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 150:sc= -5.43! (180deg=-4.16!) USER MOD Set 1.2: A 6 DT C7 :methyl 150:sc= -5.28! (180deg=-3.99!) USER MOD Single : A 1 DG O5' : rot 180:sc= -0.0176 USER MOD Single : A 4 DT C7 :methyl -30:sc= -21.9! (180deg=-30!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -5.16! (180deg=-6.84!) USER MOD Single : A 11 DT C7 :methyl -30:sc= 0 (180deg=-0.00312) USER MOD Single : A 15 DT C7 :methyl -30:sc= -1.14 (180deg=-3.6!) USER MOD Single : A 16 DT C7 :methyl -30:sc= -0.0074 (180deg=-0.217) USER MOD Single : A 17 DT C7 :methyl -30:sc=-0.00585 (180deg=-1.28) USER MOD Single : A 18 DT C7 :methyl 150:sc= -2.39! (180deg=-2.39!) USER MOD Single : A 21 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.203 -6.290 -7.536 1.00 0.50 O ATOM 2 C5' DG A 1 -4.290 -6.335 -6.110 1.00 0.38 C ATOM 3 C4' DG A 1 -5.654 -5.852 -5.616 1.00 0.25 C ATOM 4 O4' DG A 1 -5.625 -5.758 -4.186 1.00 0.24 O ATOM 5 C3' DG A 1 -6.060 -4.481 -6.165 1.00 0.22 C ATOM 6 O3' DG A 1 -7.424 -4.514 -6.651 1.00 0.23 O ATOM 7 C2' DG A 1 -5.927 -3.541 -4.971 1.00 0.18 C ATOM 8 C1' DG A 1 -6.107 -4.475 -3.783 1.00 0.16 C ATOM 9 N9 DG A 1 -5.361 -4.084 -2.568 1.00 0.15 N ATOM 10 C8 DG A 1 -5.844 -3.889 -1.299 1.00 0.17 C ATOM 11 N7 DG A 1 -4.922 -3.630 -0.414 1.00 0.16 N ATOM 12 C5 DG A 1 -3.741 -3.652 -1.149 1.00 0.14 C ATOM 13 C6 DG A 1 -2.406 -3.445 -0.720 1.00 0.14 C ATOM 14 O6 DG A 1 -2.003 -3.206 0.408 1.00 0.17 O ATOM 15 N1 DG A 1 -1.505 -3.552 -1.759 1.00 0.14 N ATOM 16 C2 DG A 1 -1.844 -3.820 -3.070 1.00 0.15 C ATOM 17 N2 DG A 1 -0.844 -3.845 -3.952 1.00 0.16 N ATOM 18 N3 DG A 1 -3.101 -4.020 -3.482 1.00 0.15 N ATOM 19 C4 DG A 1 -3.996 -3.922 -2.468 1.00 0.14 C ATOM 0 H5' DG A 1 -3.505 -5.715 -5.677 1.00 0.38 H new ATOM 0 H5'' DG A 1 -4.118 -7.355 -5.766 1.00 0.38 H new ATOM 0 H4' DG A 1 -6.384 -6.579 -5.972 1.00 0.25 H new ATOM 0 H3' DG A 1 -5.444 -4.166 -7.007 1.00 0.22 H new ATOM 0 H2' DG A 1 -4.956 -3.046 -4.952 1.00 0.18 H new ATOM 0 H2'' DG A 1 -6.684 -2.757 -4.987 1.00 0.18 H new ATOM 0 HO5' DG A 1 -3.319 -6.603 -7.820 1.00 0.50 H new ATOM 0 H1' DG A 1 -7.164 -4.453 -3.518 1.00 0.16 H new ATOM 0 H8 DG A 1 -6.894 -3.945 -1.055 1.00 0.17 H new ATOM 0 H1 DG A 1 -0.516 -3.424 -1.543 1.00 0.14 H new ATOM 0 H21 DG A 1 -1.036 -4.038 -4.935 1.00 0.16 H new ATOM 0 H22 DG A 1 0.113 -3.671 -3.643 1.00 0.16 H new ATOM 32 P DG A 2 -8.691 -4.871 -5.709 1.00 0.22 P ATOM 33 OP1 DG A 2 -8.362 -6.072 -4.907 1.00 0.27 O ATOM 34 OP2 DG A 2 -9.903 -4.866 -6.557 1.00 0.29 O ATOM 35 O5' DG A 2 -8.762 -3.602 -4.725 1.00 0.22 O ATOM 36 C5' DG A 2 -9.639 -3.589 -3.596 1.00 0.23 C ATOM 37 C4' DG A 2 -9.467 -2.313 -2.781 1.00 0.19 C ATOM 38 O4' DG A 2 -8.105 -2.202 -2.355 1.00 0.18 O ATOM 39 C3' DG A 2 -9.812 -1.030 -3.554 1.00 0.19 C ATOM 40 O3' DG A 2 -10.898 -0.325 -2.906 1.00 0.19 O ATOM 41 C2' DG A 2 -8.531 -0.190 -3.518 1.00 0.21 C ATOM 42 C1' DG A 2 -7.733 -0.830 -2.392 1.00 0.16 C ATOM 43 N9 DG A 2 -6.278 -0.765 -2.536 1.00 0.15 N ATOM 44 C8 DG A 2 -5.511 -0.821 -3.665 1.00 0.16 C ATOM 45 N7 DG A 2 -4.242 -0.647 -3.443 1.00 0.16 N ATOM 46 C5 DG A 2 -4.167 -0.471 -2.071 1.00 0.14 C ATOM 47 C6 DG A 2 -3.045 -0.239 -1.246 1.00 0.15 C ATOM 48 O6 DG A 2 -1.877 -0.123 -1.561 1.00 0.16 O ATOM 49 N1 DG A 2 -3.404 -0.121 0.067 1.00 0.15 N ATOM 50 C2 DG A 2 -4.670 -0.212 0.560 1.00 0.15 C ATOM 51 N2 DG A 2 -4.791 -0.056 1.879 1.00 0.17 N ATOM 52 N3 DG A 2 -5.738 -0.431 -0.203 1.00 0.15 N ATOM 53 C4 DG A 2 -5.408 -0.548 -1.508 1.00 0.15 C ATOM 0 H5' DG A 2 -9.439 -4.456 -2.966 1.00 0.23 H new ATOM 0 H5'' DG A 2 -10.672 -3.672 -3.933 1.00 0.23 H new ATOM 0 H4' DG A 2 -10.161 -2.398 -1.945 1.00 0.19 H new ATOM 0 H3' DG A 2 -10.137 -1.240 -4.573 1.00 0.19 H new ATOM 0 H2' DG A 2 -7.995 -0.231 -4.466 1.00 0.21 H new ATOM 0 H2'' DG A 2 -8.743 0.860 -3.316 1.00 0.21 H new ATOM 0 H1' DG A 2 -7.965 -0.272 -1.485 1.00 0.16 H new ATOM 0 H8 DG A 2 -5.920 -0.994 -4.649 1.00 0.16 H new ATOM 0 H1 DG A 2 -2.656 0.051 0.739 1.00 0.15 H new ATOM 0 H21 DG A 2 -5.711 -0.112 2.317 1.00 0.17 H new ATOM 0 H22 DG A 2 -3.964 0.119 2.450 1.00 0.17 H new ATOM 65 P DG A 3 -10.950 -0.061 -1.307 1.00 0.21 P ATOM 66 OP1 DG A 3 -9.742 -0.635 -0.684 1.00 0.28 O ATOM 67 OP2 DG A 3 -12.282 -0.467 -0.813 1.00 0.28 O ATOM 68 O5' DG A 3 -10.850 1.541 -1.193 1.00 0.23 O ATOM 69 C5' DG A 3 -10.980 2.175 0.083 1.00 0.29 C ATOM 70 C4' DG A 3 -10.015 3.345 0.232 1.00 0.23 C ATOM 71 O4' DG A 3 -8.694 2.929 -0.128 1.00 0.21 O ATOM 72 C3' DG A 3 -10.352 4.565 -0.649 1.00 0.26 C ATOM 73 O3' DG A 3 -10.469 5.731 0.171 1.00 0.28 O ATOM 74 C2' DG A 3 -9.142 4.706 -1.560 1.00 0.24 C ATOM 75 C1' DG A 3 -8.067 4.062 -0.691 1.00 0.18 C ATOM 76 N9 DG A 3 -6.817 3.642 -1.366 1.00 0.15 N ATOM 77 C8 DG A 3 -6.576 3.282 -2.674 1.00 0.17 C ATOM 78 N7 DG A 3 -5.319 3.062 -2.935 1.00 0.16 N ATOM 79 C5 DG A 3 -4.682 3.281 -1.721 1.00 0.14 C ATOM 80 C6 DG A 3 -3.309 3.191 -1.387 1.00 0.13 C ATOM 81 O6 DG A 3 -2.366 2.904 -2.127 1.00 0.16 O ATOM 82 N1 DG A 3 -3.094 3.488 -0.042 1.00 0.12 N ATOM 83 C2 DG A 3 -4.072 3.826 0.855 1.00 0.12 C ATOM 84 N2 DG A 3 -3.674 4.028 2.108 1.00 0.15 N ATOM 85 N3 DG A 3 -5.359 3.915 0.542 1.00 0.13 N ATOM 86 C4 DG A 3 -5.590 3.630 -0.759 1.00 0.13 C ATOM 0 H5' DG A 3 -10.793 1.447 0.872 1.00 0.29 H new ATOM 0 H5'' DG A 3 -12.003 2.529 0.211 1.00 0.29 H new ATOM 0 H4' DG A 3 -10.096 3.648 1.276 1.00 0.23 H new ATOM 0 H3' DG A 3 -11.287 4.448 -1.196 1.00 0.26 H new ATOM 0 H2' DG A 3 -9.274 4.187 -2.509 1.00 0.24 H new ATOM 0 H2'' DG A 3 -8.918 5.747 -1.794 1.00 0.24 H new ATOM 0 H1' DG A 3 -7.721 4.814 0.019 1.00 0.18 H new ATOM 0 H8 DG A 3 -7.357 3.191 -3.414 1.00 0.17 H new ATOM 0 H1 DG A 3 -2.134 3.451 0.300 1.00 0.12 H new ATOM 0 H21 DG A 3 -4.354 4.282 2.824 1.00 0.15 H new ATOM 0 H22 DG A 3 -2.689 3.928 2.352 1.00 0.15 H new ATOM 98 P DT A 4 -11.776 5.966 1.082 1.00 0.34 P ATOM 99 OP1 DT A 4 -12.262 4.650 1.552 1.00 0.45 O ATOM 100 OP2 DT A 4 -12.694 6.871 0.353 1.00 0.47 O ATOM 101 O5' DT A 4 -11.179 6.762 2.348 1.00 0.27 O ATOM 102 C5' DT A 4 -10.291 6.125 3.276 1.00 0.29 C ATOM 103 C4' DT A 4 -9.004 6.929 3.461 1.00 0.24 C ATOM 104 O4' DT A 4 -8.241 6.376 4.543 1.00 0.25 O ATOM 105 C3' DT A 4 -8.097 6.937 2.223 1.00 0.22 C ATOM 106 O3' DT A 4 -7.895 8.282 1.770 1.00 0.25 O ATOM 107 C2' DT A 4 -6.769 6.362 2.708 1.00 0.20 C ATOM 108 C1' DT A 4 -7.149 5.634 4.001 1.00 0.21 C ATOM 109 N1 DT A 4 -7.567 4.220 3.800 1.00 0.21 N ATOM 110 C2 DT A 4 -8.686 3.743 4.485 1.00 0.29 C ATOM 111 O2 DT A 4 -9.233 4.364 5.392 1.00 0.35 O ATOM 112 N3 DT A 4 -9.124 2.486 4.124 1.00 0.32 N ATOM 113 C4 DT A 4 -8.568 1.676 3.158 1.00 0.28 C ATOM 114 O4 DT A 4 -9.043 0.570 2.919 1.00 0.33 O ATOM 115 C5 DT A 4 -7.413 2.249 2.506 1.00 0.19 C ATOM 116 C7 DT A 4 -6.818 1.561 1.294 1.00 0.17 C ATOM 117 C6 DT A 4 -6.942 3.457 2.852 1.00 0.17 C ATOM 0 H5' DT A 4 -10.048 5.124 2.920 1.00 0.29 H new ATOM 0 H5'' DT A 4 -10.790 6.009 4.238 1.00 0.29 H new ATOM 0 H4' DT A 4 -9.321 7.953 3.657 1.00 0.24 H new ATOM 0 H3' DT A 4 -8.526 6.369 1.397 1.00 0.22 H new ATOM 0 H2' DT A 4 -6.335 5.681 1.976 1.00 0.20 H new ATOM 0 H2'' DT A 4 -6.034 7.146 2.889 1.00 0.20 H new ATOM 0 H1' DT A 4 -6.278 5.585 4.655 1.00 0.21 H new ATOM 0 H3 DT A 4 -9.937 2.121 4.620 1.00 0.32 H new ATOM 0 H71 DT A 4 -6.986 0.486 1.366 1.00 0.17 H new ATOM 0 H72 DT A 4 -7.292 1.942 0.390 1.00 0.17 H new ATOM 0 H73 DT A 4 -5.747 1.759 1.253 1.00 0.17 H new ATOM 0 H6 DT A 4 -6.051 3.835 2.372 1.00 0.17 H new ATOM 130 P DT A 5 -8.716 8.868 0.511 1.00 0.24 P ATOM 131 OP1 DT A 5 -8.315 10.279 0.322 1.00 0.29 O ATOM 132 OP2 DT A 5 -10.141 8.533 0.689 1.00 0.34 O ATOM 133 O5' DT A 5 -8.164 8.010 -0.732 1.00 0.26 O ATOM 134 C5' DT A 5 -7.535 8.651 -1.848 1.00 0.26 C ATOM 135 C4' DT A 5 -6.024 8.698 -1.675 1.00 0.19 C ATOM 136 O4' DT A 5 -5.680 9.650 -0.678 1.00 0.19 O ATOM 137 C3' DT A 5 -5.435 7.367 -1.220 1.00 0.21 C ATOM 138 O3' DT A 5 -4.977 6.637 -2.377 1.00 0.27 O ATOM 139 C2' DT A 5 -4.279 7.755 -0.274 1.00 0.17 C ATOM 140 C1' DT A 5 -4.412 9.280 -0.135 1.00 0.17 C ATOM 141 N1 DT A 5 -4.376 9.743 1.266 1.00 0.19 N ATOM 142 C2 DT A 5 -3.405 10.656 1.635 1.00 0.23 C ATOM 143 O2 DT A 5 -2.608 11.136 0.833 1.00 0.27 O ATOM 144 N3 DT A 5 -3.380 11.000 2.974 1.00 0.29 N ATOM 145 C4 DT A 5 -4.226 10.518 3.959 1.00 0.30 C ATOM 146 O4 DT A 5 -4.107 10.893 5.123 1.00 0.38 O ATOM 147 C5 DT A 5 -5.208 9.569 3.474 1.00 0.25 C ATOM 148 C7 DT A 5 -6.163 8.881 4.454 1.00 0.29 C ATOM 149 C6 DT A 5 -5.252 9.230 2.172 1.00 0.22 C ATOM 0 H5' DT A 5 -7.923 9.664 -1.955 1.00 0.26 H new ATOM 0 H5'' DT A 5 -7.782 8.116 -2.765 1.00 0.26 H new ATOM 0 H4' DT A 5 -5.621 8.956 -2.654 1.00 0.19 H new ATOM 0 H3' DT A 5 -6.148 6.719 -0.709 1.00 0.21 H new ATOM 0 H2' DT A 5 -4.368 7.256 0.691 1.00 0.17 H new ATOM 0 H2'' DT A 5 -3.311 7.474 -0.690 1.00 0.17 H new ATOM 0 H1' DT A 5 -3.569 9.735 -0.654 1.00 0.17 H new ATOM 0 H3 DT A 5 -2.671 11.673 3.264 1.00 0.29 H new ATOM 0 H71 DT A 5 -7.103 8.658 3.950 1.00 0.29 H new ATOM 0 H72 DT A 5 -5.713 7.954 4.810 1.00 0.29 H new ATOM 0 H73 DT A 5 -6.353 9.541 5.300 1.00 0.29 H new ATOM 0 H6 DT A 5 -6.004 8.531 1.837 1.00 0.22 H new ATOM 162 P DT A 6 -3.492 6.789 -2.990 1.00 