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 85:sc= 0.518 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.0321 (180deg=-0.0769) 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=-1.09) USER MOD Single : A 9 DT C7 :methyl -30:sc= -1.1 (180deg=-3.82!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.69 (180deg=-0.69) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.968 (180deg=-2.86) USER MOD Single : A 15 DG O3' : rot 180:sc= -0.0109 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.438 -2.087 -9.640 1.00 0.32 O ATOM 2 C5' DG A 1 5.971 -1.041 -10.463 1.00 0.29 C ATOM 3 C4' DG A 1 6.747 -0.949 -11.778 1.00 0.22 C ATOM 4 O4' DG A 1 8.120 -0.726 -11.381 1.00 0.22 O ATOM 5 C3' DG A 1 6.783 -2.176 -12.697 1.00 0.25 C ATOM 6 O3' DG A 1 7.103 -1.845 -14.058 1.00 0.25 O ATOM 7 C2' DG A 1 7.952 -2.865 -12.062 1.00 0.24 C ATOM 8 C1' DG A 1 8.960 -1.765 -11.921 1.00 0.19 C ATOM 9 N9 DG A 1 10.127 -2.055 -11.085 1.00 0.15 N ATOM 10 C8 DG A 1 11.408 -2.376 -11.479 1.00 0.17 C ATOM 11 N7 DG A 1 12.218 -2.642 -10.496 1.00 0.16 N ATOM 12 C5 DG A 1 11.435 -2.494 -9.354 1.00 0.13 C ATOM 13 C6 DG A 1 11.761 -2.658 -7.971 1.00 0.15 C ATOM 14 O6 DG A 1 12.817 -3.015 -7.473 1.00 0.21 O ATOM 15 N1 DG A 1 10.676 -2.404 -7.155 1.00 0.16 N ATOM 16 C2 DG A 1 9.434 -2.046 -7.591 1.00 0.13 C ATOM 17 N2 DG A 1 8.509 -1.849 -6.687 1.00 0.18 N ATOM 18 N3 DG A 1 9.114 -1.896 -8.870 1.00 0.13 N ATOM 19 C4 DG A 1 10.156 -2.130 -9.704 1.00 0.13 C ATOM 0 H5' DG A 1 6.054 -0.095 -9.927 1.00 0.29 H new ATOM 0 H5'' DG A 1 4.913 -1.194 -10.677 1.00 0.29 H new ATOM 0 H4' DG A 1 6.240 -0.180 -12.361 1.00 0.22 H new ATOM 0 H3' DG A 1 5.843 -2.723 -12.770 1.00 0.25 H new ATOM 0 H2' DG A 1 7.689 -3.297 -11.096 1.00 0.24 H new ATOM 0 H2'' DG A 1 8.327 -3.678 -12.684 1.00 0.24 H new ATOM 0 HO5' DG A 1 7.205 -1.774 -9.116 1.00 0.32 H new ATOM 0 H1' DG A 1 9.465 -1.533 -12.859 1.00 0.19 H new ATOM 0 H8 DG A 1 11.713 -2.404 -12.515 1.00 0.17 H new ATOM 0 H1 DG A 1 10.814 -2.491 -6.148 1.00 0.16 H new ATOM 0 H21 DG A 1 7.567 -1.580 -6.971 1.00 0.18 H new ATOM 0 H22 DG A 1 8.730 -1.964 -5.698 1.00 0.18 H new ATOM 32 P DG A 2 6.886 -2.909 -15.273 1.00 0.27 P ATOM 33 OP1 DG A 2 7.312 -2.264 -16.523 1.00 0.33 O ATOM 34 OP2 DG A 2 5.557 -3.556 -15.204 1.00 0.32 O ATOM 35 O5' DG A 2 8.005 -4.029 -14.921 1.00 0.26 O ATOM 36 C5' DG A 2 9.403 -3.836 -15.195 1.00 0.23 C ATOM 37 C4' DG A 2 10.327 -4.762 -14.401 1.00 0.20 C ATOM 38 O4' DG A 2 10.397 -4.514 -12.976 1.00 0.21 O ATOM 39 C3' DG A 2 10.002 -6.246 -14.581 1.00 0.18 C ATOM 40 O3' DG A 2 11.165 -6.961 -14.969 1.00 0.26 O ATOM 41 C2' DG A 2 9.717 -6.587 -13.135 1.00 0.18 C ATOM 42 C1' DG A 2 10.708 -5.748 -12.344 1.00 0.16 C ATOM 43 N9 DG A 2 10.604 -5.710 -10.856 1.00 0.14 N ATOM 44 C8 DG A 2 9.647 -5.251 -10.028 1.00 0.14 C ATOM 45 N7 DG A 2 9.917 -5.369 -8.767 1.00 0.12 N ATOM 46 C5 DG A 2 11.168 -5.951 -8.733 1.00 0.14 C ATOM 47 C6 DG A 2 12.000 -6.334 -7.652 1.00 0.17 C ATOM 48 O6 DG A 2 11.837 -6.220 -6.454 1.00 0.21 O ATOM 49 N1 DG A 2 13.202 -6.905 -8.090 1.00 0.19 N ATOM 50 C2 DG A 2 13.548 -7.082 -9.401 1.00 0.17 C ATOM 51 N2 DG A 2 14.691 -7.642 -9.694 1.00 0.22 N ATOM 52 N3 DG A 2 12.784 -6.735 -10.429 1.00 0.14 N ATOM 53 C4 DG A 2 11.601 -6.171 -10.018 1.00 0.12 C ATOM 0 H5' DG A 2 9.666 -2.801 -14.975 1.00 