 -7.617 -17.848 1.00 0.77 H new ATOM 0 H6 DT A 3 4.886 -7.877 -15.863 1.00 0.46 H new ATOM 97 P DT A 4 5.948 -7.045 -9.379 1.00 0.23 P ATOM 98 OP1 DT A 4 4.566 -6.541 -9.534 1.00 0.32 O ATOM 99 OP2 DT A 4 7.050 -6.089 -9.203 1.00 0.23 O ATOM 100 O5' DT A 4 5.988 -8.104 -8.170 1.00 0.25 O ATOM 101 C5' DT A 4 5.116 -9.236 -8.123 1.00 0.22 C ATOM 102 C4' DT A 4 5.130 -9.987 -6.758 1.00 0.23 C ATOM 103 O4' DT A 4 6.431 -10.489 -6.424 1.00 0.27 O ATOM 104 C3' DT A 4 4.714 -9.121 -5.560 1.00 0.26 C ATOM 105 O3' DT A 4 4.322 -9.940 -4.462 1.00 0.36 O ATOM 106 C2' DT A 4 6.129 -8.568 -5.281 1.00 0.19 C ATOM 107 C1' DT A 4 7.087 -9.758 -5.350 1.00 0.22 C ATOM 108 N1 DT A 4 8.509 -9.425 -5.647 1.00 0.19 N ATOM 109 C2 DT A 4 9.355 -9.308 -4.556 1.00 0.24 C ATOM 110 O2 DT A 4 8.957 -9.382 -3.406 1.00 0.30 O ATOM 111 N3 DT A 4 10.674 -9.084 -4.833 1.00 0.26 N ATOM 112 C4 DT A 4 11.250 -8.960 -6.077 1.00 0.24 C ATOM 113 O4 DT A 4 12.480 -8.806 -6.170 1.00 0.29 O ATOM 114 C5 DT A 4 10.301 -9.079 -7.179 1.00 0.21 C ATOM 115 C7 DT A 4 10.806 -8.930 -8.609 1.00 0.26 C ATOM 116 C6 DT A 4 9.004 -9.299 -6.943 1.00 0.18 C ATOM 0 H5' DT A 4 5.398 -9.932 -8.913 1.00 0.22 H new ATOM 0 H5'' DT A 4 4.099 -8.908 -8.336 1.00 0.22 H new ATOM 0 H4' DT A 4 4.408 -10.788 -6.916 1.00 0.23 H new ATOM 0 H3' DT A 4 3.894 -8.419 -5.714 1.00 0.26 H new ATOM 0 H2' DT A 4 6.400 -7.810 -6.016 1.00 0.19 H new ATOM 0 H2'' DT A 4 6.172 -8.092 -4.301 1.00 0.19 H new ATOM 0 H1' DT A 4 7.217 -10.287 -4.406 1.00 0.22 H new ATOM 0 H3 DT A 4 11.299 -9.000 -4.032 1.00 0.26 H new ATOM 0 H71 DT A 4 11.664 -8.258 -8.624 1.00 0.26 H new ATOM 0 H72 DT A 4 11.103 -9.906 -8.993 1.00 0.26 H new ATOM 0 H73 DT A 4 10.013 -8.520 -9.234 1.00 0.26 H new ATOM 0 H6 DT A 4 8.323 -9.381 -7.777 1.00 0.18 H new ATOM 129 P DG A 5 3.242 -9.531 -3.348 1.00 0.45 P ATOM 130 OP1 DG A 5 2.880 -10.703 -2.617 1.00 0.74 O ATOM 131 OP2 DG A 5 2.230 -8.785 -4.014 1.00 0.68 O ATOM 132 O5' DG A 5 3.952 -8.569 -2.331 1.00 0.29 O ATOM 133 C5' DG A 5 3.293 -7.746 -1.362 1.00 0.26 C ATOM 134 C4' DG A 5 3.814 -6.321 -1.441 1.00 0.19 C ATOM 135 O4' DG A 5 5.229 -6.258 -1.120 1.00 0.24 O ATOM 136 C3' DG A 5 3.562 -5.644 -2.818 1.00 0.22 C ATOM 137 O3' DG A 5 3.356 -4.227 -2.662 1.00 0.25 O ATOM 138 C2' DG A 5 5.011 -5.846 -3.343 1.00 0.24 C ATOM 139 C1' DG A 5 5.898 -5.483 -2.127 1.00 0.18 C ATOM 140 N9 DG A 5 7.294 -5.837 -2.345 1.00 0.21 N ATOM 141 C8 DG A 5 8.206 -6.342 -1.447 1.00 0.22 C ATOM 142 N7 DG A 5 9.384 -6.538 -1.989 1.00 0.23 N ATOM 143 C5 DG A 5 9.236 -6.139 -3.321 1.00 0.21 C ATOM 144 C6 DG A 5 10.181 -6.127 -4.386 1.00 0.21 C ATOM 145 O6 DG A 5 