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 -12.059 -1.272 -12.028 1.00 2.13 N HETATM 2 C2 5CM A 1 -10.915 -1.209 -12.831 1.00 1.97 C HETATM 3 N3 5CM A 1 -10.325 -0.011 -13.049 1.00 1.88 N HETATM 4 C4 5CM A 1 -10.833 1.093 -12.496 1.00 1.95 C HETATM 5 C5 5CM A 1 -11.994 1.056 -11.669 1.00 2.10 C HETATM 6 C5A 5CM A 1 -12.526 2.209 -11.232 1.00 2.19 C HETATM 7 C6 5CM A 1 -12.570 -0.136 -11.464 1.00 2.19 C HETATM 8 O2 5CM A 1 -10.469 -2.255 -13.325 1.00 1.95 O HETATM 9 N4 5CM A 1 -10.218 2.251 -12.739 1.00 1.93 N HETATM 10 C1' 5CM A 1 -12.703 -2.578 -11.806 1.00 2.30 C HETATM 11 C2' 5CM A 1 -12.959 -2.917 -10.345 1.00 2.37 C HETATM 12 C3' 5CM A 1 -14.278 -3.668 -10.385 1.00 2.71 C HETATM 13 C4' 5CM A 1 -15.006 -3.034 -11.567 1.00 2.87 C HETATM 14 O4' 5CM A 1 -13.969 -2.549 -12.452 1.00 2.62 O HETATM 15 O3' 5CM A 1 -14.063 -5.064 -10.624 1.00 2.74 O HETATM 16 C5' 5CM A 1 -15.923 -1.887 -11.212 1.00 3.06 C HETATM 17 O5' 5CM A 1 -17.166 -2.367 -10.688 1.00 3.49 O HETATM 0 HN42 5CM A 1 -10.578 3.115 -12.333 1.00 1.93 H new HETATM 0 HN41 5CM A 1 -9.387 2.273 -13.331 1.00 1.93 H new HETATM 0 H5A3 5CM A 1 -11.788 2.748 -10.638 1.00 2.19 H new HETATM 0 H5A2 5CM A 1 -12.821 2.820 -12.085 1.00 2.19 H new HETATM 0 H5A1 5CM A 1 -13.401 1.996 -10.618 1.00 2.19 H new HETATM 0 H5'' 5CM A 1 -15.439 -1.244 -10.477 1.00 3.06 H new HETATM 0 H2'' 5CM A 1 -12.160 -3.530 -9.929 1.00 2.37 H new HETATM 0 H6 5CM A 1 -13.460 -0.201 -10.838 1.00 2.19 H new HETATM 0 H5' 5CM A 1 -16.108 -1.278 -12.097 1.00 3.06 H new HETATM 0 H4' 5CM A 1 -15.658 -3.788 -12.009 1.00 2.87 H new HETATM 0 H3' 5CM A 1 -14.832 -3.602 -9.449 1.00 2.71 H new HETATM 0 H2' 5CM A 1 -13.026 -2.020 -9.730 1.00 2.37 H new HETATM 0 H1' 5CM A 1 -12.019 -3.331 -12.197 1.00 2.30 H new ATOM 31 P DG A 2 -13.509 -6.002 -9.440 1.00 2.74 P ATOM 32 OP1 DG A 2 -13.965 -7.387 -9.723 1.00 3.02 O ATOM 33 OP2 DG A 2 -13.846 -5.371 -8.138 1.00 2.87 O ATOM 34 O5' DG A 2 -11.927 -5.954 -9.620 1.00 2.30 O ATOM 35 C5' DG A 2 -11.311 -6.378 -10.838 1.00 2.10 C ATOM 36 C4' DG A 2 -9.806 -6.368 -10.696 1.00 1.77 C ATOM 37 O4' DG A 2 -9.317 -5.046 -11.030 1.00 1.59 O ATOM 38 C3' DG A 2 -9.282 -6.670 -9.290 1.00 1.77 C ATOM 39 O3' DG A 2 -8.090 -7.460 -9.362 1.00 1.66 O ATOM 40 C2' DG A 2 -8.981 -5.295 -8.721 1.00 1.61 C ATOM 41 C1' DG A 2 -8.569 -4.510 -9.952 1.00 1.42 C ATOM 42 N9 DG A 2 -8.845 -3.077 -9.885 1.00 1.35 N ATOM 43 C8 DG A 2 -9.880 -2.462 -9.223 1.00 1.54 C ATOM 44 N7 DG A 2 -9.873 -1.164 -9.350 1.00 1.44 N ATOM 45 C5 DG A 2 -8.763 -0.904 -10.142 1.00 1.18 C ATOM 46 C6 DG A 2 -8.241 0.327 -10.618 1.00 1.05 C ATOM 47 O6 DG A 2 -8.671 1.469 -10.427 1.00 1.10 O ATOM 48 N1 DG A 2 -7.100 0.136 -11.389 1.00 0.91 N ATOM 49 C2 DG A 2 -6.533 -1.083 -11.666 1.00 0.87 C ATOM 50 N2 DG A 2 -5.432 -1.066 -12.425 1.00 0.86 N ATOM 51 N3 DG A 2 -7.008 -2.237 -11.230 1.00 0.95 N ATOM 52 C4 DG A 2 -8.117 -2.074 -10.479 1.00 1.13 C ATOM 0 H5' DG A 2 -11.611 -5.720 -11.653 1.00 2.10 H new ATOM 0 H5'' DG A 2 -11.652 -7.381 -11.096 1.00 2.10 H new ATOM 0 H4' DG A 2 -9.454 -7.159 -11.359 1.00 1.77 H new ATOM 0 H3' DG A 2 -9.988 -7.235 -8.681 1.00 1.77 H new ATOM 0 H2' DG A 2 -9.853 -4.858 -8.235 1.00 1.61 H new ATOM 0 H2'' DG A 2 -8.185 -5.330 -7.977 1.00 1.61 H new ATOM 0 H1' DG A 2 -7.488 -4.603 -10.058 1.00 1.42 H new ATOM 0 H8 DG A 2 -10.625 -2.999 -8.655 1.00 1.54 H new ATOM 0 H1 DG A 2 -6.650 0.964 -11.778 1.00 0.91 H new ATOM 0 H21 DG A 2 -4.965 -1.940 -12.665 1.00 0.86 H new ATOM 0 H22 DG A 2 -5.060 -0.179 -12.763 1.00 0.86 H new HETATM 64 N1 5CM A 3 -4.719 -4.083 -7.837 1.00 1.09 N HETATM 65 C2 5CM A 3 -4.446 -2.750 -8.165 1.00 0.91 C HETATM 66 N3 5CM A 3 -5.352 -1.795 -7.859 1.00 0.89 N HETATM 67 C4 5CM A 3 -6.490 -2.126 -7.246 1.00 1.04 C HETATM 68 C5 5CM A 3 -6.794 -3.475 -6.893 1.00 1.24 C HETATM 69 C5A 5CM A 3 -7.804 -3.706 -6.040 1.00 1.46 C HETATM 70 C6 5CM A 3 -5.889 -4.412 -7.208 1.00 1.25 C HETATM 71 O2 5CM A 3 -3.376 -2.477 -8.730 1.00 0.85 O HETATM 72 N4 5CM A 3 -7.354 -1.149 -6.967 1.00 1.04 N HETATM 73 C1' 5CM A 3 -3.730 -5.118 -8.184 1.00 1.13 C HETATM 74 C2' 5CM A 3 -3.505 -6.171 -7.112 1.00 1.37 C HETATM 75 C3' 5CM A 3 -3.146 -7.406 -7.918 1.00 1.41 C HETATM 76 C4' 5CM A 3 -3.921 -7.224 -9.224 1.00 1.28 C HETATM 77 O4' 5CM A 3 -4.211 -5.808 -9.326 1.00 1.14 O HETATM 78 O3' 5CM A 3 -1.740 -7.452 -8.181 1.00 1.39 O HETATM 79 C5' 5CM A 3 -5.219 -7.993 -9.310 1.00 1.45 C HETATM 80 O5' 5CM A 3 -5.951 -7.867 -8.089 1.00 1.56 O HETATM 81 