USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 160 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 1 DG O5' : rot -32:sc= 1.03 USER MOD Set 1.2: B 1 DG O5' : rot -124:sc= 1.17 USER MOD Single : A 7 DT C7 :methyl 150:sc= -1.83 (180deg=-1.83) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= -1.98 (180deg=-1.98) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.507 -0.080 1.306 1.00 1.34 O ATOM 2 C5' DG A 1 -8.337 1.314 1.553 1.00 1.10 C ATOM 3 C4' DG A 1 -6.859 1.553 1.990 1.00 0.61 C ATOM 4 O4' DG A 1 -6.056 1.112 0.878 1.00 0.40 O ATOM 5 C3' DG A 1 -6.321 2.943 2.390 1.00 0.38 C ATOM 6 O3' DG A 1 -6.012 3.128 3.786 1.00 0.60 O ATOM 7 C2' DG A 1 -5.126 3.190 1.431 1.00 0.30 C ATOM 8 C1' DG A 1 -4.808 1.812 0.828 1.00 0.30 C ATOM 9 N9 DG A 1 -4.567 1.779 -0.642 1.00 0.28 N ATOM 10 C8 DG A 1 -3.652 1.037 -1.352 1.00 0.30 C ATOM 11 N7 DG A 1 -3.712 1.219 -2.642 1.00 0.36 N ATOM 12 C5 DG A 1 -4.732 2.139 -2.813 1.00 0.35 C ATOM 13 C6 DG A 1 -5.244 2.711 -4.004 1.00 0.44 C ATOM 14 O6 DG A 1 -4.882 2.504 -5.155 1.00 0.52 O ATOM 15 N1 DG A 1 -6.276 3.599 -3.752 1.00 0.51 N ATOM 16 C2 DG A 1 -6.759 3.905 -2.504 1.00 0.53 C ATOM 17 N2 DG A 1 -7.753 4.776 -2.452 1.00 0.70 N ATOM 18 N3 DG A 1 -6.274 3.367 -1.384 1.00 0.46 N ATOM 19 C4 DG A 1 -5.265 2.493 -1.604 1.00 0.34 C ATOM 0 H5' DG A 1 -9.023 1.649 2.331 1.00 1.10 H new ATOM 0 H5'' DG A 1 -8.567 1.890 0.657 1.00 1.10 H new ATOM 0 H4' DG A 1 -6.809 1.023 2.941 1.00 0.61 H new ATOM 0 H3' DG A 1 -7.101 3.696 2.278 1.00 0.38 H new ATOM 0 H2' DG A 1 -5.385 3.910 0.655 1.00 0.30 H new ATOM 0 H2'' DG A 1 -4.267 3.594 1.967 1.00 0.30 H new ATOM 0 HO5' DG A 1 -7.671 -0.455 0.960 1.00 1.34 H new ATOM 0 H1' DG A 1 -3.932 1.444 1.362 1.00 0.30 H new ATOM 0 H8 DG A 1 -2.948 0.365 -0.884 1.00 0.30 H new ATOM 0 H1 DG A 1 -6.709 4.060 -4.552 1.00 0.51 H new ATOM 0 H21 DG A 1 -8.152 5.041 -1.552 1.00 0.70 H new ATOM 0 H22 DG A 1 -8.120 5.182 -3.312 1.00 0.70 H new ATOM 32 P DG A 2 -4.776 2.479 4.599 1.00 0.75 P ATOM 33 OP1 DG A 2 -4.422 1.189 3.964 1.00 1.05 O ATOM 34 OP2 DG A 2 -5.116 2.506 6.042 1.00 1.27 O ATOM 35 O5' DG A 2 -3.578 3.532 4.318 1.00 0.40 O ATOM 36 C5' DG A 2 -2.211 3.087 4.343 1.00 0.36 C ATOM 37 C4' DG A 2 -1.276 3.799 3.272 1.00 0.28 C ATOM 38 O4' DG A 2 -1.828 3.722 1.922 1.00 0.27 O ATOM 39 C3' DG A 2 -0.977 5.324 3.450 1.00 0.30 C ATOM 40 O3' DG A 2 0.236 5.974 3.010 1.00 0.32 O ATOM 41 C2' DG A 2 -1.982 5.911 2.492 1.00 0.28 C ATOM 42 C1' DG A 2 -1.643 5.013 1.298 1.00 0.27 C ATOM 43 N9 DG A 2 -2.538 5.292 0.147 1.00 0.26 N ATOM 44 C8 DG A 2 -3.777 5.907 0.147 1.00 0.32 C ATOM 45 N7 DG A 2 -4.328 5.995 -1.014 1.00 0.37 N ATOM 46 C5 DG A 2 -3.410 5.411 -1.864 1.00 0.32 C ATOM 47 C6 DG A 2 -3.489 5.235 -3.259 1.00 0.36 C ATOM 48 O6 DG A 2 -4.372 5.569 -4.051 1.00 0.46 O ATOM 49 N1 DG A 2 -2.371 4.611 -3.729 1.00 0.34 N ATOM 50 C2 DG A 2 -1.300 4.204 -2.990 1.00 0.31 C ATOM 51 N2 DG A 2 -0.327 3.665 -3.706 1.00 0.36 N ATOM 52 N3 DG A 2 -1.195 4.352 -1.674 1.00 0.28 N