11.311 -6.526 -4.388 1.00 0.22 O ATOM 146 N1 DG A 5 9.604 -5.643 -5.548 1.00 0.18 N ATOM 147 C2 DG A 5 8.319 -5.242 -5.648 1.00 0.19 C ATOM 148 N2 DG A 5 7.894 -4.779 -6.839 1.00 0.23 N ATOM 149 N3 DG A 5 7.428 -5.249 -4.680 1.00 0.18 N ATOM 150 C4 DG A 5 7.948 -5.703 -3.539 1.00 0.19 C ATOM 0 H5' DG A 5 3.458 -8.146 -0.362 1.00 0.26 H new ATOM 0 H5'' DG A 5 2.217 -7.758 -1.536 1.00 0.26 H new ATOM 0 H4' DG A 5 3.244 -5.764 -0.697 1.00 0.19 H new ATOM 0 H3' DG A 5 2.718 -6.015 -3.400 1.00 0.22 H new ATOM 0 H2' DG A 5 5.179 -6.873 -3.669 1.00 0.24 H new ATOM 0 H2'' DG A 5 5.220 -5.202 -4.197 1.00 0.24 H new ATOM 0 H1' DG A 5 5.982 -4.424 -1.884 1.00 0.18 H new ATOM 0 H8 DG A 5 7.978 -6.553 -0.413 1.00 0.22 H new ATOM 0 H1 DG A 5 10.188 -5.586 -6.382 1.00 0.18 H new ATOM 0 H21 DG A 5 6.929 -4.468 -6.950 1.00 0.23 H new ATOM 0 H22 DG A 5 8.537 -4.740 -7.630 1.00 0.23 H new ATOM 162 P DG A 6 2.888 -3.299 -3.894 1.00 0.22 P ATOM 163 OP1 DG A 6 1.637 -3.847 -4.462 1.00 0.27 O ATOM 164 OP2 DG A 6 4.012 -2.989 -4.789 1.00 0.25 O ATOM 165 O5' DG A 6 2.530 -1.925 -3.097 1.00 0.27 O ATOM 166 C5' DG A 6 3.417 -0.960 -2.494 1.00 0.21 C ATOM 167 C4' DG A 6 4.533 -1.592 -1.634 1.00 0.18 C ATOM 168 O4' DG A 6 5.424 -2.383 -2.471 1.00 0.18 O ATOM 169 C3' DG A 6 5.418 -0.499 -0.935 1.00 0.18 C ATOM 170 O3' DG A 6 5.907 -0.846 0.347 1.00 0.24 O ATOM 171 C2' DG A 6 6.610 -0.563 -1.856 1.00 0.19 C ATOM 172 C1' DG A 6 6.788 -2.059 -2.145 1.00 0.17 C ATOM 173 N9 DG A 6 7.750 -2.302 -3.216 1.00 0.15 N ATOM 174 C8 DG A 6 7.576 -2.335 -4.575 1.00 0.20 C ATOM 175 N7 DG A 6 8.700 -2.515 -5.219 1.00 0.21 N ATOM 176 C5 DG A 6 9.672 -2.617 -4.250 1.00 0.16 C ATOM 177 C6 DG A 6 11.064 -2.823 -4.396 1.00 0.16 C ATOM 178 O6 DG A 6 11.696 -2.999 -5.438 1.00 0.19 O ATOM 179 N1 DG A 6 11.693 -2.865 -3.174 1.00 0.13 N ATOM 180 C2 DG A 6 11.054 -2.724 -1.979 1.00 0.14 C ATOM 181 N2 DG A 6 11.825 -2.751 -0.876 1.00 0.16 N ATOM 182 N3 DG A 6 9.753 -2.535 -1.821 1.00 0.12 N ATOM 183 C4 DG A 6 9.107 -2.486 -3.009 1.00 0.13 C ATOM 0 H5' DG A 6 2.832 -0.282 -1.873 1.00 0.21 H new ATOM 0 H5'' DG A 6 3.873 -0.359 -3.280 1.00 0.21 H new ATOM 0 H4' DG A 6 4.038 -2.207 -0.883 1.00 0.18 H new ATOM 0 H3' DG A 6 4.874 0.435 -0.792 1.00 0.18 H new ATOM 0 H2' DG A 6 6.435 0.001 -2.772 1.00 0.19 H new ATOM 0 H2'' DG A 6 7.498 -0.140 -1.386 1.00 0.19 H new ATOM 0 H1' DG A 6 7.209 -2.666 -1.343 1.00 0.17 H new ATOM 0 H8 DG A 6 6.617 -2.225 -5.060 1.00 0.20 H new ATOM 0 H1 DG A 6 12.702 -3.011 -3.161 1.00 0.13 H new ATOM 0 H21 DG A 6 11.400 -2.650 0.046 1.00 0.16 H new ATOM 0 H22 DG A 6 12.834 -2.872 -0.962 1.00 0.16 H new ATOM 195 