USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 47:sc= 0.829 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.23! (180deg=-7.6!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.243 -4.116 -7.285 1.00 0.00 O ATOM 2 C5' DG A 1 3.289 -4.094 -8.712 1.00 0.00 C ATOM 3 C4' DG A 1 1.935 -3.714 -9.312 1.00 0.00 C ATOM 4 O4' DG A 1 0.934 -4.637 -8.881 1.00 0.00 O ATOM 5 C3' DG A 1 1.439 -2.336 -8.914 1.00 0.00 C ATOM 6 O3' DG A 1 1.942 -1.352 -9.824 1.00 0.00 O ATOM 7 C2' DG A 1 -0.070 -2.461 -9.067 1.00 0.00 C ATOM 8 C1' DG A 1 -0.325 -3.947 -8.812 1.00 0.00 C ATOM 9 N9 DG A 1 -0.922 -4.220 -7.490 1.00 0.00 N ATOM 10 C8 DG A 1 -2.229 -4.121 -7.104 1.00 0.00 C ATOM 11 N7 DG A 1 -2.460 -4.401 -5.857 1.00 0.00 N ATOM 12 C5 DG A 1 -1.196 -4.718 -5.362 1.00 0.00 C ATOM 13 C6 DG A 1 -0.803 -5.108 -4.052 1.00 0.00 C ATOM 14 O6 DG A 1 -1.507 -5.248 -3.054 1.00 0.00 O ATOM 15 N1 DG A 1 0.566 -5.336 -3.979 1.00 0.00 N ATOM 16 C2 DG A 1 1.449 -5.207 -5.030 1.00 0.00 C ATOM 17 N2 DG A 1 2.726 -5.474 -4.761 1.00 0.00 N ATOM 18 N3 DG A 1 1.084 -4.838 -6.263 1.00 0.00 N ATOM 19 C4 DG A 1 -0.247 -4.611 -6.357 1.00 0.00 C ATOM 0 H5' DG A 1 3.590 -5.074 -9.082 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.046 -3.383 -9.041 1.00 0.00 H new ATOM 0 H4' DG A 1 2.095 -3.729 -10.390 1.00 0.00 H new ATOM 0 H3' DG A 1 1.753 -2.033 -7.915 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.601 -1.833 -8.352 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.400 -2.161 -10.061 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.452 -4.614 -6.991 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.033 -4.287 -9.567 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.014 -3.831 -7.787 1.00 0.00 H new ATOM 0 H1 DG A 1 0.947 -5.621 -3.077 1.00 0.00 H new ATOM 0 H21 DG A 1 3.429 -5.397 -5.496 1.00 0.00 H new ATOM 0 H22 DG A 1 3.001 -5.755 -3.820 1.00 0.00 H new ATOM 32 P DG A 2 2.202 0.154 -9.320 1.00 0.00 P ATOM 33 OP1 DG A 2 2.741 0.938 -10.454 1.00 0.00 O ATOM 34 OP2 DG A 2 2.950 0.090 -8.045 1.00 0.00 O ATOM 35 O5' DG A 2 0.710 0.680 -9.005 1.00 0.00 O ATOM 36 C5' DG A 2 -0.241 0.834 -10.063 1.00 0.00 C ATOM 37 C4' DG A 2 -1.667 0.972 -9.529 1.00 0.00 C ATOM 38 O4' DG A 2 -2.039 -0.196 -8.803 1.00 0.00 O ATOM 39 C3' DG A 2 -1.868 2.150 -8.587 1.00 0.00 C ATOM 40 O3' DG A 2 -2.233 3.320 -9.322 1.00 0.00 O ATOM 41 C2' DG A 2 -3.030 1.692 -7.726 1.00 0.00 C ATOM 42 C1' DG A 2 -2.757 0.195 -7.622 1.00 0.00 C ATOM 43 N9 DG A 2 -1.933 -0.175 -6.455 1.00 0.00 N ATOM 44 C8 DG A 2 -0.573 -0.237 -6.347 1.00 0.00 C ATOM 45 N7 DG A 2 -0.127 -0.565 -5.170 1.00 0.00 N ATOM 46 C5 DG A 2 -1.291 -0.740 -4.423 1.00 0.00 C ATOM 47 C6 DG A 2 -1.455 -1.105 -3.058 1.00 0.00 C ATOM 48 O6 DG A 2 -0.584 -1.341 -2.223 1.00 0.00 O ATOM 49 N1 DG A 2 -2.797 -1.171 -2.706 1.00 0.00 N ATOM 50 C2 DG A 2 -3.853 -0.918 -3.556 1.00 0.00 C ATOM 51 N2 DG A 2 -5.074 -1.037 -3.035 1.00 0.00 N ATOM 52 N3 DG A 2 -3.705 -0.574 -4.839 1.00 0.00 N ATOM 53 C4 DG A 2 -2.403 -0.504 -5.204 1.00 0.00 C ATOM 0 H5' DG A 2 -0.184 -0.026 -10.731 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.012 1.714 -10.654 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.281 1.127 -10.416 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.975 2.409 -8.019 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.034 2.177 -6.750 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.993 1.902 -8.191 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.719 -0.307 -7.513 1.00 0.00 H new ATOM 0 H8 DG A 2 0.084 -0.029 -7.178 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.019 -1.427 -1.744 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.895 -0.863 -3.615 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.187 -1.303 -2.057 1.00 0.00 H new ATOM 65 P DG A 3 -2.121 4.769 -8.633 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.153 5.793 -9.700 1.00 0.00 O ATOM 67 OP2 DG A 3 -0.995 4.737 -7.672 1.00 0.00 O ATOM 68 O5' DG A 3 -3.497 4.864 -7.802 1.00 0.00 O ATOM 69 C5' DG A 3 -4.755 4.777 -8.475 1.00 0.00 C ATOM 70 C4' DG A 3 -5.924 4.958 -7.513 1.00 0.00 C ATOM 71 O4' DG A 3 -5.808 3.989 -6.458 1.00 0.00 O ATOM 72 C3' DG A 3 -5.989 6.343 -6.877 1.00 0.00 C ATOM 73 O3' DG A 3 -7.300 6.882 -7.071 1.00 0.00 O ATOM 74 C2' DG A 3 -5.735 6.139 -5.389 