USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 160 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 DG O5' : rot -96:sc= 1.14 USER MOD Set 1.2: B 1 DG O5' : rot 179:sc= 1.1 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.527 (180deg=-0.527) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.532 (180deg=-0.532) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.677 0.533 1.152 1.00 0.79 O ATOM 2 C5' DG A 1 -8.282 1.886 1.381 1.00 0.66 C ATOM 3 C4' DG A 1 -6.841 1.897 1.979 1.00 0.49 C ATOM 4 O4' DG A 1 -5.955 1.213 1.072 1.00 0.40 O ATOM 5 C3' DG A 1 -6.048 3.137 2.495 1.00 0.47 C ATOM 6 O3' DG A 1 -5.305 3.028 3.728 1.00 0.48 O ATOM 7 C2' DG A 1 -5.051 3.367 1.368 1.00 0.38 C ATOM 8 C1' DG A 1 -4.748 1.952 0.864 1.00 0.35 C ATOM 9 N9 DG A 1 -4.543 1.874 -0.603 1.00 0.33 N ATOM 10 C8 DG A 1 -3.680 1.068 -1.308 1.00 0.37 C ATOM 11 N7 DG A 1 -3.745 1.240 -2.593 1.00 0.40 N ATOM 12 C5 DG A 1 -4.711 2.215 -2.772 1.00 0.37 C ATOM 13 C6 DG A 1 -5.195 2.793 -3.969 1.00 0.44 C ATOM 14 O6 DG A 1 -4.853 2.544 -5.121 1.00 0.48 O ATOM 15 N1 DG A 1 -6.166 3.741 -3.728 1.00 0.51 N ATOM 16 C2 DG A 1 -6.623 4.097 -2.486 1.00 0.53 C ATOM 17 N2 DG A 1 -7.562 5.023 -2.448 1.00 0.66 N ATOM 18 N3 DG A 1 -6.173 3.559 -1.352 1.00 0.47 N ATOM 19 C4 DG A 1 -5.213 2.620 -1.565 1.00 0.36 C ATOM 0 H5' DG A 1 -8.978 2.371 2.065 1.00 0.66 H new ATOM 0 H5'' DG A 1 -8.307 2.449 0.448 1.00 0.66 H new ATOM 0 H4' DG A 1 -7.121 1.457 2.936 1.00 0.49 H new ATOM 0 H3' DG A 1 -6.768 3.920 2.731 1.00 0.47 H new ATOM 0 H2' DG A 1 -5.472 3.992 0.581 1.00 0.38 H new ATOM 0 H2'' DG A 1 -4.151 3.867 1.724 1.00 0.38 H new ATOM 0 HO5' DG A 1 -8.500 0.294 0.218 1.00 0.79 H new ATOM 0 H1' DG A 1 -3.852 1.600 1.375 1.00 0.35 H new ATOM 0 H8 DG A 1 -3.013 0.361 -0.838 1.00 0.37 H new ATOM 0 H1 DG A 1 -6.575 4.213 -4.534 1.00 0.51 H new ATOM 0 H21 DG A 1 -7.941 5.329 -1.552 1.00 0.66 H new ATOM 0 H22 DG A 1 -7.909 5.433 -3.315 1.00 0.66 H new ATOM 32 P DG A 2 -4.477 1.738 4.215 1.00 0.47 P ATOM 33 OP1 DG A 2 -5.162 0.532 3.713 1.00 0.56 O ATOM 34 OP2 DG A 2 -4.277 1.868 5.676 1.00 0.62 O ATOM 35 O5' DG A 2 -3.030 1.898 3.483 1.00 0.41 O ATOM 36 C5' DG A 2 -2.100 2.829 4.076 1.00 0.36 C ATOM 37 C4' DG A 2 -1.321 3.741 3.009 1.00 0.33 C ATOM 38 O4' DG A 2 -1.889 3.801 1.671 1.00 0.37 O ATOM 39 C3' DG A 2 -1.007 5.248 3.314 1.00 0.32 C ATOM 40 O3' DG A 2 0.237 5.874 2.984 1.00 0.37 O ATOM 41 C2' DG A 2 -1.934 5.959 2.327 1.00 0.33 C ATOM 42 C1' DG A 2 -1.623 5.101 1.104 1.00 0.32 C ATOM 43 N9 DG A 2 -2.512 5.420 -0.041 1.00 0.31 N ATOM 44 C8 DG A 2 -3.731 6.074 -0.041 1.00 0.34 C ATOM 45 N7 DG A 2 -4.280 6.175 -1.200 1.00 0.36 N ATOM 46 C5 DG A 2 -3.382 5.557 -2.051 1.00 0.32 C ATOM 47 C6 DG A 2 -3.464 5.374 -3.443 1.00 0.34 C ATOM 48 O6 DG A 2 -4.329 5.730 -4.244 1.00 0.39 O ATOM 49 N1 DG A 2 -2.365 4.714 -3.904 1.00 0.34 N ATOM 50 C2 DG A 2 -1.307 4.277 -3.162 1.00 0.33 C ATOM 51 N2 DG A 2 -0.350 3.700 -3.876 1.00 0.39 N ATOM 52 N3 DG A 2 -1.201 4.432 -1.851 1.00 0.31 