0.23 P ATOM 163 OP1 DT A 6 -3.016 8.174 -2.767 1.00 0.23 O ATOM 164 OP2 DT A 6 -3.504 6.228 -4.359 1.00 0.35 O ATOM 165 O5' DT A 6 -2.654 5.788 -2.051 1.00 0.23 O ATOM 166 C5' DT A 6 -1.230 5.704 -2.132 1.00 0.24 C ATOM 167 C4' DT A 6 -0.564 6.863 -1.394 1.00 0.21 C ATOM 168 O4' DT A 6 -1.146 6.995 -0.101 1.00 0.21 O ATOM 169 C3' DT A 6 0.941 6.670 -1.166 1.00 0.24 C ATOM 170 O3' DT A 6 1.714 7.484 -2.068 1.00 0.27 O ATOM 171 C2' DT A 6 1.168 7.126 0.280 1.00 0.25 C ATOM 172 C1' DT A 6 -0.193 7.662 0.708 1.00 0.22 C ATOM 173 N1 DT A 6 -0.541 7.418 2.126 1.00 0.20 N ATOM 174 C2 DT A 6 0.471 7.498 3.066 1.00 0.23 C ATOM 175 O2 DT A 6 1.633 7.746 2.766 1.00 0.29 O ATOM 176 N3 DT A 6 0.098 7.303 4.375 1.00 0.23 N ATOM 177 C4 DT A 6 -1.174 7.046 4.829 1.00 0.22 C ATOM 178 O4 DT A 6 -1.395 6.922 6.031 1.00 0.27 O ATOM 179 C5 DT A 6 -2.165 6.970 3.786 1.00 0.22 C ATOM 180 C7 DT A 6 -3.608 6.649 4.149 1.00 0.27 C ATOM 181 C6 DT A 6 -1.831 7.153 2.496 1.00 0.21 C ATOM 0 H5' DT A 6 -0.922 5.711 -3.178 1.00 0.24 H new ATOM 0 H5'' DT A 6 -0.894 4.758 -1.707 1.00 0.24 H new ATOM 0 H4' DT A 6 -0.714 7.738 -2.027 1.00 0.21 H new ATOM 0 H3' DT A 6 1.250 5.639 -1.341 1.00 0.24 H new ATOM 0 H2' DT A 6 1.491 6.300 0.914 1.00 0.25 H new ATOM 0 H2'' DT A 6 1.938 7.895 0.341 1.00 0.25 H new ATOM 0 H1' DT A 6 -0.177 8.746 0.592 1.00 0.22 H new ATOM 0 H3 DT A 6 0.836 7.354 5.077 1.00 0.23 H new ATOM 0 H71 DT A 6 -4.278 7.125 3.433 1.00 0.27 H new ATOM 0 H72 DT A 6 -3.758 5.570 4.124 1.00 0.27 H new ATOM 0 H73 DT A 6 -3.823 7.022 5.150 1.00 0.27 H new ATOM 0 H6 DT A 6 -2.597 7.089 1.737 1.00 0.21 H new ATOM 194 P DT A 7 3.296 7.702 -1.800 1.00 0.29 P ATOM 195 OP1 DT A 7 3.794 6.535 -1.042 1.00 0.33 O ATOM 196 OP2 DT A 7 3.479 9.060 -1.246 1.00 0.32 O ATOM 197 O5' DT A 7 3.944 7.665 -3.274 1.00 0.29 O ATOM 198 C5' DT A 7 4.154 6.418 -3.938 1.00 0.27 C ATOM 199 C4' DT A 7 3.990 6.547 -5.461 1.00 0.29 C ATOM 200 O4' DT A 7 2.624 6.841 -5.761 1.00 0.36 O ATOM 201 C3' DT A 7 4.852 7.621 -6.131 1.00 0.28 C ATOM 202 O3' DT A 7 5.406 7.080 -7.331 1.00 0.28 O ATOM 203 C2' DT A 7 3.893 8.753 -6.490 1.00 0.37 C ATOM 204 C1' DT A 7 2.514 8.096 -6.449 1.00 0.39 C ATOM 205 N1 DT A 7 1.482 8.883 -5.743 1.00 0.43 N ATOM 206 C2 DT A 7 0.345 9.232 -6.450 1.00 0.54 C ATOM 207 O2 DT A 7 0.205 8.976 -7.644 1.00 0.64 O ATOM 208 N3 DT A 7 -0.630 9.898 -5.737 1.00 0.58 N ATOM 209 C4 DT A 7 -0.576 10.243 -4.401 1.00 0.52 C ATOM 210 O4 DT A 7 -1.508 10.842 -3.872 1.00 0.59 O ATOM 211 C5 DT A 7 0.646 9.841 -3.741 1.00 0.41 C ATOM 212 C7 DT A 7 0.819 10.106 -2.246 1.00 0.36 C ATOM 213 C6 DT A 7 1.618 9.194 -4.415 1.00 0.37 C ATOM 0 H5' DT A 7 3.447 5.680 -3.558 1.00 0.27 H new ATOM 0 H5'' DT A 7 5.154 6.049 -3.710 1.00 0.27 H new ATOM 0 H4' DT A 7 4.323 5.589 -5.861 1.00 0.29 H new ATOM 0 H3' DT A 7 5.663 7.963 -5.487 1.00 0.28 H new ATOM 0 H2' DT A 7 3.964 9.577 -5.780 1.00 0.37 H new ATOM 0 H2'' DT A 7 4.111 9.163 -7.476 1.00 0.37 H new ATOM 0 H1' DT A 7 2.201 7.997 -7.488 1.00 0.39 H new ATOM 0 H3 DT A 7 -1.473 10.161 -6.246 1.00 0.58 H new ATOM 0 H71 DT A 7 0.260 10.999 -1.968 1.00 0.36 H new ATOM 0 H72 DT A 7 0.445 9.253 -1.680 1.00 0.36 H new ATOM 0 H73 DT A 7 1.875 10.255 -2.023 1.00 0.36 H new ATOM 0 H6 DT A 7 2.524 8.915 -3.897 1.00 0.37 H new ATOM 226 P DG A 8 6.992 7.086 -7.575 1.00 0.21 P ATOM 227 OP1 DG A 8 7.463 8.489 -7.556 1.00 0.28 O ATOM 228 OP2 DG A 8 7.276 6.228 -8.748 1.00 0.30 O ATOM 229 O5' DG A 8 7.545 6.346 -6.255 1.00 0.21 O ATOM 230 C5' DG A 8 7.750 4.930 -6.241 1.00 0.20 C ATOM 231 C4' DG A 8 8.322 4.465 -4.896 1.00 0.17 C ATOM 232 O4' DG A 8 7.429 4.837 -3.829 1.00 0.18 O ATOM 233 C3' DG A 8 8.557 2.942 -4.761 1.00 0.18 C ATOM 234 O3' DG A 8 9.844 2.691 -4.138 1.00 0.22 O ATOM 235 C2' DG A 8 7.434 2.492 -3.838 1.00 0.16 C ATOM 236 C1' DG A 8 7.303 3.712 -2.958 1.00 0.15 C ATOM 237 N9 DG A 8 6.056 3.822 -2.213 1.00 0.15 N ATOM 238 C8 DG A 8 5.903 4.053 -0.879 1.00 0.15 C ATOM 239 N7 DG A 8 4.667 4.046 -0.478 1.00 0.16 N ATOM 240 C5 DG A 8 3.956 3.797 -1.646 1.00 0.15 C ATOM 241 C6 DG A 8 2.570 3.678 -1.849 1.00 0.16 C ATOM 242 O6 DG A 8 1.670 3.757 -1.024 1.00 0.19 O ATOM 243 N1 DG A 8 2.275 3.433 -3.171 1.00 0.16 N ATOM 244 C2 DG A 8 3.192 3.314 -4.190 1.00 0.16 C ATOM 245 N2 DG A 8 2.702 3.115 -5.416 1.00 0.18 N ATOM 246 N3 DG A 8 4.500 3.420 -4.006 1.00 0.16 N ATOM 247 C4 DG A 8 4.805 3.662 -2.712 1.00 0.15 C ATOM 0 H5' DG A 8 8.431 4.651 -7.045 1.00 0.20 H new ATOM 0 H5'' DG A 8 6.805 4.421 -6.433 1.00 0.20 H new ATOM 0 H4' DG A 8 9.294 4.954 -4.840 1.00 0.17 H new ATOM 0 H3' DG A 8 8.560 2.421 -5.719 1.00 0.18 