USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 242 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 Set 1.1: A 5 DT C7 :methyl -30:sc= -7.5! (180deg=-3.99!) USER MOD Set 1.2: A 6 DT C7 :methyl 150:sc= -5.15! (180deg=-5.11!) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc= -27.6! (180deg=-34.6!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -5.78! (180deg=-7.02!) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -0.933 (180deg=-4.1!) USER MOD Single : A 16 DT C7 :methyl -30:sc= 0 (180deg=-0.00525) USER MOD Single : A 17 DT C7 :methyl -30:sc= 0 (180deg=-1.21) USER MOD Single : A 18 DT C7 :methyl 150:sc= -0.961 (180deg=-0.961) USER MOD Single : A 21 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.587 -6.279 -7.792 1.00 0.52 O ATOM 2 C5' DG A 1 -4.501 -6.246 -6.368 1.00 0.41 C ATOM 3 C4' DG A 1 -5.806 -5.757 -5.737 1.00 0.28 C ATOM 4 O4' DG A 1 -5.637 -5.693 -4.317 1.00 0.25 O ATOM 5 C3' DG A 1 -6.245 -4.366 -6.216 1.00 0.25 C ATOM 6 O3' DG A 1 -7.616 -4.401 -6.684 1.00 0.25 O ATOM 7 C2' DG A 1 -6.112 -3.478 -4.983 1.00 0.20 C ATOM 8 C1' DG A 1 -6.204 -4.475 -3.841 1.00 0.17 C ATOM 9 N9 DG A 1 -5.467 -4.087 -2.625 1.00 0.16 N ATOM 10 C8 DG A 1 -5.960 -3.873 -1.365 1.00 0.16 C ATOM 11 N7 DG A 1 -5.045 -3.615 -0.475 1.00 0.16 N ATOM 12 C5 DG A 1 -3.859 -3.659 -1.195 1.00 0.14 C ATOM 13 C6 DG A 1 -2.529 -3.466 -0.753 1.00 0.14 C ATOM 14 O6 DG A 1 -2.135 -3.234 0.382 1.00 0.16 O ATOM 15 N1 DG A 1 -1.619 -3.599 -1.783 1.00 0.13 N ATOM 16 C2 DG A 1 -1.947 -3.878 -3.100 1.00 0.13 C ATOM 17 N2 DG A 1 -0.944 -3.925 -3.976 1.00 0.13 N ATOM 18 N3 DG A 1 -3.203 -4.065 -3.520 1.00 0.13 N ATOM 19 C4 DG A 1 -4.104 -3.943 -2.514 1.00 0.14 C ATOM 0 H5' DG A 1 -3.683 -5.591 -6.067 1.00 0.41 H new ATOM 0 H5'' DG A 1 -4.266 -7.242 -5.994 1.00 0.41 H new ATOM 0 H4' DG A 1 -6.577 -6.467 -6.038 1.00 0.28 H new ATOM 0 H3' DG A 1 -5.646 -4.002 -7.050 1.00 0.25 H new ATOM 0 H2' DG A 1 -5.165 -2.938 -4.973 1.00 0.20 H new ATOM 0 H2'' DG A 1 -6.905 -2.732 -4.934 1.00 0.20 H new ATOM 0 HO5' DG A 1 -3.737 -6.594 -8.164 1.00 0.52 H new ATOM 0 H1' DG A 1 -7.253 -4.546 -3.555 1.00 0.17 H new ATOM 0 H8 DG A 1 -7.013 -3.915 -1.131 1.00 0.16 H new ATOM 0 H1 DG A 1 -0.631 -3.483 -1.557 1.00 0.13 H new ATOM 0 H21 DG A 1 -1.133 -4.127 -4.958 1.00 0.13 H new ATOM 0 H22 DG A 1 0.013 -3.759 -3.665 1.00 0.13 H new ATOM 32 P DG A 2 -8.876 -4.749 -5.726 1.00 0.22 P ATOM 33 OP1 DG A 2 -8.521 -5.908 -4.878 1.00 0.25 O ATOM 34 OP2 DG A 2 -10.089 -4.809 -6.575 1.00 0.33 O ATOM 35 O5' DG A 2 -8.986 -3.444 -4.790 1.00 0.22 O ATOM 36 C5' DG A 2 -9.879 -3.415 -3.671 1.00 0.23 C ATOM 37 C4' DG A 2 -9.692 -2.151 -2.835 1.00 0.19 C ATOM 38 O4' DG A 2 -8.326 -2.053 -2.420 1.00 0.20 O ATOM 39 C3' DG A 2 -10.040 -0.849 -3.574 1.00 0.19 C ATOM 40 O3' DG A 2 -11.092 -0.142 -2.878 1.00 0.19 O ATOM 41 C2' DG A 2 -8.747 -0.028 -3.561 1.00 0.17 C ATOM 42 C1' DG A 2 -7.936 -0.686 -2.456 1.00 0.15 C ATOM 43 N9 DG A 2 -6.485 -0.646 -2.632 1.00 0.14 N ATOM 44 C8 DG A 2 -5.744 -0.718 -3.776 1.00 0.14 C ATOM 45 N7 DG A 2 -4.465 -0.609 -3.575 1.00 0.13 N ATOM 46 C5 DG A 2 -4.353 -0.460 -2.205 1.00 0.13 C ATOM 47 C6 DG A 2 -3.205 -0.298 -1.405 1.00 0.13 C ATOM 48 O6 DG A 2 -2.038 -0.247 -1.745 1.00 0.16 O ATOM 49 N1 DG A 2 -3.528 -0.185 -0.081 1.00 0.14 N ATOM 50 C2 DG A 2 -4.785 -0.220 0.444 1.00 0.14 C ATOM 51 N2 DG A 2 -4.872 -0.095 1.776 1.00 0.17 N ATOM 52 N3 DG A 2 -5.880 -0.372 -0.300 1.00 0.15 N ATOM 53 C4 DG A 2 -5.583 -0.485 -1.617 1.00 0.13 C ATOM 0 H5' DG A 2 -9.710 -4.293 -3.047 1.00 0.23 H new ATOM 0 H5'' DG A 2 -10.909 -3.469 -4.025 1.00 0.23 H new ATOM 0 H4' DG A 2 -10.380 -2.251 -1.996 1.00 0.19 H new ATOM 0 H3' DG A 2 -10.398 -1.035 -4.587 1.00 0.19 H new ATOM 0 H2' DG A 2 -8.232 -0.071 -4.520 1.00 0.17 H new ATOM 0 H2'' DG A 2 -8.939 1.024 -3.349 1.00 0.17 H new ATOM 0 H1' DG A 2 -8.141 -0.129 -1.542 1.00 0.15 H new ATOM 0 H8 DG A 2 -6.179 -0.853 -4.755 1.00 0.14 H new ATOM 0 H1 DG A 2 -2.756 -0.063 0.575 1.00 0.14 H new ATOM 0 H21 DG A 2 -5.785 -0.113 2.231 1.00 0.17 H new ATOM 0 H22 DG A 2 -4.026 0.018 2.334 1.00 0.17 H new ATOM 65 P DG A 3 -11.087 0.095 -1.272 1.00 0.20 P ATOM 66 OP1 DG A 3 -9.901 -0.561 -0.687 1.00 0.24 O ATOM 67 OP2 DG A 3 -12.429 -0.247 -0.757 1.00 0.26 O ATOM 68 O5' DG A 3 -10.890 1.685 -1.131 1.00 0.20 O ATOM 69 C5' DG A 3 -10.950 2.298 0.160 1.00 0.23 C ATOM 70 C4' DG A 3 -9.932 3.421 0.298 1.00 0.18 C ATOM 71 O4' DG A 3 -8.637 2.950 -0.093 1.00 0.18 O ATOM 72 C3' DG A 3 -10.235 4.660 -0.565 1.00 0.20 C ATOM 73 O3' DG A 3 -10.348 5.810 0.280 1.00 0.26 O ATOM 74 C2' DG A 3 -9.007 4.797 -1.462 