0.23 H new ATOM 0 H5'' DG A 2 9.579 -3.990 -16.260 1.00 0.23 H new ATOM 0 H4' DG A 2 11.295 -4.518 -14.839 1.00 0.20 H new ATOM 0 H3' DG A 2 9.228 -6.467 -15.316 1.00 0.18 H new ATOM 0 H2' DG A 2 8.689 -6.346 -12.866 1.00 0.18 H new ATOM 0 H2'' DG A 2 9.856 -7.651 -12.943 1.00 0.18 H new ATOM 0 H1' DG A 2 11.732 -6.120 -12.379 1.00 0.16 H new ATOM 0 H8 DG A 2 8.725 -4.818 -10.388 1.00 0.14 H new ATOM 0 H1 DG A 2 13.867 -7.211 -7.380 1.00 0.19 H new ATOM 0 H21 DG A 2 14.957 -7.778 -10.669 1.00 0.22 H new ATOM 0 H22 DG A 2 15.317 -7.943 -8.948 1.00 0.22 H new ATOM 65 P DT A 3 11.071 -8.225 -15.918 1.00 0.24 P ATOM 66 OP1 DT A 3 12.098 -9.186 -15.476 1.00 0.32 O ATOM 67 OP2 DT A 3 11.083 -7.689 -17.281 1.00 0.36 O ATOM 68 O5' DT A 3 9.600 -8.817 -15.615 1.00 0.22 O ATOM 69 C5' DT A 3 9.376 -9.895 -14.703 1.00 0.23 C ATOM 70 C4' DT A 3 7.894 -10.036 -14.369 1.00 0.21 C ATOM 71 O4' DT A 3 7.063 -10.054 -15.528 1.00 0.24 O ATOM 72 C3' DT A 3 7.361 -8.827 -13.633 1.00 0.25 C ATOM 73 O3' DT A 3 7.694 -8.876 -12.235 1.00 0.25 O ATOM 74 C2' DT A 3 5.820 -8.930 -13.861 1.00 0.27 C ATOM 75 C1' DT A 3 5.967 -9.134 -15.373 1.00 0.27 C ATOM 76 N1 DT A 3 6.205 -7.899 -16.168 1.00 0.25 N ATOM 77 C2 DT A 3 5.488 -6.752 -15.850 1.00 0.32 C ATOM 78 O2 DT A 3 4.659 -6.681 -14.958 1.00 0.42 O ATOM 79 N3 DT A 3 5.760 -5.653 -16.608 1.00 0.36 N ATOM 80 C4 DT A 3 6.652 -5.580 -17.643 1.00 0.36 C ATOM 81 O4 DT A 3 6.798 -4.543 -18.272 1.00 0.44 O ATOM 82 C5 DT A 3 7.349 -6.799 -17.912 1.00 0.34 C ATOM 83 C7 DT A 3 8.360 -6.769 -19.049 1.00 0.50 C ATOM 84 C6 DT A 3 7.119 -7.900 -17.192 1.00 0.27 C ATOM 0 H5' DT A 3 9.943 -9.724 -13.788 1.00 0.23 H new ATOM 0 H5'' DT A 3 9.744 -10.825 -15.137 1.00 0.23 H new ATOM 0 H4' DT A 3 7.856 -10.962 -13.795 1.00 0.21 H new ATOM 0 H3' DT A 3 7.782 -7.887 -13.988 1.00 0.25 H new ATOM 0 H2' DT A 3 5.349 -9.765 -13.343 1.00 0.27 H new ATOM 0 H2'' DT A 3 5.268 -8.031 -13.585 1.00 0.27 H new ATOM 0 H1' DT A 3 5.021 -9.505 -15.768 1.00 0.27 H new ATOM 0 H3 DT A 3 5.248 -4.800 -16.382 1.00 0.36 H new ATOM 0 H71 DT A 3 8.044 -6.042 -19.797 1.00 0.50 H new ATOM 0 H72 DT A 3 9.338 -6.487 -18.659 1.00 0.50 H new ATOM 0 H73 DT A 3 8.423 -7.756 -19.506 1.00 0.50 H new ATOM 0 H6 DT A 3 7.661 -8.806 -17.419 1.00 0.27 H new ATOM 97 P DT A 4 7.286 -7.725 -11.143 1.00 0.28 P ATOM 98 OP1 DT A 4 7.155 -6.441 -11.855 1.00 0.35 O ATOM 99 OP2 DT A 4 8.230 -7.832 -10.019 1.00 0.33 O ATOM 100 O5' DT A 4 5.792 -8.103 -10.633 1.00 0.31 O ATOM 101 C5' DT A 4 5.295 -9.313 -10.079 1.00 0.29 C ATOM 102 C4' DT A 4 5.763 -9.580 -8.645 1.00 0.22 C ATOM 103 O4' DT A 4 7.172 -9.911 -8.615 1.00 0.29 O ATOM 104 C3' DT A 4 5.548 -8.277 -7.811 1.00 0.21 C ATOM 105 O3' DT A 4 4.723 -8.342 -6.621 1.00 0.26 O ATOM 106 C2' DT A 4 6.996 -8.018 -7.450 1.00 0.18 C ATOM 107 C1' DT A 4 7.674 -9.366 -7.371 1.00 0.21 C ATOM 108 N1 DT A 4 9.142 -9.394 -7.361 1.00 0.20 N ATOM 109 C2 DT A 4 9.821 -8.912 -6.233 1.00 0.21 C ATOM 110 O2 DT A 4 9.258 -8.469 -5.240 1.00 0.30 O ATOM 111 N3 DT A 4 11.186 -8.955 -6.293 1.00 0.22 N ATOM 112 C4 DT A 4 11.940 -9.415 -7.324 1.00 0.24 C ATOM 113 O4 DT A 4 13.154 -9.377 -7.211 1.00 0.20 O ATOM 114 C5 DT A 4 11.207 -9.903 -8.462 1.00 0.27 C ATOM 115 C7 DT A 4 11.984 -10.435 -9.671 1.00 0.35 C ATOM 116 C6 DT A 4 9.858 -9.875 -8.442 1.00 0.26 C ATOM 