H new ATOM 0 H2' DG A 8 6.515 2.270 -4.380 1.00 0.16 H new ATOM 0 H2'' DG A 8 7.694 1.598 -3.272 1.00 0.16 H new ATOM 0 H1' DG A 8 8.072 3.650 -2.188 1.00 0.15 H new ATOM 0 H8 DG A 8 6.736 4.227 -0.213 1.00 0.15 H new ATOM 0 H1 DG A 8 1.290 3.331 -3.417 1.00 0.16 H new ATOM 0 H21 DG A 8 3.336 3.020 -6.209 1.00 0.18 H new ATOM 0 H22 DG A 8 1.694 3.058 -5.559 1.00 0.18 H new ATOM 259 P DG A 9 10.476 3.654 -2.992 1.00 0.22 P ATOM 260 OP1 DG A 9 10.255 5.067 -3.373 1.00 0.24 O ATOM 261 OP2 DG A 9 11.849 3.183 -2.709 1.00 0.29 O ATOM 262 O5' DG A 9 9.557 3.342 -1.706 1.00 0.22 O ATOM 263 C5' DG A 9 9.508 2.027 -1.153 1.00 0.20 C ATOM 264 C4' DG A 9 8.987 2.029 0.279 1.00 0.18 C ATOM 265 O4' DG A 9 7.571 2.228 0.320 1.00 0.16 O ATOM 266 C3' DG A 9 9.253 0.718 1.020 1.00 0.22 C ATOM 267 O3' DG A 9 10.247 0.945 2.024 1.00 0.26 O ATOM 268 C2' DG A 9 7.910 0.380 1.665 1.00 0.27 C ATOM 269 C1' DG A 9 7.183 1.700 1.573 1.00 0.18 C ATOM 270 N9 DG A 9 5.715 1.596 1.665 1.00 0.15 N ATOM 271 C8 DG A 9 4.956 1.711 2.792 1.00 0.15 C ATOM 272 N7 DG A 9 3.678 1.534 2.601 1.00 0.16 N ATOM 273 C5 DG A 9 3.583 1.286 1.231 1.00 0.14 C ATOM 274 C6 DG A 9 2.437 1.024 0.435 1.00 0.15 C ATOM 275 O6 DG A 9 1.264 0.966 0.800 1.00 0.16 O ATOM 276 N1 DG A 9 2.775 0.830 -0.903 1.00 0.14 N ATOM 277 C2 DG A 9 4.058 0.881 -1.407 1.00 0.14 C ATOM 278 N2 DG A 9 4.185 0.675 -2.716 1.00 0.17 N ATOM 279 N3 DG A 9 5.137 1.129 -0.660 1.00 0.14 N ATOM 280 C4 DG A 9 4.827 1.322 0.646 1.00 0.14 C ATOM 0 H5' DG A 9 10.505 1.587 -1.175 1.00 0.20 H new ATOM 0 H5'' DG A 9 8.868 1.397 -1.771 1.00 0.20 H new ATOM 0 H4' DG A 9 9.524 2.845 0.763 1.00 0.18 H new ATOM 0 H3' DG A 9 9.614 -0.083 0.375 1.00 0.22 H new ATOM 0 H2' DG A 9 7.387 -0.413 1.130 1.00 0.27 H new ATOM 0 H2'' DG A 9 8.024 0.047 2.697 1.00 0.27 H new ATOM 0 H1' DG A 9 7.449 2.334 2.419 1.00 0.18 H new ATOM 0 H8 DG A 9 5.378 1.930 3.762 1.00 0.15 H new ATOM 0 H1 DG A 9 2.018 0.636 -1.558 1.00 0.14 H new ATOM 0 H21 DG A 9 5.108 0.700 -3.149 1.00 0.17 H new ATOM 0 H22 DG A 9 3.359 0.492 -3.286 1.00 0.17 H new ATOM 292 P DG A 10 10.726 -0.242 2.993 1.00 0.31 P ATOM 293 OP1 DG A 10 12.186 -0.130 3.183 1.00 0.46 O ATOM 294 OP2 DG A 10 10.140 -1.510 2.504 1.00 0.43 O ATOM 295 O5' DG A 10 10.016 0.141 4.382 1.00 0.25 O ATOM 296 C5' DG A 10 9.740 -0.870 5.347 1.00 0.27 C ATOM 297 C4' DG A 10 8.322 -0.756 5.884 1.00 0.21 C ATOM 298 O4' DG A 10 7.401 -0.621 4.790 1.00 0.19 O ATOM 299 C3' DG A 10 7.890 -1.981 6.693 1.00 0.23 C ATOM 300 O3' DG A 10 7.422 -1.585 8.003 1.00 0.27 O ATOM 301 C2' DG A 10 6.772 -2.601 5.856 1.00 0.22 C ATOM 302 C1' DG A 10 6.259 -1.412 5.083 1.00 0.18 C ATOM 303 N9 DG A 10 5.581 -1.763 3.826 1.00 0.16 N ATOM 304 C8 DG A 10 6.116 -1.987 2.596 1.00 0.16 C ATOM 305 N7 DG A 10 5.228 -2.236 1.662 1.00 0.16 N ATOM 306 C5 DG A 10 4.014 -2.181 2.355 1.00 0.14 C ATOM 307 C6 DG A 10 2.675 -2.371 1.903 1.00 0.16 C ATOM 308 O6 DG A 10 2.271 -2.609 0.781 1.00 0.19 O ATOM 309 N1 DG A 10 1.769 -2.234 2.931 1.00 0.15 N ATOM 310 C2 DG A 10 2.094 -1.949 4.226 1.00 0.14 C ATOM 311 N2 DG A 10 1.090 -1.862 5.070 1.00 0.16 N ATOM 312 N3 DG A 10 3.331 -1.765 4.660 1.00 0.15 N ATOM 313 C4 DG A 10 4.236 -1.895 3.675 1.00 0.15 C ATOM 0 H5' DG A 10 10.449 -0.791 6.171 1.00 0.27 H new ATOM 0 H5'' DG A 10 9.882 -1.853 4.897 1.00 0.27 H new ATOM 0 H4' DG A 10 8.312 0.116 6.538 1.00 0.21 H new ATOM 0 H3' DG A 10 8.703 -2.684 6.873 1.00 0.23 H new ATOM 0 H2' DG A 10 7.144 -3.386 5.197 1.00 0.22 H new ATOM 0 H2'' DG A 10 5.997 -3.048 6.478 1.00 0.22 H new ATOM 0 H1' DG A 10 5.510 -0.897 5.684 1.00 0.18 H new ATOM 0 H8 DG A 10 7.179 -1.962 2.404 1.00 0.16 H new ATOM 0 H1 DG A 10 0.781 -2.355 2.708 1.00 0.15 H new ATOM 0 H21 DG A 10 1.266 -1.652 6.052 1.00 0.16 H new ATOM 0 H22 DG A 10 0.135 -2.005 4.742 1.00 0.16 H new ATOM 325 P DT A 11 6.263 -0.481 8.262 1.00 0.36 P ATOM 326 OP1 DT A 11 5.963 -0.483 9.711 1.00 0.35 O ATOM 327 OP2 DT A 11 5.165 -0.702 7.299 1.00 0.60 O ATOM 328 O5' DT A 11 6.984 0.919 7.912 1.00 0.54 O ATOM 329 C5' DT A 11 6.520 2.134 8.522 1.00 0.76 C ATOM 330 C4' DT A 11 7.224 3.364 7.958 1.00 0.50 C ATOM 331 O4' DT A 11 8.626 3.291 8.250 1.00 0.57 O ATOM 332 C3' DT A 11 7.074 3.519 6.444 1.00 0.37 C ATOM 333 O3' DT A 11 6.879 4.901 6.121 1.00 0.41 O ATOM 334 C2' DT A 11 8.408 3.042 5.893 1.00 0.40 C ATOM 335 C1' DT A 11 9.370 3.399 7.034 1.00 0.52 C ATOM 336 N1 DT A 11 10.525 2.488 7.144 1.00 0.76 N ATOM 337 C2 DT A 11 11.670 2.814 6.444 1.00 1.19 C ATOM 338 O2 DT A 11 11.750 3.825 5.752 1.00 1.38 O ATOM 339 N3 DT A 11 12.727 1.936 6.569 1.00 1.45 N ATOM 340 C4 DT A 11 12.739 