1.00 0.20 C ATOM 75 C1' DG A 3 -7.957 4.068 -0.626 1.00 0.15 C ATOM 76 N9 DG A 3 -6.734 3.594 -1.325 1.00 0.13 N ATOM 77 C8 DG A 3 -6.528 3.230 -2.639 1.00 0.14 C ATOM 78 N7 DG A 3 -5.291 2.916 -2.908 1.00 0.15 N ATOM 79 C5 DG A 3 -4.633 3.073 -1.695 1.00 0.12 C ATOM 80 C6 DG A 3 -3.264 2.875 -1.366 1.00 0.12 C ATOM 81 O6 DG A 3 -2.342 2.568 -2.121 1.00 0.15 O ATOM 82 N1 DG A 3 -3.024 3.141 -0.018 1.00 0.12 N ATOM 83 C2 DG A 3 -3.970 3.544 0.882 1.00 0.14 C ATOM 84 N2 DG A 3 -3.558 3.694 2.136 1.00 0.16 N ATOM 85 N3 DG A 3 -5.246 3.739 0.576 1.00 0.14 N ATOM 86 C4 DG A 3 -5.507 3.484 -0.727 1.00 0.12 C ATOM 0 H5' DG A 3 -10.769 1.546 0.928 1.00 0.23 H new ATOM 0 H5'' DG A 3 -11.952 2.692 0.329 1.00 0.23 H new ATOM 0 H4' DG A 3 -9.976 3.718 1.346 1.00 0.18 H new ATOM 0 H3' DG A 3 -11.162 4.571 -1.131 1.00 0.20 H new ATOM 0 H2' DG A 3 -9.154 4.332 -2.437 1.00 0.20 H new ATOM 0 H2'' DG A 3 -8.741 5.839 -1.642 1.00 0.20 H new ATOM 0 H1' DG A 3 -7.566 4.783 0.098 1.00 0.15 H new ATOM 0 H8 DG A 3 -7.317 3.207 -3.376 1.00 0.14 H new ATOM 0 H1 DG A 3 -2.069 3.026 0.322 1.00 0.12 H new ATOM 0 H21 DG A 3 -4.215 3.993 2.856 1.00 0.16 H new ATOM 0 H22 DG A 3 -2.584 3.510 2.378 1.00 0.16 H new ATOM 98 P DT A 4 -11.677 6.071 1.153 1.00 0.32 P ATOM 99 OP1 DT A 4 -12.188 4.766 1.629 1.00 0.41 O ATOM 100 OP2 DT A 4 -12.563 6.975 0.386 1.00 0.43 O ATOM 101 O5' DT A 4 -11.108 6.883 2.424 1.00 0.32 O ATOM 102 C5' DT A 4 -10.243 6.256 3.382 1.00 0.29 C ATOM 103 C4' DT A 4 -8.951 7.051 3.569 1.00 0.25 C ATOM 104 O4' DT A 4 -8.176 6.493 4.640 1.00 0.26 O ATOM 105 C3' DT A 4 -8.060 7.062 2.323 1.00 0.24 C ATOM 106 O3' DT A 4 -7.892 8.406 1.865 1.00 0.28 O ATOM 107 C2' DT A 4 -6.716 6.505 2.792 1.00 0.24 C ATOM 108 C1' DT A 4 -7.076 5.767 4.083 1.00 0.24 C ATOM 109 N1 DT A 4 -7.485 4.352 3.873 1.00 0.22 N ATOM 110 C2 DT A 4 -8.619 3.876 4.537 1.00 0.30 C ATOM 111 O2 DT A 4 -9.172 4.491 5.444 1.00 0.39 O ATOM 112 N3 DT A 4 -9.064 2.630 4.157 1.00 0.32 N ATOM 113 C4 DT A 4 -8.502 1.824 3.194 1.00 0.28 C ATOM 114 O4 DT A 4 -8.988 0.726 2.937 1.00 0.34 O ATOM 115 C5 DT A 4 -7.332 2.390 2.565 1.00 0.19 C ATOM 116 C7 DT A 4 -6.729 1.702 1.361 1.00 0.17 C ATOM 117 C6 DT A 4 -6.850 3.590 2.925 1.00 0.17 C ATOM 0 H5' DT A 4 -10.005 5.244 3.053 1.00 0.29 H new ATOM 0 H5'' DT A 4 -10.759 6.167 4.338 1.00 0.29 H new ATOM 0 H4' DT A 4 -9.264 8.073 3.784 1.00 0.25 H new ATOM 0 H3' DT A 4 -8.485 6.480 1.505 1.00 0.24 H new ATOM 0 H2' DT A 4 -6.278 5.834 2.053 1.00 0.24 H new ATOM 0 H2'' DT A 4 -5.991 7.299 2.971 1.00 0.24 H new ATOM 0 H1' DT A 4 -6.199 5.725 4.729 1.00 0.24 H new ATOM 0 H3 DT A 4 -9.890 2.270 4.635 1.00 0.32 H new ATOM 0 H71 DT A 4 -6.911 0.629 1.426 1.00 0.17 H new ATOM 0 H72 DT A 4 -7.186 2.093 0.452 1.00 0.17 H new ATOM 0 H73 DT A 4 -5.655 1.887 1.336 1.00 0.17 H new ATOM 0 H6 DT A 4 -5.948 3.962 2.461 1.00 0.17 H new ATOM 130 P DT A 5 -8.269 8.805 0.350 1.00 0.29 P ATOM 131 OP1 DT A 5 -7.838 10.201 0.127 1.00 0.41 O ATOM 132 OP2 DT A 5 -9.675 8.420 0.105 1.00 0.36 O ATOM 133 O5' DT A 5 -7.323 7.837 -0.526 1.00 0.28 O ATOM 134 C5' DT A 5 -6.832 8.257 -1.806 1.00 0.29 C ATOM 135 C4' DT A 5 -5.350 8.618 -1.745 1.00 0.22 C ATOM 136 O4' DT A 5 -5.136 9.581 -0.714 1.00 0.25 O ATOM 137 C3' DT A 5 -4.436 7.424 -1.445 1.00 0.16 C ATOM 138 O3' DT A 5 -3.589 7.177 -2.573 1.00 0.16 O ATOM 139 C2' DT A 5 -3.573 7.868 -0.264 1.00 0.19 C ATOM 140 C1' DT A 5 -3.837 9.363 -0.171 1.00 0.22 C ATOM 141 N1 DT A 5 -3.836 9.867 1.213 1.00 0.27 N ATOM 142 C2 DT A 5 -2.934 10.858 1.548 1.00 0.36 C ATOM 143 O2 DT A 5 -2.161 11.353 0.730 1.00 0.39 O ATOM 144 N3 DT A 5 -2.950 11.263 2.867 1.00 0.45 N ATOM 145 C4 DT A 5 -3.774 10.771 3.865 1.00 0.44 C ATOM 146 O4 DT A 5 -3.703 11.213 5.009 1.00 0.56 O ATOM 147 C5 DT A 5 -4.682 9.736 3.418 1.00 0.35 C ATOM 148 C7 DT A 5 -5.618 9.053 4.418 1.00 0.38 C ATOM 149 C6 DT A 5 -4.686 9.332 2.135 1.00 0.28 C ATOM 0 H5' DT A 5 -7.404 9.118 -2.151 1.00 0.29 H new ATOM 0 H5'' DT A 5 -6.984 7.461 -2.535 1.00 0.29 H new ATOM 0 H4' DT A 5 -5.097 9.001 -2.734 1.00 0.22 H new ATOM 0 H3' DT A 5 -5.002 6.517 -1.232 1.00 0.16 H new ATOM 0 H2' DT A 5 -3.855 7.353 0.654 1.00 0.19 H new ATOM 0 H2'' DT A 5 -2.518 7.657 -0.437 1.00 0.19 H new ATOM 0 H1' DT A 5 -3.045 9.887 -0.705 1.00 0.22 H new ATOM 0 H3 DT A 5 -2.291 11.995 3.132 1.00 0.45 H new ATOM 0 H71 DT A 5 -5.152 9.041 5.403 1.00 0.38 H new ATOM 0 H72 DT A 5 -6.559 9.601 4.469 1.00 0.38 H new ATOM 0 H73 DT A 5 -5.811 8.030 4.095 1.00 0.38 H new ATOM 0 H6 DT A 5 -5.380 8.564 1.827 1.00 0.28 H new ATOM 162 P DT A 6 -2.777 5.796 -2.653 1.00 0.14 P ATOM 