USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 238 hydrogens (148 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 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 5CM A 1 -12.348 -1.220 -12.298 1.00 2.13 N HETATM 2 C2 5CM A 1 -11.021 -1.144 -12.737 1.00 1.97 C HETATM 3 N3 5CM A 1 -10.476 0.069 -12.987 1.00 1.88 N HETATM 4 C4 5CM A 1 -11.203 1.175 -12.814 1.00 1.95 C HETATM 5 C5 5CM A 1 -12.559 1.126 -12.371 1.00 2.10 C HETATM 6 C5A 5CM A 1 -13.290 2.252 -12.379 1.00 2.19 C HETATM 7 C6 5CM A 1 -13.085 -0.082 -12.128 1.00 2.19 C HETATM 8 O2 5CM A 1 -10.375 -2.192 -12.887 1.00 1.95 O HETATM 9 N4 5CM A 1 -10.621 2.348 -13.067 1.00 1.93 N HETATM 10 C1' 5CM A 1 -12.934 -2.543 -12.022 1.00 2.30 C HETATM 11 C2' 5CM A 1 -13.557 -2.677 -10.643 1.00 2.37 C HETATM 12 C3' 5CM A 1 -14.693 -3.657 -10.878 1.00 2.71 C HETATM 13 C4' 5CM A 1 -15.124 -3.364 -12.315 1.00 2.87 C HETATM 14 O4' 5CM A 1 -13.977 -2.760 -12.960 1.00 2.62 O HETATM 15 O3' 5CM A 1 -14.233 -5.008 -10.762 1.00 2.74 O HETATM 16 C5' 5CM A 1 -16.304 -2.428 -12.448 1.00 3.06 C HETATM 17 O5' 5CM A 1 -17.478 -2.998 -11.860 1.00 3.49 O HETATM 0 HN42 5CM A 1 -11.146 3.214 -12.946 1.00 1.93 H new HETATM 0 HN41 5CM A 1 -9.651 2.379 -13.382 1.00 1.93 H new HETATM 0 H5A3 5CM A 1 -12.820 2.995 -11.735 1.00 2.19 H new HETATM 0 H5A2 5CM A 1 -13.350 2.639 -13.396 1.00 2.19 H new HETATM 0 H5A1 5CM A 1 -14.294 2.037 -12.013 1.00 2.19 H new HETATM 0 H5'' 5CM A 1 -16.076 -1.478 -11.965 1.00 3.06 H new HETATM 0 H2'' 5CM A 1 -12.842 -3.055 -9.912 1.00 2.37 H new HETATM 0 H6 5CM A 1 -14.118 -0.158 -11.789 1.00 2.19 H new HETATM 0 H5' 5CM A 1 -16.487 -2.215 -13.501 1.00 3.06 H new HETATM 0 H4' 5CM A 1 -15.450 -4.301 -12.766 1.00 2.87 H new HETATM 0 H3' 5CM A 1 -15.501 -3.548 -10.155 1.00 2.71 H new HETATM 0 H2' 5CM A 1 -13.920 -1.720 -10.269 1.00 2.37 H new HETATM 0 H1' 5CM A 1 -12.117 -3.262 -12.087 1.00 2.30 H new ATOM 31 P DG A 2 -13.846 -5.601 -9.318 1.00 2.74 P ATOM 32 OP1 DG A 2 -14.441 -6.958 -9.223 1.00 3.02 O ATOM 33 OP2 DG A 2 -14.169 -4.585 -8.283 1.00 2.87 O ATOM 34 O5' DG A 2 -12.262 -5.759 -9.379 1.00 2.30 O ATOM 35 C5' DG A 2 -11.628 -6.392 -10.492 1.00 2.10 C ATOM 36 C4' DG A 2 -10.126 -6.266 -10.382 1.00 1.77 C ATOM 37 O4' DG A 2 -9.740 -4.941 -10.822 1.00 1.59 O ATOM 38 C3' DG A 2 -9.561 -6.434 -8.969 1.00 1.77 C ATOM 39 O3' DG A 2 -8.401 -7.272 -9.003 1.00 1.66 O ATOM 40 C2' DG A 2 -9.197 -5.020 -8.546 1.00 1.61 C ATOM 41 C1' DG A 2 -8.898 -4.331 -9.861 1.00 1.42 C ATOM 42 N9 DG A 2 -9.173 -2.898 -9.873 1.00 1.35 N ATOM 43 C8 DG A 2 -10.265 -2.260 -9.338 1.00 1.54 C ATOM 44 N7 DG A 2 -10.243 -0.967 -9.509 1.00 1.44 N ATOM 45 C5 DG A 2 -9.059 -0.735 -10.197 1.00 1.18 C ATOM 46 C6 DG A 2 -8.490 0.479 -10.664 1.00 1.05 C ATOM 47 O6 DG A 2 -8.933 1.627 -10.558 1.00 1.10 O ATOM 48 N1 DG A 2 -7.279 0.261 -11.313 1.00 0.91 N ATOM 49 C2 DG A 2 -6.692 -0.967 -11.489 1.00 0.87 C ATOM 50 N2 DG A 2 -5.523 -0.977 -12.137 1.00 0.86 N ATOM 51 N3 DG A 2 -7.210 -2.105 -11.060 1.00 0.95 N ATOM 52 C4 DG A 2 -8.387 -1.916 -10.428 1.00 1.13 C ATOM 0 H5' DG A 2 -11.971 -5.937 -11.421 1.00 2.10 H new ATOM 0 H5'' DG A 2 -11.910 -7.444 -10.529 1.00 2.10 H new ATOM 0 H4' DG A 2 -9.725 -7.074 -10.994 1.00 1.77 H new ATOM 0 H3' DG A 2 -10.263 -6.903 -8.280 1.00 1.77 H new ATOM 0 H2' DG A 2 -10.016 -4.535 -8.015 1.00 1.61 H new ATOM 0 H2'' DG A 2 -8.334 -5.009 -7.880 1.00 1.61 H new ATOM 0 H1' DG A 2 -7.831 -4.436 -10.058 1.00 1.42 H new ATOM 0 H8 DG A 2 -11.063 -2.777 -8.826 1.00 1.54 H new ATOM 0 H1 DG A 2 -6.791 1.075 -11.686 1.00 0.91 H new ATOM 0 H21 DG A 2 -5.037 -1.859 -12.299 1.00 0.86 H new ATOM 0 H22 DG A 2 -5.117 -0.102 -12.469 1.00 0.86 H new HETATM 64 N1 5CM A 3 -4.622 -3.830 -7.565 1.00 1.09 N HETATM 65 C2 5CM A 3 -4.135 -2.525 -7.695 1.00 0.91 C HETATM 66 N3 5CM A 3 -4.874 -1.492 -7.227 1.00 0.89 N HETATM 67 C4 5CM A 3 -6.052 -1.724 -6.646 1.00 1.04 C HETATM 68 C5 5CM A 3 -6.574 -3.045 -6.499 1.00 1.24 C HETATM 69 C5A 5CM A 3 -7.670 -3.233 -5.746 1.00 1.46 C HETATM 70 C6 5CM A 3 -5.833 -4.058 -6.970 1.00 1.25 C HETATM 71 O2 5CM A 3 -3.035 -2.345 -8.239 1.00 0.85 O HETATM 72 N4 5CM A 3 -6.742 -0.672 -6.199 1.00 1.04 N HETATM 73 C1' 5CM A 3 -3.811 -4.947 -8.080 1.00 1.13 C HETATM 74 C2' 5CM A 3 -3.520 -6.045 -7.076 1.00 1.37 C HETATM 75 C3' 5CM A 3 -3.343 -7.264 -7.965 1.00 1.41 C HETATM 76 C4' 5CM A 3 -4.273 -6.988 -9.148 1.00 1.28 C HETATM 77 O4' 5CM A 3 -4.535 -5.562 -9.130 1.00 1.14 O HETATM 78 O3' 5CM A 3 -1.989 -7.371 -8.418 1.00 