P DT A 7 5.273 -0.373 1.738 1.00 0.18 P ATOM 196 OP1 DT A 7 4.351 -1.438 2.190 1.00 0.32 O ATOM 197 OP2 DT A 7 4.790 1.003 1.572 1.00 0.27 O ATOM 198 O5' DT A 7 6.536 -0.301 2.737 1.00 0.17 O ATOM 199 C5' DT A 7 7.252 -1.483 3.161 1.00 0.18 C ATOM 200 C4' DT A 7 8.721 -1.528 2.672 1.00 0.14 C ATOM 201 O4' DT A 7 9.328 -2.785 3.062 1.00 0.17 O ATOM 202 C3' DT A 7 8.870 -1.442 1.118 1.00 0.15 C ATOM 203 O3' DT A 7 10.212 -1.098 0.712 1.00 0.16 O ATOM 204 C2' DT A 7 8.749 -2.967 0.867 1.00 0.19 C ATOM 205 C1' DT A 7 9.728 -3.557 1.896 1.00 0.19 C ATOM 206 N1 DT A 7 9.685 -5.051 2.014 1.00 0.24 N ATOM 207 C2 DT A 7 10.505 -5.770 1.176 1.00 0.13 C ATOM 208 O2 DT A 7 11.214 -5.243 0.350 1.00 0.19 O ATOM 209 N3 DT A 7 10.489 -7.120 1.294 1.00 0.17 N ATOM 210 C4 DT A 7 9.726 -7.843 2.171 1.00 0.33 C ATOM 211 O4 DT A 7 9.787 -9.071 2.199 1.00 0.39 O ATOM 212 C5 DT A 7 8.874 -7.019 3.022 1.00 0.48 C ATOM 213 C7 DT A 7 7.936 -7.661 4.008 1.00 0.69 C ATOM 214 C6 DT A 7 8.896 -5.681 2.910 1.00 0.43 C ATOM 0 H5' DT A 7 6.729 -2.366 2.794 1.00 0.18 H new ATOM 0 H5'' DT A 7 7.239 -1.534 4.250 1.00 0.18 H new ATOM 0 H4' DT A 7 9.202 -0.661 3.125 1.00 0.14 H new ATOM 0 H3' DT A 7 8.201 -0.733 0.630 1.00 0.15 H new ATOM 0 H2' DT A 7 7.731 -3.324 1.025 1.00 0.19 H new ATOM 0 H2'' DT A 7 9.025 -3.233 -0.153 1.00 0.19 H new ATOM 0 H1' DT A 7 10.788 -3.464 1.658 1.00 0.19 H new ATOM 0 H3 DT A 7 11.102 -7.646 0.672 1.00 0.17 H new ATOM 0 H71 DT A 7 7.800 -7.000 4.864 1.00 0.69 H new ATOM 0 H72 DT A 7 6.972 -7.839 3.531 1.00 0.69 H new ATOM 0 H73 DT A 7 8.355 -8.609 4.344 1.00 0.69 H new ATOM 0 H6 DT A 7 8.263 -5.091 3.556 1.00 0.43 H new ATOM 227 P DG A 8 11.048 0.233 1.057 1.00 0.15 P ATOM 228 OP1 DG A 8 12.375 -0.026 0.458 1.00 0.14 O ATOM 229 OP2 DG A 8 10.902 0.516 2.501 1.00 0.26 O ATOM 230 O5' DG A 8 10.339 1.443 0.235 1.00 0.25 O ATOM 231 C5' DG A 8 11.074 2.505 -0.390 1.00 0.21 C ATOM 232 C4' DG A 8 11.591 2.102 -1.782 1.00 0.21 C ATOM 233 O4' DG A 8 10.531 2.158 -2.790 1.00 0.29 O ATOM 234 C3' DG A 8 12.802 2.868 -2.435 1.00 0.24 C ATOM 235 O3' DG A 8 13.139 4.171 -1.876 1.00 0.22 O ATOM 236 C2' DG A 8 12.315 2.883 -3.931 1.00 0.27 C ATOM 237 C1' DG A 8 11.006 2.094 -4.179 1.00 0.31 C ATOM 238 N9 DG A 8 10.104 2.796 -5.139 1.00 0.38 N ATOM 239 C8 DG A 8 9.132 3.732 -4.899 1.00 0.50 C ATOM 240 N7 DG A 8 8.512 4.132 -5.977 1.00 0.51 N ATOM 241 C5 DG A 8 9.105 3.425 -7.001 1.00 0.42 C ATOM 242 C6 DG A 8 8.858 3.440 -8.385 1.00 0.46 C ATOM 243 O6 DG A 8 8.067 4.097 -9.030 1.00 0.54 O ATOM 244 N1 DG A 8 9.667 2.588 -9.059 1.00 0.47 N ATOM 245 C2 DG A 8 10.623 1.798 -8.489 1.00 0.47 C ATOM 246 