USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 65:sc= 1.02 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-1.01) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-1.68!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.213 (180deg=-2.78!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.699 (180deg=-0.699) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.464 (180deg=-2.57) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.543 -1.788 -9.569 1.00 0.28 O ATOM 2 C5' DG A 1 6.123 -0.739 -10.460 1.00 0.25 C ATOM 3 C4' DG A 1 7.004 -0.746 -11.725 1.00 0.23 C ATOM 4 O4' DG A 1 8.410 -0.559 -11.379 1.00 0.25 O ATOM 5 C3' DG A 1 6.865 -2.047 -12.557 1.00 0.23 C ATOM 6 O3' DG A 1 6.991 -1.812 -13.958 1.00 0.25 O ATOM 7 C2' DG A 1 8.057 -2.768 -11.993 1.00 0.24 C ATOM 8 C1' DG A 1 9.127 -1.680 -11.910 1.00 0.27 C ATOM 9 N9 DG A 1 10.304 -2.045 -11.079 1.00 0.26 N ATOM 10 C8 DG A 1 11.587 -2.345 -11.456 1.00 0.32 C ATOM 11 N7 DG A 1 12.370 -2.635 -10.451 1.00 0.29 N ATOM 12 C5 DG A 1 11.555 -2.511 -9.335 1.00 0.21 C ATOM 13 C6 DG A 1 11.847 -2.698 -7.968 1.00 0.18 C ATOM 14 O6 DG A 1 12.911 -3.043 -7.472 1.00 0.20 O ATOM 15 N1 DG A 1 10.760 -2.472 -7.168 1.00 0.17 N ATOM 16 C2 DG A 1 9.509 -2.115 -7.618 1.00 0.18 C ATOM 17 N2 DG A 1 8.560 -1.959 -6.718 1.00 0.25 N ATOM 18 N3 DG A 1 9.221 -1.940 -8.903 1.00 0.19 N ATOM 19 C4 DG A 1 10.294 -2.153 -9.706 1.00 0.20 C ATOM 0 H5' DG A 1 6.196 0.227 -9.960 1.00 0.25 H new ATOM 0 H5'' DG A 1 5.077 -0.878 -10.733 1.00 0.25 H new ATOM 0 H4' DG A 1 6.650 0.084 -12.337 1.00 0.23 H new ATOM 0 H3' DG A 1 5.908 -2.564 -12.487 1.00 0.23 H new ATOM 0 H2' DG A 1 7.841 -3.194 -11.013 1.00 0.24 H new ATOM 0 H2'' DG A 1 8.370 -3.590 -12.636 1.00 0.24 H new ATOM 0 HO5' DG A 1 7.452 -1.604 -9.253 1.00 0.28 H new ATOM 0 H1' DG A 1 9.581 -1.486 -12.882 1.00 0.27 H new ATOM 0 H8 DG A 1 11.919 -2.342 -12.484 1.00 0.32 H new ATOM 0 H1 DG A 1 10.886 -2.576 -6.161 1.00 0.17 H new ATOM 0 H21 DG A 1 7.619 -1.695 -7.010 1.00 0.25 H new ATOM 0 H22 DG A 1 8.766 -2.102 -5.729 1.00 0.25 H new ATOM 32 P DG A 2 6.820 -2.965 -15.114 1.00 0.24 P ATOM 33 OP1 DG A 2 7.088 -2.347 -16.422 1.00 0.33 O ATOM 34 OP2 DG A 2 5.557 -3.695 -14.904 1.00 0.28 O ATOM 35 O5' DG A 2 8.028 -3.954 -14.764 1.00 0.30 O ATOM 36 C5' DG A 2 9.404 -3.792 -15.145 1.00 0.28 C ATOM 37 C4' DG A 2 10.378 -4.713 -14.406 1.00 0.24 C ATOM 38 O4' DG A 2 10.437 -4.474 -12.981 1.00 0.27 O ATOM 39 C3' DG A 2 10.096 -6.219 -14.575 1.00 0.22 C ATOM 40 O3' DG A 2 11.224 -6.945 -14.986 1.00 0.24 O ATOM 41 C2' DG A 2 9.796 -6.532 -13.128 1.00 0.22 C ATOM 42 C1' DG A 2 10.747 -5.694 -12.352 1.00 0.21 C ATOM 43 N9 DG A 2 10.682 -5.718 -10.880 1.00 0.19 N ATOM 44 C8 DG A 2 9.702 -5.226 -10.016 1.00 0.20 C ATOM 45 N7 DG A 2 9.992 -5.356 -8.751 1.00 0.20 N ATOM 46 C5 DG A 2 11.235 -5.977 -8.794 1.00 0.17 C ATOM 47 C6 DG A 2 12.072 -6.377 -7.708 1.00 0.19 C ATOM 48 O6 DG A 2 11.847 -6.280 -6.500 1.00 0.25 O ATOM 49 N1 DG A 2 13.230 -6.953 -8.142 1.00 0.19 N ATOM 50 C2 DG A 2 13.580 -7.147 -9.460 1.00 0.19 C ATOM 51 N2 DG A 2 14.741 -7.680 -9.749 1.00 0.23 N ATOM 52 N3 DG A 2 12.806 -6.778 -10.467 1.00 0.18 N ATOM 53 C4 DG A 2 11.657 -6.199 -10.067 1.00 0.16 C ATOM 0 H5' DG A 2 9.697 -2.757 -14.969 1.00 0.28 H new ATOM 0 H5'' DG A 2 9.495 -3.972 -16.216 1.00 