1.00 0.00 C ATOM 75 C1' DG A 3 -5.738 4.628 -5.181 1.00 0.00 C ATOM 76 N9 DG A 3 -4.530 4.122 -4.498 1.00 0.00 N ATOM 77 C8 DG A 3 -3.254 4.017 -4.973 1.00 0.00 C ATOM 78 N7 DG A 3 -2.389 3.540 -4.130 1.00 0.00 N ATOM 79 C5 DG A 3 -3.153 3.304 -2.988 1.00 0.00 C ATOM 80 C6 DG A 3 -2.763 2.781 -1.726 1.00 0.00 C ATOM 81 O6 DG A 3 -1.645 2.420 -1.362 1.00 0.00 O ATOM 82 N1 DG A 3 -3.840 2.704 -0.853 1.00 0.00 N ATOM 83 C2 DG A 3 -5.133 3.079 -1.154 1.00 0.00 C ATOM 84 N2 DG A 3 -6.034 2.927 -0.183 1.00 0.00 N ATOM 85 N3 DG A 3 -5.502 3.573 -2.341 1.00 0.00 N ATOM 86 C4 DG A 3 -4.466 3.657 -3.206 1.00 0.00 C ATOM 0 H5' DG A 3 -4.837 3.809 -8.969 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.804 5.538 -9.254 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.833 4.828 -8.100 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.262 7.027 -7.314 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.782 6.575 -5.090 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.508 6.620 -4.789 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.597 4.404 -4.549 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.984 4.309 -5.977 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.661 2.342 0.084 1.00 0.00 H new ATOM 0 H21 DG A 3 -7.007 3.187 -0.345 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.750 2.551 0.722 1.00 0.00 H new ATOM 98 P DG A 4 -7.564 7.999 -8.200 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.349 8.837 -8.315 1.00 0.00 O ATOM 100 OP2 DG A 4 -8.874 8.631 -7.929 1.00 0.00 O ATOM 101 O5' DG A 4 -7.698 7.118 -9.541 1.00 0.00 O ATOM 102 C5' DG A 4 -8.988 6.739 -10.030 1.00 0.00 C ATOM 103 C4' DG A 4 -8.900 6.124 -11.425 1.00 0.00 C ATOM 104 O4' DG A 4 -8.359 7.083 -12.334 1.00 0.00 O ATOM 105 C3' DG A 4 -8.014 4.889 -11.495 1.00 0.00 C ATOM 106 O3' DG A 4 -8.540 3.977 -12.466 1.00 0.00 O ATOM 107 C2' DG A 4 -6.666 5.420 -11.962 1.00 0.00 C ATOM 108 C1' DG A 4 -7.009 6.732 -12.665 1.00 0.00 C ATOM 109 N9 DG A 4 -6.149 7.861 -12.269 1.00 0.00 N ATOM 110 C8 DG A 4 -5.655 8.176 -11.035 1.00 0.00 C ATOM 111 N7 DG A 4 -4.919 9.246 -10.993 1.00 0.00 N ATOM 112 C5 DG A 4 -4.920 9.686 -12.314 1.00 0.00 C ATOM 113 C6 DG A 4 -4.285 10.817 -12.897 1.00 0.00 C ATOM 114 O6 DG A 4 -3.586 11.665 -12.348 1.00 0.00 O ATOM 115 N1 DG A 4 -4.540 10.896 -14.260 1.00 0.00 N ATOM 116 C2 DG A 4 -5.310 10.002 -14.976 1.00 0.00 C ATOM 117 N2 DG A 4 -5.442 10.246 -16.280 1.00 0.00 N ATOM 118 N3 DG A 4 -5.907 8.938 -14.431 1.00 0.00 N ATOM 119 C4 DG A 4 -5.671 8.844 -13.103 1.00 0.00 C ATOM 0 H5' DG A 4 -9.639 7.613 -10.057 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.442 6.024 -9.344 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.917 5.828 -11.685 1.00 0.00 H new ATOM 0 H3' DG A 4 -7.949 4.359 -10.545 1.00 0.00 H new ATOM 0 H2' DG A 4 -5.989 5.582 -11.124 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.174 4.721 -12.639 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.861 6.563 -13.732 1.00 0.00 H new ATOM 0 H8 DG A 4 -5.861 7.579 -10.159 1.00 0.00 H new ATOM 0 H1 DG A 4 -4.126 11.675 -14.772 1.00 0.00 H new ATOM 0 H21 DG A 4 -5.999 9.621 -16.862 1.00 0.00 H new ATOM 0 H22 DG A 4 -4.986 11.058 -16.696 1.00 0.00 H new ATOM 131 P DC A 5 -9.572 2.821 -12.027 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.116 2.196 -13.254 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.494 3.384 -11.017 1.00 0.00 O ATOM 134 O5' DC A 5 -8.616 1.749 -11.296 1.00 0.00 O ATOM 135 C5' DC A 5 -7.526 1.152 -12.003 1.00 0.00 C ATOM 136 C4' DC A 5 -6.847 0.055 -11.181 1.00 0.00 C ATOM 137 O4' DC A 5 -6.358 0.544 -9.943 1.00 0.00 O ATOM 138 C3' DC A 5 -7.767 -1.116 -10.822 1.00 0.00 C ATOM 139 O3' DC A 5 -7.586 -2.156 -11.792 1.00 0.00 O ATOM 140 C2' DC A 5 -7.292 -1.602 -9.464 1.00 0.00 C ATOM 141 C1' DC A 5 -6.235 -0.585 -9.072 1.00 0.00 C ATOM 142 N1 DC A 5 -6.345 -0.107 -7.678 1.00 0.00 N ATOM 143 C2 DC A 5 -5.986 -0.993 -6.676 1.00 0.00 C ATOM 144 O2 DC A 5 -5.604 -2.125 -6.964 1.00 0.00 O ATOM 145 N3 DC A 5 -6.051 -0.568 -5.383 1.00 0.00 N ATOM 146 C4 DC A 5 -6.451 0.676 -5.086 1.00 0.00 C ATOM 147 N4 DC A 5 -6.501 1.061 -3.809 1.00 0.00 N ATOM 148 C5 DC A 5 -6.825 1.594 -6.120 1.00 0.00 C ATOM 149 C6 DC A 5 -6.757 1.163 -7.397 1.00 0.00 C ATOM 0 H5' DC A 5 -6.795 1.919 -12.259 