N2 DG A 8 11.303 1.064 -9.342 1.00 0.57 N ATOM 247 N3 DG A 8 10.885 1.754 -7.182 1.00 0.40 N ATOM 248 C4 DG A 8 10.078 2.605 -6.503 1.00 0.37 C ATOM 0 H5' DG A 8 11.916 2.785 0.243 1.00 0.21 H new ATOM 0 H5'' DG A 8 10.436 3.384 -0.480 1.00 0.21 H new ATOM 0 H4' DG A 8 11.959 1.107 -1.531 1.00 0.21 H new ATOM 0 H3' DG A 8 13.767 2.393 -2.261 1.00 0.24 H new ATOM 0 H2' DG A 8 12.168 3.917 -4.243 1.00 0.27 H new ATOM 0 H2'' DG A 8 13.101 2.468 -4.562 1.00 0.27 H new ATOM 0 H1' DG A 8 11.086 1.103 -4.627 1.00 0.31 H new ATOM 0 H8 DG A 8 8.900 4.104 -3.912 1.00 0.50 H new ATOM 0 H1 DG A 8 9.553 2.532 -10.071 1.00 0.47 H new ATOM 0 H21 DG A 8 12.039 0.442 -9.007 1.00 0.57 H new ATOM 0 H22 DG A 8 11.095 1.117 -10.339 1.00 0.57 H new ATOM 260 P DT A 9 14.168 4.378 -0.665 1.00 0.21 P ATOM 261 OP1 DT A 9 13.753 3.485 0.428 1.00 0.31 O ATOM 262 OP2 DT A 9 14.246 5.832 -0.442 1.00 0.29 O ATOM 263 O5' DT A 9 15.640 3.889 -1.189 1.00 0.20 O ATOM 264 C5' DT A 9 16.787 3.955 -0.325 1.00 0.23 C ATOM 265 C4' DT A 9 17.960 3.080 -0.820 1.00 0.20 C ATOM 266 O4' DT A 9 17.526 1.713 -0.931 1.00 0.23 O ATOM 267 C3' DT A 9 18.583 3.365 -2.193 1.00 0.18 C ATOM 268 O3' DT A 9 19.938 2.913 -2.407 1.00 0.18 O ATOM 269 C2' DT A 9 17.578 2.549 -3.021 1.00 0.17 C ATOM 270 C1' DT A 9 17.330 1.212 -2.280 1.00 0.14 C ATOM 271 N1 DT A 9 15.951 0.650 -2.542 1.00 0.13 N ATOM 272 C2 DT A 9 15.069 0.500 -1.440 1.00 0.13 C ATOM 273 O2 DT A 9 15.310 0.729 -0.259 1.00 0.15 O ATOM 274 N3 DT A 9 13.807 0.057 -1.718 1.00 0.13 N ATOM 275 C4 DT A 9 13.319 -0.255 -2.963 1.00 0.13 C ATOM 276 O4 DT A 9 12.152 -0.570 -3.134 1.00 0.19 O ATOM 277 C5 DT A 9 14.276 -0.091 -4.024 1.00 0.14 C ATOM 278 C7 DT A 9 13.866 -0.434 -5.453 1.00 0.16 C ATOM 279 C6 DT A 9 15.522 0.338 -3.822 1.00 0.13 C ATOM 0 H5' DT A 9 16.500 3.637 0.677 1.00 0.23 H new ATOM 0 H5'' DT A 9 17.119 4.990 -0.248 1.00 0.23 H new ATOM 0 H4' DT A 9 18.716 3.309 -0.068 1.00 0.20 H new ATOM 0 H3' DT A 9 18.709 4.426 -2.407 1.00 0.18 H new ATOM 0 H2' DT A 9 16.644 3.099 -3.139 1.00 0.17 H new ATOM 0 H2'' DT A 9 17.968 2.364 -4.022 1.00 0.17 H new ATOM 0 H1' DT A 9 17.955 0.364 -2.561 1.00 0.14 H new ATOM 0 H3 DT A 9 13.169 -0.052 -0.929 1.00 0.13 H new ATOM 0 H71 DT A 9 14.419 0.195 -6.151 1.00 0.16 H new ATOM 0 H72 DT A 9 14.089 -1.482 -5.654 1.00 0.16 H new ATOM 0 H73 DT A 9 12.797 -0.260 -5.576 1.00 0.16 H new ATOM 0 H6 DT A 9 16.198 0.443 -4.658 1.00 0.13 H new ATOM 292 P DG A 10 20.659 1.472 -2.192 1.00 0.14 P ATOM 293 OP1 DG A 10 22.103 1.657 -2.475 1.00 0.17 O ATOM 294 OP2 DG A 10 19.932 0.453 -2.958 1.00 0.23 O ATOM 295 O5' DG A 10 20.466 1.133 -0.612 1.00 