P 5CM A 3 -7.515 -8.166 -8.035 1.00 1.80 P HETATM 82 OP1 5CM A 3 -7.709 -9.629 -8.190 1.00 2.02 O HETATM 83 OP2 5CM A 3 -8.074 -7.474 -6.845 1.00 1.97 O HETATM 0 HN42 5CM A 3 -8.234 -1.365 -6.499 1.00 1.04 H new HETATM 0 HN41 5CM A 3 -7.135 -0.186 -7.222 1.00 1.04 H new HETATM 0 H5A3 5CM A 3 -7.598 -3.212 -5.090 1.00 1.46 H new HETATM 0 H5A2 5CM A 3 -8.731 -3.315 -6.459 1.00 1.46 H new HETATM 0 H5A1 5CM A 3 -7.904 -4.779 -5.877 1.00 1.46 H new HETATM 0 H5'' 5CM A 3 -5.817 -7.619 -10.141 1.00 1.45 H new HETATM 0 H2'' 5CM A 3 -2.704 -5.887 -6.429 1.00 1.37 H new HETATM 0 H6 5CM A 3 -6.088 -5.454 -6.959 1.00 1.25 H new HETATM 0 H5' 5CM A 3 -5.014 -9.044 -9.513 1.00 1.45 H new HETATM 0 H4' 5CM A 3 -3.305 -7.614 -10.034 1.00 1.28 H new HETATM 0 H3' 5CM A 3 -3.392 -8.332 -7.397 1.00 1.41 H new HETATM 0 H2' 5CM A 3 -4.398 -6.329 -6.507 1.00 1.37 H new HETATM 0 H1' 5CM A 3 -2.785 -4.596 -8.333 1.00 1.13 H new ATOM 97 P DG A 4 -0.741 -8.079 -7.087 1.00 1.64 P ATOM 98 OP1 DG A 4 -0.229 -9.357 -7.642 1.00 1.93 O ATOM 99 OP2 DG A 4 -1.417 -8.072 -5.764 1.00 1.77 O ATOM 100 O5' DG A 4 0.470 -7.046 -7.031 1.00 1.52 O ATOM 101 C5' DG A 4 0.589 -5.995 -7.992 1.00 1.45 C ATOM 102 C4' DG A 4 0.915 -4.692 -7.301 1.00 1.40 C ATOM 103 O4' DG A 4 -0.323 -4.037 -6.937 1.00 1.46 O ATOM 104 C3' DG A 4 1.722 -4.837 -6.005 1.00 1.39 C ATOM 105 O3' DG A 4 2.920 -4.055 -6.078 1.00 1.41 O ATOM 106 C2' DG A 4 0.799 -4.298 -4.921 1.00 1.35 C ATOM 107 C1' DG A 4 -0.144 -3.402 -5.693 1.00 1.34 C ATOM 108 N9 DG A 4 -1.458 -3.216 -5.084 1.00 1.30 N ATOM 109 C8 DG A 4 -2.284 -4.186 -4.572 1.00 1.35 C ATOM 110 N7 DG A 4 -3.400 -3.710 -4.089 1.00 1.32 N ATOM 111 C5 DG A 4 -3.304 -2.340 -4.296 1.00 1.26 C ATOM 112 C6 DG A 4 -4.213 -1.294 -3.979 1.00 1.23 C ATOM 113 O6 DG A 4 -5.319 -1.371 -3.432 1.00 1.26 O ATOM 114 N1 DG A 4 -3.718 -0.052 -4.365 1.00 1.22 N ATOM 115 C2 DG A 4 -2.505 0.156 -4.974 1.00 1.22 C ATOM 116 N2 DG A 4 -2.201 1.423 -5.269 1.00 1.24 N ATOM 117 N3 DG A 4 -1.651 -0.806 -5.273 1.00 1.24 N ATOM 118 C4 DG A 4 -2.112 -2.020 -4.909 1.00 1.25 C ATOM 0 H5' DG A 4 -0.342 -5.896 -8.551 1.00 1.45 H new ATOM 0 H5'' DG A 4 1.369 -6.238 -8.713 1.00 1.45 H new ATOM 0 H4' DG A 4 1.521 -4.131 -8.012 1.00 1.40 H new ATOM 0 H3' DG A 4 2.028 -5.866 -5.815 1.00 1.39 H new ATOM 0 H2' DG A 4 0.266 -5.099 -4.409 1.00 1.35 H new ATOM 0 H2'' DG A 4 1.350 -3.745 -4.160 1.00 1.35 H new ATOM 0 H1' DG A 4 0.295 -2.406 -5.741 1.00 1.34 H new ATOM 0 H8 DG A 4 -2.036 -5.237 -4.569 1.00 1.35 H new ATOM 0 H1 DG A 4 -4.300 0.765 -4.182 1.00 1.22 H new ATOM 0 H21 DG A 4 -1.314 1.642 -5.722 1.00 1.24 H new ATOM 0 H22 DG A 4 -2.856 2.171 -5.041 1.00 1.24 H new HETATM 130 P 0DC A 5 4.223 -4.506 -5.248 1.00 1.48 P HETATM 131 OP1 0DC A 5 5.351 -4.665 -6.202 1.00 1.64 O HETATM 132 OP2 0DC A 5 3.835 -5.646 -4.377 1.00 1.53 O HETATM 133 O5' 0DC A 5 4.536 -3.254 -4.314 1.00 1.36 O HETATM 134 C5' 0DC A 5 3.909 -3.110 -3.037 1.00 1.28 C HETATM 135 C4' 0DC A 5 3.662 -1.649 -2.738 1.00 1.26 C HETATM 136 O4' 0DC A 5 2.562 -1.544 -1.801 1.00 1.22 O HETATM 137 C3' 0DC A 5 3.265 -0.799 -3.946 1.00 1.34 C HETATM 138 O3' 0DC A 5 3.818 0.517 -3.833 1.00 1.43 O HETATM 139 C2' 0DC A 5 1.752 -0.749 -3.858 1.00 1.39 C HETATM 140 C1' 0DC A 5 1.512 -0.770 -2.361 1.00 1.27 C HETATM 141 N1 0DC A 5 0.233 -1.379 -1.958 1.00 1.21 N HETATM 142 C2 0DC A 5 -0.859 -0.545 -1.700 1.00 1.23 C HETATM 143 O2 0DC A 5 -0.721 0.680 -1.822 1.00 1.27 O HETATM 144 N3 0DC A 5 -2.036 -1.095 -1.327 1.00 1.23 N HETATM 145 C4 0DC A 5 -2.146 -2.420 -1.212 1.00 1.22 C HETATM 146 N4 0DC A 5 -3.327 -2.917 -0.844 1.00 1.27 N HETATM 147 C5 0DC A 5 -1.051 -3.294 -1.470 1.00 1.19 C HETATM 148 C6 0DC A 5 0.110 -2.735 -1.837 1.00 1.19 C HETATM 0 H5'' 0DC A 5 2.966 -3.656 -3.023 1.00 1.28 H new HETATM 0 H2'' 0DC A 5 1.348 0.151 -4.322 1.00 1.39 H new HETATM 0 H6 0DC A 5 0.970 -3.372 -2.042 1.00 1.19 H new HETATM 0 H5' 0DC A 5 4.540 -3.545 -2.263 1.00 1.28 H new HETATM 0 H5 0DC A 5 -1.154 -4.375 -1.373 1.00 1.19 H new HETATM 0 H42 0DC A 5 -3.448 -3.925 -0.746 1.00 1.27 H new HETATM 0 H41 0DC A 5 -4.110 -2.289 -0.661 1.00 1.27 H new HETATM 0 H4' 0DC A 5 4.612 -1.273 -2.359 1.00 1.26 H new HETATM 0 H3' 0DC A 5 3.624 -1.204 -4.892 1.00 1.34 H new HETATM 0 H2' 0DC A 5 1.288 -1.600 -4.356 1.00 1.39 H new HETATM 0 H1' 0DC A 5 1.480 0.262 -2.012 1.00 1.27 H new HETATM 160 P 0DG A 6 4.826 1.063 -4.961 1.00 1.47 P HETATM 161 OP1 0DG A 6 4.750 2.546 -4.964 1.00 1.69 O HETATM 162 OP2 0DG A 6 4.558 