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.888 0.731 -12.941 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.044 -0.286 -11.835 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.819 -0.832 -10.805 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.107 -1.632 -8.741 1.00 0.00 H new ATOM 0 H2'' DC A 5 -6.878 -2.609 -9.520 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.270 -1.084 -9.158 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.804 2.006 -3.573 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.236 0.410 -3.069 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.150 2.597 -5.886 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.031 1.828 -8.203 1.00 0.00 H new ATOM 161 P DG A 6 -8.754 -3.233 -12.074 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.328 -4.089 -13.205 1.00 0.00 O ATOM 163 OP2 DG A 6 -10.042 -2.508 -12.146 1.00 0.00 O ATOM 164 O5' DG A 6 -8.749 -4.131 -10.732 1.00 0.00 O ATOM 165 C5' DG A 6 -9.895 -4.917 -10.386 1.00 0.00 C ATOM 166 C4' DG A 6 -9.740 -5.605 -9.028 1.00 0.00 C ATOM 167 O4' DG A 6 -8.652 -6.523 -9.039 1.00 0.00 O ATOM 168 C3' DG A 6 -9.463 -4.667 -7.868 1.00 0.00 C ATOM 169 O3' DG A 6 -10.693 -4.151 -7.355 1.00 0.00 O ATOM 170 C2' DG A 6 -8.819 -5.586 -6.837 1.00 0.00 C ATOM 171 C1' DG A 6 -8.176 -6.679 -7.694 1.00 0.00 C ATOM 172 N9 DG A 6 -6.708 -6.608 -7.717 1.00 0.00 N ATOM 173 C8 DG A 6 -5.893 -5.926 -8.570 1.00 0.00 C ATOM 174 N7 DG A 6 -4.622 -6.036 -8.324 1.00 0.00 N ATOM 175 C5 DG A 6 -4.587 -6.868 -7.206 1.00 0.00 C ATOM 176 C6 DG A 6 -3.475 -7.353 -6.468 1.00 0.00 C ATOM 177 O6 DG A 6 -2.281 -7.138 -6.660 1.00 0.00 O ATOM 178 N1 DG A 6 -3.878 -8.162 -5.413 1.00 0.00 N ATOM 179 C2 DG A 6 -5.186 -8.467 -5.102 1.00 0.00 C ATOM 180 N2 DG A 6 -5.370 -9.262 -4.046 1.00 0.00 N ATOM 181 N3 DG A 6 -6.234 -8.014 -5.794 1.00 0.00 N ATOM 182 C4 DG A 6 -5.861 -7.223 -6.829 1.00 0.00 C ATOM 0 H5' DG A 6 -10.061 -5.671 -11.156 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.778 -4.279 -10.369 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.706 -6.088 -8.879 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.845 -3.811 -8.138 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.079 -5.059 -6.235 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.557 -5.997 -6.148 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.449 -7.641 -7.260 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.276 -5.337 -9.391 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.149 -8.562 -4.822 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.314 -9.525 -3.764 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.566 -9.607 -3.521 1.00 0.00 H new ATOM 194 P DG A 7 -10.721 -2.767 -6.530 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.112 -2.259 -6.537 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.619 -1.909 -7.020 1.00 0.00 O ATOM 197 O5' DG A 7 -10.364 -3.241 -5.031 1.00 0.00 O ATOM 198 C5' DG A 7 -11.225 -4.155 -4.352 1.00 0.00 C ATOM 199 C4' DG A 7 -10.852 -4.336 -2.879 1.00 0.00 C ATOM 200 O4' DG A 7 -9.548 -4.910 -2.685 1.00 0.00 O ATOM 201 C3' DG A 7 -10.822 -3.047 -2.049 1.00 0.00 C ATOM 202 O3' DG A 7 -12.139 -2.738 -1.577 1.00 0.00 O ATOM 203 C2' DG A 7 -9.928 -3.445 -0.865 1.00 0.00 C ATOM 204 C1' DG A 7 -9.407 -4.814 -1.276 1.00 0.00 C ATOM 205 N9 DG A 7 -8.003 -5.089 -0.882 1.00 0.00 N ATOM 206 C8 DG A 7 -7.548 -5.447 0.354 1.00 0.00 C ATOM 207 N7 DG A 7 -6.267 -5.602 0.454 1.00 0.00 N ATOM 208 C5 DG A 7 -5.806 -5.328 -0.827 1.00 0.00 C ATOM 209 C6 DG A 7 -4.475 -5.340 -1.324 1.00 0.00 C ATOM 210 O6 DG A 7 -3.437 -5.587 -0.713 1.00 0.00 O ATOM 211 N1 DG A 7 -4.429 -5.010 -2.668 1.00 0.00 N ATOM 212 C2 DG A 7 -5.528 -4.707 -3.447 1.00 0.00 C ATOM 213 N2 DG A 7 -5.276 -4.420 -4.722 1.00 0.00 N ATOM 214 N3 DG A 7 -6.791 -4.693 -2.984 1.00 0.00 N ATOM 215 C4 DG A 7 -6.858 -5.012 -1.667 1.00 0.00 C ATOM 0 H5' DG A 7 -11.189 -5.122 -4.853 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.253 -3.799 -4.421 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.654 -4.993 -2.543 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.470 -2.175 -2.600 1.00 0.00 H new ATOM 0 H2' DG A 7 -9.117 -2.733 -0.714 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.490 -3.490 0.068 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.992 -5.565 -0.745 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.213 -5.591 1.193 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.513 -4.989 -3.117 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.042 -4.187 -5.353 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.316 -4.433 -5.068 1.00 0.00 H new ATOM 227 P DG A 8 -12.542 -1.235 -1.168 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.972 -1.233 -0.786 1.00 0.00 O ATOM 229 OP2 DG A 8 -12.061 -0.323 -2.229 1.00 0.00 O ATOM 230 O5' DG A 8 -11.663 -0.980 0.158 1.00 0.00 O ATOM 231 C5' DG A 8 -11.904 -1.748 1.339 1.00 0.00 C ATOM 232 C4' DG A 8 -10.692 -1.773 2.262 1.00 0.00 C ATOM 233 O4' DG A 8 -9.510 -2.202 1.572 1.00 0.00 O ATOM 234 C3' DG A 8 -10.327 -0.419 2.855 1.00 0.00 C ATOM 235 O3' DG A 8 -10.996 -0.242 4.107 1.00 0.00 O ATOM 236 C2' DG A 8 -8.821 -0.514 3.090 1.00 0.00 C ATOM 237 C1' DG A 8 -8.419 -1.828 2.414 1.00 0.00 C ATOM 238 N9 DG A 8 -7.204 -1.742 1.583 1.00 0.00 N ATOM 239 C8 DG A 8 -7.073 -1.376 0.275 1.00 0.00 C ATOM 240 N7 DG A 8 -5.855 -1.387 -0.181 1.00 0.00 N ATOM 241 C5 DG A 8 -5.106 -1.799 0.920 1.00 0.00 C ATOM 242 C6 DG A 8 -3.704 -2.004 1.047 1.00 0.00 C ATOM 243 O6 DG A 8 -2.830 -1.855 0.194 1.00 0.00 O ATOM 244 N1 DG A 8 -3.365 -2.423 2.328 1.00 0.00 N ATOM 245 C2 DG A 8 -4.259 -2.622 3.360 1.00 0.00 C ATOM 246 N2 DG A 8 -3.743 -3.033 4.518 1.00 0.00 N ATOM 247 N3 DG A 8 -5.575 -2.428 3.244 1.00 0.00 N ATOM 248 C4 DG A 8 -5.926 -2.020 2.004 1.00 0.00 C ATOM 0 H5' DG A 8 -12.168 -2.768 1.060 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.758 -1.332 1.874 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.996 -2.460 3.052 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.608 0.414 2.211 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.295 0.336 2.654 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.583 -0.524 4.154 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.196 -2.550 3.199 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.919 -1.098 -0.337 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.379 -2.597 2.520 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.353 -3.198 5.318 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.738 -3.183 4.604 1.00 0.00 H new ATOM 260 P DG A 9 -10.899 1.162 4.884 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.951 1.192 5.924 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.831 2.241 3.874 1.00 0.00 O ATOM 263 O5' DG A 9 -9.466 1.065 5.617 1.00 0.00 O ATOM 264 C5' DG A 9 -9.180 -0.008 6.519 1.00 0.00 C ATOM 265 C4' DG A 9 -7.690 -0.078 6.868 1.00 0.00 C ATOM 266 O4' DG A 9 -6.900 -0.039 5.658 1.00 0.00 O ATOM 267 C3' DG A 9 -7.189 1.092 7.732 1.00 0.00 C ATOM 268 O3' DG A 9 -6.238 0.613 8.693 1.00 0.00 O ATOM 269 C2' DG A 9 -6.457 1.961 6.730 1.00 0.00 C ATOM 270 C1' DG A 9 -5.831 0.866 5.906 1.00 0.00 C ATOM 271 N9 DG A 9 -5.223 1.279 4.631 1.00 0.00 N ATOM 272 C8 DG A 9 -5.803 1.733 3.483 1.00 0.00 C ATOM 273 N7 DG A 9 -4.969 2.029 2.527 1.00 0.00 N ATOM 274 C5 DG A 9 -3.724 1.743 3.094 1.00 0.00 C ATOM 275 C6 DG A 9 -2.416 1.861 2.546 1.00 0.00 C ATOM 276 O6 DG A 9 -2.089 2.254 1.427 1.00 0.00 O ATOM 277 N1 DG A 9 -1.444 1.464 3.460 1.00 0.00 N ATOM 278 C2 DG A 9 -1.697 1.011 4.738 1.00 0.00 C ATOM 279 N2 DG A 9 -0.638 0.670 5.471 1.00 0.00 N ATOM 280 N3 DG A 9 -2.920 0.902 5.251 1.00 0.00 N ATOM 281 C4 DG A 9 -3.879 1.284 4.379 1.00 0.00 C ATOM 0 H5' DG A 9 -9.493 -0.952 6.072 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.761 0.120 7.432 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.578 -1.006 7.428 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.989 1.600 8.271 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.127 2.597 6.151 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.720 2.615 7.195 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.988 0.451 6.458 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.872 1.839 3.375 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.470 1.512 3.162 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.766 0.328 6.424 1.00 0.00 H new ATOM 0 H22 DG A 9 0.300 0.751 5.080 1.00 0.00 H new ATOM 293 P DC A 10 -6.701 -0.019 10.096 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.944 0.656 10.523 