ATOM 53 C4 DG A 2 -2.301 4.972 -1.176 1.00 0.27 C ATOM 0 H5' DG A 2 -2.187 2.011 4.171 1.00 0.36 H new ATOM 0 H5'' DG A 2 -1.802 3.260 5.338 1.00 0.36 H new ATOM 0 H4' DG A 2 -0.357 3.236 3.434 1.00 0.28 H new ATOM 0 H3' DG A 2 -0.958 5.463 4.531 1.00 0.30 H new ATOM 0 H2' DG A 2 -3.012 5.805 2.831 1.00 0.28 H new ATOM 0 H2'' DG A 2 -1.819 6.970 2.293 1.00 0.28 H new ATOM 0 H1' DG A 2 -0.658 5.136 0.847 1.00 0.27 H new ATOM 0 H8 DG A 2 -4.244 6.282 1.046 1.00 0.32 H new ATOM 0 H1 DG A 2 -2.332 4.431 -4.732 1.00 0.34 H new ATOM 0 H21 DG A 2 0.519 3.329 -3.246 1.00 0.36 H new ATOM 0 H22 DG A 2 -0.423 3.586 -4.718 1.00 0.36 H new ATOM 65 P DA A 3 0.615 7.451 3.587 1.00 0.39 P ATOM 66 OP1 DA A 3 -0.283 7.767 4.723 1.00 0.42 O ATOM 67 OP2 DA A 3 0.727 8.374 2.433 1.00 0.51 O ATOM 68 O5' DA A 3 2.090 7.092 4.140 1.00 0.48 O ATOM 69 C5' DA A 3 2.273 5.864 4.871 1.00 0.43 C ATOM 70 C4' DA A 3 3.350 4.915 4.200 1.00 0.38 C ATOM 71 O4' DA A 3 2.960 4.650 2.832 1.00 0.35 O ATOM 72 C3' DA A 3 4.859 5.302 4.065 1.00 0.45 C ATOM 73 O3' DA A 3 5.817 4.251 3.781 1.00 0.53 O ATOM 74 C2' DA A 3 4.830 6.040 2.746 1.00 0.43 C ATOM 75 C1' DA A 3 4.020 5.030 1.935 1.00 0.37 C ATOM 76 N9 DA A 3 3.459 5.678 0.746 1.00 0.32 N ATOM 77 C8 DA A 3 2.358 6.465 0.646 1.00 0.31 C ATOM 78 N7 DA A 3 2.133 6.924 -0.552 1.00 0.30 N ATOM 79 C5 DA A 3 3.171 6.393 -1.297 1.00 0.28 C ATOM 80 C6 DA A 3 3.521 6.489 -2.645 1.00 0.29 C ATOM 81 N6 DA A 3 2.836 7.178 -3.539 1.00 0.28 N ATOM 82 N1 DA A 3 4.609 5.834 -3.046 1.00 0.30 N ATOM 83 C2 DA A 3 5.300 5.127 -2.168 1.00 0.32 C ATOM 84 N3 DA A 3 5.078 4.958 -0.878 1.00 0.33 N ATOM 85 C4 DA A 3 3.978 5.630 -0.508 1.00 0.30 C ATOM 0 H5' DA A 3 1.320 5.338 4.937 1.00 0.43 H new ATOM 0 H5'' DA A 3 2.581 6.094 5.891 1.00 0.43 H new ATOM 0 H4' DA A 3 3.331 4.112 4.937 1.00 0.38 H new ATOM 0 H3' DA A 3 5.168 5.764 5.003 1.00 0.45 H new ATOM 0 H2' DA A 3 4.343 7.013 2.817 1.00 0.43 H new ATOM 0 H2'' DA A 3 5.825 6.211 2.335 1.00 0.43 H new ATOM 0 H1' DA A 3 4.614 4.184 1.589 1.00 0.37 H new ATOM 0 H8 DA A 3 1.722 6.692 1.489 1.00 0.31 H new ATOM 0 H61 DA A 3 3.148 7.206 -4.510 1.00 0.28 H new ATOM 0 H62 DA A 3 1.995 7.682 -3.259 1.00 0.28 H new ATOM 0 H2 DA A 3 6.167 4.617 -2.561 1.00 0.32 H new ATOM 97 P DG A 4 6.476 3.165 4.777 1.00 0.70 P ATOM 98 OP1 DG A 4 7.451 3.860 5.650 1.00 1.03 O ATOM 99 OP2 DG A 4 6.906 2.016 3.950 1.00 1.11 O ATOM 100 O5' DG A 4 5.231 2.680 5.683 1.00 0.58 O ATOM 101 C5' DG A 4 5.029 3.142 7.036 1.00 0.50 C ATOM 102 C4' DG A 4 3.999 2.301 7.794 1.00 0.44 C ATOM 103 O4' DG A 4 2.797 2.176 7.001 1.00 0.42 O ATOM 104 C3' DG A 4 4.373 0.882 8.189 1.00 0.47 C ATOM 105 O3' DG A 4 3.662 0.395 9.349 1.00 0.52 O ATOM 106 C2' DG A 4 3.988 0.213 6.877 1.00 0.45 C ATOM 107 C1' DG A 4 2.583 0.791 6.685 1.00 0.40 C ATOM 108 N9 DG A 4 2.047 0.703 5.299 1.00 0.38 N ATOM 109 C8 DG A 4 2.612 1.126 4.117 1.00 0.45 C ATOM 110 N7 DG A 4 1.878 0.922 3.061 1.00 0.50 N ATOM 111 C5 DG A 4 0.742 0.315 3.576 1.00 0.43 C ATOM 112 C6 DG A 