0.314 -6.216 1.00 1.54 O HETATM 163 O5' 0DG A 6 6.268 0.640 -4.429 1.00 1.47 O HETATM 164 C5' 0DG A 6 6.762 1.121 -3.177 1.00 1.40 C HETATM 165 C4' 0DG A 6 8.199 0.693 -2.984 1.00 1.32 C HETATM 166 O4' 0DG A 6 8.242 -0.741 -2.797 1.00 1.18 O HETATM 167 C3' 0DG A 6 8.890 1.277 -1.755 1.00 1.35 C HETATM 168 O3' 0DG A 6 10.304 1.362 -1.979 1.00 1.43 O HETATM 169 C2' 0DG A 6 8.562 0.262 -0.677 1.00 1.25 C HETATM 170 C1' 0DG A 6 8.560 -1.053 -1.445 1.00 1.16 C HETATM 171 N9 0DG A 6 7.581 -2.027 -0.972 1.00 1.09 N HETATM 172 C8 0DG A 6 7.699 -3.395 -0.988 1.00 1.06 C HETATM 173 N7 0DG A 6 6.653 -4.008 -0.506 1.00 1.04 N HETATM 174 C5 0DG A 6 5.791 -2.980 -0.148 1.00 1.05 C HETATM 175 C6 0DG A 6 4.495 -3.026 0.427 1.00 1.08 C HETATM 176 O6 0DG A 6 3.827 -4.017 0.743 1.00 1.08 O HETATM 177 N1 0DG A 6 3.978 -1.750 0.626 1.00 1.13 N HETATM 178 C2 0DG A 6 4.625 -0.581 0.313 1.00 1.16 C HETATM 179 N2 0DG A 6 3.967 0.551 0.584 1.00 1.24 N HETATM 180 N3 0DG A 6 5.830 -0.523 -0.224 1.00 1.14 N HETATM 181 C4 0DG A 6 6.350 -1.751 -0.427 1.00 1.09 C HETATM 0 H5'' 0DG A 6 6.691 2.208 -3.143 1.00 1.40 H new HETATM 0 H2'' 0DG A 6 9.305 0.264 0.121 1.00 1.25 H new HETATM 0 H8 0DG A 6 8.578 -3.917 -1.366 1.00 1.06 H new HETATM 0 H5' 0DG A 6 6.148 0.736 -2.363 1.00 1.40 H new HETATM 0 H4' 0DG A 6 8.715 1.052 -3.874 1.00 1.32 H new HETATM 0 H3' 0DG A 6 8.568 2.287 -1.500 1.00 1.35 H new HETATM 0 H22 0DG A 6 4.395 1.453 0.374 1.00 1.24 H new HETATM 0 H21 0DG A 6 3.037 0.513 1.001 1.00 1.24 H new HETATM 0 H2' 0DG A 6 7.596 0.462 -0.213 1.00 1.25 H new HETATM 0 H1' 0DG A 6 9.541 -1.509 -1.312 1.00 1.16 H new HETATM 0 H1 0DG A 6 3.047 -1.678 1.036 1.00 1.13 H new HETATM 193 N1 5CM A 7 7.953 1.502 3.091 1.00 1.28 N HETATM 194 C2 5CM A 7 6.652 1.176 3.481 1.00 1.21 C HETATM 195 N3 5CM A 7 6.226 -0.103 3.369 1.00 1.15 N HETATM 196 C4 5CM A 7 7.048 -1.038 2.891 1.00 1.14 C HETATM 197 C5 5CM A 7 8.384 -0.736 2.489 1.00 1.21 C HETATM 198 C5A 5CM A 7 9.227 -1.745 2.216 1.00 1.21 C HETATM 199 C6 5CM A 7 8.790 0.536 2.605 1.00 1.28 C HETATM 200 O2 5CM A 7 5.917 2.070 3.922 1.00 1.24 O HETATM 201 N4 5CM A 7 6.581 -2.284 2.794 1.00 1.11 N HETATM 202 C1' 5CM A 7 8.399 2.900 3.211 1.00 1.39 C HETATM 203 C2' 5CM A 7 9.644 3.103 4.055 1.00 1.32 C HETATM 204 C3' 5CM A 7 10.232 4.363 3.448 1.00 1.39 C HETATM 205 C4' 5CM A 7 9.886 4.229 1.965 1.00 1.61 C HETATM 206 O4' 5CM A 7 8.723 3.366 1.910 1.00 1.69 O HETATM 207 O3' 5CM A 7 9.608 5.528 4.002 1.00 1.41 O HETATM 208 C5' 5CM A 7 10.984 3.637 1.112 1.00 1.82 C HETATM 209 O5' 5CM A 7 10.426 2.938 -0.002 1.00 1.61 O HETATM 210 P 5CM A 7 11.278 1.848 -0.793 1.00 1.55 P HETATM 211 OP1 5CM A 7 12.443 2.532 -1.408 1.00 1.71 O HETATM 212 OP2 5CM A 7 11.502 0.690 0.110 1.00 1.53 O HETATM 0 HN42 5CM A 7 7.180 -3.026 2.433 1.00 1.11 H new HETATM 0 HN41 5CM A 7 5.625 -2.494 3.081 1.00 1.11 H new HETATM 0 H5A3 5CM A 7 9.344 -2.371 3.101 1.00 1.21 H new HETATM 0 H5A2 5CM A 7 8.825 -2.344 1.398 1.00 1.21 H new HETATM 0 H5A1 5CM A 7 10.197 -1.341 1.927 1.00 1.21 H new HETATM 0 H5'' 5CM A 7 11.646 4.428 0.759 1.00 1.82 H new HETATM 0 H2'' 5CM A 7 9.405 3.231 5.111 1.00 1.32 H new HETATM 0 H6 5CM A 7 9.804 0.805 2.307 1.00 1.28 H new HETATM 0 H5' 5CM A 7 11.591 2.957 1.710 1.00 1.82 H new HETATM 0 H4' 5CM A 7 9.719 5.226 1.557 1.00 1.61 H new HETATM 0 H3' 5CM A 7 11.301 4.470 3.635 1.00 1.39 H new HETATM 0 H2' 5CM A 7 10.328 2.258 3.983 1.00 1.32 H new HETATM 0 H1' 5CM A 7 7.582 3.434 3.695 1.00 1.39 H new ATOM 226 P DG A 8 10.387 6.405 5.103 1.00 1.37 P ATOM 227 OP1 DG A 8 10.987 7.579 4.420 1.00 1.60 O ATOM 228 OP2 DG A 8 11.255 5.486 5.882 1.00 1.37 O ATOM 229 O5' DG A 8 9.233 6.926 6.071 1.00 1.35 O ATOM 230 C5' DG A 8 7.923 7.210 5.574 1.00 1.56 C ATOM 231 C4' DG A 8 6.908 7.108 6.689 1.00 1.58 C ATOM 232 O4' DG A 8 6.436 5.740 6.767 1.00 1.39 O ATOM 233 C3' DG A 8 7.441 7.448 8.081 1.00 1.61 C ATOM 234 O3' DG A 8 6.430 8.097 8.859 1.00 1.96 O ATOM 235 C2' DG A 8 7.778 6.090 8.668 1.00 1.29 C ATOM 236 C1' DG A 8 6.729 5.188 8.041 1.00 1.16 C ATOM 237 N9 DG A 8 7.159 3.807 7.839 1.00 0.92 N ATOM 238 C8 DG A 8 8.394 3.378 7.418 1.00 0.89 C ATOM 239 N7 DG A 8 8.485 2.080 7.324 1.00 0.79 N ATOM 240 C5 DG A 8 7.232 1.622 7.709 1.00 0.72 C ATOM 241 C6 DG A 8 6.727 0.299 7.807 1.00 0.75 C ATOM 242 O6 DG A 8 7.307 -0.765 7.568 1.00 0.88 O ATOM 243 N1 DG A 8 5.404 0.286 8.234 1.00 0.74 N ATOM 244 C2 DG A 8 4.662 1.400 8.531 1.00 0.76 C ATOM 245 N2 DG A 8 3.403 1.180 8.927 1.00 0.85 N ATOM 