163 OP1 DT A 6 -3.421 4.937 -3.675 1.00 0.22 O ATOM 164 OP2 DT A 6 -2.608 5.305 -1.270 1.00 0.16 O ATOM 165 O5' DT A 6 -1.329 6.227 -3.192 1.00 0.15 O ATOM 166 C5' DT A 6 -0.154 5.792 -2.500 1.00 0.18 C ATOM 167 C4' DT A 6 0.304 6.823 -1.474 1.00 0.16 C ATOM 168 O4' DT A 6 -0.437 6.712 -0.260 1.00 0.17 O ATOM 169 C3' DT A 6 1.772 6.688 -1.071 1.00 0.17 C ATOM 170 O3' DT A 6 2.537 7.703 -1.721 1.00 0.18 O ATOM 171 C2' DT A 6 1.780 6.918 0.445 1.00 0.18 C ATOM 172 C1' DT A 6 0.356 7.371 0.724 1.00 0.17 C ATOM 173 N1 DT A 6 -0.169 7.048 2.081 1.00 0.19 N ATOM 174 C2 DT A 6 0.716 7.073 3.153 1.00 0.21 C ATOM 175 O2 DT A 6 1.919 7.274 3.019 1.00 0.26 O ATOM 176 N3 DT A 6 0.162 6.880 4.399 1.00 0.23 N ATOM 177 C4 DT A 6 -1.169 6.679 4.680 1.00 0.25 C ATOM 178 O4 DT A 6 -1.553 6.558 5.839 1.00 0.29 O ATOM 179 C5 DT A 6 -2.015 6.658 3.518 1.00 0.24 C ATOM 180 C7 DT A 6 -3.513 6.454 3.691 1.00 0.28 C ATOM 181 C6 DT A 6 -1.508 6.830 2.284 1.00 0.23 C ATOM 0 H5' DT A 6 0.646 5.611 -3.218 1.00 0.18 H new ATOM 0 H5'' DT A 6 -0.355 4.844 -2.000 1.00 0.18 H new ATOM 0 H4' DT A 6 0.144 7.778 -1.975 1.00 0.16 H new ATOM 0 H3' DT A 6 2.198 5.723 -1.345 1.00 0.17 H new ATOM 0 H2' DT A 6 2.029 6.008 0.991 1.00 0.18 H new ATOM 0 H2'' DT A 6 2.509 7.674 0.736 1.00 0.18 H new ATOM 0 H1' DT A 6 0.325 8.460 0.683 1.00 0.17 H new ATOM 0 H3 DT A 6 0.803 6.887 5.193 1.00 0.23 H new ATOM 0 H71 DT A 6 -4.045 6.965 2.889 1.00 0.28 H new ATOM 0 H72 DT A 6 -3.742 5.389 3.656 1.00 0.28 H new ATOM 0 H73 DT A 6 -3.827 6.861 4.652 1.00 0.28 H new ATOM 0 H6 DT A 6 -2.171 6.796 1.432 1.00 0.23 H new ATOM 194 P DT A 7 4.117 7.818 -1.451 1.00 0.17 P ATOM 195 OP1 DT A 7 4.576 6.529 -0.885 1.00 0.20 O ATOM 196 OP2 DT A 7 4.366 9.078 -0.713 1.00 0.23 O ATOM 197 O5' DT A 7 4.714 7.966 -2.929 1.00 0.18 O ATOM 198 C5' DT A 7 4.945 6.824 -3.759 1.00 0.17 C ATOM 199 C4' DT A 7 5.071 7.252 -5.219 1.00 0.16 C ATOM 200 O4' DT A 7 3.777 7.581 -5.726 1.00 0.17 O ATOM 201 C3' DT A 7 5.993 8.458 -5.438 1.00 0.18 C ATOM 202 O3' DT A 7 6.920 8.153 -6.488 1.00 0.21 O ATOM 203 C2' DT A 7 5.076 9.610 -5.871 1.00 0.20 C ATOM 204 C1' DT A 7 3.715 8.954 -6.123 1.00 0.19 C ATOM 205 N1 DT A 7 2.577 9.565 -5.388 1.00 0.20 N ATOM 206 C2 DT A 7 1.481 9.956 -6.138 1.00 0.23 C ATOM 207 O2 DT A 7 1.462 9.871 -7.362 1.00 0.27 O ATOM 208 N3 DT A 7 0.400 10.443 -5.432 1.00 0.26 N ATOM 209 C4 DT A 7 0.309 10.572 -4.062 1.00 0.25 C ATOM 210 O4 DT A 7 -0.710 11.017 -3.543 1.00 0.30 O ATOM 211 C5 DT A 7 1.492 10.144 -3.351 1.00 0.20 C ATOM 212 C7 DT A 7 1.499 10.170 -1.820 1.00 0.21 C ATOM 213 C6 DT A 7 2.571 9.672 -4.016 1.00 0.18 C ATOM 0 H5' DT A 7 4.125 6.114 -3.650 1.00 0.17 H new ATOM 0 H5'' DT A 7 5.854 6.313 -3.442 1.00 0.17 H new ATOM 0 H4' DT A 7 5.516 6.407 -5.745 1.00 0.16 H new ATOM 0 H3' DT A 7 6.560 8.713 -4.543 1.00 0.18 H new ATOM 0 H2' DT A 7 5.009 10.375 -5.097 1.00 0.20 H new ATOM 0 H2'' DT A 7 5.452 10.098 -6.770 1.00 0.20 H new ATOM 0 H1' DT A 7 3.526 9.091 -7.188 1.00 0.19 H new ATOM 0 H3 DT A 7 -0.411 10.736 -5.977 1.00 0.26 H new ATOM 0 H71 DT A 7 0.846 10.968 -1.467 1.00 0.21 H new ATOM 0 H72 DT A 7 1.142 9.214 -1.438 1.00 0.21 H new ATOM 0 H73 DT A 7 2.514 10.347 -1.464 1.00 0.21 H new ATOM 0 H6 DT A 7 3.446 9.373 -3.459 1.00 0.18 H new ATOM 226 P DG A 8 8.003 6.970 -6.300 1.00 0.23 P ATOM 227 OP1 DG A 8 8.603 7.103 -4.953 1.00 0.28 O ATOM 228 OP2 DG A 8 8.871 6.945 -7.494 1.00 0.30 O ATOM 229 O5' DG A 8 7.075 5.651 -6.317 1.00 0.22 O ATOM 230 C5' DG A 8 7.634 4.329 -6.336 1.00 0.23 C ATOM 231 C4' DG A 8 8.189 3.909 -4.972 1.00 0.16 C ATOM 232 O4' DG A 8 7.301 4.332 -3.927 1.00 0.15 O ATOM 233 C3' DG A 8 8.363 2.385 -4.822 1.00 0.16 C ATOM 234 O3' DG A 8 9.671 2.065 -4.279 1.00 0.19 O ATOM 235 C2' DG A 8 7.265 1.988 -3.836 1.00 0.14 C ATOM 236 C1' DG A 8 7.165 3.251 -3.013 1.00 0.11 C ATOM 237 N9 DG A 8 5.932 3.423 -2.254 1.00 0.11 N ATOM 238 C8 DG A 8 5.819 3.617 -0.911 1.00 0.11 C ATOM 239 N7 DG A 8 4.588 3.685 -0.482 1.00 0.11 N ATOM 240 C5 DG A 8 3.841 3.529 -1.650 1.00 0.10 C ATOM 241 C6 DG A 8 2.444 3.514 -1.836 1.00 0.11 C ATOM 242 O6 DG A 8 1.565 3.629 -0.994 1.00 0.13 O ATOM 243 N1 DG A 8 2.112 3.338 -3.163 1.00 0.12 N ATOM 244 C2 DG A 8 2.997 3.188 -4.203 1.00 0.11 C ATOM 245 N2 DG A 8 2.477 3.020 -5.430 1.00 0.14 N ATOM 246 N3 DG A 8 4.313 3.199 -4.038 1.00 0.12 N ATOM 247 C4 DG A 8 4.661 3.372 -2.739 1.00 0.10 C ATOM 0 H5' DG A 8 8.431 4.285 -7.078 1.00 0.23 H new ATOM 0 H5'' DG A 8 6.869 3.618 -6.648 1.00 0.23 H new ATOM 0 H4' DG A 8 9.168 4.382 -4.898 1.00 0.16 H new ATOM 0 H3' DG A 8 8.291 1.860 -5.774 1.00 0.16 H new ATOM 0 