USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 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 180:sc= 0.785 USER MOD Set 1.2: B 1 DG O5' : rot -96:sc= 0.908 USER MOD Single : A 7 DT C7 :methyl -30:sc= -2.18! (180deg=-4.71!) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl -30:sc= -2.06! (180deg=-4.5!) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.619 0.021 1.408 1.00 0.68 O ATOM 2 C5' DG A 1 -8.198 1.330 1.793 1.00 0.66 C ATOM 3 C4' DG A 1 -6.682 1.289 2.203 1.00 0.49 C ATOM 4 O4' DG A 1 -5.836 0.795 1.142 1.00 0.41 O ATOM 5 C3' DG A 1 -5.846 2.429 2.824 1.00 0.49 C ATOM 6 O3' DG A 1 -4.938 1.905 3.814 1.00 0.50 O ATOM 7 C2' DG A 1 -5.025 2.932 1.627 1.00 0.42 C ATOM 8 C1' DG A 1 -4.647 1.603 0.971 1.00 0.33 C ATOM 9 N9 DG A 1 -4.421 1.621 -0.503 1.00 0.31 N ATOM 10 C8 DG A 1 -3.429 1.028 -1.253 1.00 0.28 C ATOM 11 N7 DG A 1 -3.544 1.219 -2.536 1.00 0.37 N ATOM 12 C5 DG A 1 -4.689 1.988 -2.659 1.00 0.44 C ATOM 13 C6 DG A 1 -5.313 2.504 -3.819 1.00 0.57 C ATOM 14 O6 DG A 1 -4.957 2.376 -4.987 1.00 0.64 O ATOM 15 N1 DG A 1 -6.446 3.227 -3.509 1.00 0.66 N ATOM 16 C2 DG A 1 -6.920 3.429 -2.239 1.00 0.64 C ATOM 17 N2 DG A 1 -8.020 4.142 -2.107 1.00 0.77 N ATOM 18 N3 DG A 1 -6.336 2.948 -1.149 1.00 0.54 N ATOM 19 C4 DG A 1 -5.227 2.237 -1.429 1.00 0.42 C ATOM 0 H5' DG A 1 -8.802 1.688 2.626 1.00 0.66 H new ATOM 0 H5'' DG A 1 -8.345 2.029 0.969 1.00 0.66 H new ATOM 0 H4' DG A 1 -6.919 0.672 3.070 1.00 0.49 H new ATOM 0 H3' DG A 1 -6.458 3.189 3.310 1.00 0.49 H new ATOM 0 H2' DG A 1 -5.608 3.571 0.964 1.00 0.42 H new ATOM 0 H2'' DG A 1 -4.151 3.506 1.935 1.00 0.42 H new ATOM 0 HO5' DG A 1 -9.565 0.043 1.153 1.00 0.68 H new ATOM 0 H1' DG A 1 -3.711 1.273 1.422 1.00 0.33 H new ATOM 0 H8 DG A 1 -2.626 0.454 -0.815 1.00 0.28 H new ATOM 0 H1 DG A 1 -6.969 3.641 -4.281 1.00 0.66 H new ATOM 0 H21 DG A 1 -8.407 4.316 -1.179 1.00 0.77 H new ATOM 0 H22 DG A 1 -8.485 4.520 -2.933 1.00 0.77 H new ATOM 32 P DG A 2 -4.541 2.702 5.156 1.00 0.56 P ATOM 33 OP1 DG A 2 -4.029 1.709 6.131 1.00 0.71 O ATOM 34 OP2 DG A 2 -5.687 3.565 5.536 1.00 0.80 O ATOM 35 O5' DG A 2 -3.310 3.642 4.663 1.00 0.47 O ATOM 36 C5' DG A 2 -1.970 3.122 4.481 1.00 0.40 C ATOM 37 C4' DG A 2 -1.118 3.839 3.330 1.00 0.35 C ATOM 38 O4' DG A 2 -1.729 3.734 2.010 1.00 0.34 O ATOM 39 C3' DG A 2 -0.833 5.374 3.470 1.00 0.33 C ATOM 40 O3' DG A 2 0.338 6.053 2.954 1.00 0.34 O ATOM 41 C2' DG A 2 -1.889 5.923 2.536 1.00 0.35 C ATOM 42 C1' DG A 2 -1.578 5.005 1.345 1.00 0.36 C ATOM 43 N9 DG A 2 -2.524 5.207 0.216 1.00 0.34 N ATOM 44 C8 DG A 2 -3.807 5.712 0.260 1.00 0.38 C ATOM 45 N7 DG A 2 -4.400 5.754 -0.883 1.00 0.38 N ATOM 46 C5 DG A 2 -3.464 5.252 -1.769 1.00 0.34 C ATOM 47 C6 DG A 2 -3.577 5.071 -3.166 1.00 0.39 C ATOM 48 O6 DG A 2 -4.523 5.326 -3.909 1.00 0.45 O ATOM 49 N1 DG A 2 -2.425 4.547 -3.684 1.00 0.38 N ATOM 50 C2 DG A 2 -1.302 4.233 -2.975 1.00 0.33 C ATOM 51 N2 DG A 2 -0.307 3.781 -3.714 1.00 0.35 N ATOM 52 N3 DG A 2 -1.163 4.388 -1.660 1.00 0.29 N ATOM 53 