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.527 -0.046 10.999 1.00 0.00 O ATOM 296 O5' DC A 10 -7.054 -1.535 9.693 1.00 0.00 O ATOM 297 C5' DC A 10 -6.009 -2.483 9.452 1.00 0.00 C ATOM 298 C4' DC A 10 -6.563 -3.895 9.306 1.00 0.00 C ATOM 299 O4' DC A 10 -7.170 -4.296 10.535 1.00 0.00 O ATOM 300 C3' DC A 10 -7.620 -4.022 8.221 1.00 0.00 C ATOM 301 O3' DC A 10 -7.566 -5.333 7.653 1.00 0.00 O ATOM 302 C2' DC A 10 -8.928 -3.836 8.969 1.00 0.00 C ATOM 303 C1' DC A 10 -8.597 -4.297 10.388 1.00 0.00 C ATOM 304 N1 DC A 10 -9.151 -3.433 11.449 1.00 0.00 N ATOM 305 C2 DC A 10 -10.433 -3.711 11.895 1.00 0.00 C ATOM 306 O2 DC A 10 -11.069 -4.639 11.401 1.00 0.00 O ATOM 307 N3 DC A 10 -10.955 -2.937 12.886 1.00 0.00 N ATOM 308 C4 DC A 10 -10.248 -1.930 13.418 1.00 0.00 C ATOM 309 N4 DC A 10 -10.789 -1.193 14.389 1.00 0.00 N ATOM 310 C5 DC A 10 -8.924 -1.639 12.960 1.00 0.00 C ATOM 311 C6 DC A 10 -8.418 -2.411 11.979 1.00 0.00 C ATOM 0 H5' DC A 10 -5.293 -2.454 10.273 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.467 -2.208 8.547 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.716 -4.525 9.034 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.491 -3.308 7.408 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.256 -2.797 8.951 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.729 -4.431 8.530 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.045 -5.284 10.507 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.260 -0.424 14.801 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.732 -1.398 14.720 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.351 -0.829 13.386 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.422 -2.219 11.608 1.00 0.00 H new ATOM 323 P DG A 11 -6.720 -5.601 6.309 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.589 -4.322 5.579 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.293 -6.786 5.631 1.00 0.00 O ATOM 326 O5' DG A 11 -5.269 -6.002 6.882 1.00 0.00 O ATOM 327 C5' DG A 11 -5.120 -7.154 7.711 1.00 0.00 C ATOM 328 C4' DG A 11 -3.655 -7.515 7.937 1.00 0.00 C ATOM 329 O4' DG A 11 -3.049 -8.009 6.737 1.00 0.00 O ATOM 330 C3' DG A 11 -2.784 -6.357 8.399 1.00 0.00 C ATOM 331 O3' DG A 11 -2.786 -6.293 9.831 1.00 0.00 O ATOM 332 C2' DG A 11 -1.389 -6.726 7.901 1.00 0.00 C ATOM 333 C1' DG A 11 -1.636 -7.836 6.872 1.00 0.00 C ATOM 334 N9 DG A 11 -1.074 -7.545 5.540 1.00 0.00 N ATOM 335 C8 DG A 11 0.222 -7.644 5.128 1.00 0.00 C ATOM 336 N7 DG A 11 0.439 -7.307 3.894 1.00 0.00 N ATOM 337 C5 DG A 11 -0.826 -6.949 3.435 1.00 0.00 C ATOM 338 C6 DG A 11 -1.230 -6.489 2.153 1.00 0.00 C ATOM 339 O6 DG A 11 -0.537 -6.308 1.156 1.00 0.00 O ATOM 340 N1 DG A 11 -2.595 -6.238 2.109 1.00 0.00 N ATOM 341 C2 DG A 11 -3.467 -6.406 3.164 1.00 0.00 C ATOM 342 N2 DG A 11 -4.744 -6.108 2.926 1.00 0.00 N ATOM 343 N3 DG A 11 -3.091 -6.840 4.374 1.00 0.00 N ATOM 344 C4 DG A 11 -1.762 -7.091 4.437 1.00 0.00 C ATOM 0 H5' DG A 11 -5.634 -7.999 7.252 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.600 -6.972 8.672 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.696 -8.268 8.724 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.126 -5.391 8.027 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.888 -5.869 7.450 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.754 -7.073 8.716 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.136 -8.733 7.238 1.00 0.00 H new ATOM 0 H8 DG A 11 1.013 -7.979 5.783 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.983 -5.903 1.227 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.438 -6.211 3.666 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.027 -5.777 2.004 1.00 0.00 H new ATOM 356 P DG A 12 -2.688 -4.872 10.582 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.730 -5.116 12.042 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.665 -3.956 9.955 1.00 0.00 O ATOM 359 O5' DG A 12 -1.205 -4.375 10.198 1.00 0.00 O ATOM 360 C5' DG A 12 -0.061 -5.100 10.654 1.00 0.00 C ATOM 361 C4' DG A 12 1.179 -4.779 9.820 1.00 0.00 C ATOM 362 O4' DG A 12 0.946 -5.058 8.448 1.00 0.00 O ATOM 363 C3' DG A 12 1.607 -3.320 9.877 1.00 0.00 C ATOM 364 O3' DG A 12 2.559 -3.146 10.930 1.00 0.00 O ATOM 365 C2' DG A 12 2.273 -3.063 8.530 1.00 0.00 C ATOM 366 C1' DG A 12 1.762 -4.201 7.641 1.00 0.00 C ATOM 367 N9 DG A 12 0.944 -3.751 