0.777 7.322 1.00 1.32 C ATOM 341 O4 DT A 11 13.740 0.068 7.358 1.00 1.60 O ATOM 342 C5 DT A 11 11.501 0.516 8.020 1.00 0.92 C ATOM 343 C7 DT A 11 11.376 -0.733 8.892 1.00 0.92 C ATOM 344 C6 DT A 11 10.455 1.357 7.914 1.00 0.68 C ATOM 0 H5' DT A 11 6.684 2.084 9.598 1.00 0.76 H new ATOM 0 H5'' DT A 11 5.445 2.229 8.368 1.00 0.76 H new ATOM 0 H4' DT A 11 6.749 4.223 8.431 1.00 0.50 H new ATOM 0 H3' DT A 11 6.227 2.965 6.039 1.00 0.37 H new ATOM 0 H2' DT A 11 8.404 1.973 5.683 1.00 0.40 H new ATOM 0 H2'' DT A 11 8.671 3.549 4.964 1.00 0.40 H new ATOM 0 H1' DT A 11 9.763 4.397 6.838 1.00 0.52 H new ATOM 0 H3 DT A 11 13.580 2.164 6.058 1.00 1.45 H new ATOM 0 H71 DT A 11 12.009 -1.523 8.489 1.00 0.92 H new ATOM 0 H72 DT A 11 11.691 -0.500 9.909 1.00 0.92 H new ATOM 0 H73 DT A 11 10.339 -1.068 8.901 1.00 0.92 H new ATOM 0 H6 DT A 11 9.542 1.136 8.447 1.00 0.68 H new ATOM 357 P DG A 12 5.567 5.384 5.320 1.00 0.24 P ATOM 358 OP1 DG A 12 4.852 4.184 4.829 1.00 0.41 O ATOM 359 OP2 DG A 12 5.981 6.427 4.361 1.00 0.47 O ATOM 360 O5' DG A 12 4.688 6.088 6.477 1.00 0.26 O ATOM 361 C5' DG A 12 3.346 6.549 6.233 1.00 0.22 C ATOM 362 C4' DG A 12 2.415 6.121 7.349 1.00 0.18 C ATOM 363 O4' DG A 12 1.122 5.955 6.821 1.00 0.16 O ATOM 364 C3' DG A 12 2.804 4.797 7.980 1.00 0.16 C ATOM 365 O3' DG A 12 2.252 4.727 9.302 1.00 0.19 O ATOM 366 C2' DG A 12 2.126 3.816 7.048 1.00 0.15 C ATOM 367 C1' DG A 12 0.842 4.572 6.760 1.00 0.15 C ATOM 368 N9 DG A 12 0.252 4.371 5.460 1.00 0.14 N ATOM 369 C8 DG A 12 -1.050 4.315 5.207 1.00 0.13 C ATOM 370 N7 DG A 12 -1.354 4.173 3.943 1.00 0.15 N ATOM 371 C5 DG A 12 -0.106 4.152 3.322 1.00 0.14 C ATOM 372 C6 DG A 12 0.239 4.033 1.953 1.00 0.15 C ATOM 373 O6 DG A 12 -0.498 3.888 0.990 1.00 0.17 O ATOM 374 N1 DG A 12 1.606 4.074 1.773 1.00 0.14 N ATOM 375 C2 DG A 12 2.530 4.208 2.778 1.00 0.15 C ATOM 376 N2 DG A 12 3.795 4.253 2.409 1.00 0.16 N ATOM 377 N3 DG A 12 2.215 4.312 4.061 1.00 0.15 N ATOM 378 C4 DG A 12 0.886 4.277 4.257 1.00 0.13 C ATOM 0 H5' DG A 12 2.988 6.152 5.283 1.00 0.22 H new ATOM 0 H5'' DG A 12 3.341 7.636 6.146 1.00 0.22 H new ATOM 0 H4' DG A 12 2.468 6.897 8.112 1.00 0.18 H new ATOM 0 H3' DG A 12 3.875 4.624 8.088 1.00 0.16 H new ATOM 0 H2' DG A 12 2.709 3.626 6.147 1.00 0.15 H new ATOM 0 H2'' DG A 12 1.944 2.850 7.520 1.00 0.15 H new ATOM 0 H1' DG A 12 0.138 4.193 7.501 1.00 0.15 H new ATOM 0 H8 DG A 12 -1.798 4.381 5.983 1.00 0.13 H new ATOM 0 H1 DG A 12 1.957 3.999 0.818 1.00 0.14 H new ATOM 0 H21 DG A 12 4.528 4.352 3.111 1.00 0.16 H new ATOM 0 H22 DG A 12 4.041 4.189 1.421 1.00 0.16 H new ATOM 390 P DG A 13 2.149 3.331 10.094 1.00 0.20 P ATOM 391 OP1 DG A 13 1.960 3.625 11.531 1.00 0.30 O ATOM 392 OP2 DG A 13 3.266 2.460 9.661 1.00 0.28 O ATOM 393 O5' DG A 13 0.775 2.713 9.520 1.00 0.24 O ATOM 394 C5' DG A 13 -0.494 3.232 9.938 1.00 0.24 C ATOM 395 C4' DG A 13 -1.632 2.272 9.600 1.00 0.18 C ATOM 396 O4' DG A 13 -2.075 2.464 8.257 1.00 0.21 O ATOM 397 C3' DG A 13 -1.246 0.796 9.712 1.00 0.19 C ATOM 398 O3' DG A 13 -1.761 0.246 10.929 1.00 0.23 O ATOM 399 C2' DG A 13 -1.927 0.131 8.515 1.00 0.18 C ATOM 400 C1' DG A 13 -2.731 1.260 7.885 1.00 0.16 C ATOM 401 N9 DG A 13 -2.812 1.188 6.412 1.00 0.15 N ATOM 402 C8 DG A 13 -3.926 1.023 5.627 1.00 0.15 C ATOM 403 N7 DG A 13 -3.677 0.952 4.360 1.00 0.14 N ATOM 404 C5 DG A 13 -2.302 1.085 4.287 1.00 0.13 C ATOM 405 C6 DG A 13 -1.472 1.091 3.156 1.00 0.12 C ATOM 406 O6 DG A 13 -1.783 1.019 1.995 1.00 0.15 O ATOM 407 N1 DG A 13 -0.163 1.245 3.479 1.00 0.11 N ATOM 408 C2 DG A 13 0.334 1.385 4.757 1.00 0.12 C ATOM 409 N2 DG A 13 1.652 1.548 4.873 1.00 0.13 N ATOM 410 N3 DG A 13 -0.444 1.384 5.847 1.00 0.14 N ATOM 411 C4 DG A 13 -1.755 1.229 5.532 1.00 0.13 C ATOM 0 H5' DG A 13 -0.672 4.193 9.455 1.00 0.24 H new ATOM 0 H5'' DG A 13 -0.477 3.414 11.013 1.00 0.24 H new ATOM 0 H4' DG A 13 -2.408 2.500 10.330 1.00 0.18 H new ATOM 0 H3' DG A 13 -0.166 0.647 9.718 1.00 0.19 H new ATOM 0 H2' DG A 13 -1.198 -0.280 7.817 1.00 0.18 H new ATOM 0 H2'' DG A 13 -2.569 -0.693 8.826 1.00 0.18 H new ATOM 0 H1' DG A 13 -3.760 1.197 8.239 1.00 0.16 H new ATOM 0 H8 DG A 13 -4.925 0.958 6.033 1.00 0.15 H new ATOM 0 H1 DG A 13 0.509 1.258 2.712 1.00 0.11 H new ATOM 0 H21 DG A 13 2.073 1.656 5.796 1.00 0.13 H new ATOM 0 H22 DG A 13 2.239 1.564 4.039 1.00 0.13 H new ATOM 423 P DG A 14 -1.311 -1.226 11.408 1.00 0.31 P ATOM 424 OP1 DG A 14 -1.526 -1.319 12.869 1.00 0.43 O ATOM 425 OP2 DG A 14 0.025 -1.517 10.841 1.00 0.39 O ATOM 426 O5' DG A 14 -2.387 -2.171 10.681 1.00 0.28 O ATOM 427 C5' DG A 14 -3.768 -2.141 11.065 1.00 0.25 C ATOM 428 C4' DG A 