H2' DG A 8 6.328 1.743 -4.336 1.00 0.14 H new ATOM 0 H2'' DG A 8 7.541 1.122 -3.235 1.00 0.14 H new ATOM 0 H1' DG A 8 7.945 3.203 -2.253 1.00 0.11 H new ATOM 0 H8 DG A 8 6.674 3.707 -0.257 1.00 0.11 H new ATOM 0 H1 DG A 8 1.119 3.317 -3.393 1.00 0.12 H new ATOM 0 H21 DG A 8 3.094 2.904 -6.234 1.00 0.14 H new ATOM 0 H22 DG A 8 1.465 3.008 -5.558 1.00 0.14 H new ATOM 259 P DG A 9 10.302 2.804 -2.976 1.00 0.19 P ATOM 260 OP1 DG A 9 10.146 4.266 -3.140 1.00 0.20 O ATOM 261 OP2 DG A 9 11.649 2.237 -2.736 1.00 0.25 O ATOM 262 O5' DG A 9 9.336 2.325 -1.767 1.00 0.19 O ATOM 263 C5' DG A 9 9.451 2.924 -0.468 1.00 0.17 C ATOM 264 C4' DG A 9 8.856 2.050 0.641 1.00 0.15 C ATOM 265 O4' DG A 9 7.445 2.234 0.756 1.00 0.15 O ATOM 266 C3' DG A 9 9.054 0.539 0.456 1.00 0.15 C ATOM 267 O3' DG A 9 10.165 0.090 1.264 1.00 0.18 O ATOM 268 C2' DG A 9 7.722 -0.069 0.949 1.00 0.14 C ATOM 269 C1' DG A 9 7.020 1.134 1.537 1.00 0.13 C ATOM 270 N9 DG A 9 5.540 1.054 1.585 1.00 0.12 N ATOM 271 C8 DG A 9 4.774 1.120 2.709 1.00 0.14 C ATOM 272 N7 DG A 9 3.497 0.987 2.503 1.00 0.14 N ATOM 273 C5 DG A 9 3.399 0.813 1.128 1.00 0.12 C ATOM 274 C6 DG A 9 2.241 0.614 0.331 1.00 0.13 C ATOM 275 O6 DG A 9 1.068 0.556 0.712 1.00 0.15 O ATOM 276 N1 DG A 9 2.564 0.481 -1.021 1.00 0.11 N ATOM 277 C2 DG A 9 3.840 0.526 -1.530 1.00 0.10 C ATOM 278 N2 DG A 9 3.951 0.356 -2.847 1.00 0.11 N ATOM 279 N3 DG A 9 4.938 0.713 -0.778 1.00 0.11 N ATOM 280 C4 DG A 9 4.644 0.850 0.542 1.00 0.11 C ATOM 0 H5' DG A 9 8.948 3.891 -0.472 1.00 0.17 H new ATOM 0 H5'' DG A 9 10.502 3.113 -0.251 1.00 0.17 H new ATOM 0 H4' DG A 9 9.401 2.380 1.525 1.00 0.15 H new ATOM 0 H3' DG A 9 9.283 0.251 -0.570 1.00 0.15 H new ATOM 0 H2' DG A 9 7.152 -0.515 0.134 1.00 0.14 H new ATOM 0 H2'' DG A 9 7.881 -0.851 1.692 1.00 0.14 H new ATOM 0 H1' DG A 9 7.290 1.217 2.590 1.00 0.13 H new ATOM 0 H8 DG A 9 5.194 1.271 3.693 1.00 0.14 H new ATOM 0 H1 DG A 9 1.797 0.340 -1.679 1.00 0.11 H new ATOM 0 H21 DG A 9 4.870 0.378 -3.288 1.00 0.11 H new ATOM 0 H22 DG A 9 3.117 0.204 -3.414 1.00 0.11 H new ATOM 292 P DG A 10 10.108 0.027 2.882 1.00 0.17 P ATOM 293 OP1 DG A 10 9.156 1.051 3.366 1.00 0.22 O ATOM 294 OP2 DG A 10 11.499 0.017 3.391 1.00 0.26 O ATOM 295 O5' DG A 10 9.473 -1.429 3.144 1.00 0.19 O ATOM 296 C5' DG A 10 9.314 -1.940 4.471 1.00 0.23 C ATOM 297 C4' DG A 10 8.112 -1.316 5.178 1.00 0.18 C ATOM 298 O4' DG A 10 7.059 -1.083 4.230 1.00 0.17 O ATOM 299 C3' DG A 10 7.508 -2.214 6.261 1.00 0.20 C ATOM 300 O3' DG A 10 6.780 -1.428 7.222 1.00 0.23 O ATOM 301 C2' DG A 10 6.518 -3.011 5.444 1.00 0.19 C ATOM 302 C1' DG A 10 5.941 -1.884 4.622 1.00 0.15 C ATOM 303 N9 DG A 10 5.217 -2.298 3.420 1.00 0.14 N ATOM 304 C8 DG A 10 5.700 -2.561 2.177 1.00 0.15 C ATOM 305 N7 DG A 10 4.777 -2.827 1.295 1.00 0.14 N ATOM 306 C5 DG A 10 3.595 -2.737 2.025 1.00 0.12 C ATOM 307 C6 DG A 10 2.250 -2.925 1.616 1.00 0.11 C ATOM 308 O6 DG A 10 1.820 -3.191 0.500 1.00 0.14 O ATOM 309 N1 DG A 10 1.375 -2.747 2.671 1.00 0.12 N ATOM 310 C2 DG A 10 1.740 -2.427 3.957 1.00 0.12 C ATOM 311 N2 DG A 10 0.758 -2.317 4.840 1.00 0.14 N ATOM 312 N3 DG A 10 2.994 -2.247 4.342 1.00 0.12 N ATOM 313 C4 DG A 10 3.864 -2.417 3.327 1.00 0.11 C ATOM 0 H5' DG A 10 10.218 -1.743 5.047 1.00 0.23 H new ATOM 0 H5'' DG A 10 9.191 -3.022 4.432 1.00 0.23 H new ATOM 0 H4' DG A 10 8.487 -0.400 5.635 1.00 0.18 H new ATOM 0 H3' DG A 10 8.243 -2.795 6.818 1.00 0.20 H new ATOM 0 H2' DG A 10 6.995 -3.778 4.834 1.00 0.19 H new ATOM 0 H2'' DG A 10 5.770 -3.512 6.058 1.00 0.19 H new ATOM 0 H1' DG A 10 5.201 -1.365 5.231 1.00 0.15 H new ATOM 0 H8 DG A 10 6.754 -2.551 1.941 1.00 0.15 H new ATOM 0 H1 DG A 10 0.380 -2.862 2.480 1.00 0.12 H new ATOM 0 H21 DG A 10 0.968 -2.081 5.810 1.00 0.14 H new ATOM 0 H22 DG A 10 -0.208 -2.468 4.550 1.00 0.14 H new ATOM 325 P DT A 11 7.441 -0.175 7.989 1.00 0.21 P ATOM 326 OP1 DT A 11 8.794 -0.574 8.439 1.00 0.29 O ATOM 327 OP2 DT A 11 6.463 0.328 8.979 1.00 0.30 O ATOM 328 O5' DT A 11 7.610 0.936 6.835 1.00 0.27 O ATOM 329 C5' DT A 11 8.652 1.914 6.936 1.00 0.30 C ATOM 330 C4' DT A 11 8.135 3.248 7.474 1.00 0.22 C ATOM 331 O4' DT A 11 9.226 3.993 8.033 1.00 0.27 O ATOM 332 C3' DT A 11 7.494 4.127 6.403 1.00 0.21 C ATOM 333 O3' DT A 11 6.441 4.917 6.976 1.00 0.19 O ATOM 334 C2' DT A 11 8.642 5.023 5.973 1.00 0.21 C ATOM 335 C1' DT A 11 9.380 5.215 7.303 1.00 0.22 C ATOM 336 N1 DT A 11 10.828 5.466 7.156 1.00 0.26 N ATOM 337 C2 DT A 11 11.287 6.745 7.422 1.00 0.35 C ATOM 338 O2 DT A 11 10.536 7.653 7.766 1.00 0.46 O ATOM 339 N3 DT A 11 12.643 6.943 7.279 1.00 0.40 N ATOM 340 C4 DT A 11 13.570 5.994 6.899 1.00 