4 -0.411 -0.141 2.896 1.00 0.45 C ATOM 113 O6 DG A 4 -0.659 -0.089 1.695 1.00 0.54 O ATOM 114 N1 DG A 4 -1.322 -0.689 3.764 1.00 0.43 N ATOM 115 C2 DG A 4 -1.156 -0.790 5.116 1.00 0.44 C ATOM 116 N2 DG A 4 -2.159 -1.343 5.771 1.00 0.55 N ATOM 117 N3 DG A 4 -0.083 -0.371 5.783 1.00 0.42 N ATOM 118 C4 DG A 4 0.831 0.175 4.941 1.00 0.39 C ATOM 0 H5' DG A 4 4.701 4.181 7.017 1.00 0.50 H new ATOM 0 H5'' DG A 4 5.978 3.117 7.571 1.00 0.50 H new ATOM 0 H4' DG A 4 3.895 2.860 8.724 1.00 0.44 H new ATOM 0 H3' DG A 4 5.399 0.719 8.519 1.00 0.47 H new ATOM 0 H2' DG A 4 4.662 0.476 6.062 1.00 0.45 H new ATOM 0 H2'' DG A 4 3.985 -0.875 6.949 1.00 0.45 H new ATOM 0 H1' DG A 4 1.856 0.248 7.288 1.00 0.40 H new ATOM 0 H8 DG A 4 3.586 1.590 4.069 1.00 0.45 H new ATOM 0 H1 DG A 4 -2.191 -1.049 3.369 1.00 0.43 H new ATOM 0 H21 DG A 4 -2.108 -1.453 6.784 1.00 0.55 H new ATOM 0 H22 DG A 4 -2.985 -1.661 5.265 1.00 0.55 H new ATOM 130 P DG A 5 4.291 -0.759 10.296 1.00 0.66 P ATOM 131 OP1 DG A 5 3.509 -0.858 11.552 1.00 0.84 O ATOM 132 OP2 DG A 5 5.758 -0.567 10.345 1.00 0.85 O ATOM 133 O5' DG A 5 3.949 -2.039 9.360 1.00 0.56 O ATOM 134 C5' DG A 5 2.578 -2.456 9.156 1.00 0.49 C ATOM 135 C4' DG A 5 2.335 -3.372 7.891 1.00 0.41 C ATOM 136 O4' DG A 5 2.560 -2.694 6.610 1.00 0.36 O ATOM 137 C3' DG A 5 3.094 -4.717 7.742 1.00 0.41 C ATOM 138 O3' DG A 5 2.373 -5.872 7.224 1.00 0.48 O ATOM 139 C2' DG A 5 4.133 -4.329 6.702 1.00 0.37 C ATOM 140 C1' DG A 5 3.263 -3.570 5.694 1.00 0.32 C ATOM 141 N9 DG A 5 4.061 -2.910 4.599 1.00 0.34 N ATOM 142 C8 DG A 5 5.395 -2.556 4.602 1.00 0.36 C ATOM 143 N7 DG A 5 5.820 -2.028 3.499 1.00 0.37 N ATOM 144 C5 DG A 5 4.709 -2.022 2.670 1.00 0.34 C ATOM 145 C6 DG A 5 4.588 -1.560 1.322 1.00 0.35 C ATOM 146 O6 DG A 5 5.434 -1.082 0.576 1.00 0.38 O ATOM 147 N1 DG A 5 3.313 -1.733 0.859 1.00 0.33 N ATOM 148 C2 DG A 5 2.303 -2.276 1.592 1.00 0.31 C ATOM 149 N2 DG A 5 1.173 -2.373 0.949 1.00 0.31 N ATOM 150 N3 DG A 5 2.370 -2.718 2.843 1.00 0.32 N ATOM 151 C4 DG A 5 3.621 -2.558 3.327 1.00 0.33 C ATOM 0 H5' DG A 5 1.954 -1.567 9.066 1.00 0.49 H new ATOM 0 H5'' DG A 5 2.242 -2.993 10.043 1.00 0.49 H new ATOM 0 H4' DG A 5 1.293 -3.601 8.112 1.00 0.41 H new ATOM 0 H3' DG A 5 3.408 -5.061 8.727 1.00 0.41 H new ATOM 0 H2' DG A 5 4.922 -3.704 7.120 1.00 0.37 H new ATOM 0 H2'' DG A 5 4.617 -5.199 6.257 1.00 0.37 H new ATOM 0 H1' DG A 5 2.593 -4.169 5.077 1.00 0.32 H new ATOM 0 H8 DG A 5 6.035 -2.708 5.459 1.00 0.36 H new ATOM 0 H1 DG A 5 3.106 -1.437 -0.095 1.00 0.33 H new ATOM 0 H21 DG A 5 0.355 -2.768 1.413 1.00 0.31 H new ATOM 0 H22 DG A 5 1.107 -2.054 -0.018 1.00 0.31 H new ATOM 163 P DA A 6 1.489 -6.831 8.190 1.00 0.50 P ATOM 164 OP1 DA A 6 2.300 -7.096 9.398 1.00 0.61 O ATOM 165 OP2 DA A 6 0.948 -7.956 7.398 1.00 0.59 O ATOM 166 O5' DA A 6 0.315 -5.819 8.588 1.00 0.56 O ATOM 167 C5' DA A 6 -0.893 -6.166 9.270 1.00 0.45 C ATOM 168 C4' DA A 6 -1.965 -6.841 8.348 1.00 0.39 C ATOM 169 O4' DA A 6 -1.967 -6.230 7.036 1.00 0.41 O ATOM 170 C3' DA A 6 -1.818 -8.309 8.002 1.00 0.35 C ATOM 171 O3' DA A 6 -2.304 -9.162 9.041 1.00 0.50 O ATOM 172 C2' DA A 6 -2.728 -8.452 6.797 1.00 0.43 C ATOM 173 C1' DA A 6 -2.377 -7.188 6.028 1.00 0.35 C ATOM 174 N9 DA A 6 -1.432 -7.344 4.886 1.00 0.26 N ATOM 175 C8 DA A 6 -0.116 -6.984 4.790 1.00 0.23 C ATOM 176 N7 DA A 6 0.429 -7.257 3.634 1.00 0.21 N ATOM 177 C5 DA A 6 -0.597 -7.838 2.903 1.00 0.21 C ATOM 178 C6 DA A 6 -0.669 -8.351 1.595 1.00 0.25 C ATOM 179 N6 DA A 6 0.356 -8.358 0.750 1.00 0.25 N ATOM 180 N1 DA A 6 -1.841 -8.849 1.196 1.00 0.32 N ATOM 181 C2 DA A 6 -2.875 -8.843 2.028 1.00 0.37 C ATOM 182 N3 DA A 6 -2.930 -8.394 3.277 1.00 0.35 N ATOM 183 C4 DA A 6 -1.735 -7.896 3.656 1.00 0.26 C ATOM 0 H5' DA A 6 -1.321 -5.267 9.712 1.00 0.45 H new ATOM 0 H5'' DA A 6 -0.655 -6.842 10.091 1.00 0.45 H new ATOM 0 H4' DA A 6 -2.851 -6.709 8.969 1.00 0.39 H new ATOM 0 H3' DA A 6 -0.777 -8.588 7.841 1.00 0.35 H new ATOM 0 H2' DA A 6 -2.519 -9.356 6.225 1.00 0.43 H new ATOM 0 H2'' DA A 6 -3.781 -8.488 7.076 1.00 0.43 H new ATOM 0 H1' DA A 6 -3.249 -6.838 5.475 1.00 0.35 H new ATOM 0 H8 DA A 6 0.425 -6.515 5.599 1.00 0.23 H new ATOM 0 H61 DA A 6 0.242 -8.744 -0.187 1.00 0.25 H new ATOM 0 H62 DA A 6 1.257 -7.977 1.038 1.00 0.25 H new ATOM 0 H2 DA A 6 -3.793 -9.258 1.638 1.00 0.37 H new ATOM 195 P DT A 7 -2.071 -10.744 9.186 1.00 0.94 P ATOM 196 OP1 DT A 7 -3.011 -11.204 10.233 1.00 1.43 O ATOM 197 OP2 DT A 7 -0.625 -11.023 9.319 1.00 1.57 O ATOM 198 O5' DT A 7 -2.574 -11.394 7.810 1.00 1.00 O ATOM 199 C5' DT A 7 -3.928 -11.755 7.468 1.00 1.14 C ATOM 200 C4' DT A 7 -3.898 -12.324 6.046 1.00 1.20 C ATOM 201 O4' DT A 7 -3.264 -11.389 5.144 1.00 1.11 O ATOM 202 C3' DT A 7 -3.143 -13.604 5.884 1.00 1.33 C ATOM 203 O3' DT A 7 -4.030 -14.668 6.050 1.00 1.58 O ATOM 204 C2' DT A 7 -2.499 -13.573 4.500 1.00 1.41 C ATOM 205 C1' DT A 7 -2.492 -12.081 4.135 1.00 1.23 C ATOM 206 N1 DT A 7 -1.099 -11.576 4.141 1.00 1.15 N ATOM 207 C2 DT A 7 -0.454 -11.321 2.946 1.00 1.34 C ATOM 208 O2 DT A 7 -0.954 -11.491 1.842 1.00 1.57 O ATOM 209 N3 DT A 7 0.835 -10.865 3.059 1.00 1.34 N ATOM 210 C4 DT A 7 1.530 -10.643 4.242 1.00 1.19 C ATOM 211 O4 DT A 7 2.686 -10.238 4.205 1.00 1.33 O ATOM 212 C5 DT A 7 0.784 -10.935 5.448 1.00 0.94 C ATOM 213 C7 DT A 7 1.399 -10.747 6.840 1.00 0.77 C ATOM 214 C6 DT A 7 -0.476 -11.386 5.341 1.00 0.93 C ATOM 0 H5' DT A 7 -4.583 -10.886 7.521 1.00 1.14 H new ATOM 0 H5'' DT A 7 -4.319 -12.492 8.169 1.00 1.14 H new ATOM 0 H4' DT A 7 -4.949 -12.508 5.823 1.00 1.20 H new ATOM 0 H3' DT A 7 -2.356 -13.729 6.628 1.00 1.33 H new ATOM 0 H2' DT A 7 -1.490 -13.985 4.518 1.00 1.41 H new ATOM 0 H2'' DT A 7 -3.070 -14.159 3.780 1.00 1.41 H new ATOM 0 HO3' DT A 7 -3.548 -15.515 5.945 1.00 1.58 H new ATOM 0 H1' DT A 7 -2.916 -11.920 3.144 1.00 1.23 H new ATOM 0 H3 DT A 7 1.332 -10.670 2.190 1.00 1.34 H new ATOM 0 H71 DT A 7 0.614 -10.497 7.554 1.00 0.77 H new ATOM 0 H72 DT A 7 1.889 -11.670 7.149 1.00 0.77 H new ATOM 0 H73 DT A 7 2.131 -9.940 6.808 1.00 0.77 H new