14 -4.633 -2.843 10.028 1.00 0.20 C ATOM 429 O4' DG A 14 -4.529 -2.141 8.791 1.00 0.20 O ATOM 430 C3' DG A 14 -4.212 -4.283 9.774 1.00 0.19 C ATOM 431 O3' DG A 14 -5.080 -5.172 10.480 1.00 0.21 O ATOM 432 C2' DG A 14 -4.383 -4.488 8.272 1.00 0.18 C ATOM 433 C1' DG A 14 -4.566 -3.069 7.707 1.00 0.17 C ATOM 434 N9 DG A 14 -3.493 -2.707 6.777 1.00 0.14 N ATOM 435 C8 DG A 14 -2.192 -2.416 7.060 1.00 0.14 C ATOM 436 N7 DG A 14 -1.464 -2.190 6.022 1.00 0.15 N ATOM 437 C5 DG A 14 -2.336 -2.346 4.961 1.00 0.13 C ATOM 438 C6 DG A 14 -2.097 -2.232 3.575 1.00 0.14 C ATOM 439 O6 DG A 14 -1.053 -1.947 3.005 1.00 0.17 O ATOM 440 N1 DG A 14 -3.236 -2.484 2.844 1.00 0.13 N ATOM 441 C2 DG A 14 -4.464 -2.798 3.379 1.00 0.13 C ATOM 442 N2 DG A 14 -5.441 -3.028 2.504 1.00 0.15 N ATOM 443 N3 DG A 14 -4.699 -2.898 4.688 1.00 0.14 N ATOM 444 C4 DG A 14 -3.586 -2.663 5.414 1.00 0.13 C ATOM 0 H5' DG A 14 -4.096 -1.108 11.179 1.00 0.25 H new ATOM 0 H5'' DG A 14 -3.891 -2.624 12.035 1.00 0.25 H new ATOM 0 H4' DG A 14 -5.650 -2.851 10.419 1.00 0.20 H new ATOM 0 H3' DG A 14 -3.192 -4.477 10.105 1.00 0.19 H new ATOM 0 H2' DG A 14 -3.513 -4.979 7.837 1.00 0.18 H new ATOM 0 H2'' DG A 14 -5.246 -5.117 8.053 1.00 0.18 H new ATOM 0 H1' DG A 14 -5.516 -3.042 7.174 1.00 0.17 H new ATOM 0 H8 DG A 14 -1.805 -2.378 8.068 1.00 0.14 H new ATOM 0 H1 DG A 14 -3.164 -2.434 1.828 1.00 0.13 H new ATOM 0 H21 DG A 14 -6.376 -3.266 2.835 1.00 0.15 H new ATOM 0 H22 DG A 14 -5.254 -2.966 1.503 1.00 0.15 H new ATOM 456 P DT A 15 -4.760 -6.749 10.512 1.00 0.27 P ATOM 457 OP1 DT A 15 -5.695 -7.397 11.454 1.00 0.37 O ATOM 458 OP2 DT A 15 -3.299 -6.923 10.685 1.00 0.31 O ATOM 459 O5' DT A 15 -5.156 -7.209 9.018 1.00 0.29 O ATOM 460 C5' DT A 15 -4.280 -8.031 8.240 1.00 0.29 C ATOM 461 C4' DT A 15 -4.611 -7.941 6.751 1.00 0.28 C ATOM 462 O4' DT A 15 -4.135 -6.714 6.210 1.00 0.26 O ATOM 463 C3' DT A 15 -3.941 -9.008 5.904 1.00 0.27 C ATOM 464 O3' DT A 15 -4.756 -10.183 5.828 1.00 0.32 O ATOM 465 C2' DT A 15 -3.863 -8.363 4.519 1.00 0.27 C ATOM 466 C1' DT A 15 -4.099 -6.890 4.793 1.00 0.25 C ATOM 467 N1 DT A 15 -3.051 -6.048 4.206 1.00 0.23 N ATOM 468 C2 DT A 15 -3.307 -5.507 2.965 1.00 0.25 C ATOM 469 O2 DT A 15 -4.409 -5.583 2.434 1.00 0.30 O ATOM 470 N3 DT A 15 -2.260 -4.851 2.362 1.00 0.26 N ATOM 471 C4 DT A 15 -1.003 -4.676 2.884 1.00 0.23 C ATOM 472 O4 DT A 15 -0.127 -4.108 2.234 1.00 0.26 O ATOM 473 C5 DT A 15 -0.831 -5.244 4.192 1.00 0.20 C ATOM 474 C7 DT A 15 0.479 -5.005 4.914 1.00 0.20 C ATOM 475 C6 DT A 15 -1.835 -5.911 4.805 1.00 0.20 C ATOM 0 H5' DT A 15 -4.360 -9.067 8.571 1.00 0.29 H new ATOM 0 H5'' DT A 15 -3.247 -7.723 8.404 1.00 0.29 H new ATOM 0 H4' DT A 15 -5.695 -8.051 6.711 1.00 0.28 H new ATOM 0 H3' DT A 15 -2.976 -9.314 6.307 1.00 0.27 H new ATOM 0 H2' DT A 15 -2.893 -8.533 4.053 1.00 0.27 H new ATOM 0 H2'' DT A 15 -4.616 -8.770 3.845 1.00 0.27 H new ATOM 0 H1' DT A 15 -5.040 -6.585 4.335 1.00 0.25 H new ATOM 0 H3 DT A 15 -2.434 -4.456 1.438 1.00 0.26 H new ATOM 0 H71 DT A 15 1.282 -4.898 4.185 1.00 0.20 H new ATOM 0 H72 DT A 15 0.406 -4.095 5.509 1.00 0.20 H new ATOM 0 H73 DT A 15 0.693 -5.850 5.569 1.00 0.20 H new ATOM 0 H6 DT A 15 -1.671 -6.341 5.782 1.00 0.20 H new ATOM 488 P DT A 16 -4.198 -11.553 5.163 1.00 0.35 P ATOM 489 OP1 DT A 16 -5.327 -12.221 4.480 1.00 0.44 O ATOM 490 OP2 DT A 16 -3.428 -12.286 6.193 1.00 0.44 O ATOM 491 O5' DT A 16 -3.153 -11.051 4.028 1.00 0.30 O ATOM 492 C5' DT A 16 -3.549 -10.879 2.651 1.00 0.28 C ATOM 493 C4' DT A 16 -2.344 -10.566 1.751 1.00 0.28 C ATOM 494 O4' DT A 16 -1.457 -9.672 2.431 1.00 0.31 O ATOM 495 C3' DT A 16 -1.529 -11.789 1.325 1.00 0.36 C ATOM 496 O3' DT A 16 -1.156 -11.631 -0.050 1.00 0.36 O ATOM 497 C2' DT A 16 -0.263 -11.724 2.196 1.00 0.45 C ATOM 498 C1' DT A 16 -0.137 -10.226 2.469 1.00 0.41 C ATOM 499 N1 DT A 16 0.433 -9.880 3.788 1.00 0.47 N ATOM 500 C2 DT A 16 1.547 -9.057 3.813 1.00 0.63 C ATOM 501 O2 DT A 16 2.084 -8.642 2.789 1.00 0.75 O ATOM 502 N3 DT A 16 2.018 -8.713 5.066 1.00 0.70 N ATOM 503 C4 DT A 16 1.478 -9.106 6.275 1.00 0.63 C ATOM 504 O4 DT A 16 1.969 -8.723 7.334 1.00 0.72 O ATOM 505 C5 DT A 16 0.321 -9.962 6.152 1.00 0.50 C ATOM 506 C7 DT A 16 -0.391 -10.447 7.412 1.00 0.51 C ATOM 507 C6 DT A 16 -0.154 -10.319 4.945 1.00 0.42 C ATOM 0 H5' DT A 16 -4.277 -10.071 2.579 1.00 0.28 H new ATOM 0 H5'' DT A 16 -4.042 -11.785 2.298 1.00 0.28 H new ATOM 0 H4' DT A 16 -2.769 -10.129 0.847 1.00 0.28 H new ATOM 0 H3' DT A 16 -2.072 -12.727 1.438 1.00 0.36 H new ATOM 0 H2' DT A 16 -0.372 -12.298 3.116 1.00 0.45 H new ATOM 0 H2'' DT A 16 0.610 -12.118 1.676 1.00 0.45 