0 H5' DT A 4 5.605 -10.145 -10.712 1.00 0.29 H new ATOM 0 H5'' DT A 4 4.205 -9.288 -10.096 1.00 0.29 H new ATOM 0 H4' DT A 4 5.195 -10.416 -8.236 1.00 0.22 H new ATOM 0 H3' DT A 4 4.991 -7.525 -8.369 1.00 0.21 H new ATOM 0 H2' DT A 4 7.475 -7.388 -8.200 1.00 0.18 H new ATOM 0 H2'' DT A 4 7.069 -7.492 -6.498 1.00 0.18 H new ATOM 0 H1' DT A 4 7.462 -9.881 -6.434 1.00 0.21 H new ATOM 0 H3 DT A 4 11.690 -8.605 -5.478 1.00 0.22 H new ATOM 0 H71 DT A 4 11.397 -11.207 -10.170 1.00 0.35 H new ATOM 0 H72 DT A 4 12.177 -9.619 -10.367 1.00 0.35 H new ATOM 0 H73 DT A 4 12.931 -10.858 -9.337 1.00 0.35 H new ATOM 0 H6 DT A 4 9.317 -10.242 -9.302 1.00 0.26 H new ATOM 129 P DG A 5 4.178 -6.967 -5.917 1.00 0.23 P ATOM 130 OP1 DG A 5 2.717 -6.845 -6.080 1.00 0.30 O ATOM 131 OP2 DG A 5 5.054 -5.868 -6.374 1.00 0.23 O ATOM 132 O5' DG A 5 4.482 -7.236 -4.357 1.00 0.28 O ATOM 133 C5' DG A 5 3.539 -7.432 -3.299 1.00 0.27 C ATOM 134 C4' DG A 5 3.732 -6.460 -2.151 1.00 0.27 C ATOM 135 O4' DG A 5 5.116 -6.446 -1.677 1.00 0.27 O ATOM 136 C3' DG A 5 3.438 -5.039 -2.660 1.00 0.27 C ATOM 137 O3' DG A 5 3.125 -4.165 -1.573 1.00 0.39 O ATOM 138 C2' DG A 5 4.856 -4.773 -3.123 1.00 0.27 C ATOM 139 C1' DG A 5 5.684 -5.139 -1.923 1.00 0.27 C ATOM 140 N9 DG A 5 7.134 -5.108 -2.108 1.00 0.25 N ATOM 141 C8 DG A 5 8.109 -5.079 -1.147 1.00 0.28 C ATOM 142 N7 DG A 5 9.316 -5.097 -1.631 1.00 0.26 N ATOM 143 C5 DG A 5 9.136 -5.140 -2.998 1.00 0.20 C ATOM 144 C6 DG A 5 10.103 -5.179 -4.027 1.00 0.17 C ATOM 145 O6 DG A 5 11.314 -5.181 -3.922 1.00 0.19 O ATOM 146 N1 DG A 5 9.515 -5.216 -5.274 1.00 0.14 N ATOM 147 C2 DG A 5 8.173 -5.216 -5.506 1.00 0.15 C ATOM 148 N2 DG A 5 7.784 -5.234 -6.766 1.00 0.20 N ATOM 149 N3 DG A 5 7.263 -5.184 -4.548 1.00 0.17 N ATOM 150 C4 DG A 5 7.800 -5.148 -3.309 1.00 0.18 C ATOM 0 H5' DG A 5 3.627 -8.452 -2.924 1.00 0.27 H new ATOM 0 H5'' DG A 5 2.529 -7.324 -3.694 1.00 0.27 H new ATOM 0 H4' DG A 5 3.069 -6.769 -1.343 1.00 0.27 H new ATOM 0 H3' DG A 5 2.619 -4.915 -3.369 1.00 0.27 H new ATOM 0 H2' DG A 5 5.116 -5.378 -3.991 1.00 0.27 H new ATOM 0 H2'' DG A 5 4.998 -3.730 -3.407 1.00 0.27 H new ATOM 0 H1' DG A 5 5.631 -4.435 -1.092 1.00 0.27 H new ATOM 0 H8 DG A 5 7.896 -5.044 -0.089 1.00 0.28 H new ATOM 0 H1 DG A 5 10.133 -5.246 -6.085 1.00 0.14 H new ATOM 0 H21 DG A 5 6.790 -5.235 -6.993 1.00 0.20 H new ATOM 0 H22 DG A 5 8.478 -5.247 -7.514 1.00 0.20 H new ATOM 162 P DG A 6 2.890 -2.583 -1.790 1.00 0.42 P ATOM 163 OP1 DG A 6 1.489 -2.413 -2.164 1.00 0.58 O ATOM 164 OP2 DG A 6 3.947 -2.028 -2.653 1.00 0.38 O ATOM 165 O5' DG A 6 3.059 -1.989 -0.327 1.00 0.59 O ATOM 166 C5' DG A 6 3.553 -0.698 0.020 1.00 0.50 C ATOM 167 C4' DG A 6 5.008 -0.758 0.402 1.00 0.35 C ATOM 168 O4' DG A 6 5.823 -1.192 -0.679 1.00 0.27 O ATOM 169 C3' DG A 6 5.536 0.623 0.837 1.00 0.32 C ATOM 170 O3' DG A 6 6.109 0.555 2.151 1.00 0.29 O ATOM 171 C2' DG A 6 6.576 0.872 -0.289 1.00 0.33 C ATOM 172 C1' DG A 6 7.096 -0.504 -0.626 1.00 0.23 C ATOM 173 N9 DG A 6 7.821 -0.791 -1.872 1.00 0.20 N ATOM 174 C8 DG A 6 7.340 -0.971 -3.144 1.00 0.21 C ATOM 175 N7 DG A 6 8.252 -1.265 -4.015 1.00 0.21 N ATOM 176 C5 DG A 6 9.435 -1.277 -3.299 1.00 0.19 C ATOM 177 C6 DG A 6 10.758 -1.531 -3.729 1.00 0.22 C ATOM 178 O6 DG A 6 11.137 -1.831 -4.858 1.00 0.26 O ATOM 179 N1 DG A 6 11.661 -1.436 -2.689 1.00 0.21 