246 N3 DG A 8 5.118 2.639 8.446 1.00 0.83 N ATOM 247 C4 DG A 8 6.402 2.675 8.031 1.00 0.79 C ATOM 0 H5' DG A 8 7.669 6.511 4.777 1.00 1.56 H new ATOM 0 H5'' DG A 8 7.899 8.210 5.141 1.00 1.56 H new ATOM 0 H4' DG A 8 6.136 7.835 6.437 1.00 1.58 H new ATOM 0 H3' DG A 8 8.293 8.127 8.061 1.00 1.61 H new ATOM 0 H2' DG A 8 8.789 5.776 8.409 1.00 1.29 H new ATOM 0 H2'' DG A 8 7.713 6.091 9.756 1.00 1.29 H new ATOM 0 H1' DG A 8 5.879 5.147 8.722 1.00 1.16 H new ATOM 0 H8 DG A 8 9.209 4.049 7.188 1.00 0.89 H new ATOM 0 H1 DG A 8 4.950 -0.622 8.334 1.00 0.74 H new ATOM 0 H21 DG A 8 2.798 1.966 9.163 1.00 0.85 H new ATOM 0 H22 DG A 8 3.048 0.226 8.993 1.00 0.85 H new HETATM 259 N1 5CM A 9 6.806 4.017 12.193 1.00 1.29 N HETATM 260 C2 5CM A 9 6.580 2.641 12.105 1.00 1.10 C HETATM 261 N3 5CM A 9 7.491 1.858 11.482 1.00 1.04 N HETATM 262 C4 5CM A 9 8.591 2.403 10.959 1.00 1.13 C HETATM 263 C5 5CM A 9 8.851 3.804 11.040 1.00 1.28 C HETATM 264 C5A 5CM A 9 10.051 4.269 10.658 1.00 1.44 C HETATM 265 C6 5CM A 9 7.939 4.566 11.661 1.00 1.37 C HETATM 266 O2 5CM A 9 5.548 2.171 12.601 1.00 1.07 O HETATM 267 N4 5CM A 9 9.454 1.591 10.345 1.00 1.16 N HETATM 268 C1' 5CM A 9 5.800 4.858 12.865 1.00 1.48 C HETATM 269 C2' 5CM A 9 6.348 5.861 13.856 1.00 1.79 C HETATM 270 C3' 5CM A 9 5.240 6.901 13.896 1.00 2.03 C HETATM 271 C4' 5CM A 9 4.607 6.819 12.502 1.00 1.92 C HETATM 272 O4' 5CM A 9 5.150 5.629 11.881 1.00 1.61 O HETATM 273 O3' 5CM A 9 4.266 6.569 14.894 1.00 2.11 O HETATM 274 C5' 5CM A 9 4.883 8.002 11.604 1.00 2.16 C HETATM 275 O5' 5CM A 9 6.288 8.133 11.379 1.00 2.16 O HETATM 276 P 5CM A 9 6.847 8.970 10.144 1.00 2.23 P HETATM 277 OP1 5CM A 9 6.088 10.245 10.073 1.00 2.67 O HETATM 278 OP2 5CM A 9 8.329 9.005 10.242 1.00 2.19 O HETATM 0 HN42 5CM A 9 10.306 1.970 9.933 1.00 1.16 H new HETATM 0 HN41 5CM A 9 9.261 0.591 10.288 1.00 1.16 H new HETATM 0 H5A3 5CM A 9 10.830 3.812 11.269 1.00 1.44 H new HETATM 0 H5A2 5CM A 9 10.220 4.021 9.610 1.00 1.44 H new HETATM 0 H5A1 5CM A 9 10.079 5.351 10.784 1.00 1.44 H new HETATM 0 H5'' 5CM A 9 4.365 7.875 10.653 1.00 2.16 H new HETATM 0 H2'' 5CM A 9 6.524 5.414 14.834 1.00 1.79 H new HETATM 0 H6 5CM A 9 8.104 5.640 11.743 1.00 1.37 H new HETATM 0 H5' 5CM A 9 4.494 8.912 12.060 1.00 2.16 H new HETATM 0 H4' 5CM A 9 3.525 6.803 12.629 1.00 1.92 H new HETATM 0 H3' 5CM A 9 5.613 7.895 14.142 1.00 2.03 H new HETATM 0 H2' 5CM A 9 7.295 6.286 13.525 1.00 1.79 H new HETATM 0 H1' 5CM A 9 5.163 4.161 13.410 1.00 1.48 H new ATOM 292 P DG A 10 4.535 6.949 16.435 1.00 2.42 P ATOM 293 OP1 DG A 10 3.602 8.041 16.813 1.00 2.69 O ATOM 294 OP2 DG A 10 5.998 7.141 16.609 1.00 2.50 O ATOM 295 O5' DG A 10 4.116 5.633 17.231 1.00 2.37 O ATOM 296 C5' DG A 10 2.774 5.142 17.184 1.00 2.30 C ATOM 297 C4' DG A 10 2.700 3.758 17.786 1.00 2.26 C ATOM 298 O4' DG A 10 3.410 2.834 16.926 1.00 2.01 O ATOM 299 C3' DG A 10 3.337 3.616 19.169 1.00 2.53 C ATOM 300 O3' DG A 10 2.605 2.684 19.970 1.00 2.62 O ATOM 301 C2' DG A 10 4.723 3.080 18.864 1.00 2.47 C ATOM 302 C1' DG A 10 4.487 2.232 17.627 1.00 2.13 C ATOM 303 N9 DG A 10 5.626 2.160 16.718 1.00 2.02 N ATOM 304 C8 DG A 10 6.328 3.215 16.189 1.00 2.09 C ATOM 305 N7 DG A 10 7.302 2.845 15.404 1.00 2.02 N ATOM 306 C5 DG A 10 7.240 1.458 15.414 1.00 1.89 C ATOM 307 C6 DG A 10 8.044 0.497 14.748 1.00 1.85 C ATOM 308 O6 DG A 10 9.002 0.687 13.990 1.00 1.92 O ATOM 309 N1 DG A 10 7.638 -0.801 15.039 1.00 1.80 N ATOM 310 C2 DG A 10 6.589 -1.131 15.860 1.00 1.78 C ATOM 311 N2 DG A 10 6.349 -2.438 16.013 1.00 1.79 N ATOM 312 N3 DG A 10 5.831 -0.248 16.486 1.00 1.82 N ATOM 313 C4 DG A 10 6.211 1.020 16.220 1.00 1.88 C ATOM 0 H5' DG A 10 2.425 5.116 16.152 1.00 2.30 H new ATOM 0 H5'' DG A 10 2.113 5.818 17.727 1.00 2.30 H new ATOM 0 H4' DG A 10 1.634 3.552 17.884 1.00 2.26 H new ATOM 0 H3' DG A 10 3.352 4.551 19.728 1.00 2.53 H new ATOM 0 H2' DG A 10 5.435 3.883 18.675 1.00 2.47 H new ATOM 0 H2'' DG A 10 5.120 2.490 19.690 1.00 2.47 H new ATOM 0 HO3' DG A 10 3.029 2.605 20.850 1.00 2.62 H new ATOM 0 H1' DG A 10 4.293 1.212 17.957 1.00 2.13 H new ATOM 0 H8 DG A 10 6.097 4.248 16.402 1.00 2.09 H new ATOM 0 H1 DG A 10 8.159 -1.565 14.610 1.00 1.80 H new ATOM 0 H21 DG A 10 5.583 -2.749 16.610 1.00 1.79 H new ATOM 0 H22 DG A 10 6.932 -3.123 15.532 1.00 1.79 H new TER 326 DG A 10 HETATM 327 N1 5CM B 11 9.827 -5.181 13.645 1.00 2.28 N HETATM 328 C2 5CM B 11 9.008 -4.167 14.157 1.00 2.07 C HETATM 329 N3 5CM B 11 9.319 -2.875 13.902 1.00 2.00 N HETATM 330 