0.28 H new ATOM 0 H4' DG A 2 11.324 -4.458 -14.884 1.00 0.24 H new ATOM 0 H3' DG A 2 9.338 -6.462 -15.320 1.00 0.22 H new ATOM 0 H2' DG A 2 8.763 -6.292 -12.878 1.00 0.22 H new ATOM 0 H2'' DG A 2 9.938 -7.592 -12.915 1.00 0.22 H new ATOM 0 H1' DG A 2 11.785 -6.023 -12.386 1.00 0.21 H new ATOM 0 H8 DG A 2 8.784 -4.777 -10.365 1.00 0.20 H new ATOM 0 H1 DG A 2 13.892 -7.266 -7.432 1.00 0.19 H new ATOM 0 H21 DG A 2 15.007 -7.827 -10.723 1.00 0.23 H new ATOM 0 H22 DG A 2 15.379 -7.948 -9.000 1.00 0.23 H new ATOM 65 P DT A 3 11.160 -8.208 -15.959 1.00 0.21 P ATOM 66 OP1 DT A 3 12.205 -9.149 -15.513 1.00 0.35 O ATOM 67 OP2 DT A 3 11.135 -7.747 -17.356 1.00 0.30 O ATOM 68 O5' DT A 3 9.703 -8.870 -15.678 1.00 0.25 O ATOM 69 C5' DT A 3 9.369 -9.952 -14.800 1.00 0.26 C ATOM 70 C4' DT A 3 7.874 -9.914 -14.434 1.00 0.29 C ATOM 71 O4' DT A 3 7.060 -9.911 -15.607 1.00 0.33 O ATOM 72 C3' DT A 3 7.336 -8.722 -13.697 1.00 0.24 C ATOM 73 O3' DT A 3 7.591 -8.838 -12.295 1.00 0.24 O ATOM 74 C2' DT A 3 5.794 -8.819 -13.941 1.00 0.38 C ATOM 75 C1' DT A 3 5.927 -9.043 -15.452 1.00 0.33 C ATOM 76 N1 DT A 3 6.057 -7.800 -16.268 1.00 0.38 N ATOM 77 C2 DT A 3 5.134 -6.827 -16.119 1.00 0.53 C ATOM 78 O2 DT A 3 4.145 -6.904 -15.399 1.00 0.66 O ATOM 79 N3 DT A 3 5.384 -5.719 -16.876 1.00 0.63 N ATOM 80 C4 DT A 3 6.418 -5.466 -17.742 1.00 0.58 C ATOM 81 O4 DT A 3 6.490 -4.407 -18.317 1.00 0.67 O ATOM 82 C5 DT A 3 7.298 -6.509 -17.836 1.00 0.48 C ATOM 83 C7 DT A 3 8.467 -6.370 -18.750 1.00 0.63 C ATOM 84 C6 DT A 3 7.094 -7.637 -17.107 1.00 0.45 C ATOM 0 H5' DT A 3 9.972 -9.891 -13.894 1.00 0.26 H new ATOM 0 H5'' DT A 3 9.607 -10.902 -15.278 1.00 0.26 H new ATOM 0 H4' DT A 3 7.826 -10.791 -13.788 1.00 0.29 H new ATOM 0 H3' DT A 3 7.784 -7.786 -14.030 1.00 0.24 H new ATOM 0 H2' DT A 3 5.316 -9.645 -13.414 1.00 0.38 H new ATOM 0 H2'' DT A 3 5.248 -7.913 -13.676 1.00 0.38 H new ATOM 0 H1' DT A 3 5.006 -9.480 -15.838 1.00 0.33 H new ATOM 0 H3 DT A 3 4.701 -4.967 -16.784 1.00 0.63 H new ATOM 0 H71 DT A 3 8.202 -5.719 -19.583 1.00 0.63 H new ATOM 0 H72 DT A 3 9.306 -5.938 -18.204 1.00 0.63 H new ATOM 0 H73 DT A 3 8.749 -7.351 -19.132 1.00 0.63 H new ATOM 0 H6 DT A 3 7.803 -8.446 -17.207 1.00 0.45 H new ATOM 97 P DT A 4 7.287 -7.702 -11.194 1.00 0.20 P ATOM 98 OP1 DT A 4 7.181 -6.385 -11.855 1.00 0.24 O ATOM 99 OP2 DT A 4 8.225 -7.931 -10.081 1.00 0.27 O ATOM 100 O5' DT A 4 5.755 -8.092 -10.773 1.00 0.25 O ATOM 101 C5' DT A 4 5.230 -9.295 -10.153 1.00 0.19 C ATOM 102 C4' DT A 4 5.726 -9.531 -8.729 1.00 0.14 C ATOM 103 O4' DT A 4 7.113 -9.956 -8.633 1.00 0.16 O ATOM 104 C3' DT A 4 5.590 -8.235 -7.834 1.00 0.16 C ATOM 105 O3' DT A 4 4.725 -8.351 -6.707 1.00 0.25 O ATOM 106 C2' DT A 4 7.065 -8.111 -7.384 1.00 0.19 C ATOM 107 C1' DT A 4 7.667 -9.501 -7.395 1.00 0.19 C ATOM 108 N1 DT A 4 9.161 -9.478 -7.389 1.00 0.19 N ATOM 109 C2 DT A 4 9.833 -8.993 -6.274 1.00 0.20 C ATOM 110 O2 DT A 4 9.253 -8.555 -5.285 1.00 0.27 O ATOM 111 N3 DT A 4 11.213 -8.999 -6.344 1.00 0.19 N ATOM 112 C4 DT A 4 11.975 -9.425 -7.390 1.00 0.18 C ATOM 113 O4 DT A 4 13.200 -9.381 -7.297 1.00 0.20 O ATOM 114 C5 DT A 4 11.212 -9.912 -8.521 1.00 0.22 C ATOM 115 C7 DT A 4 11.952 -10.386 -9.769 1.00 0.34 C ATOM 116 C6 DT A 4 9.875 -9.924 -8.479 1.00 0.22 C ATOM 0 H5' DT A 4 5.500 -10.154 -10.767 1.00 0.19 H new