0.41 C ATOM 341 O4 DT A 11 14.760 6.287 6.807 1.00 0.49 O ATOM 342 C5 DT A 11 13.004 4.688 6.640 1.00 0.38 C ATOM 343 C7 DT A 11 13.916 3.541 6.210 1.00 0.50 C ATOM 344 C6 DT A 11 11.682 4.467 6.773 1.00 0.31 C ATOM 0 H5' DT A 11 9.101 2.068 5.955 1.00 0.30 H new ATOM 0 H5'' DT A 11 9.439 1.539 7.591 1.00 0.30 H new ATOM 0 H4' DT A 11 7.376 2.999 8.216 1.00 0.22 H new ATOM 0 H3' DT A 11 7.051 3.561 5.584 1.00 0.21 H new ATOM 0 H2' DT A 11 9.271 4.553 5.217 1.00 0.21 H new ATOM 0 H2'' DT A 11 8.293 5.967 5.555 1.00 0.21 H new ATOM 0 H1' DT A 11 8.957 6.089 7.797 1.00 0.22 H new ATOM 0 H3 DT A 11 12.995 7.880 7.472 1.00 0.40 H new ATOM 0 H71 DT A 11 13.501 2.596 6.559 1.00 0.50 H new ATOM 0 H72 DT A 11 13.992 3.524 5.123 1.00 0.50 H new ATOM 0 H73 DT A 11 14.907 3.683 6.641 1.00 0.50 H new ATOM 0 H6 DT A 11 11.288 3.482 6.573 1.00 0.31 H new ATOM 357 P DG A 12 5.399 5.678 6.014 1.00 0.19 P ATOM 358 OP1 DG A 12 4.635 4.644 5.280 1.00 0.25 O ATOM 359 OP2 DG A 12 6.140 6.713 5.263 1.00 0.24 O ATOM 360 O5' DG A 12 4.406 6.423 7.045 1.00 0.20 O ATOM 361 C5' DG A 12 3.011 6.580 6.745 1.00 0.20 C ATOM 362 C4' DG A 12 2.150 5.809 7.717 1.00 0.16 C ATOM 363 O4' DG A 12 0.908 5.533 7.094 1.00 0.14 O ATOM 364 C3' DG A 12 2.743 4.472 8.140 1.00 0.15 C ATOM 365 O3' DG A 12 2.260 4.150 9.454 1.00 0.16 O ATOM 366 C2' DG A 12 2.183 3.527 7.088 1.00 0.15 C ATOM 367 C1' DG A 12 0.814 4.137 6.854 1.00 0.12 C ATOM 368 N9 DG A 12 0.255 3.994 5.518 1.00 0.12 N ATOM 369 C8 DG A 12 -1.052 3.958 5.222 1.00 0.14 C ATOM 370 N7 DG A 12 -1.320 3.854 3.954 1.00 0.14 N ATOM 371 C5 DG A 12 -0.064 3.830 3.362 1.00 0.12 C ATOM 372 C6 DG A 12 0.290 3.742 1.995 1.00 0.13 C ATOM 373 O6 DG A 12 -0.446 3.633 1.027 1.00 0.16 O ATOM 374 N1 DG A 12 1.659 3.766 1.825 1.00 0.12 N ATOM 375 C2 DG A 12 2.579 3.850 2.842 1.00 0.11 C ATOM 376 N2 DG A 12 3.848 3.850 2.478 1.00 0.12 N ATOM 377 N3 DG A 12 2.254 3.928 4.130 1.00 0.11 N ATOM 378 C4 DG A 12 0.916 3.916 4.316 1.00 0.11 C ATOM 0 H5' DG A 12 2.814 6.236 5.730 1.00 0.20 H new ATOM 0 H5'' DG A 12 2.746 7.637 6.780 1.00 0.20 H new ATOM 0 H4' DG A 12 2.058 6.431 8.608 1.00 0.16 H new ATOM 0 H3' DG A 12 3.831 4.440 8.194 1.00 0.15 H new ATOM 0 H2' DG A 12 2.789 3.512 6.182 1.00 0.15 H new ATOM 0 H2'' DG A 12 2.121 2.500 7.447 1.00 0.15 H new ATOM 0 H1' DG A 12 0.153 3.591 7.527 1.00 0.12 H new ATOM 0 H8 DG A 12 -1.822 4.011 5.978 1.00 0.14 H new ATOM 0 H1 DG A 12 2.016 3.718 0.871 1.00 0.12 H new ATOM 0 H21 DG A 12 4.581 3.910 3.185 1.00 0.12 H new ATOM 0 H22 DG A 12 4.095 3.790 1.490 1.00 0.12 H new ATOM 390 P DG A 13 2.213 2.637 10.004 1.00 0.18 P ATOM 391 OP1 DG A 13 2.192 2.685 11.483 1.00 0.26 O ATOM 392 OP2 DG A 13 3.255 1.847 9.306 1.00 0.20 O ATOM 393 O5' DG A 13 0.761 2.143 9.495 1.00 0.24 O ATOM 394 C5' DG A 13 -0.425 2.821 9.935 1.00 0.20 C ATOM 395 C4' DG A 13 -1.700 2.046 9.598 1.00 0.17 C ATOM 396 O4' DG A 13 -2.023 2.171 8.209 1.00 0.17 O ATOM 397 C3' DG A 13 -1.618 0.541 9.894 1.00 0.17 C ATOM 398 O3' DG A 13 -2.459 0.231 11.017 1.00 0.24 O ATOM 399 C2' DG A 13 -2.167 -0.124 8.626 1.00 0.14 C ATOM 400 C1' DG A 13 -2.817 1.039 7.892 1.00 0.13 C ATOM 401 N9 DG A 13 -2.889 0.891 6.418 1.00 0.12 N ATOM 402 C8 DG A 13 -4.008 0.714 5.635 1.00 0.13 C ATOM 403 N7 DG A 13 -3.762 0.609 4.369 1.00 0.14 N ATOM 404 C5 DG A 13 -2.389 0.727 4.291 1.00 0.11 C ATOM 405 C6 DG A 13 -1.568 0.696 3.158 1.00 0.11 C ATOM 406 O6 DG A 13 -1.888 0.566 2.009 1.00 0.16 O ATOM 407 N1 DG A 13 -0.259 0.848 3.458 1.00 0.10 N ATOM 408 C2 DG A 13 0.253 1.013 4.725 1.00 0.10 C ATOM 409 N2 DG A 13 1.575 1.147 4.822 1.00 0.13 N ATOM 410 N3 DG A 13 -0.515 1.047 5.827 1.00 0.11 N ATOM 411 C4 DG A 13 -1.832 0.898 5.530 1.00 0.11 C ATOM 0 H5' DG A 13 -0.469 3.807 9.472 1.00 0.20 H new ATOM 0 H5'' DG A 13 -0.372 2.977 11.012 1.00 0.20 H new ATOM 0 H4' DG A 13 -2.461 2.490 10.239 1.00 0.17 H new ATOM 0 H3' DG A 13 -0.609 0.207 10.135 1.00 0.17 H new ATOM 0 H2' DG A 13 -1.375 -0.584 8.035 1.00 0.14 H new ATOM 0 H2'' DG A 13 -2.887 -0.908 8.860 1.00 0.14 H new ATOM 0 H1' DG A 13 -3.857 1.113 8.211 1.00 0.13 H new ATOM 0 H8 DG A 13 -5.007 0.667 6.043 1.00 0.13 H new ATOM 0 H1 DG A 13 0.403 0.840 2.682 1.00 0.10 H new ATOM 0 H21 DG A 13 2.009 1.272 5.736 1.00 0.13 H new ATOM 0 H22 DG A 13 2.153 1.124 3.982 1.00 0.13 H new ATOM 423 P DG A 14 -2.295 -1.160 11.819 1.00 0.26 P ATOM 424 OP1 DG A 14 -2.964 -1.018 13.132 1.00 0.33 O ATOM 425 OP2 DG A 14 -0.873 -1.568 11.755 1.00 0.32 O ATOM 426 O5' DG A 14 -3.155 -2.180 10.926 1.00 0.24 O ATOM 427 C5' DG A 14 -4.579 -2.218 11.042 1.00 0.21 C ATOM 428 C4' DG A 14 -5.207 -2.981 