C4 5CM B 11 10.395 -2.580 13.169 1.00 2.13 C HETATM 331 C5 5CM B 11 11.243 -3.593 12.632 1.00 2.35 C HETATM 332 C5A 5CM B 11 12.197 -3.247 11.754 1.00 2.50 C HETATM 333 C6 5CM B 11 10.925 -4.868 12.894 1.00 2.42 C HETATM 334 O2 5CM B 11 8.016 -4.479 14.832 1.00 1.98 O HETATM 335 N4 5CM B 11 10.663 -1.292 12.948 1.00 2.11 N HETATM 336 C1' 5CM B 11 9.487 -6.585 13.932 1.00 2.42 C HETATM 337 C2' 5CM B 11 9.356 -7.466 12.696 1.00 2.52 C HETATM 338 C3' 5CM B 11 9.927 -8.796 13.153 1.00 2.86 C HETATM 339 C4' 5CM B 11 10.995 -8.385 14.163 1.00 3.04 C HETATM 340 O4' 5CM B 11 10.537 -7.131 14.722 1.00 2.76 O HETATM 341 O3' 5CM B 11 8.923 -9.594 13.789 1.00 2.80 O HETATM 342 C5' 5CM B 11 12.379 -8.189 13.589 1.00 3.35 C HETATM 343 O5' 5CM B 11 13.231 -9.290 13.920 1.00 3.65 O HETATM 0 HN42 5CM B 11 11.477 -1.028 12.392 1.00 2.11 H new HETATM 0 HN41 5CM B 11 10.054 -0.571 13.335 1.00 2.11 H new HETATM 0 H5A3 5CM B 11 11.737 -2.785 10.880 1.00 2.50 H new HETATM 0 H5A2 5CM B 11 12.881 -2.538 12.221 1.00 2.50 H new HETATM 0 H5A1 5CM B 11 12.749 -4.136 11.447 1.00 2.50 H new HETATM 0 H5'' 5CM B 11 12.316 -8.086 12.506 1.00 3.35 H new HETATM 0 H2'' 5CM B 11 8.318 -7.562 12.379 1.00 2.52 H new HETATM 0 H6 5CM B 11 11.552 -5.669 12.502 1.00 2.42 H new HETATM 0 H5' 5CM B 11 12.808 -7.264 13.973 1.00 3.35 H new HETATM 0 H4' 5CM B 11 11.106 -9.190 14.889 1.00 3.04 H new HETATM 0 H3' 5CM B 11 10.313 -9.397 12.330 1.00 2.86 H new HETATM 0 H2' 5CM B 11 9.911 -7.059 11.851 1.00 2.52 H new HETATM 0 H1' 5CM B 11 8.516 -6.575 14.428 1.00 2.42 H new ATOM 357 P DG B 12 7.820 -10.352 12.896 1.00 2.79 P ATOM 358 OP1 DG B 12 7.206 -11.399 13.752 1.00 3.05 O ATOM 359 OP2 DG B 12 8.438 -10.733 11.601 1.00 2.96 O ATOM 360 O5' DG B 12 6.718 -9.235 12.616 1.00 2.32 O ATOM 361 C5' DG B 12 5.986 -8.641 13.690 1.00 2.16 C ATOM 362 C4' DG B 12 5.019 -7.608 13.159 1.00 1.86 C ATOM 363 O4' DG B 12 5.718 -6.346 13.028 1.00 1.66 O ATOM 364 C3' DG B 12 4.424 -7.917 11.780 1.00 1.85 C ATOM 365 O3' DG B 12 2.998 -7.793 11.822 1.00 1.82 O ATOM 366 C2' DG B 12 5.026 -6.860 10.866 1.00 1.66 C ATOM 367 C1' DG B 12 5.337 -5.727 11.819 1.00 1.46 C ATOM 368 N9 DG B 12 6.426 -4.851 11.398 1.00 1.38 N ATOM 369 C8 DG B 12 7.612 -5.222 10.813 1.00 1.55 C ATOM 370 N7 DG B 12 8.392 -4.212 10.545 1.00 1.47 N ATOM 371 C5 DG B 12 7.678 -3.103 10.980 1.00 1.23 C ATOM 372 C6 DG B 12 8.014 -1.725 10.955 1.00 1.12 C ATOM 373 O6 DG B 12 9.043 -1.191 10.527 1.00 1.21 O ATOM 374 N1 DG B 12 7.002 -0.941 11.499 1.00 0.97 N ATOM 375 C2 DG B 12 5.819 -1.422 12.003 1.00 0.92 C ATOM 376 N2 DG B 12 4.965 -0.512 12.481 1.00 0.88 N ATOM 377 N3 DG B 12 5.494 -2.703 12.034 1.00 1.01 N ATOM 378 C4 DG B 12 6.463 -3.482 11.510 1.00 1.17 C ATOM 0 H5' DG B 12 6.675 -8.175 14.395 1.00 2.16 H new ATOM 0 H5'' DG B 12 5.442 -9.411 14.237 1.00 2.16 H new ATOM 0 H4' DG B 12 4.196 -7.593 13.874 1.00 1.86 H new ATOM 0 H3' DG B 12 4.643 -8.930 11.442 1.00 1.85 H new ATOM 0 H2' DG B 12 5.923 -7.223 10.364 1.00 1.66 H new ATOM 0 H2'' DG B 12 4.327 -6.553 10.088 1.00 1.66 H new ATOM 0 H1' DG B 12 4.456 -5.088 11.886 1.00 1.46 H new ATOM 0 H8 DG B 12 7.872 -6.248 10.597 1.00 1.55 H new ATOM 0 H1 DG B 12 7.150 0.068 11.525 1.00 0.97 H new ATOM 0 H21 DG B 12 4.069 -0.808 12.869 1.00 0.88 H new ATOM 0 H22 DG B 12 5.209 0.478 12.458 1.00 0.88 H new HETATM 390 N1 5CM B 13 2.308 -3.630 8.936 1.00 1.24 N HETATM 391 C2 5CM B 13 2.893 -2.370 8.761 1.00 1.05 C HETATM 392 N3 5CM B 13 4.162 -2.289 8.299 1.00 1.01 N HETATM 393 C4 5CM B 13 4.839 -3.403 8.010 1.00 1.18 C HETATM 394 C5 5CM B 13 4.266 -4.699 8.173 1.00 1.39 C HETATM 395 C5A 5CM B 13 4.899 -5.759 7.644 1.00 1.61 C HETATM 396 C6 5CM B 13 3.011 -4.764 8.637 1.00 1.40 C HETATM 397 O2 5CM B 13 2.233 -1.356 9.034 1.00 1.00 O HETATM 398 N4 5CM B 13 6.087 -3.273 7.558 1.00 1.20 N HETATM 399 C1' 5CM B 13 0.930 -3.711 9.451 1.00 1.34 C HETATM 400 C2' 5CM B 13 0.024 -4.664 8.694 1.00 1.57 C HETATM 401 C3' 5CM B 13 -0.937 -5.143 9.767 1.00 1.65 C HETATM 402 C4' 5CM B 13 -0.099 -5.108 11.045 1.00 1.56 C HETATM 403 O4' 5CM B 13 0.995 -4.195 10.783 1.00 1.43 O HETATM 404 O3' 5CM B 13 -2.051 -4.254 9.886 1.00 1.64 O HETATM 405 C5' 5CM B 13 0.469 -6.441 11.473 1.00 1.75 C HETATM 406 O5' 5CM B 13 1.064 -7.107 10.358 1.00 1.78 O HETATM 407 P 5CM B 13 2.111 -8.287 10.573 1.00 1.97 P HETATM 408 OP1 5CM B 13 1.363 -9.502 10.983 1.00 2.32 O HETATM 409 OP2 5CM B 13 2.992 -8.337 9.378 1.00 2.02 O HETATM 0 HN42 5CM B 13 6.635 -4.102 7.327 1.00 