6.500 1.00 0.00 N ATOM 368 C8 DG A 12 -0.402 -3.533 6.437 1.00 0.00 C ATOM 369 N7 DG A 12 -0.843 -3.130 5.283 1.00 0.00 N ATOM 370 C5 DG A 12 0.311 -3.073 4.504 1.00 0.00 C ATOM 371 C6 DG A 12 0.472 -2.699 3.143 1.00 0.00 C ATOM 372 O6 DG A 12 -0.387 -2.330 2.345 1.00 0.00 O ATOM 373 N1 DG A 12 1.801 -2.782 2.746 1.00 0.00 N ATOM 374 C2 DG A 12 2.846 -3.176 3.555 1.00 0.00 C ATOM 375 N2 DG A 12 4.055 -3.197 2.992 1.00 0.00 N ATOM 376 N3 DG A 12 2.697 -3.526 4.836 1.00 0.00 N ATOM 377 C4 DG A 12 1.409 -3.453 5.242 1.00 0.00 C ATOM 0 H5' DG A 12 -0.265 -6.170 10.606 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.131 -4.858 11.699 1.00 0.00 H new ATOM 0 H4' DG A 12 1.962 -5.402 10.253 1.00 0.00 H new ATOM 0 H3' DG A 12 0.774 -2.642 10.064 1.00 0.00 H new ATOM 0 H2' DG A 12 1.997 -2.088 8.128 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.360 -3.078 8.613 1.00 0.00 H new ATOM 0 H1' DG A 12 2.640 -4.700 7.231 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.053 -3.685 7.285 1.00 0.00 H new ATOM 0 H1 DG A 12 2.021 -2.532 1.782 1.00 0.00 H new ATOM 0 H21 DG A 12 4.868 -3.480 3.540 1.00 0.00 H new ATOM 0 H22 DG A 12 4.167 -2.930 2.014 1.00 0.00 H new ATOM 389 P DG A 13 2.949 -1.670 11.438 1.00 0.00 P ATOM 390 OP1 DG A 13 3.648 -1.796 12.736 1.00 0.00 O ATOM 391 OP2 DG A 13 1.750 -0.809 11.326 1.00 0.00 O ATOM 392 O5' DG A 13 4.020 -1.192 10.332 1.00 0.00 O ATOM 393 C5' DG A 13 5.231 -1.928 10.140 1.00 0.00 C ATOM 394 C4' DG A 13 5.981 -1.479 8.889 1.00 0.00 C ATOM 395 O4' DG A 13 5.158 -1.581 7.751 1.00 0.00 O ATOM 396 C3' DG A 13 6.459 -0.034 8.929 1.00 0.00 C ATOM 397 O3' DG A 13 7.796 0.011 9.430 1.00 0.00 O ATOM 398 C2' DG A 13 6.441 0.411 7.468 1.00 0.00 C ATOM 399 C1' DG A 13 5.581 -0.640 6.763 1.00 0.00 C ATOM 400 N9 DG A 13 4.377 -0.096 6.107 1.00 0.00 N ATOM 401 C8 DG A 13 3.132 0.117 6.625 1.00 0.00 C ATOM 402 N7 DG A 13 2.267 0.621 5.795 1.00 0.00 N ATOM 403 C5 DG A 13 2.999 0.756 4.617 1.00 0.00 C ATOM 404 C6 DG A 13 2.599 1.254 3.346 1.00 0.00 C ATOM 405 O6 DG A 13 1.499 1.686 3.008 1.00 0.00 O ATOM 406 N1 DG A 13 3.645 1.216 2.432 1.00 0.00 N ATOM 407 C2 DG A 13 4.917 0.758 2.703 1.00 0.00 C ATOM 408 N2 DG A 13 5.787 0.795 1.693 1.00 0.00 N ATOM 409 N3 DG A 13 5.296 0.292 3.895 1.00 0.00 N ATOM 410 C4 DG A 13 4.292 0.319 4.800 1.00 0.00 C ATOM 0 H5' DG A 13 5.001 -2.991 10.063 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.873 -1.803 11.012 1.00 0.00 H new ATOM 0 H4' DG A 13 6.846 -2.140 8.846 1.00 0.00 H new ATOM 0 H3' DG A 13 5.843 0.599 9.568 1.00 0.00 H new ATOM 0 H2' DG A 13 6.016 1.409 7.361 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.447 0.447 7.051 1.00 0.00 H new ATOM 0 H1' DG A 13 6.193 -1.081 5.976 1.00 0.00 H new ATOM 0 H8 DG A 13 2.883 -0.116 7.650 1.00 0.00 H new ATOM 0 H1 DG A 13 3.457 1.553 1.488 1.00 0.00 H new ATOM 0 H21 DG A 13 6.744 0.470 1.832 1.00 0.00 H new ATOM 0 H22 DG A 13 5.496 1.149 0.782 1.00 0.00 H new ATOM 422 P DG A 14 8.323 1.308 10.222 1.00 0.00 P ATOM 423 OP1 DG A 14 9.617 0.970 10.858 1.00 0.00 O ATOM 424 OP2 DG A 14 7.210 1.829 11.046 1.00 0.00 O ATOM 425 O5' DG A 14 8.607 2.355 9.030 1.00 0.00 O ATOM 426 C5' DG A 14 9.517 2.028 7.974 1.00 0.00 C ATOM 427 C4' DG A 14 9.260 2.866 6.725 1.00 0.00 C ATOM 428 O4' DG A 14 7.851 2.818 6.438 1.00 0.00 O ATOM 429 C3' DG A 14 9.654 4.333 6.881 1.00 0.00 C ATOM 430 O3' DG A 14 10.399 4.736 5.728 1.00 0.00 O ATOM 431 C2' DG A 14 8.350 5.122 6.936 1.00 0.00 C ATOM 432 C1' DG A 14 7.260 4.103 6.638 1.00 0.00 C ATOM 433 N9 DG A 14 6.269 3.971 7.717 1.00 0.00 N ATOM 434 C8 DG A 14 6.467 3.731 9.045 1.00 0.00 C ATOM 435 N7 DG A 14 5.386 3.660 9.761 1.00 0.00 N ATOM 436 C5 DG A 14 4.373 3.871 8.828 1.00 0.00 C ATOM 437 C6 DG A 14 2.965 3.909 9.005 1.00 0.00 C ATOM 438 O6 DG A 14 2.323 3.766 10.044 1.00 0.00 O ATOM 439 N1 DG A 14 2.306 4.145 7.806 1.00 0.00 N ATOM 440 C2 DG A 14 2.925 4.322 6.585 1.00 0.00 C ATOM 441 N2 DG A 14 2.123 4.530 5.541 1.00 0.00 N ATOM 442 N3 DG A 14 4.248 4.290 6.415 1.00 0.00 N ATOM 443 C4 DG A 14 4.907 4.060 7.573 1.00 0.00 C ATOM 0 H5' DG A 14 9.423 0.970 7.728 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.540 2.187 8.314 1.00 0.00 H new ATOM 0 H4' DG A 14 9.872 2.447 5.926 1.00 0.00 H new ATOM 0 H3' DG A 14 10.259 4.498 7.772 1.00 0.00 H new ATOM 0 