ATOM 0 H5'' DT A 4 4.141 -9.240 -10.142 1.00 0.19 H new ATOM 0 H4' DT A 4 5.084 -10.337 -8.373 1.00 0.14 H new ATOM 0 H3' DT A 4 5.146 -7.392 -8.363 1.00 0.16 H new ATOM 0 H2' DT A 4 7.615 -7.450 -8.054 1.00 0.19 H new ATOM 0 H2'' DT A 4 7.125 -7.676 -6.387 1.00 0.19 H new ATOM 0 H1' DT A 4 7.449 -10.125 -6.528 1.00 0.19 H new ATOM 0 H3 DT A 4 11.713 -8.648 -5.527 1.00 0.19 H new ATOM 0 H71 DT A 4 11.370 -11.163 -10.264 1.00 0.34 H new ATOM 0 H72 DT A 4 12.090 -9.547 -10.451 1.00 0.34 H new ATOM 0 H73 DT A 4 12.925 -10.787 -9.485 1.00 0.34 H new ATOM 0 H6 DT A 4 9.333 -10.299 -9.335 1.00 0.22 H new ATOM 129 P DG A 5 4.267 -7.039 -5.876 1.00 0.19 P ATOM 130 OP1 DG A 5 2.801 -6.993 -5.918 1.00 0.33 O ATOM 131 OP2 DG A 5 5.050 -5.884 -6.350 1.00 0.21 O ATOM 132 O5' DG A 5 4.735 -7.401 -4.378 1.00 0.26 O ATOM 133 C5' DG A 5 3.786 -7.591 -3.310 1.00 0.33 C ATOM 134 C4' DG A 5 3.799 -6.467 -2.238 1.00 0.29 C ATOM 135 O4' DG A 5 5.118 -6.504 -1.693 1.00 0.33 O ATOM 136 C3' DG A 5 3.544 -5.063 -2.726 1.00 0.21 C ATOM 137 O3' DG A 5 3.225 -4.144 -1.659 1.00 0.23 O ATOM 138 C2' DG A 5 4.937 -4.798 -3.141 1.00 0.18 C ATOM 139 C1' DG A 5 5.728 -5.254 -1.943 1.00 0.27 C ATOM 140 N9 DG A 5 7.177 -5.299 -2.104 1.00 0.38 N ATOM 141 C8 DG A 5 8.125 -5.309 -1.136 1.00 0.54 C ATOM 142 N7 DG A 5 9.342 -5.303 -1.590 1.00 0.61 N ATOM 143 C5 DG A 5 9.194 -5.287 -2.964 1.00 0.49 C ATOM 144 C6 DG A 5 10.157 -5.272 -4.010 1.00 0.51 C ATOM 145 O6 DG A 5 11.372 -5.263 -3.901 1.00 0.61 O ATOM 146 N1 DG A 5 9.590 -5.265 -5.254 1.00 0.38 N ATOM 147 C2 DG A 5 8.249 -5.271 -5.479 1.00 0.26 C ATOM 148 N2 DG A 5 7.890 -5.272 -6.730 1.00 0.24 N ATOM 149 N3 DG A 5 7.338 -5.278 -4.518 1.00 0.23 N ATOM 150 C4 DG A 5 7.879 -5.289 -3.283 1.00 0.35 C ATOM 0 H5' DG A 5 3.991 -8.544 -2.823 1.00 0.33 H new ATOM 0 H5'' DG A 5 2.785 -7.659 -3.736 1.00 0.33 H new ATOM 0 H4' DG A 5 2.981 -6.666 -1.545 1.00 0.29 H new ATOM 0 H3' DG A 5 2.728 -4.958 -3.441 1.00 0.21 H new ATOM 0 H2' DG A 5 5.205 -5.354 -4.039 1.00 0.18 H new ATOM 0 H2'' DG A 5 5.102 -3.743 -3.358 1.00 0.18 H new ATOM 0 H1' DG A 5 5.686 -4.553 -1.109 1.00 0.27 H new ATOM 0 H8 DG A 5 7.890 -5.321 -0.082 1.00 0.54 H new ATOM 0 H1 DG A 5 10.211 -5.255 -6.063 1.00 0.38 H new ATOM 0 H21 DG A 5 6.900 -5.276 -6.977 1.00 0.24 H new ATOM 0 H22 DG A 5 8.598 -5.268 -7.464 1.00 0.24 H new ATOM 162 P DG A 6 2.890 -2.562 -1.882 1.00 0.25 P ATOM 163 OP1 DG A 6 1.477 -2.497 -2.278 1.00 0.36 O ATOM 164 OP2 DG A 6 3.913 -1.900 -2.710 1.00 0.27 O ATOM 165 O5' DG A 6 3.017 -1.998 -0.393 1.00 0.27 O ATOM 166 C5' DG A 6 3.522 -0.691 -0.068 1.00 0.29 C ATOM 167 C4' DG A 6 5.017 -0.696 0.326 1.00 0.29 C ATOM 168 O4' DG A 6 5.851 -1.194 -0.721 1.00 0.27 O ATOM 169 C3' DG A 6 5.577 0.668 0.725 1.00 0.26 C ATOM 170 O3' DG A 6 6.202 0.598 1.999 1.00 0.28 O ATOM 171 C2' DG A 6 6.552 0.896 -0.395 1.00 0.27 C ATOM 172 C1' DG A 6 7.100 -0.468 -0.679 1.00 0.23 C ATOM 173 N9 DG A 6 7.862 -0.762 -1.912 1.00 0.20 N ATOM 174 C8 DG A 6 7.384 -0.961 -3.174 1.00 0.25 C ATOM 175 N7 DG A 6 8.290 -1.267 -4.046 1.00 0.29 N ATOM 176 C5 DG A 6 9.472 -1.274 -3.331 1.00 0.25 C ATOM 177 C6 DG A 6 10.800 -1.545 -3.753 1.00 0.27 C ATOM 178 O6 DG A 6 11.197 -1.850 -4.868 1.00 0.31 O ATOM 179 N1 DG A 6 11.697 -1.447 -2.716 1.00 0.22 N ATOM 180 C2 DG A 6 11.362 -1.126 -1.426 1.00 0.17 C ATOM 181 N2 DG A 6 12.331 -1.040 -0.541 1.00 0.18 N ATOM 182 N3 DG A 6 10.128 -0.873 -1.013 1.00 0.18 N ATOM 183 C4 DG A 6 9.226 -0.965 -2.020 1.00 0.19 C ATOM 0 H5' DG A 6 2.938 -0.277 0.754 1.00 0.29 H new ATOM 0 H5'' DG A 6 3.381 -0.031 -0.924 1.00 0.29 H new ATOM 0 H4' DG A 6 5.037 -1.352 1.196 1.00 0.29 H new ATOM 0 H3' DG A 6 4.846 1.468 0.836 1.00 0.26 H new ATOM 0 H2' DG A 6 6.062 1.320 -1.271 1.00 0.27 H new ATOM 0 H2'' DG A 6 7.340 1.590 -0.104 1.00 0.27 H new ATOM 0 H1' DG A 6 7.876 -0.696 0.052 1.00 0.23 H new ATOM 0 H8 DG A 6 6.337 -0.871 -3.424 1.00 0.25 H new ATOM 0 H1 DG A 6 12.680 -1.626 -2.921 1.00 0.22 H new ATOM 0 H21 DG A 6 12.117 -0.803 0.428 1.00 0.18 H new ATOM 0 H22 DG A 6 13.296 -1.210 -0.823 1.00 0.18 H new ATOM 195 P DT A 7 5.400 0.239 3.326 1.00 0.35 P ATOM 196 OP1 DT A 7 4.770 -1.069 3.099 1.00 0.42 O ATOM 197 OP2 DT A 7 4.572 1.393 3.679 1.00 0.51 O ATOM 198 O5' DT A 7 6.515 0.106 4.482 1.00 0.33 O ATOM 199 C5' DT A 7 7.253 -1.086 4.750 1.00 0.31 C ATOM 200 C4' DT A 7 8.628 -1.104 4.107 1.00 0.23 C ATOM 201 O4' DT A 7 9.407 -2.288 4.455 1.00 0.24 O ATOM 202 C3' DT A 7 8.582 -1.064 2.574 1.00 0.18 C ATOM 203 O3' DT A 7 8.962 0.189 1.991 1.00 0.20 O ATOM 204 C2' DT A 7 9.511 -2.223 2.259 1.00 0.18 C ATOM 205 C1' DT A 7 10.450 -2.358 3.449 1.00 0.18 C ATOM 206 N1 DT A 7 11.301 -3.567 3.434 1.00 0.15 N ATOM 207 C2 DT A 7 12.143 -3.756 2.348 1.00 0.14 C ATOM 208 O2 DT A 7 12.222 -2.975 1.415 1.00 0.23 O ATOM 209 N3 DT A 7 12.912 -4.896 2.346 1.00 0.15 N ATOM 210 C4 DT A 7 12.924 -5.862 3.313 1.00 0.22 C ATOM 211 O4 DT A 7 13.637 -6.843 3.178 1.00 0.27 O ATOM 212 C5 DT A 7 12.023 -5.593 4.416 1.00 0.29 C ATOM 213 C7 DT A 7 11.901 -6.568 5.576 1.00 0.45 C ATOM 214 C6 DT A 7 11.257 -4.475 4.438 1.00 0.25 C ATOM 0 H5' DT A 7 6.683 -1.944 4.395 1.00 0.31 H new ATOM 0 H5'' DT A 7 7.363 -1.201 5.828 1.00 0.31 H new ATOM 0 H4' DT A 7 9.097 -0.202 4.500 1.00 0.23 H new ATOM 0 H3' DT A 7 7.582 -1.158 2.150 1.00 0.18 H new ATOM 0 H2' DT A 7 8.946 -3.142 2.104 1.00 0.18 H new ATOM 0 H2'' DT A 7 10.070 -2.034 1.343 1.00 0.18 H new ATOM 0 H1' DT A 7 11.258 -1.634 3.554 1.00 0.18 H new ATOM 0 H3 DT A 7 13.532 -5.034 1.548 1.00 0.15 H new ATOM 0 H71 DT A 7 12.097 -7.580 5.223 1.00 0.45 H new ATOM 0 H72 DT A 7 12.625 -6.307 6.348 1.00 0.45 H new ATOM 0 H73 DT A 7 10.894 -6.517 5.990 1.00 0.45 H new ATOM 0 H6 DT A 7 10.596 -4.304 5.275 1.00 0.25 H new ATOM 227 P DG A 8 10.337 0.969 2.269 1.00 0.20 P ATOM 228 OP1 DG A 8 11.431 0.322 1.510 1.00 0.22 O ATOM 229 OP2 DG A 8 10.448 1.126 3.729 1.00 0.28 O ATOM 230 O5' DG A 8 10.015 2.429 1.663 1.00 0.26 O ATOM 231 C5' DG A 8 10.948 3.326 1.027 1.00 0.29 C ATOM 232 C4' DG A 8 11.713 2.686 -0.132 1.00 0.25 C ATOM 233 O4' DG A 8 10.771 2.052 -1.017 1.00 0.31 O ATOM 234 C3' DG A 8 12.576 3.631 -0.990 1.00 0.25 C ATOM 235 O3' DG A 8 12.919 4.893 -0.395 1.00 0.34 O ATOM 236 C2' DG A 8 11.603 3.855 -2.102 1.00 0.24 C ATOM 237 C1' DG A 8 11.025 2.484 -2.362 1.00 0.23 C ATOM 238 N9 DG A 8 9.786 2.339 -3.113 1.00 0.24 N ATOM 239 C8 DG A 8 8.521 2.702 -2.731 1.00 0.32 C ATOM 240 N7 DG A 8 7.611 2.434 -3.625 1.00 0.35 N ATOM 241 C5 DG A 8 8.314 1.848 -4.679 1.00 0.30 C ATOM 242 C6 DG A 8 7.874 1.346 -5.929 1.00 0.33 C ATOM 243 O6 DG A 8 6.752 1.295 -6.385 1.00 0.42 O ATOM 244 N1 