1.20 H new HETATM 0 HN41 5CM B 13 6.494 -2.345 7.443 1.00 1.20 H new HETATM 0 H5A3 5CM B 13 4.984 -5.631 6.565 1.00 1.61 H new HETATM 0 H5A2 5CM B 13 5.895 -5.843 8.079 1.00 1.61 H new HETATM 0 H5A1 5CM B 13 4.332 -6.665 7.858 1.00 1.61 H new HETATM 0 H5'' 5CM B 13 1.213 -6.293 12.256 1.00 1.75 H new HETATM 0 H2'' 5CM B 13 -0.498 -4.163 7.879 1.00 1.57 H new HETATM 0 H6 5CM B 13 2.542 -5.738 8.779 1.00 1.40 H new HETATM 0 H5' 5CM B 13 -0.321 -7.061 11.897 1.00 1.75 H new HETATM 0 H4' 5CM B 13 -0.750 -4.801 11.864 1.00 1.56 H new HETATM 0 H3' 5CM B 13 -1.350 -6.128 9.549 1.00 1.65 H new HETATM 0 H2' 5CM B 13 0.583 -5.490 8.255 1.00 1.57 H new HETATM 0 H1' 5CM B 13 0.510 -2.710 9.352 1.00 1.34 H new ATOM 423 P DG B 14 -3.317 -4.421 8.908 1.00 1.86 P ATOM 424 OP1 DG B 14 -4.460 -4.919 9.715 1.00 2.12 O ATOM 425 OP2 DG B 14 -2.874 -5.186 7.714 1.00 2.03 O ATOM 426 O5' DG B 14 -3.645 -2.932 8.446 1.00 1.78 O ATOM 427 C5' DG B 14 -3.039 -1.810 9.092 1.00 1.71 C ATOM 428 C4' DG B 14 -2.563 -0.812 8.063 1.00 1.57 C ATOM 429 O4' DG B 14 -1.207 -1.143 7.681 1.00 1.42 O ATOM 430 C3' DG B 14 -3.381 -0.791 6.766 1.00 1.57 C ATOM 431 O3' DG B 14 -3.882 0.529 6.520 1.00 1.61 O ATOM 432 C2' DG B 14 -2.389 -1.196 5.685 1.00 1.51 C ATOM 433 C1' DG B 14 -1.051 -0.864 6.309 1.00 1.40 C ATOM 434 N9 DG B 14 0.078 -1.645 5.810 1.00 1.30 N ATOM 435 C8 DG B 14 0.120 -3.000 5.590 1.00 1.31 C ATOM 436 N7 DG B 14 1.267 -3.411 5.123 1.00 1.23 N ATOM 437 C5 DG B 14 2.033 -2.255 5.032 1.00 1.17 C ATOM 438 C6 DG B 14 3.370 -2.068 4.587 1.00 1.13 C ATOM 439 O6 DG B 14 4.170 -2.913 4.169 1.00 1.12 O ATOM 440 N1 DG B 14 3.751 -0.732 4.661 1.00 1.15 N ATOM 441 C2 DG B 14 2.952 0.291 5.108 1.00 1.19 C ATOM 442 N2 DG B 14 3.502 1.510 5.115 1.00 1.24 N ATOM 443 N3 DG B 14 1.706 0.132 5.521 1.00 1.22 N ATOM 444 C4 DG B 14 1.314 -1.158 5.456 1.00 1.22 C ATOM 0 H5' DG B 14 -2.200 -2.142 9.703 1.00 1.71 H new ATOM 0 H5'' DG B 14 -3.755 -1.337 9.764 1.00 1.71 H new ATOM 0 H4' DG B 14 -2.662 0.163 8.540 1.00 1.57 H new ATOM 0 H3' DG B 14 -4.245 -1.454 6.803 1.00 1.57 H new ATOM 0 H2' DG B 14 -2.469 -2.255 5.441 1.00 1.51 H new ATOM 0 H2'' DG B 14 -2.552 -0.642 4.760 1.00 1.51 H new ATOM 0 H1' DG B 14 -0.810 0.172 6.070 1.00 1.40 H new ATOM 0 H8 DG B 14 -0.713 -3.659 5.784 1.00 1.31 H new ATOM 0 H1 DG B 14 4.696 -0.494 4.360 1.00 1.15 H new ATOM 0 H21 DG B 14 2.960 2.312 5.436 1.00 1.24 H new ATOM 0 H22 DG B 14 4.464 1.637 4.799 1.00 1.24 H new HETATM 456 P 0DC B 15 -5.313 0.724 5.808 1.00 1.92 P HETATM 457 OP1 0DC B 15 -6.140 1.614 6.662 1.00 2.40 O HETATM 458 OP2 0DC B 15 -5.829 -0.619 5.435 1.00 2.39 O HETATM 459 O5' 0DC B 15 -4.968 1.510 4.465 1.00 1.80 O HETATM 460 C5' 0DC B 15 -4.495 0.821 3.305 1.00 1.67 C HETATM 461 C4' 0DC B 15 -3.480 1.667 2.572 1.00 1.62 C HETATM 462 O4' 0DC B 15 -2.636 0.798 1.776 1.00 1.49 O HETATM 463 C3' 0DC B 15 -2.536 2.468 3.469 1.00 1.68 C HETATM 464 O3' 0DC B 15 -2.264 3.748 2.887 1.00 1.72 O HETATM 465 C2' 0DC B 15 -1.275 1.623 3.505 1.00 1.57 C HETATM 466 C1' 0DC B 15 -1.274 0.968 2.137 1.00 1.45 C HETATM 467 N1 0DC B 15 -0.626 -0.353 2.095 1.00 1.36 N HETATM 468 C2 0DC B 15 0.696 -0.443 1.652 1.00 1.29 C HETATM 469 O2 0DC B 15 1.287 0.592 1.314 1.00 1.32 O HETATM 470 N3 0DC B 15 1.297 -1.653 1.604 1.00 1.23 N HETATM 471 C4 0DC B 15 0.628 -2.745 1.981 1.00 1.24 C HETATM 472 N4 0DC B 15 1.261 -3.916 1.921 1.00 1.20 N HETATM 473 C5 0DC B 15 -0.720 -2.683 2.438 1.00 1.33 C HETATM 474 C6 0DC B 15 -1.302 -1.478 2.479 1.00 1.39 C HETATM 0 H5'' 0DC B 15 -4.046 -0.129 3.595 1.00 1.67 H new HETATM 0 H2'' 0DC B 15 -0.384 2.231 3.664 1.00 1.57 H new HETATM 0 H6 0DC B 15 -2.332 -1.392 2.824 1.00 1.39 H new HETATM 0 H5' 0DC B 15 -5.331 0.590 2.645 1.00 1.67 H new HETATM 0 H5 0DC B 15 -1.257 -3.582 2.742 1.00 1.33 H new HETATM 0 H42 0DC B 15 0.780 -4.771 2.201 1.00 1.20 H new HETATM 0 H41 0DC B 15 2.226 -3.958 1.595 1.00 1.20 H new HETATM 0 H4' 0DC B 15 -4.069 2.375 1.989 1.00 1.62 H new HETATM 0 H3' 0DC B 15 -2.948 2.659 4.460 1.00 1.68 H new HETATM 0 H2' 0DC B 15 -1.304 0.886 4.307 1.00 1.57 H new HETATM 0 H1' 0DC B 15 -0.706 1.607 1.461 1.00 1.45 H new HETATM 486 P 0DG B 16 -2.656 5.089 3.684 1.00 1.94 P HETATM 487 OP1 0DG B 16 -1.746 6.172 3.232 1.00 2.03 O HETATM 488 OP2 0DG B 16 -2.737 4.757 5.130 1.00 2.06 O HETATM 489 O5' 0DG B 16 -4.126 5.428 3.170 1.00 1.92 O HETATM 490 C5' 0DG B 16 -4.376 5.726 1.794 1.00 1.77 C HETATM 491 C4' 0DG B 16 -5.820 6.128 1.602 1.00 1.72 C HETATM 492 O4' 0DG