1.39 O HETATM 79 C5' 5CM A 3 -5.590 -7.728 -9.110 1.00 1.45 C HETATM 80 O5' 5CM A 3 -6.197 -7.594 -7.824 1.00 1.56 O HETATM 81 P 5CM A 3 -7.763 -7.816 -7.630 1.00 1.80 P HETATM 82 OP1 5CM A 3 -8.016 -9.278 -7.571 1.00 2.02 O HETATM 83 OP2 5CM A 3 -8.217 -6.948 -6.514 1.00 1.97 O HETATM 0 HN42 5CM A 3 -7.647 -0.810 -5.749 1.00 1.04 H new HETATM 0 HN41 5CM A 3 -6.364 0.269 -6.308 1.00 1.04 H new HETATM 0 H5A3 5CM A 3 -7.472 -2.903 -4.726 1.00 1.46 H new HETATM 0 H5A2 5CM A 3 -8.498 -2.657 -6.159 1.00 1.46 H new HETATM 0 H5A1 5CM A 3 -7.931 -4.291 -5.741 1.00 1.46 H new HETATM 0 H5'' 5CM A 3 -6.257 -7.336 -9.877 1.00 1.45 H new HETATM 0 H2'' 5CM A 3 -2.624 -5.834 -6.493 1.00 1.37 H new HETATM 0 H6 5CM A 3 -6.201 -5.080 -6.878 1.00 1.25 H new HETATM 0 H5' 5CM A 3 -5.429 -8.782 -9.336 1.00 1.45 H new HETATM 0 H4' 5CM A 3 -3.777 -7.338 -10.053 1.00 1.28 H new HETATM 0 H3' 5CM A 3 -3.570 -8.196 -7.447 1.00 1.41 H new HETATM 0 H2' 5CM A 3 -4.338 -6.175 -6.368 1.00 1.37 H new HETATM 0 H1' 5CM A 3 -2.858 -4.508 -8.376 1.00 1.13 H new ATOM 97 P DG A 4 -0.883 -8.073 -7.484 1.00 1.64 P ATOM 98 OP1 DG A 4 -0.049 -8.934 -8.360 1.00 1.93 O ATOM 99 OP2 DG A 4 -1.559 -8.667 -6.302 1.00 1.77 O ATOM 100 O5' DG A 4 0.020 -6.860 -6.983 1.00 1.52 O ATOM 101 C5' DG A 4 0.501 -5.875 -7.898 1.00 1.45 C ATOM 102 C4' DG A 4 0.965 -4.648 -7.149 1.00 1.40 C ATOM 103 O4' DG A 4 -0.194 -3.848 -6.812 1.00 1.46 O ATOM 104 C3' DG A 4 1.689 -4.933 -5.828 1.00 1.39 C ATOM 105 O3' DG A 4 2.867 -4.126 -5.719 1.00 1.41 O ATOM 106 C2' DG A 4 0.679 -4.539 -4.764 1.00 1.35 C ATOM 107 C1' DG A 4 -0.115 -3.453 -5.458 1.00 1.34 C ATOM 108 N9 DG A 4 -1.474 -3.270 -4.960 1.00 1.30 N ATOM 109 C8 DG A 4 -2.359 -4.248 -4.579 1.00 1.35 C ATOM 110 N7 DG A 4 -3.504 -3.776 -4.169 1.00 1.32 N ATOM 111 C5 DG A 4 -3.368 -2.399 -4.290 1.00 1.26 C ATOM 112 C6 DG A 4 -4.283 -1.356 -3.997 1.00 1.23 C ATOM 113 O6 DG A 4 -5.433 -1.442 -3.553 1.00 1.26 O ATOM 114 N1 DG A 4 -3.738 -0.105 -4.270 1.00 1.22 N ATOM 115 C2 DG A 4 -2.473 0.112 -4.758 1.00 1.22 C ATOM 116 N2 DG A 4 -2.126 1.388 -4.954 1.00 1.24 N ATOM 117 N3 DG A 4 -1.611 -0.850 -5.033 1.00 1.24 N ATOM 118 C4 DG A 4 -2.121 -2.072 -4.778 1.00 1.25 C ATOM 0 H5' DG A 4 -0.288 -5.605 -8.600 1.00 1.45 H new ATOM 0 H5'' DG A 4 1.323 -6.284 -8.485 1.00 1.45 H new ATOM 0 H4' DG A 4 1.672 -4.152 -7.815 1.00 1.40 H new ATOM 0 H3' DG A 4 2.012 -5.970 -5.741 1.00 1.39 H new ATOM 0 H2' DG A 4 0.049 -5.379 -4.471 1.00 1.35 H new ATOM 0 H2'' DG A 4 1.164 -4.173 -3.859 1.00 1.35 H new ATOM 0 H1' DG A 4 0.390 -2.503 -5.285 1.00 1.34 H new ATOM 0 H8 DG A 4 -2.130 -5.303 -4.615 1.00 1.35 H new ATOM 0 H1 DG A 4 -4.322 0.712 -4.094 1.00 1.22 H new ATOM 0 H21 DG A 4 -1.199 1.615 -5.315 1.00 1.24 H new ATOM 0 H22 DG A 4 -2.788 2.135 -4.743 1.00 1.24 H new HETATM 130 P 0DC A 5 4.181 -4.721 -5.009 1.00 1.48 P HETATM 131 OP1 0DC A 5 5.173 -5.045 -6.065 1.00 1.64 O HETATM 132 OP2 0DC A 5 3.744 -5.783 -4.064 1.00 1.53 O HETATM 133 O5' 0DC A 5 4.746 -3.500 -4.155 1.00 1.36 O HETATM 134 C5' 0DC A 5 4.259 -3.230 -2.838 1.00 1.28 C HETATM 135 C4' 0DC A 5 4.105 -1.741 -2.633 1.00 1.26 C HETATM 136 O4' 0DC A 5 3.000 -1.506 -1.727 1.00 1.22 O HETATM 137 C3' 0DC A 5 3.779 -0.945 -3.895 1.00 1.34 C HETATM 138 O3' 0DC A 5 4.339 0.371 -3.816 1.00 1.43 O HETATM 139 C2' 0DC A 5 2.264 -0.883 -3.879 1.00 1.39 C HETATM 140 C1' 0DC A 5 1.953 -0.813 -2.393 1.00 1.27 C HETATM 141 N1 0DC A 5 0.677 -1.440 -2.010 1.00 1.21 N HETATM 142 C2 0DC A 5 -0.484 -0.661 -2.001 1.00 1.23 C HETATM 143 O2 0DC A 5 -0.407 0.536 -2.314 1.00 1.27 O HETATM 144 N3 0DC A 5 -1.659 -1.232 -1.653 1.00 1.23 N HETATM 145 C4 0DC A 5 -1.700 -2.525 -1.323 1.00 1.22 C HETATM 146 N4 0DC A 5 -2.880 -3.047 -0.989 1.00 1.27 N HETATM 147 C5 0DC A 5 -0.533 -3.341 -1.323 1.00 1.19 C HETATM 148 C6 0DC A 5 0.623 -2.763 -1.669 1.00 1.19 C HETATM 0 H5'' 0DC A 5 3.300 -3.726 -2.688 1.00 1.28 H new HETATM 0 H2'' 0DC A 5 1.888 -0.011 -4.414 1.00 1.39 H new HETATM 0 H6 0DC A 5 1.537 -3.357 -1.679 1.00 1.19 H new HETATM 0 H5' 0DC A 5 4.947 -3.637 -2.097 1.00 1.28 H new HETATM 0 H5 0DC A 5 -0.580 -4.396 -1.052 1.00 1.19 H new HETATM 0 H42 0DC A 5 -2.948 -4.032 -0.731 1.00 1.27 H new HETATM 0 H41 0DC A 5 -3.715 -2.462 -0.991 1.00 1.27 H new HETATM 0 H4' 0DC A 5 5.073 -1.407 -2.261 1.00 1.26 H new HETATM 0 H3' 0DC A 5 4.181 -1.392 -4.804 1.00 1.34 H new HETATM 0 H2' 0DC A 5 1.817 -1.761 -4.346 1.00 1.39 H new HETATM 0 H1' 0DC A 5 1.871 0.239 -2.120 1.00 1.27 H new HETATM 160 P 0DG A 6 5.232 