0.17 O ATOM 296 C5' DG A 10 20.708 -0.188 -0.108 1.00 0.20 C ATOM 297 C4' DG A 10 19.882 -0.575 1.151 1.00 0.17 C ATOM 298 O4' DG A 10 18.455 -0.466 0.924 1.00 0.16 O ATOM 299 C3' DG A 10 20.242 -2.037 1.511 1.00 0.16 C ATOM 300 O3' DG A 10 20.359 -2.496 2.856 1.00 0.16 O ATOM 301 C2' DG A 10 18.886 -2.636 0.991 1.00 0.15 C ATOM 302 C1' DG A 10 17.768 -1.628 1.390 1.00 0.12 C ATOM 303 N9 DG A 10 16.547 -1.995 0.585 1.00 0.11 N ATOM 304 C8 DG A 10 15.272 -2.352 0.915 1.00 0.14 C ATOM 305 N7 DG A 10 14.532 -2.684 -0.117 1.00 0.13 N ATOM 306 C5 DG A 10 15.380 -2.529 -1.207 1.00 0.11 C ATOM 307 C6 DG A 10 15.189 -2.724 -2.576 1.00 0.12 C ATOM 308 O6 DG A 10 14.205 -3.068 -3.182 1.00 0.16 O ATOM 309 N1 DG A 10 16.309 -2.449 -3.317 1.00 0.12 N ATOM 310 C2 DG A 10 17.514 -2.021 -2.802 1.00 0.10 C ATOM 311 N2 DG A 10 18.503 -1.751 -3.624 1.00 0.11 N ATOM 312 N3 DG A 10 17.730 -1.828 -1.511 1.00 0.11 N ATOM 313 C4 DG A 10 16.608 -2.108 -0.782 1.00 0.11 C ATOM 0 H5' DG A 10 21.768 -0.281 0.129 1.00 0.20 H new ATOM 0 H5'' DG A 10 20.494 -0.907 -0.899 1.00 0.20 H new ATOM 0 H4' DG A 10 20.126 0.111 1.962 1.00 0.17 H new ATOM 0 H3' DG A 10 21.238 -2.274 1.138 1.00 0.16 H new ATOM 0 H2' DG A 10 18.914 -2.775 -0.090 1.00 0.15 H new ATOM 0 H2'' DG A 10 18.700 -3.615 1.434 1.00 0.15 H new ATOM 0 H1' DG A 10 17.410 -1.557 2.417 1.00 0.12 H new ATOM 0 H8 DG A 10 14.906 -2.361 1.931 1.00 0.14 H new ATOM 0 H1 DG A 10 16.246 -2.570 -4.328 1.00 0.12 H new ATOM 0 H21 DG A 10 19.400 -1.433 -3.256 1.00 0.11 H new ATOM 0 H22 DG A 10 18.374 -1.859 -4.630 1.00 0.11 H new ATOM 325 P DG A 11 20.701 -4.062 3.117 1.00 0.20 P ATOM 326 OP1 DG A 11 21.120 -4.290 4.525 1.00 0.25 O ATOM 327 OP2 DG A 11 21.547 -4.557 2.017 1.00 0.29 O ATOM 328 O5' DG A 11 19.248 -4.762 2.980 1.00 0.19 O ATOM 329 C5' DG A 11 18.138 -4.365 3.802 1.00 0.19 C ATOM 330 C4' DG A 11 16.858 -4.929 3.240 1.00 0.16 C ATOM 331 O4' DG A 11 16.782 -4.505 1.846 1.00 0.16 O ATOM 332 C3' DG A 11 16.835 -6.467 3.278 1.00 0.21 C ATOM 333 O3' DG A 11 15.689 -7.045 3.931 1.00 0.20 O ATOM 334 C2' DG A 11 16.815 -6.744 1.802 1.00 0.25 C ATOM 335 C1' DG A 11 16.190 -5.560 1.091 1.00 0.15 C ATOM 336 N9 DG A 11 16.410 -5.544 -0.374 1.00 0.18 N ATOM 337 C8 DG A 11 17.552 -5.445 -1.161 1.00 0.21 C ATOM 338 N7 DG A 11 17.325 -5.492 -2.436 1.00 0.20 N ATOM 339 C5 DG A 11 15.947 -5.632 -2.521 1.00 0.17 C ATOM 340 C6 DG A 11 15.099 -5.739 -3.653 1.00 0.17 C ATOM 341 O6 DG A 11 15.403 -5.784 -4.827 1.00 0.22 O ATOM 342 N1 DG A 11 13.783 -5.852 -3.308 1.00 0.16 N ATOM 343 C2 DG A 11 13.333 -5.875 -2.016 1.00 0.17 C ATOM 344 N2 DG A 11 12.062 -5.983 -1.870 1.00 