H2' DG A 14 8.206 5.579 7.915 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.346 5.930 6.204 1.00 0.00 H new ATOM 0 H1' DG A 14 6.745 4.464 5.747 1.00 0.00 H new ATOM 0 H8 DG A 14 7.452 3.609 9.470 1.00 0.00 H new ATOM 0 H1 DG A 14 1.287 4.191 7.829 1.00 0.00 H new ATOM 0 H21 DG A 14 2.521 4.668 4.612 1.00 0.00 H new ATOM 0 H22 DG A 14 1.112 4.551 5.671 1.00 0.00 H new ATOM 455 P DC A 15 11.993 4.940 5.805 1.00 0.00 P ATOM 456 OP1 DC A 15 12.322 5.550 7.112 1.00 0.00 O ATOM 457 OP2 DC A 15 12.436 5.592 4.552 1.00 0.00 O ATOM 458 O5' DC A 15 12.539 3.426 5.802 1.00 0.00 O ATOM 459 C5' DC A 15 13.002 2.830 4.588 1.00 0.00 C ATOM 460 C4' DC A 15 13.685 1.491 4.846 1.00 0.00 C ATOM 461 O4' DC A 15 14.814 1.690 5.694 1.00 0.00 O ATOM 462 C3' DC A 15 12.790 0.464 5.525 1.00 0.00 C ATOM 463 O3' DC A 15 13.173 -0.851 5.114 1.00 0.00 O ATOM 464 C2' DC A 15 13.099 0.645 6.999 1.00 0.00 C ATOM 465 C1' DC A 15 14.529 1.172 7.001 1.00 0.00 C ATOM 466 N1 DC A 15 14.768 2.251 7.977 1.00 0.00 N ATOM 467 C2 DC A 15 15.128 1.878 9.260 1.00 0.00 C ATOM 468 O2 DC A 15 15.226 0.688 9.548 1.00 0.00 O ATOM 469 N3 DC A 15 15.363 2.856 10.176 1.00 0.00 N ATOM 470 C4 DC A 15 15.250 4.149 9.846 1.00 0.00 C ATOM 471 N4 DC A 15 15.489 5.080 10.770 1.00 0.00 N ATOM 472 C5 DC A 15 14.879 4.541 8.521 1.00 0.00 C ATOM 473 C6 DC A 15 14.648 3.565 7.622 1.00 0.00 C ATOM 0 H5' DC A 15 13.700 3.506 4.093 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.162 2.686 3.909 1.00 0.00 H new ATOM 0 H4' DC A 15 13.960 1.105 3.864 1.00 0.00 H new ATOM 0 H3' DC A 15 11.734 0.589 5.287 1.00 0.00 H new ATOM 0 H2' DC A 15 12.412 1.348 7.470 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.017 -0.295 7.545 1.00 0.00 H new ATOM 0 H1' DC A 15 15.173 0.338 7.280 1.00 0.00 H new ATOM 0 H41 DC A 15 15.406 6.068 10.531 1.00 0.00 H new ATOM 0 H42 DC A 15 15.754 4.804 11.715 1.00 0.00 H new ATOM 0 H5 DC A 15 14.787 5.583 8.251 1.00 0.00 H new ATOM 0 H6 DC A 15 14.366 3.823 6.612 1.00 0.00 H new ATOM 485 P DG A 16 12.542 -1.512 3.792 1.00 0.00 P ATOM 486 OP1 DG A 16 12.913 -2.945 3.772 1.00 0.00 O ATOM 487 OP2 DG A 16 12.875 -0.648 2.638 1.00 0.00 O ATOM 488 O5' DG A 16 10.957 -1.405 4.067 1.00 0.00 O ATOM 489 C5' DG A 16 10.385 -1.951 5.262 1.00 0.00 C ATOM 490 C4' DG A 16 8.866 -1.821 5.271 1.00 0.00 C ATOM 491 O4' DG A 16 8.529 -0.433 5.178 1.00 0.00 O ATOM 492 C3' DG A 16 8.184 -2.551 4.120 1.00 0.00 C ATOM 493 O3' DG A 16 7.033 -3.244 4.616 1.00 0.00 O ATOM 494 C2' DG A 16 7.741 -1.459 3.151 1.00 0.00 C ATOM 495 C1' DG A 16 7.963 -0.146 3.898 1.00 0.00 C ATOM 496 N9 DG A 16 8.877 0.782 3.209 1.00 0.00 N ATOM 497 C8 DG A 16 10.074 0.520 2.604 1.00 0.00 C ATOM 498 N7 DG A 16 10.655 1.546 2.061 1.00 0.00 N ATOM 499 C5 DG A 16 9.771 2.591 2.326 1.00 0.00 C ATOM 500 C6 DG A 16 9.860 3.967 1.983 1.00 0.00 C ATOM 501 O6 DG A 16 10.751 4.543 1.361 1.00 0.00 O ATOM 502 N1 DG A 16 8.759 4.678 2.444 1.00 0.00 N ATOM 503 C2 DG A 16 7.703 4.136 3.148 1.00 0.00 C ATOM 504 N2 DG A 16 6.740 4.984 3.513 1.00 0.00 N ATOM 505 N3 DG A 16 7.615 2.842 3.470 1.00 0.00 N ATOM 506 C4 DG A 16 8.680 2.131 3.030 1.00 0.00 C ATOM 0 H5' DG A 16 10.799 -1.439 6.130 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.661 -3.002 5.350 1.00 0.00 H new ATOM 0 H4' DG A 16 8.515 -2.276 6.197 1.00 0.00 H new ATOM 0 H3' DG A 16 8.844 -3.276 3.644 1.00 0.00 H new ATOM 0 H2' DG A 16 8.322 -1.491 2.230 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.694 -1.581 2.872 1.00 0.00 H new ATOM 0 H1' DG A 16 6.988 0.336 3.966 1.00 0.00 H new ATOM 0 H8 DG A 16 10.506 -0.470 2.579 1.00 0.00 H new ATOM 0 H1 DG A 16 8.729 5.678 2.247 1.00 0.00 H new ATOM 0 H21 DG A 16 5.933 4.644 4.036 1.00 0.00 H new ATOM 0 H22 DG A 16 6.811 5.972 3.269 1.00 0.00 H new ATOM 518 P DG A 17 7.088 -4.830 4.900 1.00 0.00 P ATOM 519 OP1 DG A 17 5.806 -5.235 5.516 1.00 0.00 O ATOM 520 OP2 DG A 17 8.367 -5.136 5.584 1.00 0.00 O ATOM 521 O5' DG A 17 7.143 -5.448 3.410 1.00 0.00 O ATOM 522 C5' DG A 17 7.872 -6.647 3.151 1.00 0.00 C ATOM 523 C4' DG A 17 8.318 -6.733 1.693 1.00 0.00 C ATOM 524 O4' DG A 17 7.283 -7.329 0.885 1.00 0.00 O ATOM 525 C3' DG A 17 8.671 -5.388 1.061 1.00 0.00 C ATOM 526 O3' DG A 17 10.097 -5.242 1.034 1.00 0.00 O ATOM 527 C2' DG A 17 8.134 -5.452 -0.371 1.00 0.00 C ATOM 528 C1' DG A 17 