H new ATOM 0 H1' DT A 16 0.543 -9.831 1.714 1.00 0.41 H new ATOM 0 H3 DT A 16 2.842 -8.113 5.101 1.00 0.70 H new ATOM 0 H71 DT A 16 0.328 -10.530 8.227 1.00 0.51 H new ATOM 0 H72 DT A 16 -1.170 -9.736 7.686 1.00 0.51 H new ATOM 0 H73 DT A 16 -0.840 -11.422 7.224 1.00 0.51 H new ATOM 0 H6 DT A 16 -1.017 -10.966 4.887 1.00 0.42 H new ATOM 520 P DT A 17 -1.183 -12.879 -1.067 1.00 0.35 P ATOM 521 OP1 DT A 17 -2.576 -13.370 -1.163 1.00 0.53 O ATOM 522 OP2 DT A 17 -0.095 -13.812 -0.695 1.00 0.52 O ATOM 523 O5' DT A 17 -0.793 -12.185 -2.468 1.00 0.33 O ATOM 524 C5' DT A 17 -1.541 -11.067 -2.961 1.00 0.30 C ATOM 525 C4' DT A 17 -0.820 -10.361 -4.112 1.00 0.29 C ATOM 526 O4' DT A 17 -1.642 -9.287 -4.612 1.00 0.30 O ATOM 527 C3' DT A 17 0.528 -9.742 -3.712 1.00 0.27 C ATOM 528 O3' DT A 17 1.613 -10.479 -4.294 1.00 0.29 O ATOM 529 C2' DT A 17 0.470 -8.343 -4.309 1.00 0.25 C ATOM 530 C1' DT A 17 -1.017 -8.049 -4.263 1.00 0.26 C ATOM 531 N1 DT A 17 -1.538 -7.645 -2.939 1.00 0.23 N ATOM 532 C2 DT A 17 -0.831 -6.697 -2.216 1.00 0.25 C ATOM 533 O2 DT A 17 0.159 -6.124 -2.652 1.00 0.29 O ATOM 534 N3 DT A 17 -1.347 -6.375 -0.986 1.00 0.31 N ATOM 535 C4 DT A 17 -2.488 -6.894 -0.422 1.00 0.31 C ATOM 536 O4 DT A 17 -2.848 -6.538 0.682 1.00 0.42 O ATOM 537 C5 DT A 17 -3.168 -7.862 -1.239 1.00 0.25 C ATOM 538 C7 DT A 17 -4.467 -8.476 -0.728 1.00 0.28 C ATOM 539 C6 DT A 17 -2.684 -8.206 -2.446 1.00 0.25 C ATOM 0 H5' DT A 17 -1.712 -10.358 -2.150 1.00 0.30 H new ATOM 0 H5'' DT A 17 -2.520 -11.406 -3.299 1.00 0.30 H new ATOM 0 H4' DT A 17 -0.636 -11.132 -4.860 1.00 0.29 H new ATOM 0 H3' DT A 17 0.690 -9.745 -2.634 1.00 0.27 H new ATOM 0 H2' DT A 17 1.047 -7.625 -3.726 1.00 0.25 H new ATOM 0 H2'' DT A 17 0.861 -8.316 -5.326 1.00 0.25 H new ATOM 0 H1' DT A 17 -1.221 -7.209 -4.926 1.00 0.26 H new ATOM 0 H3 DT A 17 -0.835 -5.684 -0.438 1.00 0.31 H new ATOM 0 H71 DT A 17 -4.448 -8.513 0.361 1.00 0.28 H new ATOM 0 H72 DT A 17 -5.310 -7.868 -1.056 1.00 0.28 H new ATOM 0 H73 DT A 17 -4.572 -9.486 -1.124 1.00 0.28 H new ATOM 0 H6 DT A 17 -3.211 -8.940 -3.038 1.00 0.25 H new ATOM 552 P DT A 18 3.113 -9.894 -4.227 1.00 0.29 P ATOM 553 OP1 DT A 18 4.002 -10.825 -4.957 1.00 0.37 O ATOM 554 OP2 DT A 18 3.410 -9.528 -2.823 1.00 0.32 O ATOM 555 O5' DT A 18 2.953 -8.536 -5.095 1.00 0.25 O ATOM 556 C5' DT A 18 3.790 -7.386 -4.903 1.00 0.23 C ATOM 557 C4' DT A 18 5.184 -7.617 -5.511 1.00 0.27 C ATOM 558 O4' DT A 18 5.160 -8.811 -6.312 1.00 0.31 O ATOM 559 C3' DT A 18 5.640 -6.506 -6.444 1.00 0.30 C ATOM 560 O3' DT A 18 7.073 -6.504 -6.558 1.00 0.37 O ATOM 561 C2' DT A 18 5.024 -6.917 -7.772 1.00 0.34 C ATOM 562 C1' DT A 18 5.094 -8.445 -7.705 1.00 0.34 C ATOM 563 N1 DT A 18 3.927 -9.137 -8.323 1.00 0.38 N ATOM 564 C2 DT A 18 4.006 -9.434 -9.674 1.00 0.53 C ATOM 565 O2 DT A 18 4.994 -9.161 -10.353 1.00 0.62 O ATOM 566 N3 DT A 18 2.904 -10.060 -10.226 1.00 0.59 N ATOM 567 C4 DT A 18 1.745 -10.411 -9.561 1.00 0.51 C ATOM 568 O4 DT A 18 0.826 -10.962 -10.160 1.00 0.60 O ATOM 569 C5 DT A 18 1.747 -10.066 -8.157 1.00 0.36 C ATOM 570 C7 DT A 18 0.522 -10.378 -7.298 1.00 0.34 C ATOM 571 C6 DT A 18 2.808 -9.459 -7.593 1.00 0.32 C ATOM 0 H5' DT A 18 3.884 -7.173 -3.838 1.00 0.23 H new ATOM 0 H5'' DT A 18 3.328 -6.513 -5.364 1.00 0.23 H new ATOM 0 H4' DT A 18 5.866 -7.672 -4.662 1.00 0.27 H new ATOM 0 H3' DT A 18 5.349 -5.511 -6.106 1.00 0.30 H new ATOM 0 H2' DT A 18 3.999 -6.561 -7.872 1.00 0.34 H new ATOM 0 H2'' DT A 18 5.583 -6.521 -8.620 1.00 0.34 H new ATOM 0 H1' DT A 18 5.970 -8.758 -8.273 1.00 0.34 H new ATOM 0 H3 DT A 18 2.951 -10.284 -11.220 1.00 0.59 H new ATOM 0 H71 DT A 18 0.836 -10.565 -6.271 1.00 0.34 H new ATOM 0 H72 DT A 18 -0.163 -9.530 -7.320 1.00 0.34 H new ATOM 0 H73 DT A 18 0.018 -11.262 -7.690 1.00 0.34 H new ATOM 0 H6 DT A 18 2.779 -9.219 -6.540 1.00 0.32 H new ATOM 584 P DG A 19 8.024 -6.416 -5.257 1.00 0.36 P ATOM 585 OP1 DG A 19 9.371 -5.993 -5.703 1.00 0.43 O ATOM 586 OP2 DG A 19 7.870 -7.668 -4.482 1.00 0.47 O ATOM 587 O5' DG A 19 7.374 -5.214 -4.398 1.00 0.29 O ATOM 588 C5' DG A 19 7.684 -3.836 -4.665 1.00 0.24 C ATOM 589 C4' DG A 19 7.292 -3.426 -6.083 1.00 0.16 C ATOM 590 O4' DG A 19 5.996 -3.934 -6.380 1.00 0.17 O ATOM 591 C3' DG A 19 7.261 -1.919 -6.310 1.00 0.16 C ATOM 592 O3' DG A 19 7.765 -1.595 -7.618 1.00 0.19 O ATOM 593 C2' DG A 19 5.801 -1.547 -6.231 1.00 0.14 C ATOM 594 C1' DG A 19 5.061 -2.863 -6.475 1.00 0.14 C ATOM 595 N9 DG A 19 3.981 -3.124 -5.511 1.00 0.14 N ATOM 596 C8 DG A 19 2.675 -3.455 -5.760 1.00 0.15 C ATOM 597 N7 DG A 19 1.933 -3.525 -4.694 1.00 0.16 N ATOM 598 C5 DG A 19 2.812 -3.230 -3.662 