9.887 1.00 0.16 C ATOM 429 O4' DG A 14 -4.928 -2.305 8.669 1.00 0.18 O ATOM 430 C3' DG A 14 -4.671 -4.399 9.725 1.00 0.15 C ATOM 431 O3' DG A 14 -5.523 -5.317 10.420 1.00 0.16 O ATOM 432 C2' DG A 14 -4.729 -4.661 8.219 1.00 0.14 C ATOM 433 C1' DG A 14 -4.919 -3.258 7.606 1.00 0.14 C ATOM 434 N9 DG A 14 -3.827 -2.897 6.696 1.00 0.13 N ATOM 435 C8 DG A 14 -2.524 -2.611 6.995 1.00 0.13 C ATOM 436 N7 DG A 14 -1.781 -2.389 5.957 1.00 0.13 N ATOM 437 C5 DG A 14 -2.652 -2.540 4.891 1.00 0.12 C ATOM 438 C6 DG A 14 -2.409 -2.425 3.507 1.00 0.12 C ATOM 439 O6 DG A 14 -1.368 -2.135 2.945 1.00 0.15 O ATOM 440 N1 DG A 14 -3.547 -2.669 2.770 1.00 0.12 N ATOM 441 C2 DG A 14 -4.777 -2.974 3.296 1.00 0.13 C ATOM 442 N2 DG A 14 -5.755 -3.184 2.421 1.00 0.16 N ATOM 443 N3 DG A 14 -5.017 -3.075 4.602 1.00 0.13 N ATOM 444 C4 DG A 14 -3.908 -2.849 5.335 1.00 0.12 C ATOM 0 H5' DG A 14 -4.971 -1.201 11.065 1.00 0.21 H new ATOM 0 H5'' DG A 14 -4.857 -2.688 11.985 1.00 0.21 H new ATOM 0 H4' DG A 14 -6.272 -3.034 10.113 1.00 0.16 H new ATOM 0 H3' DG A 14 -3.665 -4.520 10.127 1.00 0.15 H new ATOM 0 H2' DG A 14 -3.815 -5.133 7.860 1.00 0.14 H new ATOM 0 H2'' DG A 14 -5.554 -5.325 7.960 1.00 0.14 H new ATOM 0 H1' DG A 14 -5.851 -3.263 7.042 1.00 0.14 H new ATOM 0 H8 DG A 14 -2.147 -2.573 8.007 1.00 0.13 H new ATOM 0 H1 DG A 14 -3.469 -2.619 1.754 1.00 0.12 H new ATOM 0 H21 DG A 14 -6.693 -3.415 2.750 1.00 0.16 H new ATOM 0 H22 DG A 14 -5.568 -3.114 1.421 1.00 0.16 H new ATOM 456 P DT A 15 -5.155 -6.885 10.478 1.00 0.21 P ATOM 457 OP1 DT A 15 -6.049 -7.540 11.456 1.00 0.33 O ATOM 458 OP2 DT A 15 -3.686 -7.013 10.616 1.00 0.28 O ATOM 459 O5' DT A 15 -5.575 -7.383 9.007 1.00 0.21 O ATOM 460 C5' DT A 15 -4.818 -8.380 8.313 1.00 0.22 C ATOM 461 C4' DT A 15 -5.109 -8.343 6.814 1.00 0.20 C ATOM 462 O4' DT A 15 -4.647 -7.121 6.257 1.00 0.18 O ATOM 463 C3' DT A 15 -4.401 -9.417 6.004 1.00 0.20 C ATOM 464 O3' DT A 15 -5.198 -10.612 5.930 1.00 0.27 O ATOM 465 C2' DT A 15 -4.307 -8.796 4.608 1.00 0.20 C ATOM 466 C1' DT A 15 -4.595 -7.323 4.848 1.00 0.18 C ATOM 467 N1 DT A 15 -3.577 -6.449 4.253 1.00 0.17 N ATOM 468 C2 DT A 15 -3.871 -5.895 3.028 1.00 0.21 C ATOM 469 O2 DT A 15 -4.983 -5.992 2.514 1.00 0.27 O ATOM 470 N3 DT A 15 -2.856 -5.200 2.417 1.00 0.22 N ATOM 471 C4 DT A 15 -1.591 -5.001 2.917 1.00 0.20 C ATOM 472 O4 DT A 15 -0.742 -4.399 2.262 1.00 0.25 O ATOM 473 C5 DT A 15 -1.378 -5.591 4.211 1.00 0.16 C ATOM 474 C7 DT A 15 -0.051 -5.363 4.902 1.00 0.19 C ATOM 475 C6 DT A 15 -2.351 -6.290 4.830 1.00 0.15 C ATOM 0 H5' DT A 15 -5.059 -9.366 8.710 1.00 0.22 H new ATOM 0 H5'' DT A 15 -3.754 -8.219 8.485 1.00 0.22 H new ATOM 0 H4' DT A 15 -6.188 -8.486 6.752 1.00 0.20 H new ATOM 0 H3' DT A 15 -3.441 -9.699 6.435 1.00 0.20 H new ATOM 0 H2' DT A 15 -3.320 -8.945 4.169 1.00 0.20 H new ATOM 0 H2'' DT A 15 -5.030 -9.239 3.923 1.00 0.20 H new ATOM 0 H1' DT A 15 -5.541 -7.064 4.372 1.00 0.18 H new ATOM 0 H3 DT A 15 -3.060 -4.792 1.505 1.00 0.22 H new ATOM 0 H71 DT A 15 0.733 -5.241 4.154 1.00 0.19 H new ATOM 0 H72 DT A 15 -0.110 -4.464 5.515 1.00 0.19 H new ATOM 0 H73 DT A 15 0.182 -6.219 5.535 1.00 0.19 H new ATOM 0 H6 DT A 15 -2.157 -6.730 5.797 1.00 0.15 H new ATOM 488 P DT A 16 -4.705 -11.930 5.111 1.00 0.26 P ATOM 489 OP1 DT A 16 -5.860 -12.436 4.334 1.00 0.35 O ATOM 490 OP2 DT A 16 -4.021 -12.832 6.065 1.00 0.35 O ATOM 491 O5' DT A 16 -3.591 -11.378 4.061 1.00 0.23 O ATOM 492 C5' DT A 16 -3.892 -11.120 2.667 1.00 0.21 C ATOM 493 C4' DT A 16 -2.621 -10.765 1.874 1.00 0.20 C ATOM 494 O4' DT A 16 -1.797 -9.880 2.646 1.00 0.22 O ATOM 495 C3' DT A 16 -1.752 -11.967 1.477 1.00 0.22 C ATOM 496 O3' DT A 16 -1.367 -11.804 0.110 1.00 0.25 O ATOM 497 C2' DT A 16 -0.500 -11.848 2.368 1.00 0.26 C ATOM 498 C1' DT A 16 -0.445 -10.352 2.640 1.00 0.26 C ATOM 499 N1 DT A 16 0.141 -9.994 3.944 1.00 0.28 N ATOM 500 C2 DT A 16 1.242 -9.157 3.948 1.00 0.36 C ATOM 501 O2 DT A 16 1.748 -8.727 2.913 1.00 0.44 O ATOM 502 N3 DT A 16 1.741 -8.825 5.188 1.00 0.39 N ATOM 503 C4 DT A 16 1.243 -9.245 6.408 1.00 0.36 C ATOM 504 O4 DT A 16 1.760 -8.870 7.457 1.00 0.42 O ATOM 505 C5 DT A 16 0.094 -10.115 6.306 1.00 0.28 C ATOM 506 C7 DT A 16 -0.570 -10.638 7.576 1.00 0.30 C ATOM 507 C6 DT A 16 -0.410 -10.457 5.106 1.00 0.26 C ATOM 0 H5' DT A 16 -4.609 -10.302 2.593 1.00 0.21 H new ATOM 0 H5'' DT A 16 -4.364 -11.998 2.227 1.00 0.21 H new ATOM 0 H4' DT A 16 -2.985 -10.306 0.955 1.00 0.20 H new ATOM 0 H3' DT A 16 -2.259 -12.925 1.595 1.00 0.22 H new ATOM 0 H2' DT A 16 -0.597 -12.426 3.287 1.00 0.26 H new ATOM 0 H2'' DT A 16 0.397 -12.204 1.861 1.00 0.26 H new ATOM 