DG A 8 8.909 0.854 -6.666 1.00 0.34 N ATOM 245 C2 DG A 8 10.226 0.841 -6.251 1.00 0.29 C ATOM 246 N2 DG A 8 11.055 0.305 -7.139 1.00 0.30 N ATOM 247 N3 DG A 8 10.685 1.303 -5.086 1.00 0.25 N ATOM 248 C4 DG A 8 9.650 1.791 -4.359 1.00 0.25 C ATOM 0 H5' DG A 8 11.661 3.683 1.770 1.00 0.29 H new ATOM 0 H5'' DG A 8 10.408 4.198 0.658 1.00 0.29 H new ATOM 0 H4' DG A 8 12.406 1.997 0.350 1.00 0.25 H new ATOM 0 H3' DG A 8 13.556 3.213 -1.219 1.00 0.25 H new ATOM 0 H2' DG A 8 10.829 4.567 -1.818 1.00 0.24 H new ATOM 0 H2'' DG A 8 12.095 4.256 -2.988 1.00 0.24 H new ATOM 0 H1' DG A 8 11.719 1.938 -3.001 1.00 0.23 H new ATOM 0 H8 DG A 8 8.299 3.165 -1.781 1.00 0.32 H new ATOM 0 H1 DG A 8 8.697 0.469 -7.586 1.00 0.34 H new ATOM 0 H21 DG A 8 12.052 0.245 -6.934 1.00 0.30 H new ATOM 0 H22 DG A 8 10.694 -0.047 -8.026 1.00 0.30 H new ATOM 260 P DT A 9 14.097 5.049 0.685 1.00 0.42 P ATOM 261 OP1 DT A 9 13.664 4.452 1.951 1.00 0.48 O ATOM 262 OP2 DT A 9 14.519 6.437 0.683 1.00 0.62 O ATOM 263 O5' DT A 9 15.315 4.186 0.094 1.00 0.40 O ATOM 264 C5' DT A 9 15.973 3.147 0.805 1.00 0.34 C ATOM 265 C4' DT A 9 16.755 2.234 -0.129 1.00 0.28 C ATOM 266 O4' DT A 9 15.860 1.509 -1.015 1.00 0.27 O ATOM 267 C3' DT A 9 17.759 2.962 -0.985 1.00 0.24 C ATOM 268 O3' DT A 9 18.987 2.248 -0.940 1.00 0.27 O ATOM 269 C2' DT A 9 17.026 2.860 -2.294 1.00 0.23 C ATOM 270 C1' DT A 9 16.502 1.443 -2.276 1.00 0.26 C ATOM 271 N1 DT A 9 15.724 1.082 -3.492 1.00 0.23 N ATOM 272 C2 DT A 9 14.343 1.092 -3.437 1.00 0.23 C ATOM 273 O2 DT A 9 13.697 1.356 -2.442 1.00 0.26 O ATOM 274 N3 DT A 9 13.684 0.739 -4.609 1.00 0.28 N ATOM 275 C4 DT A 9 14.272 0.378 -5.797 1.00 0.31 C ATOM 276 O4 DT A 9 13.547 0.097 -6.734 1.00 0.38 O ATOM 277 C5 DT A 9 15.693 0.389 -5.772 1.00 0.29 C ATOM 278 C7 DT A 9 16.492 -0.014 -7.010 1.00 0.31 C ATOM 279 C6 DT A 9 16.378 0.730 -4.667 1.00 0.27 C ATOM 0 H5' DT A 9 15.238 2.561 1.356 1.00 0.34 H new ATOM 0 H5'' DT A 9 16.650 3.581 1.541 1.00 0.34 H new ATOM 0 H4' DT A 9 17.295 1.553 0.529 1.00 0.28 H new ATOM 0 H3' DT A 9 18.040 3.982 -0.723 1.00 0.24 H new ATOM 0 H2' DT A 9 16.218 3.589 -2.363 1.00 0.23 H new ATOM 0 H2'' DT A 9 17.687 3.036 -3.142 1.00 0.23 H new ATOM 0 H1' DT A 9 17.206 0.613 -2.344 1.00 0.26 H new ATOM 0 H3 DT A 9 12.664 0.749 -4.585 1.00 0.28 H new ATOM 0 H71 DT A 9 15.925 -0.744 -7.587 1.00 0.31 H new ATOM 0 H72 DT A 9 16.680 0.867 -7.624 1.00 0.31 H new ATOM 0 H73 DT A 9 17.442 -0.452 -6.703 1.00 0.31 H new ATOM 0 H6 DT A 9 17.458 0.731 -4.693 1.00 0.27 H new ATOM 292 P DG A 10 19.902 1.880 -2.202 1.00 0.30 P ATOM 293 OP1 DG A 10 20.331 3.125 -2.878 1.00 0.35 O ATOM 294 OP2 DG A 10 19.256 0.824 -3.003 1.00 0.32 O ATOM 295 O5' DG A 10 21.205 1.217 -1.534 1.00 0.39 O ATOM 296 C5' DG A 10 21.357 -0.135 -1.106 1.00 0.36 C ATOM 297 C4' DG A 10 20.749 -0.471 0.254 1.00 0.26 C ATOM 298 O4' DG A 10 19.330 -0.236 0.208 1.00 0.27 O ATOM 299 C3' DG A 10 20.921 -1.961 0.611 1.00 0.22 C ATOM 300 O3' DG A 10 21.293 -2.306 1.930 1.00 0.20 O ATOM 301 C2' DG A 10 19.535 -2.416 0.240 1.00 0.24 C ATOM 302 C1' DG A 10 18.574 -1.342 0.642 1.00 0.19 C ATOM 303 N9 DG A 10 17.265 -1.456 -0.039 1.00 0.20 N ATOM 304 C8 DG A 10 15.998 -1.352 0.440 1.00 0.26 C ATOM 305 N7 DG A 10 15.064 -1.544 -0.472 1.00 0.26 N ATOM 306 C5 DG A 10 15.767 -1.784 -1.634 1.00 0.22 C