N ATOM 180 C2 DG A 6 11.328 -1.141 -1.393 1.00 0.19 C ATOM 181 N2 DG A 6 12.301 -1.057 -0.503 1.00 0.23 N ATOM 182 N3 DG A 6 10.078 -0.907 -0.981 1.00 0.18 N ATOM 183 C4 DG A 6 9.184 -0.988 -1.985 1.00 0.18 C ATOM 0 H5' DG A 6 2.973 -0.294 0.850 1.00 0.50 H new ATOM 0 H5'' DG A 6 3.423 -0.017 -0.821 1.00 0.50 H new ATOM 0 H4' DG A 6 5.065 -1.469 1.227 1.00 0.35 H new ATOM 0 H3' DG A 6 4.797 1.419 0.930 1.00 0.32 H new ATOM 0 H2' DG A 6 6.118 1.348 -1.156 1.00 0.33 H new ATOM 0 H2'' DG A 6 7.378 1.529 0.048 1.00 0.33 H new ATOM 0 H1' DG A 6 7.881 -0.763 0.084 1.00 0.23 H new ATOM 0 H8 DG A 6 6.294 -0.876 -3.396 1.00 0.21 H new ATOM 0 H1 DG A 6 12.646 -1.597 -2.900 1.00 0.21 H new ATOM 0 H21 DG A 6 12.085 -0.839 0.470 1.00 0.23 H new ATOM 0 H22 DG A 6 13.268 -1.210 -0.789 1.00 0.23 H new ATOM 195 P DT A 7 5.288 0.116 3.476 1.00 0.31 P ATOM 196 OP1 DT A 7 4.825 -1.269 3.278 1.00 0.38 O ATOM 197 OP2 DT A 7 4.311 1.165 3.858 1.00 0.37 O ATOM 198 O5' DT A 7 6.475 0.077 4.583 1.00 0.33 O ATOM 199 C5' DT A 7 7.315 -1.073 4.899 1.00 0.31 C ATOM 200 C4' DT A 7 8.669 -1.082 4.192 1.00 0.25 C ATOM 201 O4' DT A 7 9.546 -2.198 4.517 1.00 0.28 O ATOM 202 C3' DT A 7 8.536 -1.095 2.645 1.00 0.20 C ATOM 203 O3' DT A 7 8.866 0.107 1.979 1.00 0.20 O ATOM 204 C2' DT A 7 9.483 -2.272 2.369 1.00 0.22 C ATOM 205 C1' DT A 7 10.505 -2.306 3.445 1.00 0.21 C ATOM 206 N1 DT A 7 11.338 -3.562 3.423 1.00 0.20 N ATOM 207 C2 DT A 7 12.211 -3.738 2.355 1.00 0.16 C ATOM 208 O2 DT A 7 12.341 -2.933 1.441 1.00 0.21 O ATOM 209 N3 DT A 7 12.947 -4.884 2.358 1.00 0.19 N ATOM 210 C4 DT A 7 12.907 -5.869 3.316 1.00 0.25 C ATOM 211 O4 DT A 7 13.637 -6.852 3.204 1.00 0.31 O ATOM 212 C5 DT A 7 11.981 -5.609 4.383 1.00 0.30 C ATOM 213 C7 DT A 7 11.868 -6.638 5.506 1.00 0.44 C ATOM 214 C6 DT A 7 11.247 -4.497 4.404 1.00 0.27 C ATOM 0 H5' DT A 7 6.776 -1.983 4.636 1.00 0.31 H new ATOM 0 H5'' DT A 7 7.481 -1.100 5.976 1.00 0.31 H new ATOM 0 H4' DT A 7 9.113 -0.159 4.564 1.00 0.25 H new ATOM 0 H3' DT A 7 7.518 -1.196 2.269 1.00 0.20 H new ATOM 0 H2' DT A 7 8.927 -3.209 2.343 1.00 0.22 H new ATOM 0 H2'' DT A 7 9.959 -2.157 1.395 1.00 0.22 H new ATOM 0 H1' DT A 7 11.308 -1.569 3.441 1.00 0.21 H new ATOM 0 H3 DT A 7 13.587 -5.024 1.577 1.00 0.19 H new ATOM 0 H71 DT A 7 12.087 -7.631 5.113 1.00 0.44 H new ATOM 0 H72 DT A 7 12.579 -6.395 6.295 1.00 0.44 H new ATOM 0 H73 DT A 7 10.857 -6.624 5.912 1.00 0.44 H new ATOM 0 H6 DT A 7 10.562 -4.335 5.223 1.00 0.27 H new ATOM 227 P DG A 8 10.190 0.990 2.222 1.00 0.19 P ATOM 228 OP1 DG A 8 11.335 0.297 1.621 1.00 0.21 O ATOM 229 OP2 DG A 8 10.218 1.359 3.631 1.00 0.34 O ATOM 230 O5' DG A 8 9.862 2.331 1.402 1.00 0.32 O ATOM 231 C5' DG A 8 10.792 3.237 0.808 1.00 0.27 C ATOM 232 C4' DG A 8 11.666 2.595 -0.256 1.00 0.22 C ATOM 233 O4' DG A 8 10.826 1.932 -1.198 1.00 0.30 O ATOM 234 C3' DG A 8 12.557 3.545 -1.073 1.00 0.21 C ATOM 235 O3' DG A 8 12.949 4.791 -0.466 1.00 0.23 O ATOM 236 C2' DG A 8 11.645 3.722 -2.249 1.00 0.23 C ATOM 237 C1' DG A 8 11.140 2.323 -2.542 1.00 0.23 C ATOM 238 N9 DG A 8 9.949 2.194 -3.379 1.00 0.27 N ATOM 239 C8 DG A 8 8.640 2.541 -3.088 1.00 0.32 C ATOM 240 N7 DG A 8 7.796 2.311 -4.023 1.00 0.36 N ATOM 241 C5 DG A 8 8.568 1.768 -5.027 1.00 0.35 C ATOM 242 C6 DG A 8 8.172 1.314 -6.315 1.00 0.38 C ATOM 243 O6 DG A 8 7.049 1.291 -6.802 1.00 0.40 O ATOM 244 N1 DG A 8 9.259 0.834 -7.026 1.00 0.39 N ATOM 245 C2 DG A 8 10.545 0.793 -6.565 1.00 0.35 C ATOM 246 N2 DG A 8 11.431 0.290 -7.391 1.00 0.40 N ATOM 247 N3 DG A 8 10.934 1.210 -5.369 1.00 0.31 N ATOM 248 C4 DG A 8 9.889 1.689 -4.646 1.00 0.30 C ATOM 0 H5' DG A 8 11.429 3.654 1.588 1.00 0.27 H new ATOM 0 H5'' DG A 8 10.245 4.069 0.364 1.00 0.27 H new ATOM 0 H4' DG A 8 12.333 1.939 0.304 1.00 0.22 H new ATOM 0 H3' DG A 8 13.555 3.147 -1.256 1.00 0.21 H new ATOM 0 H2' DG A 8 10.824 4.401 -2.018 1.00 0.23 H new ATOM 0 H2'' DG A 8 12.175 4.141 -3.104 1.00 0.23 H new ATOM 0 H1' DG A 8 11.862 1.744 -3.117 1.00 0.23 H new ATOM 0 H8 DG A 8 8.352 2.974 -2.141 1.00 0.32 H new ATOM 0 H1 DG A 8 9.086 0.483 -7.968 1.00 0.39 H new ATOM 0 H21 DG A 8 12.410 0.229 -7.113 1.00 0.40 H new ATOM 0 H22 DG A 8 11.141 -0.040 -8.312 1.00 0.40 H new ATOM 260 P DT A 9 14.061 4.884 0.677 1.00 0.21 P ATOM 261 OP1 DT A 9 13.552 4.196 1.874 1.00 0.28 O ATOM 262 OP2 DT A 9 14.476 6.284 0.764 1.00 0.30 O ATOM 263 O5' DT A 9 15.290 4.044 0.081 1.00 0.24 O ATOM 264 C5' DT A 9 15.968 3.030 0.820 1.00 0.23 C ATOM 265 C4' DT A 9 16.815 2.135 -0.096 1.00 0.20 C ATOM 266 O4' DT A 9 16.020 1.420 -1.055 1.00 0.24 O ATOM 267 C3' DT A 9 17.861 2.928 -0.909 1.00 0.18 C ATOM 268 O3' DT A 9 19.138 2.255 -0.811 1.00 0.24 O ATOM 269 C2' DT A 9 17.213 2.811 -2.258 1.00 0.17 C ATOM 270 C1' DT A 9 16.709 1.410 -2.291 1.00 0.21 C ATOM 271 N1 DT A 9 15.936 1.058 -3.519 1.00 0.23 N ATOM 272 C2 DT A 9 14.566 1.112 -3.509 1.00 0.26 C ATOM 273 O2 DT A 9 13.868 1.443 -2.553 1.00 0.27 O ATOM 274 N3 DT A 9 13.972 0.749 -4.700 1.00 0.28 N ATOM 275 C4 DT A 9 14.571 0.344 -5.861 1.00 0.30 C ATOM 276 O4 DT A 9 13.886 0.044 -6.805 1.00 0.40 O ATOM 277 C5 DT A 9 15.960 0.320 -5.777 1.00 0.28 C ATOM 278 C7 DT A 9 16.771 -0.105 -6.980 1.00 0.31 C ATOM 279 C6 DT A 9 16.606 0.664 -4.655 1.00 0.24 C ATOM 0 H5' DT A 9 15.240 2.420 1.354 1.00 0.23 H new ATOM 0 H5'' DT A 9 16.608 3.493 1.571 1.00 0.23 H new ATOM 0 H4' DT A 9 17.307 1.447 0.591 1.00 0.20 H new ATOM 0 H3' DT A 9 18.081 3.954 -0.614 1.00 0.18 H new ATOM 0 H2' DT A 9 16.403 3.530 -2.376 1.00 0.17 H new ATOM 0 H2'' DT A 9 17.925 2.999 -3.061 1.00 0.17 H new ATOM 0 H1' DT A 9 17.452 0.616 -2.373 1.00 0.21 H new ATOM 0 H3 DT A 9 12.953 0.788 -4.717 1.00 0.28 H new ATOM 0 H71 DT A 9 16.198 -0.819 -7.572 1.00 0.31 H new ATOM 0 H72 DT A 9 17.003 0.768 -7.590 1.00 0.31 H new ATOM 0 H73 DT A 9 17.698 -0.571 -6.647 1.00 0.31 H new ATOM 0 H6 DT A 9 17.685 0.631 -4.641 1.00 0.24 H new ATOM 292 P DG A 10 20.195 1.996 -2.000 1.00 0.17 P ATOM 293 OP1 DG A 10 20.627 3.310 -2.490 1.00 0.32 O ATOM 294 OP2 DG A 10 19.652 1.001 -2.937 1.00 0.29 O ATOM 295 O5' DG A 10 21.441 1.353 -1.190 1.00 0.24 O ATOM 296 C5' DG A 10 21.549 -0.024 -0.844 1.00 0.22 C ATOM 297 C4' DG A 10 20.780 -0.426 0.413 1.00 0.20 C ATOM 298 O4' DG A 10 19.353 -0.213 0.253 1.00 0.20 O ATOM 299 C3' DG A 10 20.965 -1.921 0.703 1.00 0.21 C ATOM 300 O3' DG A 10 21.247 -2.308 2.058 1.00 0.18 O ATOM 301 C2' DG A 10 19.619 -2.385 0.261 1.00 0.27 C ATOM 302 C1' DG A 10 18.610 -1.357 0.700 1.00 0.20 C ATOM 303 N9 DG A 10 17.291 -1.454 0.020 1.00 0.19 N ATOM 304 C8 DG A 10 16.010 -1.321 0.495 1.00 0.24 C ATOM 305 N7 DG A 10 15.069 -1.468 -0.412 1.00 0.23 N ATOM 306 C5 DG A 10 15.787 -1.715 -1.578 1.00 0.17 C ATOM 307 C6 DG A 10 15.343 -1.961 -2.906 1.00 0.17 C ATOM 308 O6 DG A 10 14.202 -2.018 -3.350 1.00 0.19 O ATOM 309 N1 DG A 10 16.393 -2.161 -3.772 1.00 0.19 N ATOM 310 C2 DG A 10 17.719 -2.137 -3.416 1.00 0.21 C ATOM 311 N2 DG A 10 18.625 -2.347 -4.342 1.00 0.29 N ATOM 312 N3 DG A 10 18.153 -1.910 -2.194 1.00 0.18 N ATOM 313 C4 DG A 10 17.133 -1.711 -1.322 1.00 0.16 C ATOM 0 H5' DG A 10 22.602 -0.268 -0.704 1.00 0.22 H new ATOM 0 H5'' DG A 10 21.191 -0.624 -1.680 1.00 0.22 H new ATOM 0 H4' DG A 10 21.171 0.189 1.224 1.00 0.20 H new ATOM 0 H3' DG A 10 21.846 -2.340 0.216 1.00 0.21 H new ATOM 0 H2' DG A 10 19.594 -2.507 -0.822 1.00 0.27 H new ATOM 0 H2'' DG A 10 19.388 -3.357 0.697 1.00 0.27 H new ATOM 0 H1' DG A 10 18.313 -1.405 1.748 1.00 0.20 H new ATOM 0 H8 DG A 10 15.792 -1.112 1.532 1.00 0.24 H new ATOM 0 H1 DG A 10 16.170 -2.340 -4.751 1.00 0.19 H new ATOM 0 H21 DG A 10 19.615 -2.333 -4.099 1.00 0.29 H new ATOM 0 H22 DG A 10 18.339 -2.524 -5.305 1.00 0.29 H new ATOM 325 P DG A 11 21.273 -3.923 2.448 1.00 0.19 P ATOM 326 OP1 DG A 11 22.015 -4.087 3.719 1.00 0.23 O ATOM 327 OP2 DG A 11 21.735 -4.658 1.252 1.00 0.21 O ATOM 328 O5' DG A 11 19.753 -4.245 2.738 1.00 0.24 O ATOM 329 C5' DG A 11 18.932 -3.635 3.743 1.00 0.22 C ATOM 330 C4' DG A 11 17.446 -3.972 3.645 1.00 0.19 C ATOM 331 O4' DG A 11 16.965 -3.753 2.312 1.00 0.21 O ATOM 332 C3' DG A 11 17.338 -5.492 3.953 1.00 0.17 C ATOM 333 O3' DG A 11 16.109 -5.971 4.557 1.00 0.22 O ATOM 334 C2' DG A 11 17.403 -5.950 2.491 1.00 0.15 C ATOM 335 C1' DG A 11 16.488 -4.980 1.803 1.00 0.16 C ATOM 336 N9 DG A 11 16.431 -5.018 0.305 1.00 0.13 N ATOM 337 C8 DG A 11 17.433 -5.026 -0.610 1.00 0.16 C ATOM 338 N7 DG A 11 17.043 -5.039 -1.832 1.00 0.16 N ATOM 339 C5 DG A 11 15.667 -5.041 -1.724 1.00 0.11 C ATOM 340 C6 DG A 11 14.700 -5.053 -2.713 1.00 0.13 C ATOM 341 O6 DG A 11 14.905 -5.045 -3.908 1.00 0.16 O ATOM 342 N1 DG A 11 13.402 -5.056 -2.212 1.00 0.16 N ATOM 343 C2 DG A 11 13.097 -5.043 -0.864 1.00 0.17 C ATOM 344 N2 DG A 11 11.840 -5.045 -0.514 1.00 0.27 N ATOM 345 N3 DG A 11 14.015 -5.029 0.113 1.00 0.14 N ATOM 346 C4 DG A 11 15.277 -5.032 -0.418 1.00 0.11 C ATOM 0 H5' DG A 11 19.050 -2.553 3.682 1.00 0.22 H new ATOM 0 H5'' DG A 11 19.296 -3.940 4.724 1.00 0.22 H new ATOM 0 H4' DG A 11 16.864 -3.353 4.328 1.00 0.19 H new ATOM 0 H3' DG A 11 18.069 -5.839 4.684 1.00 0.17 H new ATOM 0 H2' DG A 11 18.418 -5.901 2.095 1.00 0.15 H new ATOM 0 H2'' DG A 11 17.065 -6.980 2.373 1.00 0.15 H new ATOM 0 H1' DG A 11 15.442 -5.207 2.010 1.00 0.16 H new ATOM 0 H8 DG A 11 18.476 -5.022 -0.331 1.00 0.16 H new ATOM 0 H1 DG A 11 12.630 -5.069 -2.879 1.00 0.16 H new ATOM 0 H21 DG A 11 11.586 -5.036 0.474 1.00 0.27 H new ATOM 0 H22 DG A 11 11.112 -5.056 -1.228 1.00 0.27 H new ATOM 358 P DT A 12 16.118 -7.212 5.543 1.00 0.29 P ATOM 359 OP1 DT A 12 14.869 -7.994 5.427 1.00 0.37 O ATOM 360 OP2 DT A 12 16.569 -6.750 6.860 1.00 0.37 O ATOM 361 O5' DT A 12 17.347 -8.136 4.959 1.00 0.28 O ATOM 362 C5' DT A 12 17.097 -9.290 4.147 1.00 0.29 C ATOM 363 C4' DT A 12 18.350 -9.801 3.463 1.00 0.26 C ATOM 364 O4' DT A 12 19.330 -10.038 4.462 1.00 0.28 O ATOM 365 C3' DT A 12 19.021 -8.867 2.489 1.00 0.23 C ATOM 366 O3' DT A 12 18.469 -8.975 1.160 1.00 0.30 O ATOM 367 C2' DT A 12 20.560 -9.283 2.580 1.00 0.20 C ATOM 