0.939 -5.028 1.00 1.47 P HETATM 161 OP1 0DG A 6 4.852 2.357 -5.250 1.00 1.69 O HETATM 162 OP2 0DG A 6 5.154 -0.026 -6.156 1.00 1.54 O HETATM 163 O5' 0DG A 6 6.719 0.909 -4.455 1.00 1.47 O HETATM 164 C5' 0DG A 6 6.988 1.222 -3.087 1.00 1.40 C HETATM 165 C4' 0DG A 6 8.292 0.592 -2.655 1.00 1.32 C HETATM 166 O4' 0DG A 6 8.040 -0.781 -2.265 1.00 1.18 O HETATM 167 C3' 0DG A 6 8.962 1.250 -1.448 1.00 1.35 C HETATM 168 O3' 0DG A 6 10.388 1.194 -1.592 1.00 1.43 O HETATM 169 C2' 0DG A 6 8.482 0.399 -0.286 1.00 1.25 C HETATM 170 C1' 0DG A 6 8.423 -0.980 -0.913 1.00 1.16 C HETATM 171 N9 0DG A 6 7.458 -1.891 -0.303 1.00 1.09 N HETATM 172 C8 0DG A 6 7.619 -3.238 -0.091 1.00 1.06 C HETATM 173 N7 0DG A 6 6.585 -3.799 0.471 1.00 1.04 N HETATM 174 C5 0DG A 6 5.682 -2.758 0.642 1.00 1.05 C HETATM 175 C6 0DG A 6 4.378 -2.755 1.201 1.00 1.08 C HETATM 176 O6 0DG A 6 3.741 -3.702 1.676 1.00 1.08 O HETATM 177 N1 0DG A 6 3.813 -1.485 1.176 1.00 1.13 N HETATM 178 C2 0DG A 6 4.426 -0.360 0.682 1.00 1.16 C HETATM 179 N2 0DG A 6 3.722 0.774 0.753 1.00 1.24 N HETATM 180 N3 0DG A 6 5.641 -0.348 0.160 1.00 1.14 N HETATM 181 C4 0DG A 6 6.206 -1.573 0.170 1.00 1.09 C HETATM 0 H5'' 0DG A 6 7.037 2.303 -2.956 1.00 1.40 H new HETATM 0 H2'' 0DG A 6 9.170 0.435 0.558 1.00 1.25 H new HETATM 0 H8 0DG A 6 8.522 -3.784 -0.365 1.00 1.06 H new HETATM 0 H5' 0DG A 6 6.175 0.861 -2.457 1.00 1.40 H new HETATM 0 H4' 0DG A 6 8.956 0.703 -3.512 1.00 1.32 H new HETATM 0 H3' 0DG A 6 8.716 2.304 -1.321 1.00 1.35 H new HETATM 0 H22 0DG A 6 4.121 1.645 0.403 1.00 1.24 H new HETATM 0 H21 0DG A 6 2.786 0.768 1.157 1.00 1.24 H new HETATM 0 H2' 0DG A 6 7.508 0.722 0.082 1.00 1.25 H new HETATM 0 H1' 0DG A 6 9.399 -1.446 -0.780 1.00 1.16 H new HETATM 0 H1 0DG A 6 2.871 -1.381 1.553 1.00 1.13 H new HETATM 193 N1 5CM A 7 8.116 1.387 3.712 1.00 1.28 N HETATM 194 C2 5CM A 7 6.915 1.029 4.334 1.00 1.21 C HETATM 195 N3 5CM A 7 6.552 -0.273 4.373 1.00 1.15 N HETATM 196 C4 5CM A 7 7.336 -1.200 3.820 1.00 1.14 C HETATM 197 C5 5CM A 7 8.564 -0.863 3.176 1.00 1.21 C HETATM 198 C5A 5CM A 7 9.359 -1.845 2.721 1.00 1.21 C HETATM 199 C6 5CM A 7 8.912 0.430 3.147 1.00 1.28 C HETATM 200 O2 5CM A 7 6.212 1.917 4.835 1.00 1.24 O HETATM 201 N4 5CM A 7 6.935 -2.470 3.885 1.00 1.11 N HETATM 202 C1' 5CM A 7 8.504 2.806 3.680 1.00 1.39 C HETATM 203 C2' 5CM A 7 9.735 3.145 4.498 1.00 1.32 C HETATM 204 C3' 5CM A 7 10.276 4.359 3.768 1.00 1.39 C HETATM 205 C4' 5CM A 7 9.933 4.071 2.306 1.00 1.61 C HETATM 206 O4' 5CM A 7 8.819 3.143 2.338 1.00 1.69 O HETATM 207 O3' 5CM A 7 9.616 5.550 4.213 1.00 1.41 O HETATM 208 C5' 5CM A 7 11.061 3.464 1.504 1.00 1.82 C HETATM 209 O5' 5CM A 7 10.552 2.843 0.321 1.00 1.61 O HETATM 210 P 5CM A 7 11.340 1.646 -0.376 1.00 1.55 P HETATM 211 OP1 5CM A 7 12.594 2.194 -0.952 1.00 1.71 O HETATM 212 OP2 5CM A 7 11.409 0.513 0.583 1.00 1.53 O HETATM 0 HN42 5CM A 7 7.507 -3.207 3.474 1.00 1.11 H new HETATM 0 HN41 5CM A 7 6.056 -2.704 4.346 1.00 1.11 H new HETATM 0 H5A3 5CM A 7 9.657 -2.486 3.551 1.00 1.21 H new HETATM 0 H5A2 5CM A 7 8.820 -2.436 1.981 1.00 1.21 H new HETATM 0 H5A1 5CM A 7 10.247 -1.411 2.261 1.00 1.21 H new HETATM 0 H5'' 5CM A 7 11.782 4.236 1.236 1.00 1.82 H new HETATM 0 H2'' 5CM A 7 9.486 3.370 5.535 1.00 1.32 H new HETATM 0 H6 5CM A 7 9.845 0.724 2.665 1.00 1.28 H new HETATM 0 H5' 5CM A 7 11.592 2.729 2.109 1.00 1.82 H new HETATM 0 H4' 5CM A 7 9.709 5.016 1.811 1.00 1.61 H new HETATM 0 H3' 5CM A 7 11.341 4.520 3.936 1.00 1.39 H new HETATM 0 H2' 5CM A 7 10.453 2.325 4.513 1.00 1.32 H new HETATM 0 H1' 5CM A 7 7.662 3.356 4.100 1.00 1.39 H new ATOM 226 P DG A 8 10.304 6.473 5.337 1.00 1.37 P ATOM 227 OP1 DG A 8 10.904 7.652 4.664 1.00 1.60 O ATOM 228 OP2 DG A 8 11.157 5.596 6.180 1.00 1.37 O ATOM 229 O5' DG A 8 9.084 6.974 6.232 1.00 1.35 O ATOM 230 C5' DG A 8 7.795 7.207 5.661 1.00 1.56 C ATOM 231 C4' DG A 8 6.731 7.149 6.732 1.00 1.58 C ATOM 232 O4' DG A 8 6.276 5.780 6.866 1.00 1.39 O ATOM 233 C3' DG A 8 7.191 7.576 8.125 1.00 1.61 C ATOM 234 O3' DG A 8 6.130 8.238 8.822 1.00 1.96 O ATOM 235 C2' DG A 8 7.538 6.261 8.799 1.00 1.29 C ATOM 236 C1' DG A 8 6.560 5.285 8.166 1.00 1.16 C ATOM 237 N9 DG A 8 7.070 3.925 8.022 1.00 0.92 N ATOM 238 C8 DG A 8 8.344 3.554 7.671 1.00 0.89 C ATOM 239 N7 DG A 8 8.509 2.262 7.616 1.00 0.79 N ATOM 240 C5 DG A 8 7.266 1.744 7.954 1.00 0.72 C ATOM 241 C6 DG A 8 6.830 0.398 8.065 1.00 0.75 C ATOM 242 O6 DG A 8 7.477 -0.638 7.883 1.00 0.88 O ATOM 243 N1 DG A 8 5.491 0.322 8.429 1.00 0.74 N ATOM 244 C2 DG A 8 