ATOM 307 C6 DG A 10 15.329 -2.060 -2.943 1.00 0.23 C ATOM 308 O6 DG A 10 14.190 -2.112 -3.366 1.00 0.26 O ATOM 309 N1 DG A 10 16.383 -2.249 -3.820 1.00 0.25 N ATOM 310 C2 DG A 10 17.711 -2.172 -3.466 1.00 0.23 C ATOM 311 N2 DG A 10 18.619 -2.351 -4.384 1.00 0.27 N ATOM 312 N3 DG A 10 18.135 -1.919 -2.237 1.00 0.20 N ATOM 313 C4 DG A 10 17.107 -1.733 -1.375 1.00 0.19 C ATOM 0 H5' DG A 10 22.421 -0.370 -1.076 1.00 0.36 H new ATOM 0 H5'' DG A 10 20.908 -0.787 -1.855 1.00 0.36 H new ATOM 0 H4' DG A 10 21.257 0.151 0.991 1.00 0.26 H new ATOM 0 H3' DG A 10 21.770 -2.425 0.108 1.00 0.22 H new ATOM 0 H2' DG A 10 19.470 -2.605 -0.832 1.00 0.24 H new ATOM 0 H2'' DG A 10 19.293 -3.352 0.744 1.00 0.24 H new ATOM 0 H1' DG A 10 18.276 -1.332 1.690 1.00 0.19 H new ATOM 0 H8 DG A 10 15.775 -1.132 1.474 1.00 0.26 H new ATOM 0 H1 DG A 10 16.161 -2.459 -4.793 1.00 0.25 H new ATOM 0 H21 DG A 10 19.608 -2.298 -4.140 1.00 0.27 H new ATOM 0 H22 DG A 10 18.340 -2.544 -5.346 1.00 0.27 H new ATOM 325 P DG A 11 21.293 -3.884 2.404 1.00 0.18 P ATOM 326 OP1 DG A 11 22.027 -3.995 3.692 1.00 0.21 O ATOM 327 OP2 DG A 11 21.692 -4.714 1.254 1.00 0.21 O ATOM 328 O5' DG A 11 19.761 -4.175 2.713 1.00 0.21 O ATOM 329 C5' DG A 11 18.947 -3.482 3.683 1.00 0.23 C ATOM 330 C4' DG A 11 17.483 -3.943 3.624 1.00 0.19 C ATOM 331 O4' DG A 11 16.977 -3.748 2.281 1.00 0.15 O ATOM 332 C3' DG A 11 17.407 -5.444 3.971 1.00 0.18 C ATOM 333 O3' DG A 11 16.188 -5.892 4.538 1.00 0.15 O ATOM 334 C2' DG A 11 17.443 -5.947 2.515 1.00 0.19 C ATOM 335 C1' DG A 11 16.509 -5.000 1.795 1.00 0.14 C ATOM 336 N9 DG A 11 16.465 -5.058 0.329 1.00 0.15 N ATOM 337 C8 DG A 11 17.469 -5.093 -0.607 1.00 0.22 C ATOM 338 N7 DG A 11 17.050 -5.119 -1.834 1.00 0.20 N ATOM 339 C5 DG A 11 15.681 -5.095 -1.723 1.00 0.16 C ATOM 340 C6 DG A 11 14.710 -5.102 -2.737 1.00 0.22 C ATOM 341 O6 DG A 11 14.889 -5.165 -3.947 1.00 0.22 O ATOM 342 N1 DG A 11 13.445 -5.067 -2.218 1.00 0.32 N ATOM 343 C2 DG A 11 13.148 -5.028 -0.885 1.00 0.36 C ATOM 344 N2 DG A 11 11.888 -4.990 -0.531 1.00 0.49 N ATOM 345 N3 DG A 11 14.056 -5.028 0.086 1.00 0.29 N ATOM 346 C4 DG A 11 15.310 -5.056 -0.406 1.00 0.18 C ATOM 0 H5' DG A 11 18.999 -2.408 3.502 1.00 0.23 H new ATOM 0 H5'' DG A 11 19.344 -3.656 4.683 1.00 0.23 H new ATOM 0 H4' DG A 11 16.890 -3.367 4.334 1.00 0.19 H new ATOM 0 H3' DG A 11 18.154 -5.757 4.701 1.00 0.18 H new ATOM 0 H2' DG A 11 18.451 -5.909 2.102 1.00 0.19 H new ATOM 0 H2'' DG A 11 17.105 -6.981 2.438 1.00 0.19 H new ATOM 0 H1' DG A 11 15.467 -5.244 2.001 1.00 0.14 H new ATOM 0 H8 DG A 11 18.517 -5.098 -0.344 1.00 0.22 H new ATOM 0 H1 DG A 11 12.665 -5.070 -2.875 1.00 0.32 H new ATOM 0 H21 DG A 11 11.637 -4.960 0.457 1.00 0.49 H new ATOM 0 H22 DG A 11 11.158 -4.990 -1.243 1.00 0.49 H new ATOM 358 P DT A 12 16.158 -7.090 5.600 1.00 0.17 P ATOM 359 OP1 DT A 12 14.858 -7.787 5.521 1.00 0.28 O ATOM 360 OP2 DT A 12 16.619 -6.538 6.885 1.00 0.27 O ATOM 361 O5' DT A 12 17.301 -8.089 5.047 1.00 0.14 O ATOM 362 C5' DT A 12 17.046 -9.191 4.186 1.00 0.23 C ATOM 363 C4' DT A 12 18.311 -9.779 3.575 1.00 0.23 C ATOM 364 O4' DT A 12 19.326 -9.984 4.560 1.00 0.31 O ATOM 365 C3' DT A 12 18.981 -8.838 2.568 1.00 0.20 C ATOM 366 O3' DT A 12 18.388 -9.012 1.260 1.00 0.25 O ATOM 367 C2' DT A 12 20.485 -9.258 2.641 1.00 0.27 C ATOM 368 C1' DT