368 C1' DT A 12 20.546 -9.342 4.133 1.00 0.22 C ATOM 369 N1 DT A 12 20.637 -8.043 4.889 1.00 0.22 N ATOM 370 C2 DT A 12 21.390 -7.022 4.362 1.00 0.25 C ATOM 371 O2 DT A 12 22.006 -7.108 3.308 1.00 0.30 O ATOM 372 N3 DT A 12 21.463 -5.846 5.083 1.00 0.29 N ATOM 373 C4 DT A 12 20.860 -5.562 6.296 1.00 0.31 C ATOM 374 O4 DT A 12 21.031 -4.445 6.795 1.00 0.34 O ATOM 375 C5 DT A 12 20.076 -6.705 6.800 1.00 0.32 C ATOM 376 C7 DT A 12 19.317 -6.694 8.123 1.00 0.42 C ATOM 377 C6 DT A 12 20.005 -7.863 6.085 1.00 0.28 C ATOM 0 H5' DT A 12 16.350 -9.044 3.393 1.00 0.29 H new ATOM 0 H5'' DT A 12 16.676 -10.082 4.767 1.00 0.29 H new ATOM 0 H4' DT A 12 18.009 -10.671 2.902 1.00 0.26 H new ATOM 0 H3' DT A 12 18.871 -7.814 2.729 1.00 0.23 H new ATOM 0 H2' DT A 12 20.793 -10.234 2.101 1.00 0.20 H new ATOM 0 H2'' DT A 12 21.246 -8.542 2.169 1.00 0.20 H new ATOM 0 H1' DT A 12 21.464 -9.836 4.451 1.00 0.22 H new ATOM 0 H3 DT A 12 22.027 -5.101 4.674 1.00 0.29 H new ATOM 0 H71 DT A 12 18.446 -7.345 8.048 1.00 0.42 H new ATOM 0 H72 DT A 12 19.970 -7.051 8.920 1.00 0.42 H new ATOM 0 H73 DT A 12 18.992 -5.678 8.348 1.00 0.42 H new ATOM 0 H6 DT A 12 19.420 -8.678 6.484 1.00 0.28 H new ATOM 390 P DT A 13 18.936 -8.088 -0.087 1.00 0.27 P ATOM 391 OP1 DT A 13 19.481 -6.816 0.399 1.00 0.32 O ATOM 392 OP2 DT A 13 17.879 -8.073 -1.092 1.00 0.40 O ATOM 393 O5' DT A 13 20.156 -8.975 -0.630 1.00 0.28 O ATOM 394 C5' DT A 13 20.264 -10.400 -0.746 1.00 0.31 C ATOM 395 C4' DT A 13 19.689 -10.963 -2.019 1.00 0.30 C ATOM 396 O4' DT A 13 18.263 -10.830 -2.140 1.00 0.28 O ATOM 397 C3' DT A 13 20.334 -10.347 -3.273 1.00 0.25 C ATOM 398 O3' DT A 13 20.745 -11.450 -4.061 1.00 0.34 O ATOM 399 C2' DT A 13 19.114 -9.652 -3.851 1.00 0.23 C ATOM 400 C1' DT A 13 17.933 -10.561 -3.504 1.00 0.23 C ATOM 401 N1 DT A 13 16.577 -9.944 -3.669 1.00 0.21 N ATOM 402 C2 DT A 13 16.031 -9.910 -4.940 1.00 0.22 C ATOM 403 O2 DT A 13 16.608 -10.362 -5.914 1.00 0.26 O ATOM 404 N3 DT A 13 14.805 -9.359 -5.054 1.00 0.21 N ATOM 405 C4 DT A 13 14.041 -8.834 -4.060 1.00 0.24 C ATOM 406 O4 DT A 13 12.926 -8.372 -4.352 1.00 0.32 O ATOM 407 C5 DT A 13 14.659 -8.889 -2.729 1.00 0.22 C ATOM 408 C7 DT A 13 13.930 -8.350 -1.502 1.00 0.31 C ATOM 409 C6 DT A 13 15.880 -9.434 -2.612 1.00 0.22 C ATOM 0 H5' DT A 13 19.759 -10.861 0.102 1.00 0.31 H new ATOM 0 H5'' DT A 13 21.316 -10.680 -0.681 1.00 0.31 H new ATOM 0 H4' DT A 13 19.923 -12.025 -1.953 1.00 0.30 H new ATOM 0 H3' DT A 13 21.192 -9.684 -3.161 1.00 0.25 H new ATOM 0 H2' DT A 13 18.986 -8.659 -3.421 1.00 0.23 H new ATOM 0 H2'' DT A 13 19.208 -9.523 -4.929 1.00 0.23 H new ATOM 0 H1' DT A 13 17.829 -11.427 -4.158 1.00 0.23 H new ATOM 0 H3 DT A 13 14.406 -9.333 -5.992 1.00 0.21 H new ATOM 0 H71 DT A 13 13.274 -7.532 -1.799 1.00 0.31 H new ATOM 0 H72 DT A 13 13.336 -9.146 -1.053 1.00 0.31 H new ATOM 0 H73 DT A 13 14.658 -7.987 -0.777 1.00 0.31 H new ATOM 0 H6 DT A 13 16.334 -9.471 -1.633 1.00 0.22 H new ATOM 422 P DG A 14 22.052 -11.654 -4.975 1.00 0.27 P ATOM 423 OP1 DG A 14 22.410 -13.062 -5.092 1.00 0.44 O ATOM 424 OP2 DG A 14 23.052 -10.715 -4.533 1.00 0.45 O ATOM 425 O5' DG A 14 21.598 -11.171 -6.413 1.00 0.33 O ATOM 426 C5' DG A 14 22.389 -11.182 -7.613 1.00 0.28 C ATOM 427 C4' DG A 14 22.273 -9.868 -8.395 1.00 0.23 C ATOM 428 O4' DG A 14 20.875 -9.588 -8.691 1.00 