0 H1' DT A 16 0.186 -9.907 1.871 1.00 0.26 H new ATOM 0 H3 DT A 16 2.555 -8.211 5.209 1.00 0.39 H new ATOM 0 H71 DT A 16 0.176 -10.729 8.366 1.00 0.30 H new ATOM 0 H72 DT A 16 -1.349 -9.944 7.891 1.00 0.30 H new ATOM 0 H73 DT A 16 -1.012 -11.615 7.380 1.00 0.30 H new ATOM 0 H6 DT A 16 -1.268 -11.111 5.060 1.00 0.26 H new ATOM 520 P DT A 17 -0.600 -12.963 -0.711 1.00 0.26 P ATOM 521 OP1 DT A 17 -1.599 -13.965 -1.147 1.00 0.39 O ATOM 522 OP2 DT A 17 0.592 -13.391 0.057 1.00 0.39 O ATOM 523 O5' DT A 17 -0.095 -12.154 -2.011 1.00 0.19 O ATOM 524 C5' DT A 17 -0.878 -11.070 -2.519 1.00 0.18 C ATOM 525 C4' DT A 17 -0.232 -10.424 -3.759 1.00 0.18 C ATOM 526 O4' DT A 17 -1.155 -9.496 -4.348 1.00 0.20 O ATOM 527 C3' DT A 17 1.056 -9.647 -3.441 1.00 0.18 C ATOM 528 O3' DT A 17 2.177 -10.138 -4.184 1.00 0.19 O ATOM 529 C2' DT A 17 0.787 -8.218 -3.885 1.00 0.22 C ATOM 530 C1' DT A 17 -0.737 -8.165 -4.031 1.00 0.18 C ATOM 531 N1 DT A 17 -1.465 -7.728 -2.810 1.00 0.14 N ATOM 532 C2 DT A 17 -0.968 -6.633 -2.110 1.00 0.15 C ATOM 533 O2 DT A 17 0.014 -5.992 -2.473 1.00 0.18 O ATOM 534 N3 DT A 17 -1.688 -6.244 -1.007 1.00 0.18 N ATOM 535 C4 DT A 17 -2.846 -6.820 -0.545 1.00 0.17 C ATOM 536 O4 DT A 17 -3.428 -6.349 0.414 1.00 0.25 O ATOM 537 C5 DT A 17 -3.300 -7.945 -1.315 1.00 0.13 C ATOM 538 C7 DT A 17 -4.579 -8.658 -0.875 1.00 0.15 C ATOM 539 C6 DT A 17 -2.614 -8.364 -2.405 1.00 0.15 C ATOM 0 H5' DT A 17 -1.003 -10.317 -1.741 1.00 0.18 H new ATOM 0 H5'' DT A 17 -1.874 -11.431 -2.775 1.00 0.18 H new ATOM 0 H4' DT A 17 0.019 -11.244 -4.432 1.00 0.18 H new ATOM 0 H3' DT A 17 1.297 -9.742 -2.382 1.00 0.18 H new ATOM 0 H2' DT A 17 1.144 -7.496 -3.150 1.00 0.22 H new ATOM 0 H2'' DT A 17 1.288 -7.990 -4.826 1.00 0.22 H new ATOM 0 H1' DT A 17 -0.972 -7.425 -4.797 1.00 0.18 H new ATOM 0 H3 DT A 17 -1.327 -5.449 -0.479 1.00 0.18 H new ATOM 0 H71 DT A 17 -4.688 -8.575 0.206 1.00 0.15 H new ATOM 0 H72 DT A 17 -5.438 -8.198 -1.363 1.00 0.15 H new ATOM 0 H73 DT A 17 -4.523 -9.710 -1.154 1.00 0.15 H new ATOM 0 H6 DT A 17 -2.976 -9.213 -2.966 1.00 0.15 H new ATOM 552 P DT A 18 3.663 -10.010 -3.551 1.00 0.19 P ATOM 553 OP1 DT A 18 4.634 -10.531 -4.531 1.00 0.22 O ATOM 554 OP2 DT A 18 3.617 -10.621 -2.202 1.00 0.22 O ATOM 555 O5' DT A 18 3.877 -8.400 -3.350 1.00 0.21 O ATOM 556 C5' DT A 18 4.234 -7.451 -4.397 1.00 0.17 C ATOM 557 C4' DT A 18 5.504 -7.839 -5.170 1.00 0.16 C ATOM 558 O4' DT A 18 5.237 -8.929 -6.057 1.00 0.18 O ATOM 559 C3' DT A 18 6.061 -6.724 -6.041 1.00 0.17 C ATOM 560 O3' DT A 18 7.474 -6.889 -6.203 1.00 0.20 O ATOM 561 C2' DT A 18 5.368 -6.943 -7.372 1.00 0.20 C ATOM 562 C1' DT A 18 5.199 -8.458 -7.412 1.00 0.19 C ATOM 563 N1 DT A 18 3.917 -8.893 -8.003 1.00 0.22 N ATOM 564 C2 DT A 18 3.607 -8.436 -9.274 1.00 0.26 C ATOM 565 O2 DT A 18 4.382 -7.756 -9.938 1.00 0.32 O ATOM 566 N3 DT A 18 2.372 -8.803 -9.764 1.00 0.27 N ATOM 567 C4 DT A 18 1.433 -9.571 -9.108 1.00 0.25 C ATOM 568 O4 DT A 18 0.359 -9.834 -9.643 1.00 0.30 O ATOM 569 C5 DT A 18 1.844 -10.005 -7.793 1.00 0.21 C ATOM 570 C7 DT A 18 0.891 -10.812 -6.932 1.00 0.23 C ATOM 571 C6 DT A 18 3.042 -9.670 -7.293 1.00 0.20 C ATOM 0 H5' DT A 18 4.376 -6.467 -3.951 1.00 0.17 H new ATOM 0 H5'' DT A 18 3.404 -7.366 -5.098 1.00 0.17 H new ATOM 0 H4' DT A 18 6.230 -8.090 -4.396 1.00 0.16 H new ATOM 0 H3' DT A 18 5.897 -5.731 -5.623 1.00 0.17 H new ATOM 0 H2' DT A 18 4.409 -6.427 -7.420 1.00 0.20 H new ATOM 0 H2'' DT A 18 5.968 -6.580 -8.206 1.00 0.20 H new ATOM 0 H1' DT A 18 5.997 -8.863 -8.035 1.00 0.19 H new ATOM 0 H3 DT A 18 2.130 -8.476 -10.699 1.00 0.27 H new ATOM 0 H71 DT A 18 1.461 -11.477 -6.283 1.00 0.23 H new ATOM 0 H72 DT A 18 0.291 -10.137 -6.323 1.00 0.23 H new ATOM 0 H73 DT A 18 0.235 -11.404 -7.571 1.00 0.23 H new ATOM 0 H6 DT A 18 3.322 -10.020 -6.311 1.00 0.20 H new ATOM 584 P DG A 19 8.500 -6.374 -5.075 1.00 0.22 P ATOM 585 OP1 DG A 19 9.632 -7.325 -5.014 1.00 0.33 O ATOM 586 OP2 DG A 19 7.731 -6.069 -3.849 1.00 0.24 O ATOM 587 O5' DG A 19 9.046 -4.987 -5.678 1.00 0.18 O ATOM 588 C5' DG A 19 8.270 -3.785 -5.599 1.00 0.15 C ATOM 589 C4' DG A 19 7.190 -3.747 -6.667 1.00 0.12 C ATOM 590 O4' DG A 19 5.956 -4.207 -6.118 1.00 0.13 O ATOM 591 C3' DG A 19 6.943 -2.366 -7.258 1.00 0.11 C ATOM 592 O3' DG A 19 7.064 -2.469 -8.682 1.00 0.15 O ATOM 593 C2' DG A 19 5.509 -2.046 -6.853 1.00 0.10 C ATOM 594 C1' DG A 19 4.914 -3.428 -6.674 1.00 0.10 C ATOM 595 N9 DG A 19 3.762 -3.483 -5.755 1.00 0.10 N ATOM 596 C8 DG A 19 2.429 -3.619 -6.049 1.00 0.11 C ATOM 597 N7 DG A 19 1.652 -3.602 -5.001 1.00 0.12 N ATOM 598 C5 DG A 19 2.536 -3.447 -3.939 1.00 0.11 C ATOM 