C4 DG A 2 -2.301 4.910 -1.118 1.00 0.31 C ATOM 0 H5' DG A 2 -2.037 2.058 4.254 1.00 0.40 H new ATOM 0 H5'' DG A 2 -1.430 3.213 5.423 1.00 0.40 H new ATOM 0 H4' DG A 2 -0.188 3.283 3.447 1.00 0.35 H new ATOM 0 H3' DG A 2 -0.761 5.524 4.547 1.00 0.33 H new ATOM 0 H2' DG A 2 -2.903 5.804 2.917 1.00 0.35 H new ATOM 0 H2'' DG A 2 -1.755 6.981 2.310 1.00 0.35 H new ATOM 0 H1' DG A 2 -0.615 5.156 0.858 1.00 0.36 H new ATOM 0 H8 DG A 2 -4.275 6.044 1.175 1.00 0.38 H new ATOM 0 H1 DG A 2 -2.403 4.376 -4.689 1.00 0.38 H new ATOM 0 H21 DG A 2 0.576 3.519 -3.275 1.00 0.35 H new ATOM 0 H22 DG A 2 -0.421 3.694 -4.724 1.00 0.35 H new ATOM 65 P DA A 3 0.720 7.560 3.459 1.00 0.34 P ATOM 66 OP1 DA A 3 -0.128 7.904 4.624 1.00 0.43 O ATOM 67 OP2 DA A 3 0.767 8.444 2.269 1.00 0.49 O ATOM 68 O5' DA A 3 2.221 7.236 3.959 1.00 0.37 O ATOM 69 C5' DA A 3 2.456 6.048 4.744 1.00 0.38 C ATOM 70 C4' DA A 3 3.553 5.112 4.095 1.00 0.35 C ATOM 71 O4' DA A 3 3.145 4.784 2.745 1.00 0.38 O ATOM 72 C3' DA A 3 5.037 5.556 3.930 1.00 0.40 C ATOM 73 O3' DA A 3 6.047 4.530 3.765 1.00 0.43 O ATOM 74 C2' DA A 3 4.966 6.225 2.570 1.00 0.43 C ATOM 75 C1' DA A 3 4.162 5.176 1.808 1.00 0.37 C ATOM 76 N9 DA A 3 3.546 5.795 0.622 1.00 0.35 N ATOM 77 C8 DA A 3 2.424 6.561 0.533 1.00 0.35 C ATOM 78 N7 DA A 3 2.165 7.008 -0.663 1.00 0.32 N ATOM 79 C5 DA A 3 3.200 6.487 -1.423 1.00 0.31 C ATOM 80 C6 DA A 3 3.523 6.580 -2.775 1.00 0.33 C ATOM 81 N6 DA A 3 2.810 7.247 -3.659 1.00 0.33 N ATOM 82 N1 DA A 3 4.612 5.943 -3.194 1.00 0.36 N ATOM 83 C2 DA A 3 5.336 5.257 -2.326 1.00 0.37 C ATOM 84 N3 DA A 3 5.145 5.091 -1.029 1.00 0.37 N ATOM 85 C4 DA A 3 4.041 5.747 -0.643 1.00 0.33 C ATOM 0 H5' DA A 3 1.524 5.493 4.849 1.00 0.38 H new ATOM 0 H5'' DA A 3 2.772 6.334 5.747 1.00 0.38 H new ATOM 0 H4' DA A 3 3.581 4.328 4.852 1.00 0.35 H new ATOM 0 H3' DA A 3 5.336 6.102 4.825 1.00 0.40 H new ATOM 0 H2' DA A 3 4.464 7.192 2.606 1.00 0.43 H new ATOM 0 H2'' DA A 3 5.951 6.393 2.135 1.00 0.43 H new ATOM 0 H1' DA A 3 4.764 4.337 1.460 1.00 0.37 H new ATOM 0 H8 DA A 3 1.799 6.781 1.386 1.00 0.35 H new ATOM 0 H61 DA A 3 3.104 7.274 -4.635 1.00 0.33 H new ATOM 0 H62 DA A 3 1.964 7.736 -3.367 1.00 0.33 H new ATOM 0 H2 DA A 3 6.205 4.763 -2.734 1.00 0.37 H new ATOM 97 P DG A 4 7.055 4.000 4.922 1.00 0.41 P ATOM 98 OP1 DG A 4 7.454 5.162 5.752 1.00 0.48 O ATOM 99 OP2 DG A 4 8.104 3.178 4.272 1.00 0.56 O ATOM 100 O5' DG A 4 6.095 3.017 5.802 1.00 0.42 O ATOM 101 C5' DG A 4 5.451 3.431 7.027 1.00 0.32 C ATOM 102 C4' DG A 4 4.314 2.531 7.566 1.00 0.30 C ATOM 103 O4' DG A 4 3.155 2.456 6.701 1.00 0.33 O ATOM 104 C3' DG A 4 4.596 1.096 7.987 1.00 0.35 C ATOM 105 O3' DG A 4 3.858 0.673 9.157 1.00 0.44 O ATOM 106 C2' DG A 4 4.120 0.416 6.709 1.00 0.33 C ATOM 107 C1' DG A 4 2.749 1.084 6.543 1.00 0.32 C ATOM 108 N9 DG A 4 2.149 0.913 5.193 1.00 0.31 N ATOM 109 C8 DG A 4 2.688 1.283 3.987 1.00 0.32 C ATOM 110 N7 DG A 4 1.949 1.004 2.952 1.00 0.35 N ATOM 111 C5 DG A 4 0.826 0.400 3.513 1.00 0.32 C ATOM 112 C6 DG A 4 -0.327 -0.118 2.876 1.00 0.35 C ATOM 113 O6 DG A 4 -0.593 -0.148 1.681 1.00 0.42 O ATOM 114 N1 DG A 4 -1.221 -0.636 3.781 1.00 0.35 N ATOM 115 C2 DG A 4 -1.047 -0.660 5.133 1.00 0.35 C ATOM 116 N2 DG A 4 -2.042 -1.184 5.823 1.00 0.45 N ATOM 117 N3 DG A 4 0.027 -0.183 5.759 1.00 0.34 N ATOM 118 C4 DG A 4 0.931 0.337 4.884 1.00 0.31 C ATOM 0 H5' DG A 4 5.047 4.432 6.875 1.00 0.32 H new ATOM 0 H5'' DG A 4 6.215 3.510 7.800 1.00 0.32 H new ATOM 0 H4' DG A 4 4.150 3.097 8.483 1.00 0.30 H new ATOM 0 H3' DG A 4 5.620 0.888 8.298 1.00 0.35 H new ATOM 0 H2' DG A 4 4.782 0.608 5.864 1.00 0.33 H new ATOM 0 H2'' DG A 4 4.046 -0.666 6.816 1.00 0.33 H new ATOM 0 H1' DG A 4 1.991 0.689 7.220 1.00 0.32 H new ATOM 0 H8 DG A 4 3.650 1.768 3.903 1.00 0.32 H new ATOM 0 H1 DG A 4 -2.084 -1.035 3.412 1.00 0.35 H new ATOM 0 H21 DG A 4 -1.985 -1.237 6.840 1.00 0.45 H new ATOM 0 H22 DG A 4 -2.868 -1.536 5.339 1.00 0.45 H new ATOM 130 P DG A 5 4.408 -0.508 10.113 1.00 0.54 P ATOM 131 OP1 DG A 5 3.651 -0.494 11.388 1.00 0.72 O ATOM 132 OP2 DG A 5 5.889 -0.432 10.125 1.00 0.68 O ATOM 133 O5' DG A 5 3.937 -1.794 9.233 1.00 0.55 O ATOM 134 C5' DG A 5 2.535 -2.135 9.070 1.00 0.53 C ATOM 135 C4' DG A 5 2.222 -3.165 7.913 1.00 0.52 C ATOM 136 O4' DG A 5 2.509 -2.654 6.577 1.00 0.48 O ATOM 137 C3' DG A 5 2.876 -4.566 7.930 1.00 0.55 C ATOM 138 O3' DG A 5 2.008 -5.675 7.532 1.00 0.69 O ATOM 139 C2' DG A 5 3.971 -4.366 6.878 1.00 0.50 C ATOM 140 C1' DG A 5 3.188 -3.650 5.775 1.00 0.42 C ATOM 141 N9 DG A 5 4.044 -3.032 4.706 1.00 0.36 N ATOM 142 C8 DG A 5 5.370 -2.662 4.767 1.00 0.40 C ATOM 143 N7 DG A 5 5.835 -2.128 3.680 1.00 0.41 N ATOM 144 C5 DG A 5 4.757 -2.137 2.807 1.00 0.34 C ATOM 145 C6 DG A 5 4.680 -1.677 1.457 1.00 0.36 C ATOM 146 O6 DG A 5 5.542 -1.159 0.753 1.00 0.47 O ATOM 147 N1 DG A 5 3.419 -1.879 0.948 1.00 0.31 N ATOM 148 C2 DG A 5 2.386 -2.439 1.641 1.00 0.26 C ATOM 149 N2 DG A 5 1.278 -2.567 0.962 1.00 0.28 N ATOM 150 N3 DG A 5 2.424 -2.874 2.894 1.00 0.29 N ATOM 151 C4 DG A 5 3.653 -2.689 3.421 1.00 0.31 C ATOM 0 H5' DG A 5 1.975 -1.219 8.881 1.00 0.53 H new ATOM 0 H5'' DG A 5 2.166 -2.546 10.010 1.00 0.53 H new ATOM 0 H4' DG A 5 1.162 -3.289 8.137 1.00 0.52 H new ATOM 0 H3' DG A 5 3.188 -4.855 8.934 1.00 0.55 H new ATOM 0 H2' DG A 5 4.799 -3.764 7.253 1.00 0.50 H new ATOM 0 H2'' DG A 5 4.393 -5.311 6.537 1.00 0.50 H new ATOM 0 H1' DG A 5 2.549 -4.309 5.187 1.00 0.42 H new ATOM 0 H8 DG A 5 5.975 -2.805 5.650 1.00 0.40 H new ATOM 0 H1 DG A 5 3.244 -1.590 -0.014 1.00 0.31 H new ATOM 0 H21 DG A 5 0.454 -2.976 1.403 1.00 0.28 H new ATOM 0 H22 DG A 5 1.236 -2.258 -0.009 1.00 0.28 H new ATOM 163 P DA A 6 1.931 -7.090 8.333 1.00 0.82 P ATOM 164 OP1 DA A 6 2.305 -6.809 9.740 1.00 1.03 O ATOM 165 OP2 DA A 6 2.699 -8.084 7.547 1.00 1.07 O ATOM 166 O5' DA A 6 0.376 -7.483 8.286 1.00 0.71 O ATOM 167 C5' DA A 6 -0.682 -6.859 9.051 1.00 0.72 C ATOM 168 C4' DA A 6 -1.990 -7.061 8.256 1.00 0.63 C ATOM 169 O4' DA A 6 -1.934 -6.360 7.001 1.00 0.56 O ATOM 170 C3' DA A 6 -2.156 -8.509 7.840 1.00 0.51 C ATOM 171 O3' DA A 6 -2.677 -9.388 8.837 1.00 0.69 O ATOM 172 C2' DA A 6 -3.086 -8.409 6.657 1.00 0.48 C ATOM 173 C1' DA A 6 -2.515 -7.162 5.956 1.00 0.48 C ATOM 174 N9 DA A 6 -1.548 -7.355 4.844 1.00 0.41 N ATOM 175 C8 DA A 6 -0.198 -7.096 4.810 1.00 0.38 C ATOM 176 N7 DA A 6 0.367 -7.392 3.672 1.00 0.32 N ATOM 177 C5 DA A 6 -0.672 -7.876 2.890 1.00 0.31 C ATOM 178 C6 DA A 6 -0.732 -8.358 1.570 1.00 0.32 C ATOM 179 N6 DA A 6 0.309 -8.436 0.749 1.00 0.33 N ATOM 180 N1 DA A 6 -1.925 -8.751 1.119 1.00 0.38 N ATOM 181 C2 DA A 6 -2.989 -8.678 1.907 1.00 0.42 C ATOM 182 N3 DA A 6 -3.058 -8.251 3.162 1.00 0.42 N ATOM 183 C4 DA A 6 -1.843 -7.858 3.595 1.00 0.37 C ATOM 0 H5' DA A 6 -0.479 -5.798 9.197 1.00 0.72 H new ATOM 0 H5'' DA A 6 -0.759 -7.308 10.041 1.00 0.72 H new ATOM 0 H4' DA A 6 -2.791 -6.713 8.908 1.00 0.63 H new ATOM 0 H3' DA A 6 -1.186 -8.960 7.630 1.00 0.51 H new ATOM 0 H2' DA A 6 -3.047 -9.295 6.023 1.00 0.48 H new ATOM 0 H2'' DA A 6 -4.126 -8.277 6.957 1.00 0.48 H new ATOM 0 H1' DA A 6 -3.348 -6.696 5.429 1.00 0.48 H new ATOM 0 H8 DA A 6 0.345 -6.685 5.648 1.00 0.38 H new ATOM 0 H61 DA A 6 0.187 -8.798 -0.197 1.00 0.33 H new ATOM 0 H62 DA A 6 1.231 -8.134 1.064 1.00 0.33 H new ATOM 0 H2 DA A 6 -3.920 -9.009 1.471 1.00 0.42 H new ATOM 195 P DT A 7 -2.185 -10.907 8.991 1.00 0.64 P ATOM 196 OP1 DT A 7 -2.838 -11.484 10.189 1.00 1.02 O ATOM 197 OP2 DT A 7 -0.710 -10.960 8.859 1.00 0.80 O ATOM 198 O5' DT A 7 -2.833 -11.603 7.705 1.00 0.56 O ATOM 199 C5' DT A 7 -4.248 -11.752 7.470 1.00 0.85 C ATOM 200 C4' DT A 7 -4.404 -12.212 6.019 1.00 1.05 C ATOM 201 O4' DT A 7 -3.782 -11.286 5.119 1.00 0.95 O ATOM 202 C3' DT A 7 -3.790 -13.553 5.724 1.00 1.17 C ATOM 203 O3' DT A 7 -4.715 -14.604 5.934 1.00 1.40 O ATOM 204 C2' DT A 7 -3.300 -13.479 4.282 1.00 1.32 C ATOM 205 C1' DT A 7 -3.142 -11.974 4.034 1.00 1.21 C ATOM 206 N1 DT A 7 -1.720 -11.577 3.991 1.00 1.14 N ATOM 207 C2 DT A 7 -1.119 -11.366 2.772 1.00 1.50 C ATOM 208 O2 DT A 7 -1.690 -11.516 1.693 1.00 1.77 O ATOM 209 N3 DT A 7 0.204 -11.006 2.824 1.00 1.61 N ATOM 210 C4 DT A 7 0.969 -10.835 3.957 1.00 1.45 C ATOM 211 O4 DT A 7 2.146 -10.498 3.854 1.00 1.72 O ATOM 212 C5 DT A 7 0.260 -11.074 5.195 1.00 1.05 C ATOM 213 C7 DT A 7 0.951 -10.901 6.561 1.00 1.02 C ATOM 214 C6 DT A 7 -1.034 -11.426 5.154 1.00 0.88 C ATOM 0 H5' DT A 7 -4.770 -10.809 7.636 1.00 0.85 H new ATOM 0 H5'' DT A 7 -4.680 -12.481 8.156 1.00 0.85 H new ATOM 0 H4' DT A 7 -5.483 -12.275 5.877 1.00 1.05 H new ATOM 0 H3' DT A 7 -2.962 -13.774 6.397 1.00 1.17 H new ATOM 0 H2' DT A 7 -2.356 -14.009 4.151 1.00 1.32 H new ATOM 0 H2'' DT A 7 -4.015 -13.927 3.592 1.00 1.32 H new ATOM 0 HO3' DT A 7 -4.287 -15.462 5.732 1.00 1.40 H new ATOM 0 H1' DT A 7 -3.590 -11.722 3.073 1.00 1.21 H new ATOM 0 H3 DT A 7 0.670 -10.849 1.930 1.00 1.61 H new ATOM 0 H71 DT A 7 2.014 -11.119 6.461 1.00 1.02 H new ATOM 0 H72 DT A 7 0.822 -9.875 6.907 1.00 1.02 H new ATOM 0 H73 DT A 7 0.506 -11.586 7.283 1.00 1.02 H new ATOM 0 