B 16 -6.666 4.983 1.866 1.00 1.67 O HETATM 493 C3' 0DG B 16 -6.187 6.579 0.190 1.00 1.64 C HETATM 494 O3' 0DG B 16 -7.282 7.504 0.242 1.00 1.71 O HETATM 495 C2' 0DG B 16 -6.586 5.276 -0.478 1.00 1.52 C HETATM 496 C1' 0DG B 16 -7.252 4.514 0.659 1.00 1.55 C HETATM 497 N9 0DG B 16 -7.067 3.067 0.609 1.00 1.48 N HETATM 498 C8 0DG B 16 -7.953 2.106 1.030 1.00 1.48 C HETATM 499 N7 0DG B 16 -7.510 0.889 0.867 1.00 1.44 N HETATM 500 C5 0DG B 16 -6.253 1.057 0.302 1.00 1.40 C HETATM 501 C6 0DG B 16 -5.289 0.095 -0.098 1.00 1.35 C HETATM 502 O6 0DG B 16 -5.355 -1.137 -0.028 1.00 1.35 O HETATM 503 N1 0DG B 16 -4.152 0.699 -0.624 1.00 1.34 N HETATM 504 C2 0DG B 16 -3.966 2.052 -0.751 1.00 1.37 C HETATM 505 N2 0DG B 16 -2.805 2.442 -1.285 1.00 1.37 N HETATM 506 N3 0DG B 16 -4.853 2.959 -0.381 1.00 1.43 N HETATM 507 C4 0DG B 16 -5.966 2.395 0.134 1.00 1.43 C HETATM 0 H5'' 0DG B 16 -3.720 6.531 1.463 1.00 1.77 H new HETATM 0 H2'' 0DG B 16 -7.269 5.440 -1.312 1.00 1.52 H new HETATM 0 H8 0DG B 16 -8.929 2.336 1.458 1.00 1.48 H new HETATM 0 H5' 0DG B 16 -4.148 4.856 1.178 1.00 1.77 H new HETATM 0 H4' 0DG B 16 -5.964 6.968 2.281 1.00 1.72 H new HETATM 0 H3' 0DG B 16 -5.387 7.097 -0.340 1.00 1.64 H new HETATM 0 H22 0DG B 16 -2.607 3.435 -1.406 1.00 1.37 H new HETATM 0 H21 0DG B 16 -2.116 1.746 -1.572 1.00 1.37 H new HETATM 0 H2' 0DG B 16 -5.722 4.742 -0.874 1.00 1.52 H new HETATM 0 H1' 0DG B 16 -8.325 4.691 0.584 1.00 1.55 H new HETATM 0 H1 0DG B 16 -3.398 0.089 -0.940 1.00 1.34 H new HETATM 519 N1 5CM B 17 -5.956 4.418 -4.349 1.00 1.27 N HETATM 520 C2 5CM B 17 -5.109 3.315 -4.474 1.00 1.25 C HETATM 521 N3 5CM B 17 -5.451 2.147 -3.884 1.00 1.24 N HETATM 522 C4 5CM B 17 -6.588 2.058 -3.192 1.00 1.25 C HETATM 523 C5 5CM B 17 -7.474 3.168 -3.050 1.00 1.28 C HETATM 524 C5A 5CM B 17 -8.692 2.967 -2.524 1.00 1.30 C HETATM 525 C6 5CM B 17 -7.120 4.318 -3.640 1.00 1.28 C HETATM 526 O2 5CM B 17 -4.063 3.434 -5.127 1.00 1.26 O HETATM 527 N4 5CM B 17 -6.880 0.886 -2.627 1.00 1.28 N HETATM 528 C1' 5CM B 17 -5.568 5.684 -4.993 1.00 1.32 C HETATM 529 C2' 5CM B 17 -6.579 6.230 -5.986 1.00 1.32 C HETATM 530 C3' 5CM B 17 -6.318 7.723 -5.911 1.00 1.44 C HETATM 531 C4' 5CM B 17 -5.958 7.937 -4.441 1.00 1.54 C HETATM 532 O4' 5CM B 17 -5.437 6.667 -3.978 1.00 1.43 O HETATM 533 O3' 5CM B 17 -5.216 8.083 -6.753 1.00 1.48 O HETATM 534 C5' 5CM B 17 -7.114 8.349 -3.560 1.00 1.74 C HETATM 535 O5' 5CM B 17 -6.839 8.023 -2.196 1.00 1.61 O HETATM 536 P 5CM B 17 -8.010 7.968 -1.117 1.00 1.66 P HETATM 537 OP1 5CM B 17 -8.516 9.350 -0.918 1.00 1.83 O HETATM 538 OP2 5CM B 17 -8.955 6.891 -1.509 1.00 1.57 O HETATM 0 HN42 5CM B 17 -7.741 0.779 -2.090 1.00 1.28 H new HETATM 0 HN41 5CM B 17 -6.243 0.096 -2.732 1.00 1.28 H new HETATM 0 H5A3 5CM B 17 -9.242 2.257 -3.141 1.00 1.30 H new HETATM 0 H5A2 5CM B 17 -8.591 2.568 -1.515 1.00 1.30 H new HETATM 0 H5A1 5CM B 17 -9.233 3.912 -2.488 1.00 1.30 H new HETATM 0 H5'' 5CM B 17 -7.290 9.420 -3.657 1.00 1.74 H new HETATM 0 H2'' 5CM B 17 -6.418 5.837 -6.990 1.00 1.32 H new HETATM 0 H6 5CM B 17 -7.771 5.188 -3.553 1.00 1.28 H new HETATM 0 H5' 5CM B 17 -8.025 7.846 -3.885 1.00 1.74 H new HETATM 0 H4' 5CM B 17 -5.248 8.761 -4.376 1.00 1.54 H new HETATM 0 H3' 5CM B 17 -7.164 8.325 -6.241 1.00 1.44 H new HETATM 0 H2' 5CM B 17 -7.602 5.980 -5.706 1.00 1.32 H new HETATM 0 H1' 5CM B 17 -4.649 5.473 -5.540 1.00 1.32 H new ATOM 552 P DG B 18 -5.476 8.946 -8.085 1.00 1.47 P ATOM 553 OP1 DG B 18 -5.367 10.379 -7.712 1.00 1.73 O ATOM 554 OP2 DG B 18 -6.716 8.449 -8.735 1.00 1.44 O ATOM 555 O5' DG B 18 -4.242 8.585 -9.026 1.00 1.41 O ATOM 556 C5' DG B 18 -2.937 8.373 -8.483 1.00 1.57 C ATOM 557 C4' DG B 18 -2.152 7.422 -9.357 1.00 1.59 C ATOM 558 O4' DG B 18 -2.500 6.062 -9.002 1.00 1.37 O ATOM 559 C3' DG B 18 -2.425 7.543 -10.855 1.00 1.66 C ATOM 560 O3' DG B 18 -1.240 7.250 -11.602 1.00 1.92 O ATOM 561 C2' DG B 18 -3.487 6.488 -11.101 1.00 1.42 C ATOM 562 C1' DG B 18 -3.130 5.408 -10.094 1.00 1.26 C ATOM 563 N9 DG B 18 -4.272 4.667 -9.569 1.00 1.00 N ATOM 564 C8 DG B 18 -5.484 5.182 -9.181 1.00 0.94 C ATOM 565 N7 DG B 18 -6.311 4.277 -8.738 1.00 0.81 N ATOM 566 C5 DG B 18 -5.603 3.087 -8.842 1.00 0.74 C ATOM 567 C6 DG B 18 -5.981 1.761 -8.511 1.00 0.70 C ATOM 568 O6 DG B 18 -7.053 1.360 -8.046 1.00 0.79 O ATOM 569 N1 DG B 18 -4.958 0.856 -8.773 1.00 0.69 N ATOM 570 C2 DG B 18 -3.732 1.184 -9.293 1.00 0.76 C ATOM 571 N2 DG B 18 -2.880 0.169 -9.480 1.00 0.82 N ATOM 572 N3 DG B 18 -3.366 2.415 -9.608 