4.676 1.401 8.661 1.00 0.76 C ATOM 245 N2 DG A 8 3.413 1.120 9.003 1.00 0.85 N ATOM 246 N3 DG A 8 5.067 2.660 8.565 1.00 0.83 N ATOM 247 C4 DG A 8 6.366 2.758 8.209 1.00 0.79 C ATOM 0 H5' DG A 8 7.589 6.461 4.893 1.00 1.56 H new ATOM 0 H5'' DG A 8 7.776 8.181 5.172 1.00 1.56 H new ATOM 0 H4' DG A 8 5.961 7.847 6.403 1.00 1.58 H new ATOM 0 H3' DG A 8 8.025 8.277 8.105 1.00 1.61 H new ATOM 0 H2' DG A 8 8.573 5.973 8.614 1.00 1.29 H new ATOM 0 H2'' DG A 8 7.411 6.316 9.880 1.00 1.29 H new ATOM 0 H1' DG A 8 5.691 5.220 8.821 1.00 1.16 H new ATOM 0 H8 DG A 8 9.132 4.262 7.461 1.00 0.89 H new ATOM 0 H1 DG A 8 5.083 -0.607 8.532 1.00 0.74 H new ATOM 0 H21 DG A 8 2.755 1.877 9.189 1.00 0.85 H new ATOM 0 H22 DG A 8 3.109 0.149 9.077 1.00 0.85 H new HETATM 259 N1 5CM A 9 6.825 4.067 12.159 1.00 1.29 N HETATM 260 C2 5CM A 9 6.591 2.701 11.980 1.00 1.10 C HETATM 261 N3 5CM A 9 7.509 1.950 11.330 1.00 1.04 N HETATM 262 C4 5CM A 9 8.625 2.516 10.868 1.00 1.13 C HETATM 263 C5 5CM A 9 8.890 3.908 11.033 1.00 1.28 C HETATM 264 C5A 5CM A 9 10.103 4.384 10.710 1.00 1.44 C HETATM 265 C6 5CM A 9 7.970 4.639 11.677 1.00 1.37 C HETATM 266 O2 5CM A 9 5.544 2.210 12.425 1.00 1.07 O HETATM 267 N4 5CM A 9 9.503 1.734 10.237 1.00 1.16 N HETATM 268 C1' 5CM A 9 5.819 4.869 12.876 1.00 1.48 C HETATM 269 C2' 5CM A 9 6.369 5.914 13.823 1.00 1.79 C HETATM 270 C3' 5CM A 9 5.210 6.893 13.918 1.00 2.03 C HETATM 271 C4' 5CM A 9 4.499 6.756 12.566 1.00 1.92 C HETATM 272 O4' 5CM A 9 5.076 5.594 11.922 1.00 1.61 O HETATM 273 O3' 5CM A 9 4.324 6.520 14.980 1.00 2.11 O HETATM 274 C5' 5CM A 9 4.646 7.944 11.643 1.00 2.16 C HETATM 275 O5' 5CM A 9 6.024 8.168 11.342 1.00 2.16 O HETATM 276 P 5CM A 9 6.457 9.111 10.133 1.00 2.23 P HETATM 277 OP1 5CM A 9 5.548 10.286 10.117 1.00 2.67 O HETATM 278 OP2 5CM A 9 7.925 9.323 10.214 1.00 2.19 O HETATM 0 HN42 5CM A 9 10.368 2.131 9.870 1.00 1.16 H new HETATM 0 HN41 5CM A 9 9.309 0.739 10.122 1.00 1.16 H new HETATM 0 H5A3 5CM A 9 10.861 3.889 11.316 1.00 1.44 H new HETATM 0 H5A2 5CM A 9 10.300 4.193 9.655 1.00 1.44 H new HETATM 0 H5A1 5CM A 9 10.134 5.458 10.896 1.00 1.44 H new HETATM 0 H5'' 5CM A 9 4.089 7.769 10.722 1.00 2.16 H new HETATM 0 H2'' 5CM A 9 6.626 5.490 14.794 1.00 1.79 H new HETATM 0 H6 5CM A 9 8.137 5.707 11.819 1.00 1.37 H new HETATM 0 H5' 5CM A 9 4.219 8.832 12.110 1.00 2.16 H new HETATM 0 H4' 5CM A 9 3.429 6.675 12.760 1.00 1.92 H new HETATM 0 H3' 5CM A 9 5.538 7.912 14.126 1.00 2.03 H new HETATM 0 H2' 5CM A 9 7.271 6.385 13.432 1.00 1.79 H new HETATM 0 H1' 5CM A 9 5.251 4.148 13.464 1.00 1.48 H new ATOM 292 P DG A 10 4.666 6.939 16.495 1.00 2.42 P ATOM 293 OP1 DG A 10 3.685 7.968 16.926 1.00 2.69 O ATOM 294 OP2 DG A 10 6.120 7.237 16.568 1.00 2.50 O ATOM 295 O5' DG A 10 4.397 5.609 17.331 1.00 2.37 O ATOM 296 C5' DG A 10 3.086 5.046 17.414 1.00 2.30 C ATOM 297 C4' DG A 10 3.150 3.654 18.001 1.00 2.26 C ATOM 298 O4' DG A 10 3.765 2.767 17.035 1.00 2.01 O ATOM 299 C3' DG A 10 3.979 3.525 19.280 1.00 2.53 C ATOM 300 O3' DG A 10 3.380 2.585 20.176 1.00 2.62 O ATOM 301 C2' DG A 10 5.316 3.006 18.783 1.00 2.47 C ATOM 302 C1' DG A 10 4.916 2.154 17.593 1.00 2.13 C ATOM 303 N9 DG A 10 5.928 2.064 16.544 1.00 2.02 N ATOM 304 C8 DG A 10 6.593 3.106 15.947 1.00 2.09 C ATOM 305 N7 DG A 10 7.443 2.720 15.036 1.00 2.02 N ATOM 306 C5 DG A 10 7.334 1.336 15.031 1.00 1.89 C ATOM 307 C6 DG A 10 8.010 0.362 14.250 1.00 1.85 C ATOM 308 O6 DG A 10 8.867 0.535 13.375 1.00 1.92 O ATOM 309 N1 DG A 10 7.598 -0.927 14.570 1.00 1.80 N ATOM 310 C2 DG A 10 6.654 -1.239 15.517 1.00 1.78 C ATOM 311 N2 DG A 10 6.390 -2.540 15.679 1.00 1.79 N ATOM 312 N3 DG A 10 6.016 -0.344 16.250 1.00 1.82 N ATOM 313 C4 DG A 10 6.403 0.915 15.957 1.00 1.88 C ATOM 0 H5' DG A 10 2.635 5.010 16.422 1.00 2.30 H new ATOM 0 H5'' DG A 10 2.449 5.680 18.031 1.00 2.30 H new ATOM 0 H4' DG A 10 2.118 3.404 18.246 1.00 2.26 H new ATOM 0 H3' DG A 10 4.061 4.462 19.830 1.00 2.53 H new ATOM 0 H2' DG A 10 5.984 3.817 18.495 1.00 2.47 H new ATOM 0 H2'' DG A 10 5.833 2.422 19.544 1.00 2.47 H new ATOM 0 HO3' DG A 10 3.925 2.514 20.988 1.00 2.62 H new ATOM 0 H1' DG A 10 4.758 1.137 17.950 1.00 2.13 H new ATOM 0 H8 DG A 10 6.429 4.142 16.206 1.00 2.09 H new ATOM 0 H1 DG A 10 8.030 -1.699 14.063 1.00 1.80 H new ATOM 0 H21 DG A 10 5.698 -2.838 16.367 1.00 1.79 H new ATOM 0 H22 DG A 10 6.880 -3.234 15.115 1.00 1.79 H new TER 326 DG A 10 HETATM 327 N1 5CM B 11 9.996 -5.260 13.878 1.00 2.28 N HETATM 328 C2 5CM B 11 9.016 -4.267 13.977 1.00 2.07 C