H6 DT A 7 -1.553 -11.597 6.086 1.00 0.88 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.617 -0.406 -1.414 1.00 0.60 O ATOM 230 C5' DG B 1 -8.084 -1.697 -1.721 1.00 0.59 C ATOM 231 C4' DG B 1 -6.558 -1.578 -2.083 1.00 0.47 C ATOM 232 O4' DG B 1 -5.773 -1.061 -0.987 1.00 0.41 O ATOM 233 C3' DG B 1 -5.651 -2.678 -2.682 1.00 0.49 C ATOM 234 O3' DG B 1 -4.744 -2.112 -3.651 1.00 0.52 O ATOM 235 C2' DG B 1 -4.834 -3.145 -1.471 1.00 0.42 C ATOM 236 C1' DG B 1 -4.546 -1.798 -0.800 1.00 0.34 C ATOM 237 N9 DG B 1 -4.361 -1.804 0.678 1.00 0.32 N ATOM 238 C8 DG B 1 -3.419 -1.166 1.455 1.00 0.29 C ATOM 239 N7 DG B 1 -3.562 -1.363 2.735 1.00 0.34 N ATOM 240 C5 DG B 1 -4.671 -2.185 2.825 1.00 0.41 C ATOM 241 C6 DG B 1 -5.303 -2.733 3.967 1.00 0.54 C ATOM 242 O6 DG B 1 -4.988 -2.588 5.144 1.00 0.61 O ATOM 243 N1 DG B 1 -6.390 -3.511 3.626 1.00 0.63 N ATOM 244 C2 DG B 1 -6.816 -3.735 2.343 1.00 0.63 C ATOM 245 N2 DG B 1 -7.877 -4.499 2.180 1.00 0.78 N ATOM 246 N3 DG B 1 -6.227 -3.222 1.270 1.00 0.52 N ATOM 247 C4 DG B 1 -5.163 -2.460 1.580 1.00 0.41 C ATOM 0 H5' DG B 1 -8.631 -2.136 -2.556 1.00 0.59 H new ATOM 0 H5'' DG B 1 -8.213 -2.365 -0.869 1.00 0.59 H new ATOM 0 H4' DG B 1 -6.789 -0.960 -2.951 1.00 0.47 H new ATOM 0 H3' DG B 1 -6.217 -3.465 -3.180 1.00 0.49 H new ATOM 0 H2' DG B 1 -5.397 -3.819 -0.825 1.00 0.42 H new ATOM 0 H2'' DG B 1 -3.923 -3.668 -1.761 1.00 0.42 H new ATOM 0 HO5' DG B 1 -8.613 -0.273 -0.443 1.00 0.60 H new ATOM 0 H1' DG B 1 -3.619 -1.420 -1.231 1.00 0.34 H new ATOM 0 H8 DG B 1 -2.631 -0.556 1.039 1.00 0.29 H new ATOM 0 H1 DG B 1 -6.914 -3.951 4.383 1.00 0.63 H new ATOM 0 H21 DG B 1 -8.228 -4.691 1.242 1.00 0.78 H new ATOM 0 H22 DG B 1 -8.348 -4.898 2.992 1.00 0.78 H new ATOM 260 P DG B 2 -4.269 -2.889 -4.983 1.00 0.57 P ATOM 261 OP1 DG B 2 -3.782 -1.871 -5.945 1.00 0.73 O ATOM 262 OP2 DG B 2 -5.362 -3.806 -5.389 1.00 0.79 O ATOM 263 O5' DG B 2 -3.006 -3.766 -4.457 1.00 0.47 O ATOM 264 C5' DG B 2 -1.706 -3.170 -4.228 1.00 0.39 C ATOM 265 C4' DG B 2 -0.849 -3.850 -3.058 1.00 0.35 C ATOM 266 O4' DG B 2 -1.499 -3.779 -1.756 1.00 0.36 O ATOM 267 C3' DG B 2 -0.484 -5.371 -3.189 1.00 0.35 C ATOM 268 O3' DG B 2 0.708 -5.988 -2.646 1.00 0.35 O ATOM 269 C2' DG B 2 -1.532 -5.972 -2.283 1.00 0.38 C ATOM 270 C1' DG B 2 -1.300 -5.041 -1.087 1.00 0.37 C ATOM 271 N9 DG B 2 -2.263 -5.292 0.015 1.00 0.35 N ATOM 272 C8 DG B 2 -3.516 -5.862 -0.066 1.00 0.39 C ATOM 273 N7 DG B 2 -4.141 -5.937 1.059 1.00 0.40 N ATOM 274 C5 DG B 2 -3.257 -5.386 1.973 1.00 0.35 C ATOM 275 C6 DG B 2 -3.419 -5.210 3.365 1.00 0.38 C ATOM 276 O6 DG B 2 -4.373 -5.512 4.082 1.00 0.44 O ATOM 277 N1 DG B 2 -2.311 -4.626 3.914 1.00 0.38 N ATOM 278 C2 DG B 2 -1.187 -4.256 3.237 1.00 0.33 C ATOM 279 N2 DG B 2 -0.238 -3.752 4.003 1.00 0.38 N ATOM 280 N3 DG B 2 -1.003 -4.404 1.927 1.00 0.29 N ATOM 281 C4 DG B 2 -2.095 -4.983 1.354 1.00 0.31 C ATOM 0 H5' DG B 2 -1.843 -2.115 -3.992 1.00 0.39 H new ATOM 0 H5'' DG B 2 -1.132 -3.218 -5.154 1.00 0.39 H new ATOM 0 H4' DG B 2 0.056 -3.251 -3.154 1.00 0.35 H new ATOM 0 H3' DG B 2 -0.379 -5.518 -4.264 1.00 0.35 H new ATOM 0 H2' DG B 2 -2.541 -5.906 -2.690 1.00 0.38 H new ATOM 0 H2'' DG B 2 -1.350 -7.022 -2.052 1.00 0.38 H new ATOM 0 H1' DG B 2 -0.343 -5.142 -0.575 1.00 0.37 H new ATOM 0 H8 DG B 2 -3.939 -6.216 -0.995 1.00 0.39 H new ATOM 0 H1 DG B 2 -2.327 -4.452 4.919 1.00 0.38 H new ATOM 0 H21 DG B 2 0.642 -3.446 3.589 1.00 0.38 H new ATOM 0 H22 DG B 2 -0.385 -3.669 5.009 1.00 0.38 H new ATOM 293 P DA B 3 1.182 -7.473 -3.134 1.00 0.35 P ATOM 294 OP1 DA B 3 0.386 -7.861 -4.322 1.00 0.48 O ATOM 295 OP2 DA B 3 1.240 -8.352 -1.942 1.00 0.51 O ATOM 296 O5' DA B 3 2.680 -7.072 -3.590 1.00 0.39 O ATOM 297 C5' DA B 3 2.876 -5.875 -4.371 1.00 0.41 C ATOM 298 C4' DA B 3 3.900 -4.881 -3.690 1.00 0.36 C ATOM 299 O4' DA B 3 3.438 -4.576 -2.353 1.00 0.39 O ATOM 300 C3' DA B 3 5.401 -5.250 -3.482 1.00 0.39 C ATOM 301 O3' DA B 3 6.354 -4.175 -3.291 1.00 0.43 O ATOM 302 C2' DA B 3 5.326 -5.923 -2.127 1.00 0.42 C ATOM 303 C1' DA B 3 4.450 -4.913 -1.388 1.00 0.36 C ATOM 304 N9 DA B 3 3.835 -5.564 -0.220 1.00 0.35 N ATOM 305 C8 DA B 3 2.751 -6.385 -0.163 1.00 0.35 C ATOM 306 N7 DA B 3 2.482 -6.845 1.027 1.00 0.34 N ATOM 307 C5 DA B 3 3.470 -6.273 1.813 1.00 0.32 C ATOM 308 C6 DA B 3 3.762 -6.348 3.173 1.00 0.32 C ATOM 309 N6 DA B 3 3.062 -7.049 4.034 1.00 0.35 N ATOM 310 N1 DA B 3 4.806 -5.662 3.622 1.00 0.35 N ATOM 311 C2 DA B 3 5.515 -4.940 2.775 1.00 0.37 C ATOM 312 N3 DA B 3 5.352 -4.785 1.473 1.00 0.38 N ATOM 313 C4 DA B 3 4.291 -5.491 1.057 1.00 0.35 C ATOM 0 H5' DA B 3 1.919 -5.371 -4.508 1.00 0.41 H new ATOM 0 H5'' DA B 3 3.239 -6.145 -5.363 1.00 0.41 H new ATOM 0 H4' DA B 3 3.905 -4.094 -4.444 1.00 0.36 H new ATOM 0 H3' DA B 3 5.752 -5.780 -4.368 1.00 0.39 H new ATOM 0 H2' DA B 3 4.873 -6.913 -2.176 1.00 0.42 H new ATOM 0 H2'' DA B 3 6.306 -6.044 -1.665 1.00 0.42 H new ATOM 0 H1' DA B 3 4.998 -4.043 -1.027 1.00 0.36 H new ATOM 0 H8 DA B 3 2.162 -6.635 -1.033 1.00 0.35 H new ATOM 0 H61 DA B 3 3.329 -7.062 5.018 1.00 0.35 H new ATOM 0 H62 DA B 3 2.251 -7.581 3.719 1.00 0.35 H new ATOM 0 H2 DA B 3 6.345 -4.400 3.207 1.00 0.37 H new ATOM 325 P DG B 4 7.366 -3.594 -4.421 1.00 0.39 P ATOM 326 OP1 DG B 4 7.848 -4.733 -5.237 1.00 0.45 O ATOM 327 OP2 DG B 4 8.354 -2.719 -3.741 1.00 0.56 O ATOM 328 O5' DG B 4 6.384 -2.658 -5.328 1.00 0.41 O ATOM 329 C5' DG B 4 5.793 -3.106 -6.566 1.00 0.34 C ATOM 330 C4' DG B 4 4.628 -2.263 -7.138 1.00 0.31 C ATOM 331 O4' DG B 4 3.448 -2.247 -6.303 1.00 0.34 O ATOM 332 C3' DG B 4 4.848 -0.815 -7.555 1.00 0.33 C ATOM 333 O3' DG B 4 4.125 -0.432 -8.747 1.00 0.42 O ATOM 334 C2' DG B 4 4.298 -0.157 -6.295 1.00 0.33 C ATOM 335 C1' DG B 4 2.964 -0.901 -6.166 1.00 0.31 C ATOM 336 N9 DG B 4 2.320 -0.760 -4.833 1.00 0.29 N ATOM 337 C8 DG B 4 2.845 -1.100 -3.612 1.00 0.32 C ATOM 338 N7 DG B 4 2.064 -0.860 -2.598 1.00 0.35 N ATOM 339 C5 DG B 4 0.928 -0.315 -3.191 1.00 0.33 C ATOM 340 C6 DG B 4 -0.267 0.144 -2.588 1.00 0.37 C ATOM 341 O6 DG B 4 -0.567 0.159 -1.400 1.00 