ATOM 0 H6 DT A 7 -1.022 -11.609 6.246 1.00 0.93 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.525 -0.334 -1.280 1.00 1.39 O ATOM 230 C5' DG B 1 -8.226 -1.710 -1.492 1.00 1.08 C ATOM 231 C4' DG B 1 -6.718 -1.860 -1.876 1.00 0.58 C ATOM 232 O4' DG B 1 -5.965 -1.386 -0.743 1.00 0.38 O ATOM 233 C3' DG B 1 -6.093 -3.220 -2.265 1.00 0.37 C ATOM 234 O3' DG B 1 -5.740 -3.386 -3.651 1.00 0.59 O ATOM 235 C2' DG B 1 -4.925 -3.413 -1.267 1.00 0.31 C ATOM 236 C1' DG B 1 -4.685 -2.023 -0.663 1.00 0.32 C ATOM 237 N9 DG B 1 -4.485 -1.980 0.813 1.00 0.30 N ATOM 238 C8 DG B 1 -3.628 -1.196 1.547 1.00 0.32 C ATOM 239 N7 DG B 1 -3.713 -1.383 2.835 1.00 0.35 N ATOM 240 C5 DG B 1 -4.688 -2.356 2.978 1.00 0.36 C ATOM 241 C6 DG B 1 -5.202 -2.957 4.152 1.00 0.44 C ATOM 242 O6 DG B 1 -4.881 -2.734 5.313 1.00 0.49 O ATOM 243 N1 DG B 1 -6.179 -3.896 3.871 1.00 0.51 N ATOM 244 C2 DG B 1 -6.613 -4.221 2.612 1.00 0.53 C ATOM 245 N2 DG B 1 -7.559 -5.144 2.530 1.00 0.69 N ATOM 246 N3 DG B 1 -6.128 -3.654 1.506 1.00 0.45 N ATOM 247 C4 DG B 1 -5.171 -2.731 1.754 1.00 0.35 C ATOM 0 H5' DG B 1 -8.856 -2.113 -2.285 1.00 1.08 H new ATOM 0 H5'' DG B 1 -8.442 -2.284 -0.591 1.00 1.08 H new ATOM 0 H4' DG B 1 -6.672 -1.312 -2.817 1.00 0.58 H new ATOM 0 H3' DG B 1 -6.834 -4.015 -2.182 1.00 0.37 H new ATOM 0 H2' DG B 1 -5.181 -4.140 -0.496 1.00 0.31 H new ATOM 0 H2'' DG B 1 -4.032 -3.784 -1.771 1.00 0.31 H new ATOM 0 HO5' DG B 1 -8.896 -0.215 -0.381 1.00 1.39 H new ATOM 0 H1' DG B 1 -3.815 -1.613 -1.177 1.00 0.32 H new ATOM 0 H8 DG B 1 -2.946 -0.489 1.098 1.00 0.32 H new ATOM 0 H1 DG B 1 -6.608 -4.382 4.659 1.00 0.51 H new ATOM 0 H21 DG B 1 -7.920 -5.425 1.618 1.00 0.69 H new ATOM 0 H22 DG B 1 -7.927 -5.574 3.379 1.00 0.69 H new ATOM 260 P DG B 2 -4.519 -2.672 -4.429 1.00 0.74 P ATOM 261 OP1 DG B 2 -4.244 -1.368 -3.783 1.00 1.06 O ATOM 262 OP2 DG B 2 -4.820 -2.712 -5.880 1.00 1.26 O ATOM 263 O5' DG B 2 -3.277 -3.664 -4.119 1.00 0.40 O ATOM 264 C5' DG B 2 -1.932 -3.158 -4.115 1.00 0.36 C ATOM 265 C4' DG B 2 -0.992 -3.826 -3.019 1.00 0.31 C ATOM 266 O4' DG B 2 -1.583 -3.778 -1.685 1.00 0.28 O ATOM 267 C3' DG B 2 -0.614 -5.334 -3.188 1.00 0.29 C ATOM 268 O3' DG B 2 0.622 -5.915 -2.720 1.00 0.35 O ATOM 269 C2' DG B 2 -1.600 -5.977 -2.249 1.00 0.26 C ATOM 270 C1' DG B 2 -1.346 -5.055 -1.053 1.00 0.27 C ATOM 271 N9 DG B 2 -2.258 -5.383 0.071 1.00 0.28 N ATOM 272 C8 DG B 2 -3.463 -6.063 0.037 1.00 0.34 C ATOM 273 N7 DG B 2 -4.038 -6.182 1.183 1.00 0.36 N ATOM 274 C5 DG B 2 -3.175 -5.553 2.058 1.00 0.32 C ATOM 275 C6 DG B 2 -3.301 -5.382 3.450 1.00 0.36 C ATOM 276 O6 DG B 2 -4.188 -5.764 4.216 1.00 0.45 O ATOM 277 N1 DG B 2 -2.229 -4.704 3.950 1.00 0.34 N ATOM 278 C2 DG B 2 -1.163 -4.238 3.241 1.00 0.31 C ATOM 279 N2 DG B 2 -0.240 -3.651 3.988 1.00 0.36 N ATOM 280 N3 DG B 2 -1.013 -4.380 1.928 1.00 0.28 N ATOM 281 C4 DG B 2 -2.074 -5.055 1.400 1.00 0.27 C ATOM 0 H5' DG B 2 -1.960 -2.081 -3.947 1.00 0.36 H new ATOM 0 H5'' DG B 2 -1.493 -3.315 -5.100 1.00 0.36 H new ATOM 0 H4' DG B 2 -0.097 -3.219 -3.158 1.00 0.31 H new ATOM 0 H3' DG B 2 -0.573 -5.472 -4.268 1.00 0.29 H new ATOM 0 H2' DG B 2 -2.627 -5.938 -2.611 1.00 0.26 H new ATOM 0 H2'' DG B 2 -1.376 -7.023 -2.040 1.00 0.26 H new ATOM 0 H1' DG B 2 -0.368 -5.118 -0.575 1.00 0.27 H new ATOM 0 H8 DG B 2 -3.885 -6.460 -0.874 1.00 0.34 H new ATOM 0 H1 DG B 2 -2.225 -4.528 4.955 1.00 0.34 H new ATOM 0 H21 DG B 2 0.599 -3.267 3.554 1.00 0.36 H new ATOM 0 H22 DG B 2 -0.369 -3.583 4.998 1.00 0.36 H new ATOM 293 P DA B 3 1.091 -7.369 -3.287 1.00 0.40 P ATOM 294 OP1 DA B 3 0.242 -7.726 -4.449 1.00 0.45 O ATOM 295 OP2 DA B 3 1.219 -8.290 -2.132 1.00 0.54 O ATOM 296 O5' DA B 3 2.559 -6.933 -3.798 1.00 0.49 O ATOM 297 C5' DA B 3 2.700 -5.696 -4.525 1.00 0.42 C ATOM 298 C4' DA B 3 3.708 -4.695 -3.824 1.00 0.39 C ATOM 299 O4' DA B 3 3.270 -4.455 -2.465 1.00 0.38 O ATOM 300 C3' DA B 3 5.232 -5.004 -3.651 1.00 0.45 C ATOM 301 O3' DA B 3 6.125 -3.906 -3.336 1.00 0.55 O ATOM 302 C2' DA B 3 5.209 -5.745 -2.333 1.00 0.45 C ATOM 303 C1' DA B 3 4.326 -4.782 -1.541 1.00 0.39 C ATOM 304 N9 DA B 3 3.767 -5.460 -0.367 1.00 0.34 N ATOM 305 C8 DA B 3 2.708 -6.303 -0.300 1.00 0.33 C ATOM 306 N7 DA B 3 2.473 -6.776 0.890 1.00 0.30 N ATOM 307 C5 DA B 3 3.460 -6.194 1.667 1.00 0.29 C ATOM 308 C6 DA B 3 3.774 -6.278 3.024 1.00 0.28 C ATOM 309 N6 DA B 3 3.092 -7.008 3.888 1.00 0.28 N ATOM 310 N1 DA B 3 4.815 -5.569 3.457 1.00 0.30 N ATOM 311 C2 DA B 3 5.496 -4.824 2.601 1.00 0.32 C ATOM 312 N3 DA B 3 5.302 -4.662 1.305 1.00 0.33 N ATOM 313 C4 DA B 3 4.250 -5.389 0.902 1.00 0.31 C ATOM 0 H5' DA B 3 1.724 -5.219 -4.618 1.00 0.42 H new ATOM 0 H5'' DA B 3 3.048 -5.909 -5.536 1.00 0.42 H new ATOM 0 H4' DA B 3 3.665 -3.891 -4.559 1.00 0.39 H new ATOM 0 H3' DA B 3 5.587 -5.446 -4.582 1.00 0.45 H new ATOM 0 H2' DA B 3 4.777 -6.742 -2.417 1.00 0.45 H new ATOM 0 H2'' DA B 3 6.201 -5.863 -1.898 1.00 0.45 H new ATOM 0 H1' DA B 3 4.867 -3.908 -1.178 1.00 0.39 H new ATOM 0 H8 DA B 3 2.109 -6.561 -1.161 1.00 0.33 H new ATOM 0 H61 DA B 3 3.370 -7.029 4.869 1.00 0.28 H new ATOM 0 H62 DA B 3 2.287 -7.550 3.574 1.00 0.28 H new ATOM 0 H2 DA B 3 6.325 -4.273 3.020 1.00 0.32 H new ATOM 325 P DG B 4 6.756 -2.786 -4.313 1.00 0.71 P ATOM 326 OP1 DG B 4 7.788 -3.427 -5.161 1.00 1.04 O ATOM 327 OP2 DG B 4 7.104 -1.619 -3.473 1.00 1.12 O ATOM 328 O5' DG B 4 5.514 -2.362 -5.251 1.00 0.59 O ATOM 329 C5' DG B 4 5.367 -2.833 -6.609 1.00 0.49 C ATOM 330 C4' DG B 4 4.319 -2.037 -7.390 1.00 0.42 C ATOM 331 O4' DG B 4 3.093 -1.978 -6.630 1.00 0.40 O ATOM 332 C3' DG B 4 4.628 -0.598 -7.773 1.00 0.46 C ATOM 333 O3' DG B 4 3.926 -0.148 -8.952 1.00 0.51 O ATOM 334 C2' DG B 4 4.171 0.047 -6.473 1.00 0.45 C ATOM 335 C1' DG B 4 2.796 -0.609 -6.321 1.00 0.39 C ATOM 336 N9 DG B 4 2.221 -0.552 -4.949 1.00 0.39 N ATOM 337 C8 DG B 4 2.775 -0.949 -3.752 1.00 0.45 C ATOM 338 N7 DG B 4 2.004 -0.786 -2.716 1.00 0.49 N ATOM 339 C5 DG B 4 0.852 -0.235 -3.260 1.00 0.43 C ATOM 340 C6 DG B 4 -0.339 0.159 -2.611 1.00 0.45 C ATOM 341 O6 DG B 4 -0.613 0.091 -1.417 