A 12 20.512 -9.255 4.189 1.00 0.27 C ATOM 369 N1 DT A 12 20.643 -7.968 4.895 1.00 0.25 N ATOM 370 C2 DT A 12 21.377 -6.947 4.337 1.00 0.26 C ATOM 371 O2 DT A 12 21.958 -7.016 3.270 1.00 0.30 O ATOM 372 N3 DT A 12 21.432 -5.774 5.064 1.00 0.29 N ATOM 373 C4 DT A 12 20.833 -5.539 6.272 1.00 0.33 C ATOM 374 O4 DT A 12 20.988 -4.467 6.828 1.00 0.40 O ATOM 375 C5 DT A 12 20.079 -6.638 6.797 1.00 0.35 C ATOM 376 C7 DT A 12 19.358 -6.449 8.122 1.00 0.44 C ATOM 377 C6 DT A 12 20.012 -7.801 6.105 1.00 0.32 C ATOM 0 H5' DT A 12 16.378 -8.872 3.386 1.00 0.23 H new ATOM 0 H5'' DT A 12 16.525 -9.968 4.745 1.00 0.23 H new ATOM 0 H4' DT A 12 17.969 -10.703 3.108 1.00 0.23 H new ATOM 0 H3' DT A 12 18.859 -7.776 2.780 1.00 0.20 H new ATOM 0 H2' DT A 12 20.696 -10.230 2.195 1.00 0.27 H new ATOM 0 H2'' DT A 12 21.168 -8.542 2.184 1.00 0.27 H new ATOM 0 H1' DT A 12 21.447 -9.709 4.516 1.00 0.27 H new ATOM 0 H3 DT A 12 21.972 -5.008 4.661 1.00 0.29 H new ATOM 0 H71 DT A 12 18.464 -7.072 8.142 1.00 0.44 H new ATOM 0 H72 DT A 12 20.019 -6.736 8.940 1.00 0.44 H new ATOM 0 H73 DT A 12 19.074 -5.403 8.235 1.00 0.44 H new ATOM 0 H6 DT A 12 19.445 -8.623 6.517 1.00 0.32 H new ATOM 390 P DT A 13 18.907 -8.171 -0.064 1.00 0.26 P ATOM 391 OP1 DT A 13 19.399 -6.884 0.454 1.00 0.26 O ATOM 392 OP2 DT A 13 17.813 -8.165 -1.044 1.00 0.37 O ATOM 393 O5' DT A 13 20.159 -8.957 -0.618 1.00 0.31 O ATOM 394 C5' DT A 13 20.255 -10.381 -0.717 1.00 0.33 C ATOM 395 C4' DT A 13 19.664 -11.005 -1.986 1.00 0.23 C ATOM 396 O4' DT A 13 18.239 -10.829 -2.131 1.00 0.30 O ATOM 397 C3' DT A 13 20.353 -10.447 -3.245 1.00 0.23 C ATOM 398 O3' DT A 13 20.753 -11.546 -4.070 1.00 0.22 O ATOM 399 C2' DT A 13 19.183 -9.673 -3.773 1.00 0.21 C ATOM 400 C1' DT A 13 17.963 -10.559 -3.484 1.00 0.19 C ATOM 401 N1 DT A 13 16.617 -9.973 -3.684 1.00 0.17 N ATOM 402 C2 DT A 13 16.094 -9.971 -4.973 1.00 0.17 C ATOM 403 O2 DT A 13 16.705 -10.441 -5.921 1.00 0.21 O ATOM 404 N3 DT A 13 14.847 -9.436 -5.103 1.00 0.18 N ATOM 405 C4 DT A 13 14.080 -8.909 -4.085 1.00 0.18 C ATOM 406 O4 DT A 13 12.972 -8.441 -4.345 1.00 0.22 O ATOM 407 C5 DT A 13 14.680 -8.947 -2.789 1.00 0.18 C ATOM 408 C7 DT A 13 13.902 -8.397 -1.595 1.00 0.25 C ATOM 409 C6 DT A 13 15.896 -9.460 -2.623 1.00 0.17 C ATOM 0 H5' DT A 13 19.756 -10.820 0.147 1.00 0.33 H new ATOM 0 H5'' DT A 13 21.307 -10.660 -0.654 1.00 0.33 H new ATOM 0 H4' DT A 13 19.849 -12.074 -1.878 1.00 0.23 H new ATOM 0 H3' DT A 13 21.264 -9.858 -3.138 1.00 0.23 H new ATOM 0 H2' DT A 13 19.094 -8.705 -3.280 1.00 0.21 H new ATOM 0 H2'' DT A 13 19.287 -9.479 -4.841 1.00 0.21 H new ATOM 0 H1' DT A 13 17.874 -11.400 -4.172 1.00 0.19 H new ATOM 0 H3 DT A 13 14.444 -9.424 -6.040 1.00 0.18 H new ATOM 0 H71 DT A 13 13.242 -7.597 -1.929 1.00 0.25 H new ATOM 0 H72 DT A 13 13.308 -9.195 -1.149 1.00 0.25 H new ATOM 0 H73 DT A 13 14.600 -8.007 -0.855 1.00 0.25 H new ATOM 0 H6 DT A 13 16.330 -9.476 -1.634 1.00 0.17 H new ATOM 422 P DG A 14 22.086 -11.657 -4.958 1.00 0.20 P ATOM 423 OP1 DG A 14 22.454 -13.065 -4.878 1.00 0.34 O ATOM 424 OP2 DG A 14 23.038 -10.630 -4.531 1.00 0.33 O ATOM 425 O5' DG A 14 21.553 -11.346 -6.428 1.00 0.38 O ATOM 426 C5' DG A 14 22.375 -11.309 -7.611 1.00 0.33 C ATOM 427 C4' DG A 14 22.305 -9.956 -8.347 1.00 0.27 C ATOM 428 O4' DG A 14 20.939 -9.640 -8.735 1.00 0.24 