0.22 N ATOM 345 N3 DG A 11 14.090 -5.779 -0.940 1.00 0.17 N ATOM 346 C4 DG A 11 15.393 -5.661 -1.269 1.00 0.17 C ATOM 0 H5' DG A 11 18.078 -3.278 3.847 1.00 0.19 H new ATOM 0 H5'' DG A 11 18.285 -4.719 4.823 1.00 0.19 H new ATOM 0 H4' DG A 11 16.020 -4.570 3.838 1.00 0.16 H new ATOM 0 H3' DG A 11 17.657 -6.895 3.851 1.00 0.21 H new ATOM 0 H2' DG A 11 17.828 -6.912 1.436 1.00 0.25 H new ATOM 0 H2'' DG A 11 16.247 -7.651 1.596 1.00 0.25 H new ATOM 0 H1' DG A 11 15.101 -5.526 1.080 1.00 0.15 H new ATOM 0 H8 DG A 11 18.543 -5.338 -0.745 1.00 0.21 H new ATOM 0 H1 DG A 11 13.095 -5.923 -4.057 1.00 0.16 H new ATOM 0 H21 DG A 11 11.656 -6.007 -0.934 1.00 0.22 H new ATOM 0 H22 DG A 11 11.458 -6.045 -2.690 1.00 0.22 H new ATOM 358 P DT A 12 15.904 -8.072 5.173 1.00 0.15 P ATOM 359 OP1 DT A 12 14.741 -8.972 5.162 1.00 0.23 O ATOM 360 OP2 DT A 12 16.199 -7.267 6.368 1.00 0.31 O ATOM 361 O5' DT A 12 17.220 -8.912 4.795 1.00 0.13 O ATOM 362 C5' DT A 12 17.324 -10.053 3.911 1.00 0.17 C ATOM 363 C4' DT A 12 18.775 -10.428 3.477 1.00 0.15 C ATOM 364 O4' DT A 12 19.700 -10.782 4.553 1.00 0.14 O ATOM 365 C3' DT A 12 19.461 -9.304 2.646 1.00 0.14 C ATOM 366 O3' DT A 12 19.138 -9.452 1.257 1.00 0.16 O ATOM 367 C2' DT A 12 20.942 -9.626 2.927 1.00 0.16 C ATOM 368 C1' DT A 12 20.869 -9.908 4.441 1.00 0.16 C ATOM 369 N1 DT A 12 20.495 -8.630 5.231 1.00 0.16 N ATOM 370 C2 DT A 12 20.946 -7.353 4.824 1.00 0.17 C ATOM 371 O2 DT A 12 21.645 -7.198 3.831 1.00 0.21 O ATOM 372 N3 DT A 12 20.566 -6.294 5.601 1.00 0.19 N ATOM 373 C4 DT A 12 19.809 -6.341 6.732 1.00 0.19 C ATOM 374 O4 DT A 12 19.562 -5.280 7.293 1.00 0.27 O ATOM 375 C5 DT A 12 19.380 -7.682 7.094 1.00 0.18 C ATOM 376 C7 DT A 12 18.541 -7.859 8.358 1.00 0.23 C ATOM 377 C6 DT A 12 19.707 -8.757 6.369 1.00 0.17 C ATOM 0 H5' DT A 12 16.734 -9.854 3.016 1.00 0.17 H new ATOM 0 H5'' DT A 12 16.875 -10.916 4.403 1.00 0.17 H new ATOM 0 H4' DT A 12 18.597 -11.323 2.880 1.00 0.15 H new ATOM 0 H3' DT A 12 19.170 -8.284 2.895 1.00 0.14 H new ATOM 0 H2' DT A 12 21.297 -10.486 2.359 1.00 0.16 H new ATOM 0 H2'' DT A 12 21.603 -8.792 2.689 1.00 0.16 H new ATOM 0 H1' DT A 12 21.814 -10.300 4.817 1.00 0.16 H new ATOM 0 H3 DT A 12 20.883 -5.372 5.302 1.00 0.19 H new ATOM 0 H71 DT A 12 17.878 -8.716 8.237 1.00 0.23 H new ATOM 0 H72 DT A 12 19.199 -8.027 9.211 1.00 0.23 H new ATOM 0 H73 DT A 12 17.947 -6.961 8.529 1.00 0.23 H new ATOM 0 H6 DT A 12 19.356 -9.733 6.670 1.00 0.17 H new ATOM 390 P DT A 13 19.322 -8.351 0.113 1.00 0.15 P ATOM 391 OP1 DT A 13 19.653 -7.070 0.761 1.00 0.19 O ATOM 392 OP2 DT A 13 18.133 -8.390 -0.756 1.00 0.20 O ATOM 393 O5' DT A 13 