0.44 O ATOM 342 N1 DG B 4 -1.158 0.613 -3.517 1.00 0.36 N ATOM 343 C2 DG B 4 -0.952 0.647 -4.864 1.00 0.36 C ATOM 344 N2 DG B 4 -1.955 1.118 -5.580 1.00 0.47 N ATOM 345 N3 DG B 4 0.163 0.225 -5.459 1.00 0.34 N ATOM 346 C4 DG B 4 1.067 -0.248 -4.558 1.00 0.31 C ATOM 0 H5' DG B 4 5.433 -4.124 -6.420 1.00 0.34 H new ATOM 0 H5'' DG B 4 6.580 -3.151 -7.319 1.00 0.34 H new ATOM 0 H4' DG B 4 4.517 -2.834 -8.060 1.00 0.31 H new ATOM 0 H3' DG B 4 5.869 -0.557 -7.835 1.00 0.33 H new ATOM 0 H2' DG B 4 4.944 -0.308 -5.430 1.00 0.33 H new ATOM 0 H2'' DG B 4 4.166 0.919 -6.411 1.00 0.33 H new ATOM 0 H1' DG B 4 2.206 -0.552 -6.868 1.00 0.31 H new ATOM 0 H8 DG B 4 3.828 -1.533 -3.501 1.00 0.32 H new ATOM 0 H1 DG B 4 -2.050 0.966 -3.172 1.00 0.36 H new ATOM 0 H21 DG B 4 -1.875 1.174 -6.595 1.00 0.47 H new ATOM 0 H22 DG B 4 -2.811 1.426 -5.118 1.00 0.47 H new ATOM 358 P DG B 5 4.641 0.776 -9.688 1.00 0.51 P ATOM 359 OP1 DG B 5 3.922 0.725 -10.983 1.00 0.70 O ATOM 360 OP2 DG B 5 6.124 0.777 -9.657 1.00 0.64 O ATOM 361 O5' DG B 5 4.080 2.035 -8.822 1.00 0.51 O ATOM 362 C5' DG B 5 2.656 2.298 -8.696 1.00 0.50 C ATOM 363 C4' DG B 5 2.261 3.313 -7.551 1.00 0.51 C ATOM 364 O4' DG B 5 2.536 2.820 -6.207 1.00 0.47 O ATOM 365 C3' DG B 5 2.841 4.746 -7.554 1.00 0.54 C ATOM 366 O3' DG B 5 1.911 5.811 -7.180 1.00 0.68 O ATOM 367 C2' DG B 5 3.915 4.602 -6.470 1.00 0.49 C ATOM 368 C1' DG B 5 3.138 3.850 -5.388 1.00 0.41 C ATOM 369 N9 DG B 5 3.995 3.277 -4.295 1.00 0.35 N ATOM 370 C8 DG B 5 5.339 2.975 -4.319 1.00 0.39 C ATOM 371 N7 DG B 5 5.802 2.464 -3.218 1.00 0.41 N ATOM 372 C5 DG B 5 4.700 2.419 -2.375 1.00 0.35 C ATOM 373 C6 DG B 5 4.607 1.955 -1.027 1.00 0.38 C ATOM 374 O6 DG B 5 5.476 1.481 -0.299 1.00 0.47 O ATOM 375 N1 DG B 5 3.324 2.093 -0.556 1.00 0.34 N ATOM 376 C2 DG B 5 2.284 2.599 -1.278 1.00 0.29 C ATOM 377 N2 DG B 5 1.151 2.671 -0.632 1.00 0.30 N ATOM 378 N3 DG B 5 2.336 3.036 -2.530 1.00 0.29 N ATOM 379 C4 DG B 5 3.588 2.915 -3.021 1.00 0.31 C ATOM 0 H5' DG B 5 2.142 1.354 -8.516 1.00 0.50 H new ATOM 0 H5'' DG B 5 2.288 2.685 -9.646 1.00 0.50 H new ATOM 0 H4' DG B 5 1.203 3.383 -7.805 1.00 0.51 H new ATOM 0 H3' DG B 5 3.162 5.048 -8.551 1.00 0.54 H new ATOM 0 H2' DG B 5 4.782 4.042 -6.820 1.00 0.49 H new ATOM 0 H2'' DG B 5 4.280 5.568 -6.120 1.00 0.49 H new ATOM 0 H1' DG B 5 2.449 4.476 -4.820 1.00 0.41 H new ATOM 0 H8 DG B 5 5.959 3.149 -5.186 1.00 0.39 H new ATOM 0 H1 DG B 5 3.136 1.796 0.402 1.00 0.34 H new ATOM 0 H21 DG B 5 0.321 3.038 -1.098 1.00 0.30 H new ATOM 0 H22 DG B 5 1.096 2.360 0.338 1.00 0.30 H new ATOM 391 P DA B 6 1.783 7.222 -7.984 1.00 0.82 P ATOM 392 OP1 DA B 6 2.210 6.963 -9.380 1.00 1.02 O ATOM 393 OP2 DA B 6 2.476 8.253 -7.177 1.00 1.08 O ATOM 394 O5' DA B 6 0.210 7.537 -7.984 1.00 0.70 O ATOM 395 C5' DA B 6 -0.791 6.858 -8.775 1.00 0.72 C ATOM 396 C4' DA B 6 -2.130 6.993 -8.018 1.00 0.63 C ATOM 397 O4' DA B 6 -2.074 6.297 -6.759 1.00 0.54 O ATOM 398 C3' DA B 6 -2.386 8.430 -7.613 1.00 0.50 C ATOM 399 O3' DA B 6 -2.923 9.284 -8.623 1.00 0.67 O ATOM 400 C2' DA B 6 -3.329 8.294 -6.446 1.00 0.46 C ATOM 401 C1' DA B 6 -2.725 7.070 -5.733 1.00 0.46 C ATOM 402 N9 DA B 6 -1.800 7.308 -4.592 1.00 0.39 N ATOM 403 C8 DA B 6 -0.441 7.117 -4.521 1.00 0.36 C ATOM 404 N7 DA B 6 0.076 7.440 -3.367 1.00 0.31 N ATOM 405 C5 DA B 6 -1.008 7.870 -2.615 1.00 0.31 C ATOM 406 C6 DA B 6 -1.130 8.348 -1.299 1.00 0.30 C ATOM 407 N6 DA B 6 -0.115 8.480 -0.450 1.00 0.31 N ATOM 408 N1 DA B 6 -2.352 8.682 -0.882 1.00 0.36 N ATOM 409 C2 DA B 6 -3.389 8.560 -1.701 1.00 0.42 C ATOM 410 N3 DA B 6 -3.401 8.131 -2.957 1.00 0.43 N ATOM 411 C4 DA B 6 -2.155 7.796 -3.355 1.00 0.36 C ATOM 0 H5' DA B 6 -0.529 5.809 -8.911 1.00 0.72 H new ATOM 0 H5'' DA B 6 -0.863 7.300 -9.769 1.00 0.72 H new ATOM 0 H4' DA B 6 -2.892 6.602 -8.692 1.00 0.63 H new ATOM 0 H3' DA B 6 -1.444 8.929 -7.386 1.00 0.50 H new ATOM 0 H2' DA B 6 -3.334 9.181 -5.813 1.00 0.46 H new ATOM 0 H2'' DA B 6 -4.358 8.122 -6.763 1.00 0.46 H new ATOM 0 H1' DA B 6 -3.552 6.562 -5.237 1.00 0.46 H new ATOM 0 H8 DA B 6 0.145 6.735 -5.344 1.00 0.36 H new ATOM 0 H61 DA B 6 -0.281 8.835 0.492 1.00 0.31 H new ATOM 0 H62 DA B 6 0.829 8.226 -0.741 1.00 0.31 H new ATOM 0 H2 DA B 6 -4.347 8.847 -1.293 1.00 0.42 H new ATOM 423 P DT B 7 -2.502 10.825 -8.762 1.00 0.63 P ATOM 424 OP1 DT B 7 -3.149 11.374 -9.975 1.00 1.01 O ATOM 425 OP2 DT B 7 -1.035 10.951 -8.590 1.00 0.80 O ATOM 426 O5' DT B 7 -3.220 11.485 -7.494 1.00 0.57 O ATOM 427 C5' DT B 7 -4.646 11.551 -7.298 1.00 0.85 C ATOM 428 C4' DT B 7 -4.868 12.010 -5.859 1.00 1.02 C ATOM 429 O4' DT B 7 -4.244 11.118 -4.921 1.00 0.95 O ATOM 430 C3' DT B 7 -4.339 13.380 -5.544 1.00 1.11 C ATOM 431 O3' DT B 7 -5.322 14.365 -5.768 1.00 1.45 O ATOM 432 C2' DT B 7 -3.839 13.338 -4.108 1.00 1.41 C ATOM 433 C1' DT B 7 -3.660 11.846 -3.822 1.00 1.20 C ATOM 434 N1 DT B 7 -2.218 11.513 -3.738 1.00 1.14 N ATOM 435 C2 DT B 7 -1.643 11.332 -2.501 1.00 1.50 C ATOM 436 O2 DT B 7 -2.253 11.433 -1.439 1.00 1.76 O ATOM 437 N3 DT B 7 -0.301 11.040 -2.517 1.00 1.61 N ATOM 438 C4 DT B 7 0.508 10.916 -3.644 1.00 1.45 C ATOM 439 O4 DT B 7 1.700 10.665 -3.489 1.00 1.73 O ATOM 440 C5 DT B 7 -0.170 11.116 -4.908 1.00 1.05 C ATOM 441 C7 DT B 7 0.566 10.987 -6.231 1.00 1.02 C ATOM 442 C6 DT B 7 -1.483 11.405 -4.893 1.00 0.87 C ATOM 0 H5' DT B 7 -5.106 10.578 -7.470 1.00 0.85 H new ATOM 0 H5'' DT B 7 -5.102 12.248 -8.002 1.00 0.85 H new ATOM 0 H4' DT B 7 -5.954 12.021 -5.766 1.00 1.02 H new ATOM 0 H3' DT B 7 -3.515 13.655 -6.202 1.00 1.11 H new ATOM 0 H2' DT B 7 -2.901 13.881 -3.996 1.00 1.41 H new ATOM 0 H2'' DT B 7 -4.554 13.793 -3.423 1.00 1.41 H new ATOM 0 HO3' DT B 7 -4.955 15.248 -5.554 1.00 1.45 H new ATOM 0 H1' DT B 7 -4.137 11.586 -2.877 1.00 1.20 H new ATOM 0 H3 DT B 7 0.149 10.900 -1.612 1.00 1.61 H new ATOM 0 H71 DT B 7 1.611 11.266 -6.095 1.00 1.02 H new ATOM 0 H72 DT B 7 0.508 9.956 -6.581 1.00 1.02 H new ATOM 0 H73 DT B 7 0.108 11.646 -6.968 1.00 1.02 H new ATOM 0 H6 DT B 7 -1.985 11.560 -5.837 1.00 0.87 H new TER 456 DT B 7