N ATOM 53 C4 DG A 2 -2.288 5.088 -1.360 1.00 0.29 C ATOM 0 H5' DG A 2 -1.371 2.273 4.665 1.00 0.36 H new ATOM 0 H5'' DG A 2 -2.640 3.477 4.767 1.00 0.36 H new ATOM 0 H4' DG A 2 -0.406 3.154 3.091 1.00 0.33 H new ATOM 0 H3' DG A 2 -1.071 5.307 4.401 1.00 0.32 H new ATOM 0 H2' DG A 2 -2.983 5.919 2.621 1.00 0.33 H new ATOM 0 H2'' DG A 2 -1.682 7.010 2.186 1.00 0.33 H new ATOM 0 H1' DG A 2 -0.628 5.226 0.678 1.00 0.32 H new ATOM 0 H8 DG A 2 -4.184 6.467 0.857 1.00 0.34 H new ATOM 0 H1 DG A 2 -2.330 4.528 -4.906 1.00 0.34 H new ATOM 0 H21 DG A 2 0.484 3.339 -3.413 1.00 0.39 H new ATOM 0 H22 DG A 2 -0.448 3.617 -4.888 1.00 0.39 H new ATOM 65 P DA A 3 0.597 7.311 3.661 1.00 0.40 P ATOM 66 OP1 DA A 3 -0.318 7.567 4.795 1.00 0.54 O ATOM 67 OP2 DA A 3 0.725 8.301 2.565 1.00 0.52 O ATOM 68 O5' DA A 3 2.066 6.955 4.221 1.00 0.49 O ATOM 69 C5' DA A 3 2.256 5.695 4.886 1.00 0.50 C ATOM 70 C4' DA A 3 3.316 4.774 4.152 1.00 0.40 C ATOM 71 O4' DA A 3 2.913 4.594 2.773 1.00 0.37 O ATOM 72 C3' DA A 3 4.827 5.160 4.030 1.00 0.43 C ATOM 73 O3' DA A 3 5.767 4.114 3.694 1.00 0.49 O ATOM 74 C2' DA A 3 4.820 5.933 2.734 1.00 0.40 C ATOM 75 C1' DA A 3 3.992 4.967 1.893 1.00 0.33 C ATOM 76 N9 DA A 3 3.469 5.672 0.722 1.00 0.30 N ATOM 77 C8 DA A 3 2.389 6.489 0.636 1.00 0.31 C ATOM 78 N7 DA A 3 2.194 6.998 -0.549 1.00 0.30 N ATOM 79 C5 DA A 3 3.236 6.466 -1.294 1.00 0.31 C ATOM 80 C6 DA A 3 3.620 6.600 -2.626 1.00 0.36 C ATOM 81 N6 DA A 3 2.978 7.328 -3.510 1.00 0.40 N ATOM 82 N1 DA A 3 4.696 5.940 -3.038 1.00 0.41 N ATOM 83 C2 DA A 3 5.355 5.186 -2.181 1.00 0.39 C ATOM 84 N3 DA A 3 5.104 4.973 -0.900 1.00 0.35 N ATOM 85 C4 DA A 3 4.013 5.657 -0.521 1.00 0.31 C ATOM 0 H5' DA A 3 1.302 5.171 4.943 1.00 0.50 H new ATOM 0 H5'' DA A 3 2.583 5.874 5.910 1.00 0.50 H new ATOM 0 H4' DA A 3 3.294 3.926 4.836 1.00 0.40 H new ATOM 0 H3' DA A 3 5.129 5.591 4.984 1.00 0.43 H new ATOM 0 H2' DA A 3 4.355 6.914 2.830 1.00 0.40 H new ATOM 0 H2'' DA A 3 5.821 6.092 2.332 1.00 0.40 H new ATOM 0 H1' DA A 3 4.557 4.108 1.530 1.00 0.33 H new ATOM 0 H8 DA A 3 1.745 6.700 1.477 1.00 0.31 H new ATOM 0 H61 DA A 3 3.317 7.380 -4.471 1.00 0.40 H new ATOM 0 H62 DA A 3 2.140 7.841 -3.236 1.00 0.40 H new ATOM 0 H2 DA A 3 6.217 4.672 -2.579 1.00 0.39 H new ATOM 97 P DG A 4 6.656 3.200 4.674 1.00 0.65 P ATOM 98 OP1 DG A 4 7.514 4.091 5.494 1.00 0.86 O ATOM 99 OP2 DG A 4 7.267 2.133 3.849 1.00 1.01 O ATOM 100 O5' DG A 4 5.533 2.528 5.623 1.00 0.63 O ATOM 101 C5' DG A 4 5.213 3.048 6.927 1.00 0.40 C ATOM 102 C4' DG A 4 4.135 2.243 7.662 1.00 0.39 C ATOM 103 O4' DG A 4 2.928 2.160 6.871 1.00 0.41 O ATOM 104 C3' DG A 4 4.457 0.811 8.073 1.00 0.38 C ATOM 105 O3' DG A 4 3.746 0.351 9.247 1.00 0.51 O ATOM 106 C2' DG A 4 4.019 0.152 6.769 1.00 0.38 C ATOM 107 C1' DG A 4 2.630 0.784 6.592 1.00 0.38 C ATOM 108 N9 DG A 4 2.060 0.692 5.210 1.00 0.35 N ATOM 109 C8 DG A 4 2.643 1.007 4.002 1.00 0.36 C ATOM 110 N7 DG A 4 1.883 0.805 2.960 1.00 0.36 N ATOM 111 C5 DG A 4 0.701 0.320 3.512 1.00 0.35 C ATOM 112 C6 DG