20.604 -8.785 -0.747 1.00 0.23 O ATOM 394 C5' DT A 13 20.837 -10.101 -1.231 1.00 0.21 C ATOM 395 C4' DT A 13 20.091 -10.508 -2.479 1.00 0.19 C ATOM 396 O4' DT A 13 18.624 -10.623 -2.343 1.00 0.20 O ATOM 397 C3' DT A 13 20.328 -9.558 -3.664 1.00 0.22 C ATOM 398 O3' DT A 13 20.639 -10.301 -4.839 1.00 0.25 O ATOM 399 C2' DT A 13 18.903 -8.959 -3.768 1.00 0.22 C ATOM 400 C1' DT A 13 17.935 -10.130 -3.521 1.00 0.19 C ATOM 401 N1 DT A 13 16.526 -9.761 -3.318 1.00 0.19 N ATOM 402 C2 DT A 13 15.761 -9.549 -4.462 1.00 0.24 C ATOM 403 O2 DT A 13 16.228 -9.650 -5.593 1.00 0.32 O ATOM 404 N3 DT A 13 14.434 -9.200 -4.264 1.00 0.24 N ATOM 405 C4 DT A 13 13.808 -9.044 -3.067 1.00 0.20 C ATOM 406 O4 DT A 13 12.625 -8.746 -3.008 1.00 0.24 O ATOM 407 C5 DT A 13 14.645 -9.276 -1.906 1.00 0.18 C ATOM 408 C7 DT A 13 14.077 -9.152 -0.498 1.00 0.24 C ATOM 409 C6 DT A 13 15.949 -9.618 -2.086 1.00 0.17 C ATOM 0 H5' DT A 13 20.583 -10.805 -0.438 1.00 0.21 H new ATOM 0 H5'' DT A 13 21.905 -10.209 -1.423 1.00 0.21 H new ATOM 0 H4' DT A 13 20.512 -11.497 -2.659 1.00 0.19 H new ATOM 0 H3' DT A 13 21.142 -8.842 -3.549 1.00 0.22 H new ATOM 0 H2' DT A 13 18.757 -8.169 -3.031 1.00 0.22 H new ATOM 0 H2'' DT A 13 18.737 -8.515 -4.749 1.00 0.22 H new ATOM 0 H1' DT A 13 17.783 -10.830 -4.343 1.00 0.19 H new ATOM 0 H3 DT A 13 13.871 -9.045 -5.100 1.00 0.24 H new ATOM 0 H71 DT A 13 13.273 -8.416 -0.493 1.00 0.24 H new ATOM 0 H72 DT A 13 13.687 -10.118 -0.177 1.00 0.24 H new ATOM 0 H73 DT A 13 14.864 -8.834 0.185 1.00 0.24 H new ATOM 0 H6 DT A 13 16.560 -9.785 -1.211 1.00 0.17 H new ATOM 422 P DG A 14 22.153 -10.666 -5.223 1.00 0.24 P ATOM 423 OP1 DG A 14 22.128 -11.998 -5.837 1.00 0.35 O ATOM 424 OP2 DG A 14 23.017 -10.410 -4.056 1.00 0.36 O ATOM 425 O5' DG A 14 22.528 -9.606 -6.359 1.00 0.24 O ATOM 426 C5' DG A 14 23.442 -9.865 -7.435 1.00 0.21 C ATOM 427 C4' DG A 14 23.500 -8.728 -8.452 1.00 0.14 C ATOM 428 O4' DG A 14 22.175 -8.390 -8.945 1.00 0.17 O ATOM 429 C3' DG A 14 24.074 -7.456 -7.792 1.00 0.15 C ATOM 430 O3' DG A 14 24.694 -6.645 -8.796 1.00 0.19 O ATOM 431 C2' DG A 14 22.670 -6.814 -7.469 1.00 0.17 C ATOM 432 C1' DG A 14 21.894 -6.995 -8.754 1.00 0.19 C ATOM 433 N9 DG A 14 20.423 -6.697 -8.676 1.00 0.14 N ATOM 434 C8 DG A 14 19.479 -6.626 -9.684 1.00 0.19 C ATOM 435 N7 DG A 14 18.261 -6.331 -9.279 1.00 0.20 N ATOM 436 C5 DG A 14 18.423 -6.200 -7.903 1.00 0.14 C ATOM 437 C6 DG A 14 17.466 -5.885 -6.925 1.00 0.15 C ATOM 438 O6 DG A 14 16.289 -5.661 -7.103 1.00 0.21 O ATOM 439 N1 DG A 14 18.014 -5.847 -5.646 1.00 0.15 N ATOM 440 C2 DG A 14 19.315 -6.081 -5.364 1.00 0.12 C ATOM 441 N2 DG A 14 19.641 -5.965 -4.086 1.00 0.17 N ATOM 442 N3 DG A 14 20.238 -6.378 -6.258 1.00 0.11 N ATOM 443 C4 DG A 14 19.733 -6.421 -7.521 1.00 0.11 C ATOM 0 H5' DG A 14 23.148 -10.784 -7.942 1.00 0.21 H new ATOM 0 H5'' DG A 14 24.439 -10.031 -7.026 1.00 0.21 H new ATOM 0 H4' DG A 14 24.130 -9.068 -9.274 1.00 0.14 H new ATOM 0 H3' DG A 14 24.797 -7.586 -6.987 1.00 0.15 H new ATOM 0 H2' DG A 14 22.183 -7.315 -6.632 1.00 0.17 H new ATOM 0 H2'' DG A 14 22.762 -5.762 -7.201 1.00 0.17 H new ATOM 0 H1' DG A 14 22.176 -6.313 -9.556 1.00 0.19 H new ATOM 0 H8 DG A 14 19.722 -6.799 -10.722 1.00 0.19 H new ATOM 0 H1 DG A 14 17.391 -5.628 -4.869 1.00 0.15 H new ATOM 0 H21 DG A 14 20.603 -6.125 -3.789 1.00 0.17 H new ATOM 0 H22 DG A 14 18.930 -5.715 -3.399 1.00 0.17 H new ATOM 455 P DG A 15 25.433 -5.258 -8.484 1.00 0.23 P ATOM 456 OP1 DG A 15 26.653 -5.191 -9.305 1.00 0.32 O ATOM 457 OP2 DG A 15 25.508 -5.034 -7.024 1.00 0.29 O ATOM 458 O5' DG A 15 24.363 -4.220 -9.105 1.00 0.24 O ATOM 459 C5' DG A 15 23.965 -4.360 -10.481 1.00 0.26 C ATOM 460 C4' DG A 15 22.783 -3.478 -10.882 1.00 0.22 C ATOM 461 O4' DG A 15 21.640 -3.784 -10.027 1.00 0.23 O ATOM 462 C3' DG A 15 23.077 -1.966 -10.749 1.00 0.20 C ATOM 463 O3' DG A 15 22.204 -1.184 -11.526 1.00 0.23 O ATOM 464 C2' DG A 15 22.688 -1.888 -9.236 1.00 0.18 C ATOM 465 C1' DG A 15 21.347 -2.613 -9.206 1.00 0.20 C ATOM 466 N9 DG A 15 20.442 -2.801 -8.013 1.00 0.17 N ATOM 467 C8 DG A 15 20.618 -3.042 -6.651 1.00 0.17 C ATOM 468 N7 DG A 15 19.500 -3.120 -5.967 1.00 0.16 N ATOM 469 C5 DG A 15 18.520 -2.924 -6.923 1.00 0.13 C ATOM 470 C6 DG A 15 17.108 -2.900 -6.779 1.00 0.13 C ATOM 471 O6 DG A 15 16.435 -2.996 -5.762 1.00 0.19 O ATOM 472 N1 DG A 15 16.476 -2.685 -7.973 1.00 0.15 N ATOM 473 C2 DG A 15 17.113 -2.497 -9.164 1.00 0.17 C ATOM 474 N2 DG A 15 16.380 -2.269 -10.228 1.00 0.22 N ATOM 475 N3 DG A 15 18.432 -2.512 -9.324 1.00 0.18 N ATOM 476 C4 DG A 15 19.079 -2.731 -8.158 1.00 0.15 C ATOM 0 H5' DG A 15 23.707 -5.402 -10.669 1.00 0.26 H new ATOM 0 H5'' DG A 15 24.815 -4.122 -11.120 1.00 0.26 H new ATOM 0 H4' DG A 15 22.580 -3.693 -11.931 1.00 0.22 H new ATOM 0 H3' DG A 15 24.064 -1.619 -11.055 1.00 0.20 H new ATOM 0 H2' DG A 15 23.428 -2.375 -8.601 1.00 0.18 H new ATOM 0 H2'' DG A 15 22.601 -0.858 -8.891 1.00 0.18 H new ATOM 0 HO3' DG A 15 22.424 -0.236 -11.411 1.00 0.23 H new ATOM 0 H1' DG A 15 20.589 -1.902 -9.535 1.00 0.20 H new ATOM 0 H8 DG A 15 21.591 -3.155 -6.197 1.00 0.17 H new ATOM 0 H1 DG A 15 15.456 -2.664 -7.972 1.00 0.15 H new ATOM 0 H21 DG A 15 16.827 -2.124 -11.134 1.00 0.22 H new ATOM 0 H22 DG A 15 15.364 -2.236 -10.150 1.00 0.22 H new TER 489 DG A 15