1.00 0.89 N ATOM 573 C4 DG B 18 -4.344 3.310 -9.357 1.00 0.85 C ATOM 0 H5' DG B 18 -3.017 7.968 -7.474 1.00 1.57 H new ATOM 0 H5'' DG B 18 -2.410 9.324 -8.404 1.00 1.57 H new ATOM 0 H4' DG B 18 -1.107 7.679 -9.182 1.00 1.59 H new ATOM 0 H3' DG B 18 -2.738 8.542 -11.158 1.00 1.66 H new ATOM 0 H2' DG B 18 -4.491 6.879 -10.936 1.00 1.42 H new ATOM 0 H2'' DG B 18 -3.455 6.113 -12.124 1.00 1.42 H new ATOM 0 H1' DG B 18 -2.500 4.680 -10.605 1.00 1.26 H new ATOM 0 H8 DG B 18 -5.728 6.233 -9.237 1.00 0.94 H new ATOM 0 H1 DG B 18 -5.133 -0.127 -8.562 1.00 0.69 H new ATOM 0 H21 DG B 18 -1.952 0.346 -9.864 1.00 0.82 H new ATOM 0 H22 DG B 18 -3.159 -0.782 -9.239 1.00 0.82 H new HETATM 585 N1 5CM B 19 -4.271 3.524 -13.738 1.00 1.40 N HETATM 586 C2 5CM B 19 -4.886 2.381 -13.218 1.00 1.19 C HETATM 587 N3 5CM B 19 -6.008 2.512 -12.474 1.00 1.06 N HETATM 588 C4 5CM B 19 -6.518 3.724 -12.245 1.00 1.12 C HETATM 589 C5 5CM B 19 -5.915 4.907 -12.766 1.00 1.30 C HETATM 590 C5A 5CM B 19 -6.576 6.071 -12.673 1.00 1.35 C HETATM 591 C6 5CM B 19 -4.802 4.761 -13.499 1.00 1.44 C HETATM 592 O2 5CM B 19 -4.387 1.272 -13.454 1.00 1.17 O HETATM 593 N4 5CM B 19 -7.624 3.804 -11.504 1.00 1.10 N HETATM 594 C1' 5CM B 19 -3.045 3.367 -14.539 1.00 1.64 C HETATM 595 C2' 5CM B 19 -2.981 4.198 -15.802 1.00 1.96 C HETATM 596 C3' 5CM B 19 -1.483 4.288 -16.043 1.00 2.17 C HETATM 597 C4' 5CM B 19 -0.878 4.206 -14.636 1.00 2.01 C HETATM 598 O4' 5CM B 19 -1.955 3.803 -13.756 1.00 1.68 O HETATM 599 O3' 5CM B 19 -1.030 3.184 -16.836 1.00 2.28 O HETATM 600 C5' 5CM B 19 -0.288 5.497 -14.118 1.00 2.19 C HETATM 601 O5' 5CM B 19 -1.304 6.496 -14.010 1.00 2.16 O HETATM 602 P 5CM B 19 -1.087 7.792 -13.109 1.00 2.21 P HETATM 603 OP1 5CM B 19 0.313 8.254 -13.289 1.00 2.64 O HETATM 604 OP2 5CM B 19 -2.207 8.730 -13.379 1.00 2.15 O HETATM 0 HN42 5CM B 19 -8.042 4.714 -11.308 1.00 1.10 H new HETATM 0 HN41 5CM B 19 -8.052 2.956 -11.133 1.00 1.10 H new HETATM 0 H5A3 5CM B 19 -7.526 5.994 -13.203 1.00 1.35 H new HETATM 0 H5A2 5CM B 19 -6.763 6.300 -11.624 1.00 1.35 H new HETATM 0 H5A1 5CM B 19 -5.977 6.866 -13.117 1.00 1.35 H new HETATM 0 H5'' 5CM B 19 0.173 5.330 -13.144 1.00 2.19 H new HETATM 0 H2'' 5CM B 19 -3.500 3.719 -16.632 1.00 1.96 H new HETATM 0 H6 5CM B 19 -4.312 5.643 -13.911 1.00 1.44 H new HETATM 0 H5' 5CM B 19 0.500 5.840 -14.789 1.00 2.19 H new HETATM 0 H4' 5CM B 19 -0.045 3.504 -14.673 1.00 2.01 H new HETATM 0 H3' 5CM B 19 -1.201 5.194 -16.579 1.00 2.17 H new HETATM 0 H2' 5CM B 19 -3.433 5.181 -15.668 1.00 1.96 H new HETATM 0 H1' 5CM B 19 -3.026 2.316 -14.827 1.00 1.64 H new ATOM 618 P DG B 20 -1.177 3.234 -18.438 1.00 2.61 P ATOM 619 OP1 DG B 20 0.191 3.358 -19.004 1.00 2.88 O ATOM 620 OP2 DG B 20 -2.210 4.242 -18.789 1.00 2.75 O ATOM 621 O5' DG B 20 -1.742 1.793 -18.816 1.00 2.51 O ATOM 622 C5' DG B 20 -1.032 0.606 -18.455 1.00 2.36 C ATOM 623 C4' DG B 20 -1.928 -0.603 -18.594 1.00 2.27 C ATOM 624 O4' DG B 20 -2.945 -0.553 -17.564 1.00 2.01 O ATOM 625 C3' DG B 20 -2.680 -0.706 -19.921 1.00 2.58 C ATOM 626 O3' DG B 20 -2.812 -2.072 -20.323 1.00 2.62 O ATOM 627 C2' DG B 20 -4.040 -0.113 -19.601 1.00 2.55 C ATOM 628 C1' DG B 20 -4.238 -0.497 -18.145 1.00 2.17 C ATOM 629 N9 DG B 20 -5.035 0.452 -17.373 1.00 2.07 N ATOM 630 C8 DG B 20 -4.907 1.819 -17.362 1.00 2.16 C ATOM 631 N7 DG B 20 -5.761 2.410 -16.572 1.00 2.07 N ATOM 632 C5 DG B 20 -6.500 1.368 -16.027 1.00 1.91 C ATOM 633 C6 DG B 20 -7.575 1.388 -15.101 1.00 1.82 C ATOM 634 O6 DG B 20 -8.106 2.364 -14.558 1.00 1.84 O ATOM 635 N1 DG B 20 -8.034 0.106 -14.821 1.00 1.77 N ATOM 636 C2 DG B 20 -7.524 -1.048 -15.361 1.00 1.78 C ATOM 637 N2 DG B 20 -8.098 -2.189 -14.965 1.00 1.80 N ATOM 638 N3 DG B 20 -6.524 -1.082 -16.225 1.00 1.84 N ATOM 639 C4 DG B 20 -6.063 0.153 -16.512 1.00 1.91 C ATOM 0 H5' DG B 20 -0.674 0.686 -17.429 1.00 2.36 H new ATOM 0 H5'' DG B 20 -0.154 0.492 -19.091 1.00 2.36 H new ATOM 0 H4' DG B 20 -1.257 -1.459 -18.522 1.00 2.27 H new ATOM 0 H3' DG B 20 -2.171 -0.196 -20.739 1.00 2.58 H new ATOM 0 H2' DG B 20 -4.053 0.968 -19.740 1.00 2.55 H new ATOM 0 H2'' DG B 20 -4.822 -0.526 -20.239 1.00 2.55 H new ATOM 0 HO3' DG B 20 -3.297 -2.117 -21.173 1.00 2.62 H new ATOM 0 H1' DG B 20 -4.781 -1.442 -18.123 1.00 2.17 H new ATOM 0 H8 DG B 20 -4.173 2.352 -17.948 1.00 2.16 H new ATOM 0 H1 DG B 20 -8.809 0.016 -14.164 1.00 1.77 H new ATOM 0 H21 DG B 20 -7.765 -3.081 -15.330 1.00 1.80 H new ATOM 0 H22 DG B 20 -8.869 -2.167 -14.298 1.00 1.80 H new TER 652 DG B 20