A 4 -0.506 -0.079 2.870 1.00 0.36 C ATOM 113 O6 DG A 4 -0.794 -0.088 1.677 1.00 0.39 O ATOM 114 N1 DG A 4 -1.439 -0.500 3.786 1.00 0.39 N ATOM 115 C2 DG A 4 -1.264 -0.542 5.137 1.00 0.43 C ATOM 116 N2 DG A 4 -2.308 -0.970 5.826 1.00 0.52 N ATOM 117 N3 DG A 4 -0.148 -0.175 5.760 1.00 0.41 N ATOM 118 C4 DG A 4 0.798 0.247 4.883 1.00 0.36 C ATOM 0 H5' DG A 4 4.877 4.080 6.825 1.00 0.40 H new ATOM 0 H5'' DG A 4 6.118 3.066 7.534 1.00 0.40 H new ATOM 0 H4' DG A 4 4.038 2.817 8.583 1.00 0.39 H new ATOM 0 H3' DG A 4 5.479 0.615 8.397 1.00 0.38 H new ATOM 0 H2' DG A 4 4.689 0.384 5.941 1.00 0.38 H new ATOM 0 H2'' DG A 4 3.974 -0.934 6.848 1.00 0.38 H new ATOM 0 H1' DG A 4 1.886 0.289 7.216 1.00 0.38 H new ATOM 0 H8 DG A 4 3.649 1.391 3.923 1.00 0.36 H new ATOM 0 H1 DG A 4 -2.341 -0.808 3.424 1.00 0.39 H new ATOM 0 H21 DG A 4 -2.258 -1.031 6.843 1.00 0.52 H new ATOM 0 H22 DG A 4 -3.164 -1.239 5.341 1.00 0.52 H new ATOM 130 P DG A 5 4.356 -0.798 10.223 1.00 0.69 P ATOM 131 OP1 DG A 5 3.641 -0.775 11.523 1.00 0.97 O ATOM 132 OP2 DG A 5 5.832 -0.677 10.194 1.00 0.81 O ATOM 133 O5' DG A 5 3.939 -2.108 9.363 1.00 0.60 O ATOM 134 C5' DG A 5 2.564 -2.471 9.136 1.00 0.51 C ATOM 135 C4' DG A 5 2.332 -3.430 7.904 1.00 0.44 C ATOM 136 O4' DG A 5 2.576 -2.806 6.605 1.00 0.40 O ATOM 137 C3' DG A 5 3.053 -4.802 7.800 1.00 0.45 C ATOM 138 O3' DG A 5 2.313 -5.925 7.213 1.00 0.49 O ATOM 139 C2' DG A 5 4.124 -4.470 6.768 1.00 0.44 C ATOM 140 C1' DG A 5 3.289 -3.714 5.732 1.00 0.35 C ATOM 141 N9 DG A 5 4.092 -3.039 4.661 1.00 0.33 N ATOM 142 C8 DG A 5 5.417 -2.652 4.680 1.00 0.36 C ATOM 143 N7 DG A 5 5.825 -2.078 3.590 1.00 0.37 N ATOM 144 C5 DG A 5 4.708 -2.079 2.762 1.00 0.33 C ATOM 145 C6 DG A 5 4.558 -1.584 1.428 1.00 0.34 C ATOM 146 O6 DG A 5 5.380 -1.050 0.692 1.00 0.41 O ATOM 147 N1 DG A 5 3.280 -1.785 0.969 1.00 0.33 N ATOM 148 C2 DG A 5 2.290 -2.380 1.689 1.00 0.30 C ATOM 149 N2 DG A 5 1.145 -2.523 1.076 1.00 0.34 N ATOM 150 N3 DG A 5 2.390 -2.851 2.926 1.00 0.29 N ATOM 151 C4 DG A 5 3.641 -2.665 3.403 1.00 0.30 C ATOM 0 H5' DG A 5 1.982 -1.562 8.986 1.00 0.51 H new ATOM 0 H5'' DG A 5 2.176 -2.954 10.033 1.00 0.51 H new ATOM 0 H4' DG A 5 1.287 -3.633 8.139 1.00 0.44 H new ATOM 0 H3' DG A 5 3.317 -5.136 8.804 1.00 0.45 H new ATOM 0 H2' DG A 5 4.924 -3.857 7.183 1.00 0.44 H new ATOM 0 H2'' DG A 5 4.590 -5.363 6.353 1.00 0.44 H new ATOM 0 H1' DG A 5 2.650 -4.348 5.118 1.00 0.35 H new ATOM 0 H8 DG A 5 6.061 -2.814 5.532 1.00 0.36 H new ATOM 0 H1 DG A 5 3.057 -1.467 0.026 1.00 0.33 H new ATOM 0 H21 DG A 5 0.360 -2.961 1.558 1.00 0.34 H new ATOM 0 H22 DG A 5 1.036 -2.196 0.116 1.00 0.34 H new ATOM 163 P DA A 6 1.723 -7.160 8.094 1.00 0.42 P ATOM 164 OP1 DA A 6 2.812 -7.586 8.994 1.00 0.79 O ATOM 165 OP2 DA A 6 1.057 -8.145 7.208 1.00 0.60 O ATOM 166 O5' DA A 6 0.658 -6.288 8.931 1.00 0.67 O ATOM 167 C5' DA A 6 -0.659 -6.558 9.430 1.00 0.44 C ATOM 168 C4' DA A 6 -1.711 -7.143 8.421 1.00 0.44 C ATOM 169 O4' DA A 6 -1.688 -6.499 7.121 1.00 0.48 O ATOM 170 C3' DA A 6 -1.566 -8.605 8.021 1.00 0.44 C ATOM 171 O3' DA A 6 -1.780 -9.573 9.062 1.00 0.53 O ATOM 172 C2' DA A 6 -2.551 -8.685 6.844 1.00 0.49 C ATOM 173 C1' DA A 6 -2.190 -7.397 6.093 1.00 0.41 C ATOM 174 N9 DA A 6 -1.288 -7.532 4.911 1.00 0.35 N ATOM 175 C8 DA A 6 0.010 -7.135 4.774 1.00 0.34 C ATOM 176 N7 DA A 6 0.539 -7.395 3.606 1.00 0.34 N ATOM 177 C5 DA A 6 -0.489 -8.012 2.906 1.00 0.32 C ATOM 178 C6 DA A 6 -0.580 -8.538 1.602 1.00 0.33 C ATOM 179 N6 DA A 6 0.413 -8.532 0.714 1.00 0.35 N ATOM 180 N1 DA A 6 -1.751 -9.070 1.246 1.00 0.37 N ATOM 181 C2 DA A 6 -2.762 -9.089 2.105 1.00 0.41 C ATOM 182 N3 DA A 6 -2.798 -8.634 3.350 1.00 0.39 N ATOM 183 C4 DA A 6 -1.606 -8.099 3.692 1.00 0.33 C ATOM 0 H5' DA A 6 -1.062 -5.630 9.835 1.00 0.44 H new ATOM 0 H5'' DA A 6 -0.567 -7.256 10.262 1.00 0.44 H new ATOM 0 H4' DA A 6 -2.610 -6.977 9.015 1.00 0.44 H new ATOM 0 H3' DA A 6 -0.542 -8.877 7.765 1.00 0.44 H new ATOM 0 H2' DA A 6 -2.399 -9.577 6.236 1.00 0.49 H new ATOM 0 H2'' DA A 6 -3.590 -8.696 7.173 1.00 0.49 H new ATOM 0 H1' DA A 6 -3.076 -7.009 5.591 1.00 0.41 H new ATOM 0 H8 DA A 6 0.557 -6.645 5.566 1.00 0.34 H new ATOM 0 H61 DA A 6 0.271 -8.933 -0.213 1.00 0.35 H new ATOM 0 H62 DA A 6 1.316 -8.127 0.961 1.00 0.35 H new ATOM 0 H2 DA A 6 -3.677 -9.534 1.742 1.00 0.41 H new ATOM 195 P DT A 7 -3.188 -10.259 9.461 1.00 0.67 P ATOM 196 OP1 DT A 7 -4.282 -9.281 9.248 1.00 0.82 O ATOM 197 OP2 DT A 7 -3.036 -10.938 10.768 1.00 0.83 O ATOM 198 O5' DT A 7 -3.238 -11.389 8.300 1.00 0.70 O ATOM 199 C5' DT A 7 -4.405 -11.714 7.535 1.00 0.79 C ATOM 200 C4' DT A 7 -4.076 -12.368 6.177 1.00 0.81 C ATOM 201 O4' DT A 7 -3.258 -11.558 5.309 1.00 0.78 O ATOM 202 C3' DT A 7 -3.383 -13.685 6.180 1.00 0.87 C ATOM 203 O3' DT A 7 -4.280 -14.716 6.531 1.00 0.98 O ATOM 204 C2' DT A 7 -2.756 -13.835 4.773 1.00 0.91 C ATOM 205 C1' DT A 7 -2.627 -12.376 4.286 1.00 0.84 C ATOM 206 N1 DT A 7 -1.224 -11.926 4.146 1.00 0.79 N ATOM 207 C2 DT A 7 -0.648 -11.777 2.888 1.00 0.92 C ATOM 208 O2 DT A 7 -1.243 -11.997 1.844 1.00 1.04 O ATOM 209 N3 DT A 7 0.666 -11.358 2.867 1.00 0.94 N ATOM 210 C4 DT A 7 1.440 -11.081 3.978 1.00 0.84 C ATOM 211 O4 DT A 7 2.611 -10.726 3.832 1.00 0.95 O ATOM 212 C5 DT A 7 0.752 -11.265 5.248 1.00 0.69 C ATOM 213 C7 DT A 7 1.414 -10.999 6.614 1.00 0.63 C ATOM 214 C6 DT A 7 -0.522 -11.672 5.275 1.00 0.68 C ATOM 0 H5' DT A 7 -4.984 -10.807 7.364 1.00 0.79 H new ATOM 0 H5'' DT A 7 -5.035 -12.390 8.114 1.00 0.79 H new ATOM 0 H4' DT A 7 -5.101 -12.494 5.827 1.00 0.81 H new ATOM 0 H3' DT A 7 -2.595 -13.750 6.930 1.00 0.87 H new ATOM 0 H2' DT A 7 -1.787 -14.332 4.815 1.00 0.91 H new ATOM 0 H2'' DT A 7 -3.389 -14.426 4.111 1.00 0.91 H new ATOM 0 HO3' DT A 7 -3.809 -15.575 6.527 1.00 0.98 H new ATOM 0 H1' DT A 7 -3.086 -12.292 3.301 1.00 0.84 H new ATOM 0 H3 DT A 7 1.104 -11.243 1.953 1.00 0.94 H new ATOM 0 H71 DT A 7 0.656 -10.684 7.331 1.00 0.63 H new ATOM 0 H72 DT A 7 1.893 -11.911 6.970 1.00 0.63 H new ATOM 0 H73 DT A 7 2.162 -10.214 6.509 1.00 0.63 H new ATOM 