599 C6 DG A 19 2.279 -3.363 -2.550 1.00 0.13 C ATOM 600 O6 DG A 19 1.196 -3.386 -1.976 1.00 0.16 O ATOM 601 N1 DG A 19 3.446 -3.215 -1.827 1.00 0.13 N ATOM 602 C2 DG A 19 4.707 -3.150 -2.361 1.00 0.12 C ATOM 603 N2 DG A 19 5.700 -2.984 -1.496 1.00 0.13 N ATOM 604 N3 DG A 19 4.959 -3.228 -3.664 1.00 0.12 N ATOM 605 C4 DG A 19 3.828 -3.376 -4.393 1.00 0.10 C ATOM 0 H5' DG A 19 8.924 -2.920 -5.711 1.00 0.15 H new ATOM 0 H5'' DG A 19 7.811 -3.711 -4.613 1.00 0.15 H new ATOM 0 H4' DG A 19 7.553 -4.389 -7.469 1.00 0.12 H new ATOM 0 H3' DG A 19 7.637 -1.597 -6.918 1.00 0.11 H new ATOM 0 H2' DG A 19 5.466 -1.461 -5.934 1.00 0.10 H new ATOM 0 H2'' DG A 19 4.987 -1.474 -7.620 1.00 0.10 H new ATOM 0 H1' DG A 19 4.541 -3.776 -7.637 1.00 0.10 H new ATOM 0 H8 DG A 19 2.056 -3.730 -7.057 1.00 0.11 H new ATOM 0 H1 DG A 19 3.363 -3.149 -0.813 1.00 0.13 H new ATOM 0 H21 DG A 19 6.662 -2.928 -1.829 1.00 0.13 H new ATOM 0 H22 DG A 19 5.501 -2.913 -0.498 1.00 0.13 H new ATOM 617 P DG A 20 6.857 -1.194 -9.633 1.00 0.17 P ATOM 618 OP1 DG A 20 7.340 -1.550 -10.985 1.00 0.23 O ATOM 619 OP2 DG A 20 7.398 -0.004 -8.943 1.00 0.22 O ATOM 620 O5' DG A 20 5.256 -1.068 -9.677 1.00 0.19 O ATOM 621 C5' DG A 20 4.437 -2.098 -10.243 1.00 0.18 C ATOM 622 C4' DG A 20 2.967 -1.703 -10.188 1.00 0.20 C ATOM 623 O4' DG A 20 2.466 -1.846 -8.858 1.00 0.16 O ATOM 624 C3' DG A 20 2.742 -0.252 -10.585 1.00 0.27 C ATOM 625 O3' DG A 20 2.238 -0.185 -11.920 1.00 0.42 O ATOM 626 C2' DG A 20 1.686 0.266 -9.612 1.00 0.15 C ATOM 627 C1' DG A 20 1.402 -0.912 -8.679 1.00 0.13 C ATOM 628 N9 DG A 20 1.375 -0.553 -7.252 1.00 0.11 N ATOM 629 C8 DG A 20 2.418 -0.241 -6.452 1.00 0.11 C ATOM 630 N7 DG A 20 2.124 -0.107 -5.200 1.00 0.11 N ATOM 631 C5 DG A 20 0.765 -0.329 -5.166 1.00 0.10 C ATOM 632 C6 DG A 20 -0.114 -0.308 -4.070 1.00 0.10 C ATOM 633 O6 DG A 20 0.166 -0.098 -2.879 1.00 0.12 O ATOM 634 N1 DG A 20 -1.418 -0.575 -4.477 1.00 0.10 N ATOM 635 C2 DG A 20 -1.809 -0.823 -5.785 1.00 0.11 C ATOM 636 N2 DG A 20 -3.105 -0.976 -6.014 1.00 0.13 N ATOM 637 N3 DG A 20 -0.969 -0.851 -6.807 1.00 0.11 N ATOM 638 C4 DG A 20 0.292 -0.597 -6.426 1.00 0.10 C ATOM 0 H5' DG A 20 4.589 -3.031 -9.700 1.00 0.18 H new ATOM 0 H5'' DG A 20 4.732 -2.279 -11.277 1.00 0.18 H new ATOM 0 H4' DG A 20 2.452 -2.360 -10.889 1.00 0.20 H new ATOM 0 H3' DG A 20 3.662 0.331 -10.548 1.00 0.27 H new ATOM 0 H2' DG A 20 2.050 1.131 -9.057 1.00 0.15 H new ATOM 0 H2'' DG A 20 0.784 0.580 -10.138 1.00 0.15 H new ATOM 0 H1' DG A 20 0.416 -1.301 -8.932 1.00 0.13 H new ATOM 0 H8 DG A 20 3.422 -0.113 -6.830 1.00 0.11 H new ATOM 0 H1 DG A 20 -2.142 -0.589 -3.758 1.00 0.10 H new ATOM 0 H21 DG A 20 -3.437 -1.160 -6.961 1.00 0.13 H new ATOM 0 H22 DG A 20 -3.770 -0.910 -5.244 1.00 0.13 H new ATOM 650 P DG A 21 2.271 1.211 -12.722 1.00 0.58 P ATOM 651 OP1 DG A 21 2.284 0.908 -14.170 1.00 0.83 O ATOM 652 OP2 DG A 21 3.334 2.059 -12.139 1.00 0.83 O ATOM 653 O5' DG A 21 0.849 1.864 -12.358 1.00 0.35 O ATOM 654 C5' DG A 21 -0.351 1.320 -12.908 1.00 0.36 C ATOM 655 C4' DG A 21 -1.590 1.929 -12.272 1.00 0.35 C ATOM 656 O4' DG A 21 -1.566 1.704 -10.865 1.00 0.28 O ATOM 657 C3' DG A 21 -1.756 3.433 -12.505 1.00 0.52 C ATOM 658 O3' DG A 21 -3.087 3.743 -12.933 1.00 0.93 O ATOM 659 C2' DG A 21 -1.465 4.038 -11.142 1.00 0.36 C ATOM 660 C1' DG A 21 -1.878 2.919 -10.203 1.00 0.24 C ATOM 661 N9 DG A 21 -1.146 2.896 -8.942 1.00 0.19 N ATOM 662 C8 DG A 21 0.198 2.873 -8.763 1.00 0.17 C ATOM 663 N7 DG A 21 0.571 2.778 -7.512 1.00 0.16 N ATOM 664 C5 DG A 21 -0.640 2.740 -6.830 1.00 0.13 C ATOM 665 C6 DG A 21 -0.897 2.639 -5.450 1.00 0.12 C ATOM 666 O6 DG A 21 -0.111 2.551 -4.545 1.00 0.18 O ATOM 667 N1 DG A 21 -2.236 2.633 -5.173 1.00 0.11 N ATOM 668 C2 DG A 21 -3.233 2.721 -6.112 1.00 0.15 C ATOM 669 N2 DG A 21 -4.477 2.740 -5.661 1.00 0.17 N ATOM 670 N3 DG A 21 -3.006 2.811 -7.418 1.00 0.19 N ATOM 671 C4 DG A 21 -1.690 2.815 -7.700 1.00 0.16 C ATOM 0 H5' DG A 21 -0.361 0.240 -12.762 1.00 0.36 H new ATOM 0 H5'' DG A 21 -0.370 1.496 -13.983 1.00 0.36 H new ATOM 0 H4' DG A 21 -2.432 1.436 -12.757 1.00 0.35 H new ATOM 0 H3' DG A 21 -1.100 3.816 -13.287 1.00 0.52 H new ATOM 0 H2' DG A 21 -0.413 4.298 -11.028 1.00 0.36 H new ATOM 0 H2'' DG A 21 -2.039 4.948 -10.969 1.00 0.36 H new ATOM 0 HO3' DG A 21 -3.169 4.709 -13.074 1.00 0.93 H new ATOM 0 H1' DG A 21 -2.933 3.063 -9.969 1.00 0.24 H new ATOM 0 H8 DG A 21 0.900 2.928 -9.582 1.00 0.17 H new ATOM 0 H1 DG A 21 -2.515 2.557 -4.195 1.00 0.11 H new ATOM 0 H21 DG A 21 -5.256 2.804 -6.316 1.00 0.17 H new ATOM 0 H22 DG A 21 -4.657 2.690 -4.658 1.00 0.17 H new TER 684 DG A 21