1.00 0.15 C ATOM 599 C6 DG A 19 2.578 -3.158 -2.272 1.00 0.16 C ATOM 600 O6 DG A 19 1.516 -3.313 -1.667 1.00 0.19 O ATOM 601 N1 DG A 19 3.735 -2.840 -1.585 1.00 0.16 N ATOM 602 C2 DG A 19 4.964 -2.609 -2.145 1.00 0.16 C ATOM 603 N2 DG A 19 5.947 -2.304 -1.296 1.00 0.19 N ATOM 604 N3 DG A 19 5.193 -2.673 -3.456 1.00 0.14 N ATOM 605 C4 DG A 19 4.072 -2.988 -4.150 1.00 0.13 C ATOM 0 H5' DG A 19 8.752 -3.670 -4.522 1.00 0.24 H new ATOM 0 H5'' DG A 19 7.164 -3.202 -3.947 1.00 0.24 H new ATOM 0 H4' DG A 19 8.061 -3.841 -6.734 1.00 0.16 H new ATOM 0 H3' DG A 19 7.875 -1.388 -5.582 1.00 0.16 H new ATOM 0 H2' DG A 19 5.550 -1.124 -5.258 1.00 0.14 H new ATOM 0 H2'' DG A 19 5.540 -0.799 -6.980 1.00 0.14 H new ATOM 0 H1' DG A 19 4.606 -2.786 -7.463 1.00 0.14 H new ATOM 0 H8 DG A 19 2.295 -3.641 -6.754 1.00 0.15 H new ATOM 0 H1 DG A 19 3.668 -2.771 -0.570 1.00 0.16 H new ATOM 0 H21 DG A 19 6.886 -2.120 -1.648 1.00 0.19 H new ATOM 0 H22 DG A 19 5.759 -2.254 -0.295 1.00 0.19 H new ATOM 617 P DG A 20 7.152 -2.250 -8.965 1.00 0.22 P ATOM 618 OP1 DG A 20 7.258 -3.721 -8.859 1.00 0.29 O ATOM 619 OP2 DG A 20 7.762 -1.564 -10.126 1.00 0.35 O ATOM 620 O5' DG A 20 5.588 -1.851 -8.919 1.00 0.21 O ATOM 621 C5' DG A 20 4.661 -2.463 -9.820 1.00 0.24 C ATOM 622 C4' DG A 20 3.282 -1.817 -9.763 1.00 0.20 C ATOM 623 O4' DG A 20 2.782 -1.821 -8.431 1.00 0.19 O ATOM 624 C3' DG A 20 3.270 -0.364 -10.214 1.00 0.20 C ATOM 625 O3' DG A 20 2.877 -0.290 -11.587 1.00 0.23 O ATOM 626 C2' DG A 20 2.200 0.297 -9.338 1.00 0.19 C ATOM 627 C1' DG A 20 1.776 -0.812 -8.357 1.00 0.17 C ATOM 628 N9 DG A 20 1.686 -0.390 -6.947 1.00 0.15 N ATOM 629 C8 DG A 20 2.681 0.003 -6.111 1.00 0.15 C ATOM 630 N7 DG A 20 2.327 0.165 -4.883 1.00 0.14 N ATOM 631 C5 DG A 20 0.986 -0.122 -4.896 1.00 0.13 C ATOM 632 C6 DG A 20 0.073 -0.103 -3.836 1.00 0.13 C ATOM 633 O6 DG A 20 0.305 0.167 -2.648 1.00 0.15 O ATOM 634 N1 DG A 20 -1.203 -0.448 -4.276 1.00 0.14 N ATOM 635 C2 DG A 20 -1.532 -0.766 -5.584 1.00 0.14 C ATOM 636 N2 DG A 20 -2.809 -1.010 -5.846 1.00 0.15 N ATOM 637 N3 DG A 20 -0.655 -0.791 -6.576 1.00 0.15 N ATOM 638 C4 DG A 20 0.577 -0.459 -6.161 1.00 0.14 C ATOM 0 H5' DG A 20 4.573 -3.523 -9.581 1.00 0.24 H new ATOM 0 H5'' DG A 20 5.049 -2.396 -10.837 1.00 0.24 H new ATOM 0 H4' DG A 20 2.668 -2.411 -10.440 1.00 0.20 H new ATOM 0 H3' DG A 20 4.246 0.113 -10.121 1.00 0.20 H new ATOM 0 H2' DG A 20 2.597 1.164 -8.811 1.00 0.19 H new ATOM 0 H2'' DG A 20 1.357 0.645 -9.934 1.00 0.19 H new ATOM 0 H1' DG A 20 0.777 -1.137 -8.648 1.00 0.17 H new ATOM 0 H8 DG A 20 3.693 0.167 -6.450 1.00 0.15 H new ATOM 0 H1 DG A 20 -1.951 -0.468 -3.583 1.00 0.14 H new ATOM 0 H21 DG A 20 -3.099 -1.248 -6.795 1.00 0.15 H new ATOM 0 H22 DG A 20 -3.502 -0.959 -5.099 1.00 0.15 H new ATOM 650 P DG A 21 2.947 1.115 -12.368 1.00 0.28 P ATOM 651 OP1 DG A 21 2.981 0.835 -13.821 1.00 0.35 O ATOM 652 OP2 DG A 21 4.013 1.937 -11.753 1.00 0.32 O ATOM 653 O5' DG A 21 1.531 1.787 -12.015 1.00 0.26 O ATOM 654 C5' DG A 21 0.366 1.494 -12.796 1.00 0.31 C ATOM 655 C4' DG A 21 -0.855 2.231 -12.260 1.00 0.26 C ATOM 656 O4' DG A 21 -1.158 1.759 -10.951 1.00 0.24 O ATOM 657 C3' DG A 21 -0.663 3.733 -12.143 1.00 0.26 C ATOM 658 O3' DG A 21 -0.993 4.401 -13.365 1.00 0.37 O ATOM 659 C2' DG A 21 -1.626 4.110 -11.027 1.00 0.24 C ATOM 660 C1' DG A 21 -1.715 2.833 -10.189 1.00 0.20 C ATOM 661 N9 DG A 21 -0.987 2.891 -8.909 1.00 0.16 N ATOM 662 C8 DG A 21 0.364 2.940 -8.678 1.00 0.16 C ATOM 663 N7 DG A 21 0.686 2.906 -7.415 1.00 0.16 N ATOM 664 C5 DG A 21 -0.539 2.838 -6.769 1.00 0.13 C ATOM 665 C6 DG A 21 -0.832 2.775 -5.392 1.00 0.12 C ATOM 666 O6 DG A 21 -0.071 2.755 -4.459 1.00 0.16 O ATOM 667 N1 DG A 21 -2.177 2.719 -5.155 1.00 0.11 N ATOM 668 C2 DG A 21 -3.149 2.731 -6.127 1.00 0.13 C ATOM 669 N2 DG A 21 -4.407 2.732 -5.715 1.00 0.15 N ATOM 670 N3 DG A 21 -2.886 2.782 -7.430 1.00 0.15 N ATOM 671 C4 DG A 21 -1.562 2.832 -7.674 1.00 0.14 C ATOM 0 H5' DG A 21 0.179 0.420 -12.787 1.00 0.31 H new ATOM 0 H5'' DG A 21 0.539 1.778 -13.834 1.00 0.31 H new ATOM 0 H4' DG A 21 -1.652 2.037 -12.978 1.00 0.26 H new ATOM 0 H3' DG A 21 0.369 4.019 -11.937 1.00 0.26 H new ATOM 0 H2' DG A 21 -1.253 4.950 -10.441 1.00 0.24 H new ATOM 0 H2'' DG A 21 -2.600 4.402 -11.419 1.00 0.24 H new ATOM 0 HO3' DG A 21 -0.861 5.366 -13.256 1.00 0.37 H new ATOM 0 H1' DG A 21 -2.770 2.695 -9.951 1.00 0.20 H new ATOM 0 H8 DG A 21 1.095 3.001 -9.471 1.00 0.16 H new ATOM 0 H1 DG A 21 -2.483 2.664 -4.183 1.00 0.11 H new ATOM 0 H21 DG A 21 -5.167 2.741 -6.396 1.00 0.15 H new ATOM 0 H22 DG A 21 -4.617 2.724 -4.717 1.00 0.15 H new TER 684 DG A 21