0 H6 DT A 7 -1.007 -11.802 6.231 1.00 0.68 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.560 -0.926 -1.052 1.00 0.80 O ATOM 230 C5' DG B 1 -8.133 -2.265 -1.299 1.00 0.70 C ATOM 231 C4' DG B 1 -6.678 -2.210 -1.859 1.00 0.51 C ATOM 232 O4' DG B 1 -5.855 -1.476 -0.932 1.00 0.39 O ATOM 233 C3' DG B 1 -5.815 -3.404 -2.354 1.00 0.45 C ATOM 234 O3' DG B 1 -5.048 -3.256 -3.568 1.00 0.45 O ATOM 235 C2' DG B 1 -4.832 -3.581 -1.202 1.00 0.37 C ATOM 236 C1' DG B 1 -4.618 -2.151 -0.690 1.00 0.34 C ATOM 237 N9 DG B 1 -4.458 -2.063 0.781 1.00 0.34 N ATOM 238 C8 DG B 1 -3.656 -1.215 1.507 1.00 0.39 C ATOM 239 N7 DG B 1 -3.748 -1.389 2.791 1.00 0.40 N ATOM 240 C5 DG B 1 -4.666 -2.412 2.946 1.00 0.38 C ATOM 241 C6 DG B 1 -5.154 -3.014 4.131 1.00 0.43 C ATOM 242 O6 DG B 1 -4.856 -2.749 5.291 1.00 0.48 O ATOM 243 N1 DG B 1 -6.068 -4.009 3.864 1.00 0.49 N ATOM 244 C2 DG B 1 -6.471 -4.388 2.610 1.00 0.52 C ATOM 245 N2 DG B 1 -7.363 -5.360 2.547 1.00 0.68 N ATOM 246 N3 DG B 1 -6.020 -3.827 1.488 1.00 0.46 N ATOM 247 C4 DG B 1 -5.115 -2.841 1.727 1.00 0.37 C ATOM 0 H5' DG B 1 -8.798 -2.752 -2.012 1.00 0.70 H new ATOM 0 H5'' DG B 1 -8.166 -2.851 -0.381 1.00 0.70 H new ATOM 0 H4' DG B 1 -6.953 -1.793 -2.828 1.00 0.51 H new ATOM 0 H3' DG B 1 -6.489 -4.223 -2.607 1.00 0.45 H new ATOM 0 H2' DG B 1 -5.237 -4.229 -0.425 1.00 0.37 H new ATOM 0 H2'' DG B 1 -3.898 -4.031 -1.537 1.00 0.37 H new ATOM 0 HO5' DG B 1 -9.480 -0.933 -0.715 1.00 0.80 H new ATOM 0 H1' DG B 1 -3.727 -1.753 -1.176 1.00 0.34 H new ATOM 0 H8 DG B 1 -3.012 -0.476 1.054 1.00 0.39 H new ATOM 0 H1 DG B 1 -6.476 -4.501 4.659 1.00 0.49 H new ATOM 0 H21 DG B 1 -7.701 -5.684 1.641 1.00 0.68 H new ATOM 0 H22 DG B 1 -7.714 -5.786 3.405 1.00 0.68 H new ATOM 260 P DG B 2 -4.271 -1.927 -4.034 1.00 0.47 P ATOM 261 OP1 DG B 2 -5.030 -0.756 -3.552 1.00 0.57 O ATOM 262 OP2 DG B 2 -4.025 -2.045 -5.488 1.00 0.62 O ATOM 263 O5' DG B 2 -2.839 -2.011 -3.262 1.00 0.41 O ATOM 264 C5' DG B 2 -1.844 -2.889 -3.827 1.00 0.37 C ATOM 265 C4' DG B 2 -1.046 -3.756 -2.738 1.00 0.34 C ATOM 266 O4' DG B 2 -1.650 -3.849 -1.418 1.00 0.36 O ATOM 267 C3' DG B 2 -0.642 -5.243 -3.038 1.00 0.34 C ATOM 268 O3' DG B 2 0.618 -5.812 -2.665 1.00 0.35 O ATOM 269 C2' DG B 2 -1.564 -6.007 -2.083 1.00 0.36 C ATOM 270 C1' DG B 2 -1.334 -5.136 -0.845 1.00 0.33 C ATOM 271 N9 DG B 2 -2.236 -5.501 0.276 1.00 0.31 N ATOM 272 C8 DG B 2 -3.419 -6.217 0.246 1.00 0.35 C ATOM 273 N7 DG B 2 -3.993 -6.344 1.391 1.00 0.36 N ATOM 274 C5 DG B 2 -3.151 -5.682 2.264 1.00 0.31 C ATOM 275 C6 DG B 2 -3.279 -5.502 3.654 1.00 0.34 C ATOM 276 O6 DG B 2 -4.146 -5.900 4.431 1.00 0.40 O ATOM 277 N1 DG B 2 -2.229 -4.785 4.141 1.00 0.34 N ATOM 278 C2 DG B 2 -1.175 -4.293 3.427 1.00 0.34 C ATOM 279 N2 DG B 2 -0.268 -3.667 4.161 1.00 0.39 N ATOM 280 N3 DG B 2 -1.027 -4.446 2.119 1.00 0.32 N ATOM 281 C4 DG B 2 -2.064 -5.157 1.601 1.00 0.30 C ATOM 0 H5' DG B 2 -1.130 -2.294 -4.397 1.00 0.37 H new ATOM 0 H5'' DG B 2 -2.329 -3.566 -4.531 1.00 0.37 H new ATOM 0 H4' DG B 2 -0.162 -3.121 -2.789 1.00 0.34 H new ATOM 0 H3' DG B 2 -0.663 -5.295 -4.127 1.00 0.34 H new ATOM 0 H2' DG B 2 -2.604 -6.019 -2.410 1.00 0.36 H new ATOM 0 H2'' DG B 2 -1.264 -7.045 -1.938 1.00 0.36 H new ATOM 0 H1' DG B 2 -0.347 -5.213 -0.390 1.00 0.33 H new ATOM 0 H8 DG B 2 -3.827 -6.635 -0.663 1.00 0.35 H new ATOM 0 H1 DG B 2 -2.230 -4.596 5.143 1.00 0.34 H new ATOM 0 H21 DG B 2 0.558 -3.264 3.717 1.00 0.39 H new ATOM 0 H22 DG B 2 -0.395 -3.588 5.170 1.00 0.39 H new ATOM 293 P DA B 3 1.066 -7.229 -3.334 1.00 0.39 P ATOM 294 OP1 DA B 3 0.193 -7.529 -4.493 1.00 0.52 O ATOM 295 OP2 DA B 3 1.215 -8.213 -2.235 1.00 0.49 O ATOM 296 O5' DA B 3 2.528 -6.797 -3.857 1.00 0.50 O ATOM 297 C5' DA B 3 2.665 -5.526 -4.514 1.00 0.49 C ATOM 298 C4' DA B 3 3.663 -4.555 -3.757 1.00 0.41 C ATOM 299 O4' DA B 3 3.216 -4.398 -2.389 1.00 0.38 O ATOM 300 C3' DA B 3 5.188 -4.862 -3.597 1.00 0.44 C ATOM 301 O3' DA B 3 6.063 -3.768 -3.237 1.00 0.47 O ATOM 302 C2' DA B 3 5.193 -5.630 -2.299 1.00 0.40 C ATOM 303 C1' DA B 3 4.288 -4.714 -1.479 1.00 0.33 C ATOM 304 N9 DA B 3 3.769 -5.445 -0.321 1.00 0.29 N ATOM 305 C8 DA B 3 2.730 -6.315 -0.264 1.00 0.30 C ATOM 306 N7 DA B 3 2.530 -6.837 0.914 1.00 0.32 N ATOM 307 C5 DA B 3 3.523 -6.255 1.690 1.00 0.31 C ATOM 308 C6 DA B 3 3.874 -6.375 3.034 1.00 0.35 C ATOM 309 N6 DA B 3 3.238 -7.143 3.896 1.00 0.39 N ATOM 310 N1 DA B 3 4.904 -5.660 3.474 1.00 0.38 N ATOM 311 C2 DA B 3 5.548 -4.872 2.632 1.00 0.37 C ATOM 312 N3 DA B 3 5.323 -4.670 1.345 1.00 0.34 N ATOM 313 C4 DA B 3 4.278 -5.406 0.937 1.00 0.30 C ATOM 0 H5' DA B 3 1.687 -5.051 -4.587 1.00 0.49 H new ATOM 0 H5'' DA B 3 3.019 -5.684 -5.533 1.00 0.49 H new ATOM 0 H4' DA B 3 3.619 -3.710 -4.444 1.00 0.41 H new ATOM 0 H3' DA B 3 5.533 -5.279 -4.543 1.00 0.44 H new ATOM 0 H2' DA B 3 4.790 -6.637 -2.404 1.00 0.40 H new ATOM 0 H2'' DA B 3 6.191 -5.729 -1.872 1.00 0.40 H new ATOM 0 H1' DA B 3 4.797 -3.828 -1.099 1.00 0.33 H new ATOM 0 H8 DA B 3 2.120 -6.555 -1.122 1.00 0.30 H new ATOM 0 H61 DA B 3 3.548 -7.185 4.867 1.00 0.39 H new ATOM 0 H62 DA B 3 2.436 -7.695 3.592 1.00 0.39 H new ATOM 0 H2 DA B 3 6.372 -4.316 3.053 1.00 0.37 H new ATOM 325 P DG B 4 6.931 -2.814 -4.195 1.00 0.64 P ATOM 326 OP1 DG B 4 7.854 -3.660 -4.989 1.00 0.86 O ATOM 327 OP2 DG B 4 7.464 -1.716 -3.356 1.00 1.01 O ATOM 328 O5' DG B 4 5.801 -2.200 -5.175 1.00 0.62 O ATOM 329 C5' DG B 4 5.538 -2.738 -6.486 1.00 0.42 C ATOM 330 C4' DG B 4 4.442 -1.986 -7.248 1.00 0.38 C ATOM 331 O4' DG B 4 3.212 -1.965 -6.489 1.00 0.42 O ATOM 332 C3' DG B 4 4.704 -0.542 -7.653 1.00 0.38 C ATOM 333 O3' DG B 4 4.002 -0.117 -8.847 1.00 0.51 O ATOM 334 C2' DG B 4 4.197 0.097 -6.363 1.00 0.38 C ATOM 335 C1' DG B 4 2.839 -0.607 -6.220 1.00 0.37 C ATOM 336 N9 DG B 4 2.226 -0.545 -4.855 1.00 0.34 N ATOM 337 C8 DG B 4 2.792 -0.832 -3.632 1.00 0.35 C ATOM 338 N7 DG B 4 1.995 -0.670 -2.610 1.00 0.35 N ATOM 339 C5 DG B 4 0.806 -0.243 -3.194 1.00 0.35 C ATOM 340 C6 DG B 4 -0.436 0.094 -2.586 1.00 0.37 C ATOM 341 O6 DG B 4 -0.755 0.088 -1.399 