0.21 O ATOM 429 C3' DG A 14 22.788 -8.679 -7.586 1.00 0.22 C ATOM 430 O3' DG A 14 23.113 -7.617 -8.498 1.00 0.21 O ATOM 431 C2' DG A 14 21.455 -8.418 -6.884 1.00 0.21 C ATOM 432 C1' DG A 14 20.539 -8.351 -8.057 1.00 0.17 C ATOM 433 N9 DG A 14 19.103 -8.177 -7.825 1.00 0.11 N ATOM 434 C8 DG A 14 18.086 -8.599 -8.609 1.00 0.13 C ATOM 435 N7 DG A 14 16.907 -8.271 -8.167 1.00 0.16 N ATOM 436 C5 DG A 14 17.189 -7.575 -6.998 1.00 0.15 C ATOM 437 C6 DG A 14 16.317 -6.976 -6.086 1.00 0.18 C ATOM 438 O6 DG A 14 15.096 -6.927 -6.146 1.00 0.21 O ATOM 439 N1 DG A 14 16.999 -6.378 -5.044 1.00 0.19 N ATOM 440 C2 DG A 14 18.357 -6.366 -4.900 1.00 0.19 C ATOM 441 N2 DG A 14 18.872 -5.735 -3.842 1.00 0.25 N ATOM 442 N3 DG A 14 19.204 -6.926 -5.749 1.00 0.17 N ATOM 443 C4 DG A 14 18.542 -7.515 -6.778 1.00 0.13 C ATOM 0 H5' DG A 14 22.072 -12.010 -8.248 1.00 0.28 H new ATOM 0 H5'' DG A 14 23.433 -11.359 -7.356 1.00 0.28 H new ATOM 0 H4' DG A 14 22.866 -9.991 -9.301 1.00 0.23 H new ATOM 0 H3' DG A 14 23.668 -8.797 -6.954 1.00 0.22 H new ATOM 0 H2' DG A 14 21.187 -9.218 -6.194 1.00 0.21 H new ATOM 0 H2'' DG A 14 21.463 -7.491 -6.311 1.00 0.21 H new ATOM 0 H1' DG A 14 20.689 -7.440 -8.636 1.00 0.17 H new ATOM 0 H8 DG A 14 18.238 -9.158 -9.520 1.00 0.13 H new ATOM 0 H1 DG A 14 16.446 -5.909 -4.327 1.00 0.19 H new ATOM 0 H21 DG A 14 19.883 -5.708 -3.706 1.00 0.25 H new ATOM 0 H22 DG A 14 18.255 -5.280 -3.170 1.00 0.25 H new ATOM 455 P DG A 15 23.790 -6.223 -8.107 1.00 0.20 P ATOM 456 OP1 DG A 15 25.121 -6.538 -7.583 1.00 0.32 O ATOM 457 OP2 DG A 15 22.872 -5.405 -7.305 1.00 0.25 O ATOM 458 O5' DG A 15 23.995 -5.505 -9.531 1.00 0.21 O ATOM 459 C5' DG A 15 23.016 -4.961 -10.417 1.00 0.27 C ATOM 460 C4' DG A 15 21.782 -5.850 -10.624 1.00 0.26 C ATOM 461 O4' DG A 15 20.989 -5.815 -9.409 1.00 0.24 O ATOM 462 C3' DG A 15 20.851 -5.428 -11.756 1.00 0.33 C ATOM 463 O3' DG A 15 20.047 -6.543 -12.151 1.00 0.40 O ATOM 464 C2' DG A 15 19.967 -4.483 -10.970 1.00 0.28 C ATOM 465 C1' DG A 15 19.662 -5.392 -9.741 1.00 0.20 C ATOM 466 N9 DG A 15 18.953 -4.728 -8.613 1.00 0.17 N ATOM 467 C8 DG A 15 19.455 -4.259 -7.421 1.00 0.21 C ATOM 468 N7 DG A 15 18.551 -3.699 -6.655 1.00 0.22 N ATOM 469 C5 DG A 15 17.369 -3.798 -7.372 1.00 0.18 C ATOM 470 C6 DG A 15 16.065 -3.363 -7.038 1.00 0.20 C ATOM 471 O6 DG A 15 15.705 -2.786 -6.021 1.00 0.25 O ATOM 472 N1 DG A 15 15.159 -3.648 -8.026 1.00 0.19 N ATOM 473 C2 DG A 15 15.480 -4.286 -9.204 1.00 0.19 C ATOM 474 N2 DG A 15 14.516 -4.473 -10.077 1.00 0.22 N ATOM 475 N3 DG A 15 16.700 -4.708 -9.536 1.00 0.17 N ATOM 476 C4 DG A 15 17.597 -4.425 -8.568 1.00 0.15 C ATOM 0 H5' DG A 15 23.482 -4.777 -11.385 1.00 0.27 H new ATOM 0 H5'' DG A 15 22.692 -3.995 -10.031 1.00 0.27 H new ATOM 0 H4' DG A 15 22.176 -6.833 -10.881 1.00 0.26 H new ATOM 0 H3' DG A 15 21.337 -5.036 -12.650 1.00 0.33 H new ATOM 0 H2' DG A 15 20.478 -3.561 -10.694 1.00 0.28 H new ATOM 0 H2'' DG A 15 19.067 -4.198 -11.515 1.00 0.28 H new ATOM 0 HO3' DG A 15 19.447 -6.273 -12.877 1.00 0.40 H new ATOM 0 H1' DG A 15 18.956 -6.193 -9.961 1.00 0.20 H new ATOM 0 H8 DG A 15 20.495 -4.344 -7.143 1.00 0.21 H new ATOM 0 H1 DG A 15 14.188 -3.371 -7.880 1.00 0.19 H new ATOM 0 H21 DG A 15 14.713 -4.941 -10.961 1.00 0.22 H new ATOM 0 H22 DG A 15 13.571 -4.150 -9.870 1.00 0.22 H new TER 489 DG A 15