HETATM 329 N3 5CM B 11 9.353 -2.978 13.738 1.00 2.00 N HETATM 330 C4 5CM B 11 10.609 -2.667 13.412 1.00 2.13 C HETATM 331 C5 5CM B 11 11.629 -3.659 13.305 1.00 2.35 C HETATM 332 C5A 5CM B 11 12.826 -3.313 12.806 1.00 2.50 C HETATM 333 C6 5CM B 11 11.281 -4.931 13.545 1.00 2.42 C HETATM 334 O2 5CM B 11 7.860 -4.592 14.283 1.00 1.98 O HETATM 335 N4 5CM B 11 10.893 -1.384 13.186 1.00 2.11 N HETATM 336 C1' 5CM B 11 9.621 -6.660 14.137 1.00 2.42 C HETATM 337 C2' 5CM B 11 9.741 -7.575 12.929 1.00 2.52 C HETATM 338 C3' 5CM B 11 10.118 -8.907 13.550 1.00 2.86 C HETATM 339 C4' 5CM B 11 10.948 -8.504 14.768 1.00 3.04 C HETATM 340 O4' 5CM B 11 10.504 -7.173 15.125 1.00 2.76 O HETATM 341 O3' 5CM B 11 8.950 -9.628 13.962 1.00 2.80 O HETATM 342 C5' 5CM B 11 12.442 -8.475 14.540 1.00 3.35 C HETATM 343 O5' 5CM B 11 12.998 -9.791 14.613 1.00 3.65 O HETATM 0 HN42 5CM B 11 11.842 -1.108 12.935 1.00 2.11 H new HETATM 0 HN41 5CM B 11 10.161 -0.678 13.265 1.00 2.11 H new HETATM 0 H5A3 5CM B 11 12.702 -2.939 11.790 1.00 2.50 H new HETATM 0 H5A2 5CM B 11 13.268 -2.534 13.428 1.00 2.50 H new HETATM 0 H5A1 5CM B 11 13.481 -4.184 12.795 1.00 2.50 H new HETATM 0 H5'' 5CM B 11 12.656 -8.040 13.564 1.00 3.35 H new HETATM 0 H2'' 5CM B 11 8.804 -7.638 12.375 1.00 2.52 H new HETATM 0 H6 5CM B 11 12.034 -5.716 13.474 1.00 2.42 H new HETATM 0 H5' 5CM B 11 12.915 -7.835 15.285 1.00 3.35 H new HETATM 0 H4' 5CM B 11 10.794 -9.252 15.546 1.00 3.04 H new HETATM 0 H3' 5CM B 11 10.650 -9.560 12.859 1.00 2.86 H new HETATM 0 H2' 5CM B 11 10.501 -7.225 12.231 1.00 2.52 H new HETATM 0 H1' 5CM B 11 8.574 -6.647 14.439 1.00 2.42 H new ATOM 357 P DG B 12 7.986 -10.287 12.856 1.00 2.79 P ATOM 358 OP1 DG B 12 7.250 -11.394 13.517 1.00 3.05 O ATOM 359 OP2 DG B 12 8.784 -10.563 11.635 1.00 2.96 O ATOM 360 O5' DG B 12 6.941 -9.132 12.520 1.00 2.32 O ATOM 361 C5' DG B 12 6.076 -8.608 13.529 1.00 2.16 C ATOM 362 C4' DG B 12 5.140 -7.581 12.936 1.00 1.86 C ATOM 363 O4' DG B 12 5.826 -6.308 12.884 1.00 1.66 O ATOM 364 C3' DG B 12 4.667 -7.877 11.507 1.00 1.85 C ATOM 365 O3' DG B 12 3.235 -7.847 11.457 1.00 1.82 O ATOM 366 C2' DG B 12 5.263 -6.756 10.668 1.00 1.66 C ATOM 367 C1' DG B 12 5.509 -5.653 11.676 1.00 1.46 C ATOM 368 N9 DG B 12 6.615 -4.758 11.349 1.00 1.38 N ATOM 369 C8 DG B 12 7.881 -5.114 10.952 1.00 1.55 C ATOM 370 N7 DG B 12 8.660 -4.090 10.737 1.00 1.47 N ATOM 371 C5 DG B 12 7.859 -2.988 11.006 1.00 1.23 C ATOM 372 C6 DG B 12 8.153 -1.600 10.948 1.00 1.12 C ATOM 373 O6 DG B 12 9.215 -1.050 10.637 1.00 1.21 O ATOM 374 N1 DG B 12 7.051 -0.829 11.303 1.00 0.97 N ATOM 375 C2 DG B 12 5.824 -1.328 11.663 1.00 0.92 C ATOM 376 N2 DG B 12 4.885 -0.427 11.967 1.00 0.88 N ATOM 377 N3 DG B 12 5.537 -2.616 11.721 1.00 1.01 N ATOM 378 C4 DG B 12 6.593 -3.384 11.383 1.00 1.17 C ATOM 0 H5' DG B 12 6.667 -8.155 14.325 1.00 2.16 H new ATOM 0 H5'' DG B 12 5.501 -9.417 13.980 1.00 2.16 H new ATOM 0 H4' DG B 12 4.261 -7.589 13.580 1.00 1.86 H new ATOM 0 H3' DG B 12 4.976 -8.859 11.150 1.00 1.85 H new ATOM 0 H2' DG B 12 6.187 -7.067 10.180 1.00 1.66 H new ATOM 0 H2'' DG B 12 4.579 -6.436 9.882 1.00 1.66 H new ATOM 0 H1' DG B 12 4.619 -5.024 11.712 1.00 1.46 H new ATOM 0 H8 DG B 12 8.199 -6.139 10.830 1.00 1.55 H new ATOM 0 H1 DG B 12 7.163 0.185 11.295 1.00 0.97 H new ATOM 0 H21 DG B 12 3.952 -0.735 12.242 1.00 0.88 H new ATOM 0 H22 DG B 12 5.101 0.569 11.924 1.00 0.88 H new HETATM 390 N1 5CM B 13 2.423 -3.636 8.594 1.00 1.24 N HETATM 391 C2 5CM B 13 2.906 -2.334 8.416 1.00 1.05 C HETATM 392 N3 5CM B 13 4.162 -2.153 7.949 1.00 1.01 N HETATM 393 C4 5CM B 13 4.926 -3.210 7.661 1.00 1.18 C HETATM 394 C5 5CM B 13 4.459 -4.548 7.831 1.00 1.39 C HETATM 395 C5A 5CM B 13 5.195 -5.561 7.349 1.00 1.61 C HETATM 396 C6 5CM B 13 3.213 -4.712 8.297 1.00 1.40 C HETATM 397 O2 5CM B 13 2.169 -1.376 8.694 1.00 1.00 O HETATM 398 N4 5CM B 13 6.157 -2.981 7.202 1.00 1.20 N HETATM 399 C1' 5CM B 13 1.054 -3.826 9.104 1.00 1.34 C HETATM 400 C2' 5CM B 13 0.193 -4.765 8.281 1.00 1.57 C HETATM 401 C3' 5CM B 13 -0.763 -5.333 9.315 1.00 1.65 C HETATM 402 C4' 5CM B 13 0.058 -5.338 10.605 1.00 1.56 C HETATM 403 O4' 5CM B 13 1.149 -4.408 10.393 1.00 1.43 O HETATM 404 O3' 5CM B 13 -1.909 -4.488 9.463 1.00 1.64 O HETATM 405 C5' 5CM B 13 0.630 -6.682 10.992 1.00 1.75 C HETATM 406 O5' 5CM B 13 1.352 -7.248 9.896 1.00 1.78 O HETATM 407 P 5CM B 13 2.467 -8.360 10.139 1.00 1.97 P HETATM 408 OP1 5CM B 13 1.785 -9.638 10.464 1.00 2.32 O HETATM 409 OP2 5CM B 13 3.421 -8.307 9.002 1.00 2.02 O