1.00 0.41 O ATOM 342 N1 DG B 4 -1.365 0.469 -3.525 1.00 0.40 N ATOM 343 C2 DG B 4 -1.155 0.521 -4.873 1.00 0.43 C ATOM 344 N2 DG B 4 -2.200 0.896 -5.590 1.00 0.55 N ATOM 345 N3 DG B 4 -0.007 0.211 -5.463 1.00 0.41 N ATOM 346 C4 DG B 4 0.936 -0.165 -4.562 1.00 0.36 C ATOM 0 H5' DG B 4 5.249 -3.785 -6.389 1.00 0.42 H new ATOM 0 H5'' DG B 4 6.458 -2.714 -7.071 1.00 0.42 H new ATOM 0 H4' DG B 4 4.397 -2.563 -8.172 1.00 0.38 H new ATOM 0 H3' DG B 4 5.724 -0.298 -7.949 1.00 0.38 H new ATOM 0 H2' DG B 4 4.856 -0.097 -5.517 1.00 0.38 H new ATOM 0 H2'' DG B 4 4.097 1.179 -6.447 1.00 0.38 H new ATOM 0 H1' DG B 4 2.088 -0.150 -6.864 1.00 0.37 H new ATOM 0 H8 DG B 4 3.814 -1.165 -3.527 1.00 0.35 H new ATOM 0 H1 DG B 4 -2.291 0.731 -3.187 1.00 0.40 H new ATOM 0 H21 DG B 4 -2.125 0.960 -6.605 1.00 0.55 H new ATOM 0 H22 DG B 4 -3.081 1.121 -5.128 1.00 0.55 H new ATOM 358 P DG B 5 4.578 1.062 -9.806 1.00 0.68 P ATOM 359 OP1 DG B 5 3.899 1.003 -11.124 1.00 0.97 O ATOM 360 OP2 DG B 5 6.057 1.019 -9.738 1.00 0.81 O ATOM 361 O5' DG B 5 4.071 2.348 -8.959 1.00 0.58 O ATOM 362 C5' DG B 5 2.673 2.640 -8.768 1.00 0.51 C ATOM 363 C4' DG B 5 2.361 3.589 -7.545 1.00 0.42 C ATOM 364 O4' DG B 5 2.600 2.979 -6.239 1.00 0.40 O ATOM 365 C3' DG B 5 3.011 4.994 -7.425 1.00 0.43 C ATOM 366 O3' DG B 5 2.202 6.080 -6.859 1.00 0.49 O ATOM 367 C2' DG B 5 4.070 4.713 -6.367 1.00 0.43 C ATOM 368 C1' DG B 5 3.245 3.922 -5.349 1.00 0.34 C ATOM 369 N9 DG B 5 4.051 3.287 -4.256 1.00 0.32 N ATOM 370 C8 DG B 5 5.394 2.968 -4.239 1.00 0.36 C ATOM 371 N7 DG B 5 5.802 2.415 -3.137 1.00 0.38 N ATOM 372 C5 DG B 5 4.665 2.359 -2.340 1.00 0.33 C ATOM 373 C6 DG B 5 4.505 1.855 -1.010 1.00 0.35 C ATOM 374 O6 DG B 5 5.333 1.365 -0.252 1.00 0.40 O ATOM 375 N1 DG B 5 3.207 1.991 -0.585 1.00 0.33 N ATOM 376 C2 DG B 5 2.207 2.535 -1.332 1.00 0.31 C ATOM 377 N2 DG B 5 1.042 2.619 -0.747 1.00 0.34 N ATOM 378 N3 DG B 5 2.315 3.012 -2.566 1.00 0.29 N ATOM 379 C4 DG B 5 3.586 2.890 -3.010 1.00 0.30 C ATOM 0 H5' DG B 5 2.135 1.702 -8.630 1.00 0.51 H new ATOM 0 H5'' DG B 5 2.284 3.100 -9.676 1.00 0.51 H new ATOM 0 H4' DG B 5 1.314 3.741 -7.809 1.00 0.42 H new ATOM 0 H3' DG B 5 3.284 5.341 -8.422 1.00 0.43 H new ATOM 0 H2' DG B 5 4.906 4.136 -6.761 1.00 0.43 H new ATOM 0 H2'' DG B 5 4.485 5.627 -5.943 1.00 0.43 H new ATOM 0 H1' DG B 5 2.561 4.526 -4.753 1.00 0.34 H new ATOM 0 H8 DG B 5 6.051 3.162 -5.074 1.00 0.36 H new ATOM 0 H1 DG B 5 2.976 1.663 0.353 1.00 0.33 H new ATOM 0 H21 DG B 5 0.247 3.016 -1.248 1.00 0.34 H new ATOM 0 H22 DG B 5 0.927 2.287 0.211 1.00 0.34 H new ATOM 391 P DA B 6 1.569 7.282 -7.755 1.00 0.43 P ATOM 392 OP1 DA B 6 2.656 7.762 -8.630 1.00 0.78 O ATOM 393 OP2 DA B 6 0.832 8.232 -6.890 1.00 0.63 O ATOM 394 O5' DA B 6 0.571 6.355 -8.615 1.00 0.70 O ATOM 395 C5' DA B 6 -0.740 6.564 -9.156 1.00 0.47 C ATOM 396 C4' DA B 6 -1.848 7.092 -8.177 1.00 0.46 C ATOM 397 O4' DA B 6 -1.832 6.447 -6.876 1.00 0.48 O ATOM 398 C3' DA B 6 -1.792 8.556 -7.776 1.00 0.42 C ATOM 399 O3' DA B 6 -2.026 9.515 -8.821 1.00 0.53 O ATOM 400 C2' DA B 6 -2.803 8.590 -6.620 1.00 0.48 C ATOM 401 C1' DA B 6 -2.403 7.318 -5.861 1.00 0.41 C ATOM 402 N9 DA B 6 -1.540 7.497 -4.655 1.00 0.35 N ATOM 403 C8 DA B 6 -0.227 7.171 -4.483 1.00 0.34 C ATOM 404 N7 DA B 6 0.257 7.458 -3.301 1.00 0.32 N ATOM 405 C5 DA B 6 -0.821 8.019 -2.630 1.00 0.31 C ATOM 406 C6 DA B 6 -0.976 8.537 -1.327 1.00 0.32 C ATOM 407 N6 DA B 6 -0.009 8.583 -0.413 1.00 0.35 N ATOM 408 N1 DA B 6 -2.181 9.006 -1.003 1.00 0.36 N ATOM 409 C2 DA B 6 -3.167 8.973 -1.889 1.00 0.40 C ATOM 410 N3 DA B 6 -3.145 8.520 -3.136 1.00 0.39 N ATOM 411 C4 DA B 6 -1.920 8.048 -3.446 1.00 0.34 C ATOM 0 H5' DA B 6 -1.085 5.620 -9.578 1.00 0.47 H new ATOM 0 H5'' DA B 6 -0.655 7.270 -9.982 1.00 0.47 H new ATOM 0 H4' DA B 6 -2.719 6.880 -8.797 1.00 0.46 H new ATOM 0 H3' DA B 6 -0.788 8.877 -7.497 1.00 0.42 H new ATOM 0 H2' DA B 6 -2.703 9.487 -6.008 1.00 0.48 H new ATOM 0 H2'' DA B 6 -3.835 8.557 -6.970 1.00 0.48 H new ATOM 0 H1' DA B 6 -3.282 6.885 -5.384 1.00 0.41 H new ATOM 0 H8 DA B 6 0.366 6.712 -5.260 1.00 0.34 H new ATOM 0 H61 DA B 6 -0.198 8.973 0.510 1.00 0.35 H new ATOM 0 H62 DA B 6 0.921 8.228 -0.636 1.00 0.35 H new ATOM 0 H2 DA B 6 -4.114 9.367 -1.551 1.00 0.40 H new ATOM 423 P DT B 7 -3.457 10.127 -9.257 1.00 0.67 P ATOM 424 OP1 DT B 7 -4.506 9.095 -9.071 1.00 0.81 O ATOM 425 OP2 DT B 7 -3.305 10.811 -10.560 1.00 0.82 O ATOM 426 O5' DT B 7 -3.594 11.251 -8.099 1.00 0.70 O ATOM 427 C5' DT B 7 -4.795 11.520 -7.364 1.00 0.79 C ATOM 428 C4' DT B 7 -4.539 12.183 -5.997 1.00 0.83 C ATOM 429 O4' DT B 7 -3.699 11.416 -5.108 1.00 0.76 O ATOM 430 C3' DT B 7 -3.915 13.539 -5.990 1.00 0.88 C ATOM 431 O3' DT B 7 -4.844 14.538 -6.375 1.00 0.97 O ATOM 432 C2' DT B 7 -3.335 13.714 -4.567 1.00 0.89 C ATOM 433 C1' DT B 7 -3.143 12.263 -4.063 1.00 0.83 C ATOM 434 N1 DT B 7 -1.717 11.888 -3.888 1.00 0.78 N ATOM 435 C2 DT B 7 -1.180 11.775 -2.617 1.00 0.91 C ATOM 436 O2 DT B 7 -1.821 11.965 -1.589 1.00 1.05 O ATOM 437 N3 DT B 7 0.154 11.428 -2.564 1.00 0.94 N ATOM 438 C4 DT B 7 0.987 11.186 -3.651 1.00 0.83 C ATOM 439 O4 DT B 7 2.164 10.895 -3.449 1.00 0.94 O ATOM 440 C5 DT B 7 0.335 11.326 -4.950 1.00 0.66 C ATOM 441 C7 DT B 7 1.066 11.084 -6.278 1.00 0.59 C ATOM 442 C6 DT B 7 -0.962 11.666 -5.002 1.00 0.65 C ATOM 0 H5' DT B 7 -5.336 10.586 -7.211 1.00 0.79 H new ATOM 0 H5'' DT B 7 -5.439 12.168 -7.959 1.00 0.79 H new ATOM 0 H4' DT B 7 -5.575 12.249 -5.665 1.00 0.83 H new ATOM 0 H3' DT B 7 -3.117 13.642 -6.725 1.00 0.88 H new ATOM 0 H2' DT B 7 -2.391 14.259 -4.584 1.00 0.89 H new ATOM 0 H2'' DT B 7 -4.015 14.274 -3.924 1.00 0.89 H new ATOM 0 HO3' DT B 7 -4.407 15.415 -6.359 1.00 0.97 H new ATOM 0 H1' DT B 7 -3.621 12.155 -3.089 1.00 0.83 H new ATOM 0 H3 DT B 7 0.570 11.340 -1.637 1.00 0.94 H new ATOM 0 H71 DT B 7 0.357 10.724 -7.023 1.00 0.59 H new ATOM 0 H72 DT B 7 1.512 12.017 -6.623 1.00 0.59 H new ATOM 0 H73 DT B 7 1.849 10.340 -6.132 1.00 0.59 H new ATOM 0 H6 DT B 7 -1.429 11.769 -5.970 1.00 0.65 H new TER 456 DT B 7