O ATOM 429 C3' DG A 14 22.803 -8.765 -7.494 1.00 0.27 C ATOM 430 O3' DG A 14 23.201 -7.700 -8.375 1.00 0.26 O ATOM 431 C2' DG A 14 21.442 -8.449 -6.886 1.00 0.23 C ATOM 432 C1' DG A 14 20.564 -8.405 -8.119 1.00 0.22 C ATOM 433 N9 DG A 14 19.132 -8.226 -7.894 1.00 0.20 N ATOM 434 C8 DG A 14 18.098 -8.633 -8.683 1.00 0.25 C ATOM 435 N7 DG A 14 16.927 -8.297 -8.224 1.00 0.22 N ATOM 436 C5 DG A 14 17.218 -7.623 -7.045 1.00 0.16 C ATOM 437 C6 DG A 14 16.343 -7.029 -6.114 1.00 0.16 C ATOM 438 O6 DG A 14 15.116 -6.996 -6.158 1.00 0.17 O ATOM 439 N1 DG A 14 17.023 -6.448 -5.060 1.00 0.19 N ATOM 440 C2 DG A 14 18.379 -6.452 -4.926 1.00 0.20 C ATOM 441 N2 DG A 14 18.880 -5.878 -3.828 1.00 0.26 N ATOM 442 N3 DG A 14 19.218 -7.004 -5.788 1.00 0.17 N ATOM 443 C4 DG A 14 18.568 -7.575 -6.830 1.00 0.15 C ATOM 0 H5' DG A 14 22.063 -12.103 -8.290 1.00 0.33 H new ATOM 0 H5'' DG A 14 23.409 -11.514 -7.335 1.00 0.33 H new ATOM 0 H4' DG A 14 22.955 -10.080 -9.213 1.00 0.27 H new ATOM 0 H3' DG A 14 23.639 -8.924 -6.813 1.00 0.27 H new ATOM 0 H2' DG A 14 21.120 -9.215 -6.180 1.00 0.23 H new ATOM 0 H2'' DG A 14 21.443 -7.501 -6.349 1.00 0.23 H new ATOM 0 H1' DG A 14 20.723 -7.521 -8.736 1.00 0.22 H new ATOM 0 H8 DG A 14 18.237 -9.182 -9.602 1.00 0.25 H new ATOM 0 H1 DG A 14 16.474 -5.986 -4.335 1.00 0.19 H new ATOM 0 H21 DG A 14 19.889 -5.854 -3.680 1.00 0.26 H new ATOM 0 H22 DG A 14 18.253 -5.463 -3.138 1.00 0.26 H new ATOM 455 P DG A 15 23.847 -6.287 -7.928 1.00 0.31 P ATOM 456 OP1 DG A 15 25.145 -6.610 -7.314 1.00 0.35 O ATOM 457 OP2 DG A 15 22.859 -5.534 -7.146 1.00 0.33 O ATOM 458 O5' DG A 15 24.117 -5.568 -9.364 1.00 0.35 O ATOM 459 C5' DG A 15 23.172 -5.015 -10.291 1.00 0.33 C ATOM 460 C4' DG A 15 21.961 -5.899 -10.555 1.00 0.34 C ATOM 461 O4' DG A 15 21.114 -5.848 -9.378 1.00 0.28 O ATOM 462 C3' DG A 15 21.029 -5.430 -11.705 1.00 0.43 C ATOM 463 O3' DG A 15 20.270 -6.555 -12.164 1.00 0.49 O ATOM 464 C2' DG A 15 20.148 -4.510 -10.932 1.00 0.39 C ATOM 465 C1' DG A 15 19.775 -5.451 -9.705 1.00 0.31 C ATOM 466 N9 DG A 15 19.046 -4.763 -8.615 1.00 0.23 N ATOM 467 C8 DG A 15 19.518 -4.280 -7.404 1.00 0.26 C ATOM 468 N7 DG A 15 18.605 -3.757 -6.672 1.00 0.25 N ATOM 469 C5 DG A 15 17.453 -3.886 -7.423 1.00 0.20 C ATOM 470 C6 DG A 15 16.141 -3.471 -7.098 1.00 0.22 C ATOM 471 O6 DG A 15 15.781 -2.889 -6.071 1.00 0.28 O ATOM 472 N1 DG A 15 15.249 -3.770 -8.110 1.00 0.18 N ATOM 473 C2 DG A 15 15.592 -4.389 -9.282 1.00 0.17 C ATOM 474 N2 DG A 15 14.641 -4.591 -10.181 1.00 0.22 N ATOM 475 N3 DG A 15 16.823 -4.782 -9.587 1.00 0.18 N ATOM 476 C4 DG A 15 17.706 -4.499 -8.614 1.00 0.18 C ATOM 0 H5' DG A 15 23.679 -4.822 -11.236 1.00 0.33 H new ATOM 0 H5'' DG A 15 22.829 -4.053 -9.911 1.00 0.33 H new ATOM 0 H4' DG A 15 22.374 -6.874 -10.814 1.00 0.34 H new ATOM 0 H3' DG A 15 21.513 -4.993 -12.578 1.00 0.43 H new ATOM 0 H2' DG A 15 20.665 -3.603 -10.619 1.00 0.39 H new ATOM 0 H2'' DG A 15 19.271 -4.198 -11.499 1.00 0.39 H new ATOM 0 HO3' DG A 15 19.675 -6.274 -12.890 1.00 0.49 H new ATOM 0 H1' DG A 15 19.073 -6.261 -9.905 1.00 0.31 H new ATOM 0 H8 DG A 15 20.555 -4.339 -7.106 1.00 0.26 H new ATOM 0 H1 DG A 15 14.271 -3.513 -7.975 1.00 0.18 H new ATOM 0 H21 DG A 15 14.864 -5.050 -11.065 1.00 0.22 H new ATOM 0 H22 DG A 15 13.686 -4.288 -9.990 1.00 0.22 H new TER 489 DG A 15