HETATM 0 HN42 5CM B 13 6.769 -3.764 6.971 1.00 1.20 H new HETATM 0 HN41 5CM B 13 6.486 -2.023 7.082 1.00 1.20 H new HETATM 0 H5A3 5CM B 13 5.309 -5.447 6.271 1.00 1.61 H new HETATM 0 H5A2 5CM B 13 6.178 -5.553 7.821 1.00 1.61 H new HETATM 0 H5A1 5CM B 13 4.697 -6.507 7.563 1.00 1.61 H new HETATM 0 H5'' 5CM B 13 1.290 -6.570 11.852 1.00 1.75 H new HETATM 0 H2'' 5CM B 13 -0.336 -4.238 7.487 1.00 1.57 H new HETATM 0 H6 5CM B 13 2.823 -5.720 8.442 1.00 1.40 H new HETATM 0 H5' 5CM B 13 -0.174 -7.354 11.293 1.00 1.75 H new HETATM 0 H4' 5CM B 13 -0.606 -5.065 11.425 1.00 1.56 H new HETATM 0 H3' 5CM B 13 -1.139 -6.319 9.042 1.00 1.65 H new HETATM 0 H2' 5CM B 13 0.786 -5.546 7.805 1.00 1.57 H new HETATM 0 H1' 5CM B 13 0.586 -2.842 9.082 1.00 1.34 H new ATOM 423 P DG B 14 -3.160 -4.653 8.465 1.00 1.86 P ATOM 424 OP1 DG B 14 -4.293 -5.228 9.233 1.00 2.12 O ATOM 425 OP2 DG B 14 -2.678 -5.344 7.241 1.00 2.03 O ATOM 426 O5' DG B 14 -3.536 -3.157 8.067 1.00 1.78 O ATOM 427 C5' DG B 14 -3.063 -2.047 8.833 1.00 1.71 C ATOM 428 C4' DG B 14 -2.654 -0.919 7.915 1.00 1.57 C ATOM 429 O4' DG B 14 -1.258 -1.084 7.564 1.00 1.42 O ATOM 430 C3' DG B 14 -3.427 -0.859 6.593 1.00 1.57 C ATOM 431 O3' DG B 14 -3.868 0.479 6.334 1.00 1.61 O ATOM 432 C2' DG B 14 -2.410 -1.294 5.551 1.00 1.51 C ATOM 433 C1' DG B 14 -1.096 -0.879 6.176 1.00 1.40 C ATOM 434 N9 DG B 14 0.068 -1.645 5.740 1.00 1.30 N ATOM 435 C8 DG B 14 0.114 -2.985 5.442 1.00 1.31 C ATOM 436 N7 DG B 14 1.299 -3.391 5.077 1.00 1.23 N ATOM 437 C5 DG B 14 2.086 -2.248 5.138 1.00 1.17 C ATOM 438 C6 DG B 14 3.465 -2.065 4.854 1.00 1.13 C ATOM 439 O6 DG B 14 4.292 -2.903 4.480 1.00 1.12 O ATOM 440 N1 DG B 14 3.856 -0.744 5.047 1.00 1.15 N ATOM 441 C2 DG B 14 3.028 0.270 5.459 1.00 1.19 C ATOM 442 N2 DG B 14 3.589 1.477 5.588 1.00 1.24 N ATOM 443 N3 DG B 14 1.742 0.114 5.727 1.00 1.22 N ATOM 444 C4 DG B 14 1.341 -1.162 5.546 1.00 1.22 C ATOM 0 H5' DG B 14 -2.215 -2.353 9.446 1.00 1.71 H new ATOM 0 H5'' DG B 14 -3.843 -1.707 9.515 1.00 1.71 H new ATOM 0 H4' DG B 14 -2.864 -0.004 8.469 1.00 1.57 H new ATOM 0 H3' DG B 14 -4.319 -1.486 6.597 1.00 1.57 H new ATOM 0 H2' DG B 14 -2.451 -2.368 5.369 1.00 1.51 H new ATOM 0 H2'' DG B 14 -2.576 -0.802 4.593 1.00 1.51 H new ATOM 0 H1' DG B 14 -0.893 0.150 5.880 1.00 1.40 H new ATOM 0 H8 DG B 14 -0.745 -3.637 5.504 1.00 1.31 H new ATOM 0 H1 DG B 14 4.833 -0.511 4.869 1.00 1.15 H new ATOM 0 H21 DG B 14 3.026 2.272 5.891 1.00 1.24 H new ATOM 0 H22 DG B 14 4.580 1.603 5.384 1.00 1.24 H new HETATM 456 P 0DC B 15 -5.383 0.745 5.859 1.00 1.92 P HETATM 457 OP1 0DC B 15 -6.029 1.639 6.854 1.00 2.40 O HETATM 458 OP2 0DC B 15 -6.006 -0.565 5.539 1.00 2.39 O HETATM 459 O5' 0DC B 15 -5.221 1.556 4.497 1.00 1.80 O HETATM 460 C5' 0DC B 15 -4.771 0.910 3.304 1.00 1.67 C HETATM 461 C4' 0DC B 15 -3.793 1.795 2.567 1.00 1.62 C HETATM 462 O4' 0DC B 15 -2.940 0.963 1.743 1.00 1.49 O HETATM 463 C3' 0DC B 15 -2.852 2.603 3.462 1.00 1.68 C HETATM 464 O3' 0DC B 15 -2.592 3.887 2.883 1.00 1.72 O HETATM 465 C2' 0DC B 15 -1.586 1.767 3.490 1.00 1.57 C HETATM 466 C1' 0DC B 15 -1.580 1.131 2.113 1.00 1.45 C HETATM 467 N1 0DC B 15 -0.927 -0.187 2.057 1.00 1.36 N HETATM 468 C2 0DC B 15 0.415 -0.259 1.673 1.00 1.29 C HETATM 469 O2 0DC B 15 1.014 0.787 1.389 1.00 1.32 O HETATM 470 N3 0DC B 15 1.024 -1.465 1.624 1.00 1.23 N HETATM 471 C4 0DC B 15 0.343 -2.569 1.940 1.00 1.24 C HETATM 472 N4 0DC B 15 0.985 -3.735 1.885 1.00 1.20 N HETATM 473 C5 0DC B 15 -1.026 -2.524 2.332 1.00 1.33 C HETATM 474 C6 0DC B 15 -1.615 -1.324 2.376 1.00 1.39 C HETATM 0 H5'' 0DC B 15 -4.297 -0.039 3.553 1.00 1.67 H new HETATM 0 H2'' 0DC B 15 -0.700 2.379 3.658 1.00 1.57 H new HETATM 0 H6 0DC B 15 -2.662 -1.252 2.671 1.00 1.39 H new HETATM 0 H5' 0DC B 15 -5.622 0.683 2.662 1.00 1.67 H new HETATM 0 H5 0DC B 15 -1.572 -3.432 2.586 1.00 1.33 H new HETATM 0 H42 0DC B 15 0.495 -4.598 2.120 1.00 1.20 H new HETATM 0 H41 0DC B 15 1.966 -3.764 1.608 1.00 1.20 H new HETATM 0 H4' 0DC B 15 -4.411 2.497 2.007 1.00 1.62 H new HETATM 0 H3' 0DC B 15 -3.262 2.790 4.455 1.00 1.68 H new HETATM 0 H2' 0DC B 15 -1.612 1.019 4.282 1.00 1.57 H new HETATM 0 H1' 0DC B 15 -1.013 1.781 1.447 1.00 1.45 H new HETATM 486 P 0DG B 16 -2.833 5.222 3.747 1.00 1.94 P HETATM 487 OP1 0DG B 16 -1.697 6.144 3.491 1.00 2.03 O HETATM 488 OP2 0DG B 16 -3.153 4.825 5.143 1.00 2.06 O HETATM 489 O5' 0DG B 16 -4.141 5.864 3.103 1.00 1.92 O HETATM 490 C5' 0DG B 16 -4.328 5.891 1.686 1.00 1.77 C HETATM 491 C4' 0DG B 16 -5.798 6.014 1.358 