1.00 0.51 O ATOM 342 N1 DG B 4 -1.253 0.663 -3.500 1.00 0.44 N ATOM 343 C2 DG B 4 -1.056 0.776 -4.848 1.00 0.44 C ATOM 344 N2 DG B 4 -2.069 1.281 -5.527 1.00 0.56 N ATOM 345 N3 DG B 4 0.053 0.416 -5.489 1.00 0.43 N ATOM 346 C4 DG B 4 0.972 -0.086 -4.622 1.00 0.40 C ATOM 0 H5' DG B 4 5.086 -3.886 -6.597 1.00 0.49 H new ATOM 0 H5'' DG B 4 6.327 -2.765 -7.121 1.00 0.49 H new ATOM 0 H4' DG B 4 4.273 -2.594 -8.326 1.00 0.42 H new ATOM 0 H3' DG B 4 5.653 -0.380 -8.073 1.00 0.46 H new ATOM 0 H2' DG B 4 4.835 -0.179 -5.639 1.00 0.45 H new ATOM 0 H2'' DG B 4 4.109 1.133 -6.546 1.00 0.45 H new ATOM 0 H1' DG B 4 2.057 -0.107 -6.945 1.00 0.39 H new ATOM 0 H8 DG B 4 3.770 -1.363 -3.679 1.00 0.45 H new ATOM 0 H1 DG B 4 -2.149 0.978 -3.127 1.00 0.44 H new ATOM 0 H21 DG B 4 -1.998 1.397 -6.538 1.00 0.56 H new ATOM 0 H22 DG B 4 -2.923 1.555 -5.041 1.00 0.56 H new ATOM 358 P DG B 5 4.519 1.041 -9.881 1.00 0.65 P ATOM 359 OP1 DG B 5 3.768 1.104 -11.158 1.00 0.83 O ATOM 360 OP2 DG B 5 5.996 0.928 -9.889 1.00 0.85 O ATOM 361 O5' DG B 5 4.084 2.297 -8.951 1.00 0.57 O ATOM 362 C5' DG B 5 2.687 2.642 -8.781 1.00 0.50 C ATOM 363 C4' DG B 5 2.362 3.547 -7.525 1.00 0.41 C ATOM 364 O4' DG B 5 2.570 2.890 -6.227 1.00 0.38 O ATOM 365 C3' DG B 5 3.063 4.917 -7.362 1.00 0.42 C ATOM 366 O3' DG B 5 2.279 6.038 -6.848 1.00 0.47 O ATOM 367 C2' DG B 5 4.122 4.518 -6.341 1.00 0.39 C ATOM 368 C1' DG B 5 3.251 3.788 -5.312 1.00 0.35 C ATOM 369 N9 DG B 5 4.038 3.159 -4.192 1.00 0.34 N ATOM 370 C8 DG B 5 5.386 2.867 -4.156 1.00 0.36 C ATOM 371 N7 DG B 5 5.804 2.357 -3.042 1.00 0.36 N ATOM 372 C5 DG B 5 4.672 2.296 -2.245 1.00 0.34 C ATOM 373 C6 DG B 5 4.537 1.822 -0.902 1.00 0.34 C ATOM 374 O6 DG B 5 5.385 1.384 -0.134 1.00 0.36 O ATOM 375 N1 DG B 5 3.243 1.936 -0.474 1.00 0.33 N ATOM 376 C2 DG B 5 2.229 2.430 -1.235 1.00 0.32 C ATOM 377 N2 DG B 5 1.078 2.472 -0.629 1.00 0.33 N ATOM 378 N3 DG B 5 2.308 2.881 -2.483 1.00 0.32 N ATOM 379 C4 DG B 5 3.578 2.781 -2.933 1.00 0.33 C ATOM 0 H5' DG B 5 2.109 1.721 -8.704 1.00 0.50 H new ATOM 0 H5'' DG B 5 2.346 3.158 -9.678 1.00 0.50 H new ATOM 0 H4' DG B 5 1.317 3.722 -7.779 1.00 0.41 H new ATOM 0 H3' DG B 5 3.373 5.317 -8.327 1.00 0.42 H new ATOM 0 H2' DG B 5 4.889 3.872 -6.769 1.00 0.39 H new ATOM 0 H2'' DG B 5 4.634 5.381 -5.915 1.00 0.39 H new ATOM 0 H1' DG B 5 2.577 4.395 -4.707 1.00 0.35 H new ATOM 0 H8 DG B 5 6.043 3.050 -4.994 1.00 0.36 H new ATOM 0 H1 DG B 5 3.025 1.632 0.475 1.00 0.33 H new ATOM 0 H21 DG B 5 0.257 2.827 -1.118 1.00 0.33 H new ATOM 0 H22 DG B 5 0.997 2.150 0.335 1.00 0.33 H new ATOM 391 P DA B 6 1.363 6.952 -7.832 1.00 0.49 P ATOM 392 OP1 DA B 6 2.188 7.265 -9.021 1.00 0.62 O ATOM 393 OP2 DA B 6 0.745 8.047 -7.054 1.00 0.57 O ATOM 394 O5' DA B 6 0.251 5.887 -8.268 1.00 0.59 O ATOM 395 C5' DA B 6 -0.953 6.181 -8.983 1.00 0.47 C ATOM 396 C4' DA B 6 -2.084 6.797 -8.087 1.00 0.36 C ATOM 397 O4' DA B 6 -2.091 6.185 -6.776 1.00 0.39 O ATOM 398 C3' DA B 6 -2.029 8.275 -7.733 1.00 0.34 C ATOM 399 O3' DA B 6 -2.530 9.098 -8.786 1.00 0.49 O ATOM 400 C2' DA B 6 -2.990 8.368 -6.560 1.00 0.42 C ATOM 401 C1' DA B 6 -2.583 7.117 -5.780 1.00 0.36 C ATOM 402 N9 DA B 6 -1.674 7.312 -4.611 1.00 0.25 N ATOM 403 C8 DA B 6 -0.343 7.018 -4.481 1.00 0.22 C ATOM 404 N7 DA B 6 0.156 7.313 -3.308 1.00 0.21 N ATOM 405 C5 DA B 6 -0.917 7.839 -2.603 1.00 0.20 C ATOM 406 C6 DA B 6 -1.053 8.346 -1.293 1.00 0.23 C ATOM 407 N6 DA B 6 -0.068 8.412 -0.399 1.00 0.24 N ATOM 408 N1 DA B 6 -2.262 8.782 -0.932 1.00 0.29 N ATOM 409 C2 DA B 6 -3.268 8.724 -1.793 1.00 0.34 C ATOM 410 N3 DA B 6 -3.264 8.278 -3.044 1.00 0.33 N ATOM 411 C4 DA B 6 -2.035 7.842 -3.388 1.00 0.25 C ATOM 0 H5' DA B 6 -1.325 5.265 -9.443 1.00 0.47 H new ATOM 0 H5'' DA B 6 -0.724 6.875 -9.792 1.00 0.47 H new ATOM 0 H4' DA B 6 -2.942 6.619 -8.735 1.00 0.36 H new ATOM 0 H3' DA B 6 -1.010 8.609 -7.535 1.00 0.34 H new ATOM 0 H2' DA B 6 -2.854 9.282 -5.982 1.00 0.42 H new ATOM 0 H2'' DA B 6 -4.034 8.342 -6.874 1.00 0.42 H new ATOM 0 H1' DA B 6 -3.453 6.727 -5.252 1.00 0.36 H new ATOM 0 H8 DA B 6 0.243 6.581 -5.276 1.00 0.22 H new ATOM 0 H61 DA B 6 -0.247 8.793 0.530 1.00 0.24 H new ATOM 0 H62 DA B 6 0.865 8.081 -0.643 1.00 0.24 H new ATOM 0 H2 DA B 6 -4.217 9.088 -1.429 1.00 0.34 H new ATOM 423 P DT B 7 -2.369 10.689 -8.922 1.00 0.93 P ATOM 424 OP1 DT B 7 -3.302 11.108 -9.991 1.00 1.42 O ATOM 425 OP2 DT B 7 -0.935 11.036 -9.019 1.00 1.53 O ATOM 426 O5' DT B 7 -2.932 11.313 -7.558 1.00 0.99 O ATOM 427 C5' DT B 7 -4.311 11.608 -7.244 1.00 1.12 C ATOM 428 C4' DT B 7 -4.351 12.139 -5.820 1.00 1.19 C ATOM 429 O4' DT B 7 -3.659 11.234 -4.940 1.00 1.10 O ATOM 430 C3' DT B 7 -3.670 13.486 -5.631 1.00 1.33 C ATOM 431 O3' DT B 7 -4.559 14.572 -5.863 1.00 1.58 O ATOM 432 C2' DT B 7 -3.180 13.465 -4.183 1.00 1.40 C ATOM 433 C1' DT B 7 -2.984 11.961 -3.893 1.00 1.21 C ATOM 434 N1 DT B 7 -1.567 11.536 -3.865 1.00 1.13 N ATOM 435 C2 DT B 7 -0.943 11.339 -2.644 1.00 1.35 C ATOM 436 O2 DT B 7 -1.487 11.484 -1.556 1.00 1.56 O ATOM 437 N3 DT B 7 0.374 10.957 -2.722 1.00 1.34 N ATOM 438 C4 DT B 7 1.110 10.762 -3.887 1.00 1.18 C ATOM 439 O4 DT B 7 2.285 10.426 -3.810 1.00 1.33 O ATOM 440 C5 DT B 7 0.383 10.991 -5.120 1.00 0.93 C ATOM 441 C7 DT B 7 1.031 10.823 -6.504 1.00 0.81 C ATOM 442 C6 DT B 7 -0.902 11.358 -5.051 1.00 0.91 C ATOM 0 H5' DT B 7 -4.926 10.713 -7.337 1.00 1.12 H new ATOM 0 H5'' DT B 7 -4.714 12.344 -7.939 1.00 1.12 H new ATOM 0 H4' DT B 7 -5.413 12.242 -5.596 1.00 1.19 H new ATOM 0 H3' DT B 7 -2.858 13.633 -6.343 1.00 1.33 H new ATOM 0 H2' DT B 7 -2.250 14.021 -4.065 1.00 1.40 H new ATOM 0 H2'' DT B 7 -3.907 13.913 -3.506 1.00 1.40 H new ATOM 0 HO3' DT B 7 -4.083 15.418 -5.730 1.00 1.58 H new ATOM 0 H1' DT B 7 -3.386 11.758 -2.900 1.00 1.21 H new ATOM 0 H3 DT B 7 0.861 10.801 -1.839 1.00 1.34 H new ATOM 0 H71 DT B 7 0.273 10.518 -7.226 1.00 0.81 H new ATOM 0 H72 DT B 7 1.471 11.770 -6.817 1.00 0.81 H new ATOM 0 H73 DT B 7 1.809 10.061 -6.451 1.00 0.81 H new ATOM 0 H6 DT B 7 -1.441 11.522 -5.973 1.00 0.91 H new TER 456 DT B 7