1.00 1.72 C HETATM 492 O4' 0DG B 16 -6.425 4.720 1.533 1.00 1.67 O HETATM 493 C3' 0DG B 16 -6.112 6.431 -0.079 1.00 1.64 C HETATM 494 O3' 0DG B 16 -7.311 7.220 -0.101 1.00 1.71 O HETATM 495 C2' 0DG B 16 -6.301 5.098 -0.780 1.00 1.52 C HETATM 496 C1' 0DG B 16 -6.976 4.277 0.303 1.00 1.55 C HETATM 497 N9 0DG B 16 -6.764 2.835 0.211 1.00 1.48 N HETATM 498 C8 0DG B 16 -7.645 1.852 0.589 1.00 1.48 C HETATM 499 N7 0DG B 16 -7.185 0.646 0.398 1.00 1.44 N HETATM 500 C5 0DG B 16 -5.920 0.843 -0.139 1.00 1.40 C HETATM 501 C6 0DG B 16 -4.942 -0.097 -0.549 1.00 1.35 C HETATM 502 O6 0DG B 16 -5.000 -1.331 -0.516 1.00 1.35 O HETATM 503 N1 0DG B 16 -3.801 0.530 -1.036 1.00 1.34 N HETATM 504 C2 0DG B 16 -3.624 1.888 -1.119 1.00 1.37 C HETATM 505 N2 0DG B 16 -2.453 2.300 -1.619 1.00 1.37 N HETATM 506 N3 0DG B 16 -4.527 2.777 -0.741 1.00 1.43 N HETATM 507 C4 0DG B 16 -5.644 2.188 -0.263 1.00 1.43 C HETATM 0 H5'' 0DG B 16 -3.780 6.729 1.255 1.00 1.77 H new HETATM 0 H2'' 0DG B 16 -6.921 5.188 -1.672 1.00 1.52 H new HETATM 0 H8 0DG B 16 -8.630 2.059 1.007 1.00 1.48 H new HETATM 0 H5' 0DG B 16 -3.923 4.982 1.241 1.00 1.77 H new HETATM 0 H4' 0DG B 16 -6.169 6.792 2.025 1.00 1.72 H new HETATM 0 H3' 0DG B 16 -5.343 7.044 -0.550 1.00 1.64 H new HETATM 0 H22 0DG B 16 -2.259 3.297 -1.707 1.00 1.37 H new HETATM 0 H21 0DG B 16 -1.755 1.617 -1.912 1.00 1.37 H new HETATM 0 H2' 0DG B 16 -5.353 4.662 -1.094 1.00 1.52 H new HETATM 0 H1' 0DG B 16 -8.051 4.424 0.204 1.00 1.55 H new HETATM 0 H1 0DG B 16 -3.037 -0.065 -1.356 1.00 1.34 H new HETATM 519 N1 5CM B 17 -6.067 4.210 -4.708 1.00 1.27 N HETATM 520 C2 5CM B 17 -5.260 3.075 -4.843 1.00 1.25 C HETATM 521 N3 5CM B 17 -5.651 1.914 -4.269 1.00 1.24 N HETATM 522 C4 5CM B 17 -6.795 1.861 -3.584 1.00 1.25 C HETATM 523 C5 5CM B 17 -7.635 3.003 -3.428 1.00 1.28 C HETATM 524 C5A 5CM B 17 -8.842 2.855 -2.860 1.00 1.30 C HETATM 525 C6 5CM B 17 -7.235 4.146 -4.001 1.00 1.28 C HETATM 526 O2 5CM B 17 -4.205 3.162 -5.487 1.00 1.26 O HETATM 527 N4 5CM B 17 -7.140 0.693 -3.041 1.00 1.28 N HETATM 528 C1' 5CM B 17 -5.638 5.468 -5.340 1.00 1.32 C HETATM 529 C2' 5CM B 17 -6.645 6.070 -6.302 1.00 1.32 C HETATM 530 C3' 5CM B 17 -6.310 7.547 -6.222 1.00 1.44 C HETATM 531 C4' 5CM B 17 -5.906 7.732 -4.760 1.00 1.54 C HETATM 532 O4' 5CM B 17 -5.450 6.431 -4.313 1.00 1.43 O HETATM 533 O3' 5CM B 17 -5.214 7.862 -7.088 1.00 1.48 O HETATM 534 C5' 5CM B 17 -7.019 8.209 -3.856 1.00 1.74 C HETATM 535 O5' 5CM B 17 -6.796 7.767 -2.516 1.00 1.61 O HETATM 536 P 5CM B 17 -8.012 7.584 -1.502 1.00 1.66 P HETATM 537 OP1 5CM B 17 -8.690 8.897 -1.350 1.00 1.83 O HETATM 538 OP2 5CM B 17 -8.800 6.398 -1.928 1.00 1.57 O HETATM 0 HN42 5CM B 17 -8.007 0.614 -2.510 1.00 1.28 H new HETATM 0 HN41 5CM B 17 -6.536 -0.121 -3.156 1.00 1.28 H new HETATM 0 H5A3 5CM B 17 -9.438 2.158 -3.449 1.00 1.30 H new HETATM 0 H5A2 5CM B 17 -8.723 2.466 -1.849 1.00 1.30 H new HETATM 0 H5A1 5CM B 17 -9.346 3.821 -2.820 1.00 1.30 H new HETATM 0 H5'' 5CM B 17 -7.076 9.297 -3.882 1.00 1.74 H new HETATM 0 H2'' 5CM B 17 -6.528 5.679 -7.313 1.00 1.32 H new HETATM 0 H6 5CM B 17 -7.851 5.040 -3.902 1.00 1.28 H new HETATM 0 H5' 5CM B 17 -7.976 7.831 -4.216 1.00 1.74 H new HETATM 0 H4' 5CM B 17 -5.146 8.511 -4.704 1.00 1.54 H new HETATM 0 H3' 5CM B 17 -7.134 8.192 -6.527 1.00 1.44 H new HETATM 0 H2' 5CM B 17 -7.672 5.867 -5.998 1.00 1.32 H new HETATM 0 H1' 5CM B 17 -4.738 5.227 -5.907 1.00 1.32 H new ATOM 552 P DG B 18 -5.402 8.963 -8.245 1.00 1.47 P ATOM 553 OP1 DG B 18 -5.290 10.299 -7.607 1.00 1.73 O ATOM 554 OP2 DG B 18 -6.620 8.622 -9.023 1.00 1.44 O ATOM 555 O5' DG B 18 -4.134 8.757 -9.189 1.00 1.41 O ATOM 556 C5' DG B 18 -2.860 8.400 -8.648 1.00 1.57 C ATOM 557 C4' DG B 18 -2.165 7.410 -9.555 1.00 1.59 C ATOM 558 O4' DG B 18 -2.565 6.070 -9.177 1.00 1.37 O ATOM 559 C3' DG B 18 -2.500 7.545 -11.040 1.00 1.66 C ATOM 560 O3' DG B 18 -1.351 7.244 -11.839 1.00 1.92 O ATOM 561 C2' DG B 18 -3.585 6.507 -11.252 1.00 1.42 C ATOM 562 C1' DG B 18 -3.209 5.419 -10.262 1.00 1.26 C ATOM 563 N9 DG B 18 -4.340 4.670 -9.723 1.00 1.00 N ATOM 564 C8 DG B 18 -5.588 5.157 -9.424 1.00 0.94 C ATOM 565 N7 DG B 18 -6.397 4.248 -8.953 1.00 0.81 N ATOM 566 C5 DG B 18 -5.635 3.087 -8.938 1.00 0.74 C ATOM 567 C6 DG B 18 -5.972 1.771 -8.526 1.00 0.70 C ATOM 568 O6 DG B 18 -7.046 1.354 -8.079 1.00 0.79 O ATOM 569 N1 DG B 18 -4.900 0.899 -8.677 1.00 0.69 N ATOM 570 C2 DG B 18 -3.665 1.244 -9.164 1.00 0.76 C ATOM 571 N2 DG B 18 -2.763 0.258 -9.238 1.00 0.82 N ATOM 572 N3 DG B 18 -3.337 2.465 -9.551 1.00 0.89 N ATOM 573 C4 DG B 18 -4.363 3.331 -9.412 1.00 0.85 C ATOM 0 H5' DG B 18 -2.987 7.968 -7.655 1.00 1.57 H new ATOM 0 H5'' DG B 18 -2.244 9.292 -8.531 1.00 1.57 H new ATOM 0 H4' DG B 18 -1.101 7.613 -9.432 1.00 1.59 H new ATOM 0 H3' DG B 18 -2.813 8.551 -11.320 1.00 1.66 H new ATOM 0 H2' DG B 18 -4.577 6.912 -11.050 1.00 1.42 H new ATOM 0 H2'' DG B 18 -3.595 6.136 -12.277 1.00 1.42 H new ATOM 0 H1' DG B 18 -2.587 4.695 -10.788 1.00 1.26 H new ATOM 0 H8 DG B 18 -5.872 6.189 -9.565 1.00 0.94 H new ATOM 0 H1 DG B 18 -5.043 -0.073 -8.404 1.00 0.69 H new ATOM 0 H21 DG B 18 -1.826 0.450 -9.592 1.00 0.82 H new ATOM 0 H22 DG B 18 -3.013 -0.685 -8.941 1.00 0.82 H new HETATM 585 N1 5CM B 19 -4.408 3.505 -13.811 1.00 1.40 N HETATM 586 C2 5CM B 19 -5.041 2.392 -13.249 1.00 1.19 C HETATM 587 N3 5CM B 19 -6.180 2.564 -12.540 1.00 1.06 N HETATM 588 C4 5CM B 19 -6.689 3.788 -12.386 1.00 1.12 C HETATM 589 C5 5CM B 19 -6.066 4.941 -12.949 1.00 1.30 C HETATM 590 C5A 5CM B 19 -6.710 6.119 -12.905 1.00 1.35 C HETATM 591 C6 5CM B 19 -4.937 4.755 -13.646 1.00 1.44 C HETATM 592 O2 5CM B 19 -4.540 1.270 -13.415 1.00 1.17 O HETATM 593 N4 5CM B 19 -7.814 3.909 -11.680 1.00 1.10 N HETATM 594 C1' 5CM B 19 -3.168 3.305 -14.580 1.00 1.64 C HETATM 595 C2' 5CM B 19 -3.108 4.028 -15.908 1.00 1.96 C HETATM 596 C3' 5CM B 19 -1.613 4.195 -16.130 1.00 2.17 C HETATM 597 C4' 5CM B 19 -1.016 4.176 -14.718 1.00 2.01 C HETATM 598 O4' 5CM B 19 -2.099 3.826 -13.823 1.00 1.68 O HETATM 599 O3' 5CM B 19 -1.097 3.102 -16.899 1.00 2.28 O HETATM 600 C5' 5CM B 19 -0.417 5.485 -14.261 1.00 2.19 C HETATM 601 O5' 5CM B 19 -1.414 6.509 -14.251 1.00 2.16 O HETATM 602 P 5CM B 19 -1.249 7.807 -13.342 1.00 2.21 P HETATM 603 OP1 5CM B 19 0.124 8.338 -13.539 1.00 2.64 O HETATM 604 OP2 5CM B 19 -2.418 8.691 -13.588 1.00 2.15 O HETATM 0 HN42 5CM B 19 -8.232 4.829 -11.541 1.00 1.10 H new HETATM 0 HN41 5CM B 19 -8.256 3.082 -11.279 1.00 1.10 H new HETATM 0 H5A3 5CM B 19 -7.658 6.035 -13.436 1.00 1.35 H new HETATM 0 H5A2 5CM B 19 -6.899 6.392 -11.867 1.00 1.35 H new HETATM 0 H5A1 5CM B 19 -6.096 6.887 -13.376 1.00 1.35 H new HETATM 0 H5'' 5CM B 19 0.007 5.370 -13.263 1.00 2.19 H new HETATM 0 H2'' 5CM B 19 -3.574 3.449 -16.706 1.00 1.96 H new HETATM 0 H6 5CM B 19 -4.432 5.614 -14.089 1.00 1.44 H new HETATM 0 H5' 5CM B 19 0.400 5.770 -14.924 1.00 2.19 H new HETATM 0 H4' 5CM B 19 -0.190 3.465 -14.718 1.00 2.01 H new HETATM 0 H3' 5CM B 19 -1.372 5.107 -16.676 1.00 2.17 H new HETATM 0 H2' 5CM B 19 -3.622 4.989 -15.870 1.00 1.96 H new HETATM 0 H1' 5CM B 19 -3.120 2.234 -14.778 1.00 1.64 H new ATOM 618 P DG B 20 -1.209 3.128 -18.504 1.00 2.61 P ATOM 619 OP1 DG B 20 0.175 3.135 -19.044 1.00 2.88 O ATOM 620 OP2 DG B 20 -2.154 4.205 -18.895 1.00 2.75 O ATOM 621 O5' DG B 20 -1.877 1.728 -18.867 1.00 2.51 O ATOM 622 C5' DG B 20 -1.276 0.498 -18.459 1.00 2.36 C ATOM 623 C4' DG B 20 -2.262 -0.639 -18.600 1.00 2.27 C ATOM 624 O4' DG B 20 -3.299 -0.484 -17.600 1.00 2.01 O ATOM 625 C3' DG B 20 -2.983 -0.711 -19.947 1.00 2.58 C ATOM 626 O3' DG B 20 -3.176 -2.071 -20.344 1.00 2.62 O ATOM 627 C2' DG B 20 -4.318 -0.044 -19.670 1.00 2.55 C ATOM 628 C1' DG B 20 -4.572 -0.413 -18.220 1.00 2.17 C ATOM 629 N9 DG B 20 -5.378 0.552 -17.478 1.00 2.07 N ATOM 630 C8 DG B 20 -5.366 1.919 -17.611 1.00 2.16 C ATOM 631 N7 DG B 20 -6.200 2.522 -16.809 1.00 2.07 N ATOM 632 C5 DG B 20 -6.801 1.490 -16.101 1.00 1.91 C ATOM 633 C6 DG B 20 -7.794 1.526 -15.087 1.00 1.82 C ATOM 634 O6 DG B 20 -8.358 2.509 -14.596 1.00 1.84 O ATOM 635 N1 DG B 20 -8.118 0.249 -14.643 1.00 1.77 N ATOM 636 C2 DG B 20 -7.560 -0.914 -15.112 1.00 1.78 C ATOM 637 N2 DG B 20 -8.005 -2.047 -14.557 1.00 1.80 N ATOM 638 N3 DG B 20 -6.635 -0.963 -16.056 1.00 1.84 N ATOM 639 C4 DG B 20 -6.305 0.267 -16.502 1.00 1.91 C ATOM 0 H5' DG B 20 -0.943 0.574 -17.424 1.00 2.36 H new ATOM 0 H5'' DG B 20 -0.392 0.299 -19.064 1.00 2.36 H new ATOM 0 H4' DG B 20 -1.665 -1.545 -18.492 1.00 2.27 H new ATOM 0 H3' DG B 20 -2.426 -0.234 -20.753 1.00 2.58 H new ATOM 0 H2' DG B 20 -4.270 1.036 -19.812 1.00 2.55 H new ATOM 0 H2'' DG B 20 -5.103 -0.417 -20.328 1.00 2.55 H new ATOM 0 HO3' DG B 20 -3.640 -2.097 -21.207 1.00 2.62 H new ATOM 0 H1' DG B 20 -5.133 -1.347 -18.209 1.00 2.17 H new ATOM 0 H8 DG B 20 -4.730 2.442 -18.309 1.00 2.16 H new ATOM 0 H1 DG B 20 -8.825 0.170 -13.912 1.00 1.77 H new ATOM 0 H21 DG B 20 -7.630 -2.946 -14.862 1.00 1.80 H new ATOM 0 H22 DG B 20 -8.719 -2.012 -13.829 1.00 1.80 H new TER 652 DG B 20