7.365 -6.776 -0.427 1.00 0.00 C ATOM 529 N9 DG A 17 5.994 -6.634 -0.937 1.00 0.00 N ATOM 530 C8 DG A 17 5.583 -6.473 -2.225 1.00 0.00 C ATOM 531 N7 DG A 17 4.300 -6.365 -2.387 1.00 0.00 N ATOM 532 C5 DG A 17 3.805 -6.464 -1.087 1.00 0.00 C ATOM 533 C6 DG A 17 2.465 -6.417 -0.616 1.00 0.00 C ATOM 534 O6 DG A 17 1.433 -6.279 -1.269 1.00 0.00 O ATOM 535 N1 DG A 17 2.404 -6.554 0.763 1.00 0.00 N ATOM 536 C2 DG A 17 3.494 -6.714 1.593 1.00 0.00 C ATOM 537 N2 DG A 17 3.235 -6.819 2.894 1.00 0.00 N ATOM 538 N3 DG A 17 4.758 -6.761 1.153 1.00 0.00 N ATOM 539 C4 DG A 17 4.837 -6.629 -0.191 1.00 0.00 C ATOM 0 H5' DG A 17 7.251 -7.510 3.393 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.745 -6.690 3.802 1.00 0.00 H new ATOM 0 H4' DG A 17 9.222 -7.341 1.715 1.00 0.00 H new ATOM 0 H3' DG A 17 8.249 -4.549 1.614 1.00 0.00 H new ATOM 0 H2' DG A 17 7.484 -4.605 -0.591 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.943 -5.431 -1.101 1.00 0.00 H new ATOM 0 H1' DG A 17 7.915 -7.421 -1.113 1.00 0.00 H new ATOM 0 H8 DG A 17 6.276 -6.438 -3.053 1.00 0.00 H new ATOM 0 H1 DG A 17 1.481 -6.535 1.197 1.00 0.00 H new ATOM 0 H21 DG A 17 4.000 -6.939 3.558 1.00 0.00 H new ATOM 0 H22 DG A 17 2.272 -6.779 3.227 1.00 0.00 H new ATOM 551 P DG A 18 10.782 -3.847 1.453 1.00 0.00 P ATOM 552 OP1 DG A 18 12.248 -3.985 1.297 1.00 0.00 O ATOM 553 OP2 DG A 18 10.215 -3.432 2.756 1.00 0.00 O ATOM 554 O5' DG A 18 10.245 -2.845 0.309 1.00 0.00 O ATOM 555 C5' DG A 18 10.678 -3.006 -1.047 1.00 0.00 C ATOM 556 C4' DG A 18 9.710 -2.366 -2.039 1.00 0.00 C ATOM 557 O4' DG A 18 8.437 -2.979 -1.930 1.00 0.00 O ATOM 558 C3' DG A 18 9.487 -0.888 -1.819 1.00 0.00 C ATOM 559 O3' DG A 18 10.462 -0.141 -2.546 1.00 0.00 O ATOM 560 C2' DG A 18 8.102 -0.655 -2.414 1.00 0.00 C ATOM 561 C1' DG A 18 7.464 -2.046 -2.427 1.00 0.00 C ATOM 562 N9 DG A 18 6.254 -2.144 -1.585 1.00 0.00 N ATOM 563 C8 DG A 18 6.146 -2.424 -0.254 1.00 0.00 C ATOM 564 N7 DG A 18 4.934 -2.408 0.218 1.00 0.00 N ATOM 565 C5 DG A 18 4.162 -2.089 -0.899 1.00 0.00 C ATOM 566 C6 DG A 18 2.753 -1.926 -1.019 1.00 0.00 C ATOM 567 O6 DG A 18 1.896 -2.030 -0.145 1.00 0.00 O ATOM 568 N1 DG A 18 2.386 -1.611 -2.322 1.00 0.00 N ATOM 569 C2 DG A 18 3.263 -1.468 -3.378 1.00 0.00 C ATOM 570 N2 DG A 18 2.725 -1.168 -4.559 1.00 0.00 N ATOM 571 N3 DG A 18 4.586 -1.619 -3.268 1.00 0.00 N ATOM 572 C4 DG A 18 4.964 -1.928 -2.007 1.00 0.00 C ATOM 0 H5' DG A 18 10.777 -4.068 -1.272 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.666 -2.561 -1.167 1.00 0.00 H new ATOM 0 H4' DG A 18 10.171 -2.508 -3.016 1.00 0.00 H new ATOM 0 H3' DG A 18 9.564 -0.586 -0.775 1.00 0.00 H new ATOM 0 H2' DG A 18 7.522 0.044 -1.812 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.165 -0.236 -3.418 1.00 0.00 H new ATOM 0 H1' DG A 18 7.159 -2.260 -3.451 1.00 0.00 H new ATOM 0 H8 DG A 18 7.005 -2.643 0.363 1.00 0.00 H new ATOM 0 H1 DG A 18 1.393 -1.475 -2.512 1.00 0.00 H new ATOM 0 H21 DG A 18 3.323 -1.050 -5.377 1.00 0.00 H new ATOM 0 H22 DG A 18 1.715 -1.056 -4.646 1.00 0.00 H new ATOM 584 P DG A 19 10.708 1.409 -2.205 1.00 0.00 P ATOM 585 OP1 DG A 19 11.957 1.839 -2.873 1.00 0.00 O ATOM 586 OP2 DG A 19 10.556 1.584 -0.742 1.00 0.00 O ATOM 587 O5' DG A 19 9.464 2.129 -2.938 1.00 0.00 O ATOM 588 C5' DG A 19 9.366 2.121 -4.367 1.00 0.00 C ATOM 589 C4' DG A 19 8.025 2.665 -4.858 1.00 0.00 C ATOM 590 O4' DG A 19 6.958 1.886 -4.338 1.00 0.00 O ATOM 591 C3' DG A 19 7.741 4.093 -4.446 1.00 0.00 C ATOM 592 O3' DG A 19 8.288 5.001 -5.406 1.00 0.00 O ATOM 593 C2' DG A 19 6.220 4.160 -4.479 1.00 0.00 C ATOM 594 C1' DG A 19 5.779 2.708 -4.294 1.00 0.00 C ATOM 595 N9 DG A 19 5.091 2.461 -3.012 1.00 0.00 N ATOM 596 C8 DG A 19 5.618 2.123 -1.800 1.00 0.00 C ATOM 597 N7 DG A 19 4.754 2.002 -0.835 1.00 0.00 N ATOM 598 C5 DG A 19 3.540 2.284 -1.459 1.00 0.00 C ATOM 599 C6 DG A 19 2.224 2.311 -0.921 1.00 0.00 C ATOM 600 O6 DG A 19 1.867 2.091 0.235 1.00 0.00 O ATOM 601 N1 DG A 19 1.285 2.636 -1.891 1.00 0.00 N ATOM 602 C2 DG A 19 1.572 2.903 -3.215 1.00 0.00 C ATOM 603 N2 DG A 19 0.535 3.191 -4.000 1.00 0.00 N ATOM 604 N3 DG A 19 2.807 2.880 -3.722 1.00 0.00 N ATOM 605 C4 DG A 19 3.737 2.564 -2.792 1.00 0.00 C ATOM 0 H5' DG A 19 9.499 1.103 -4.733 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.174 2.719 -4.788 1.00 0.00 H new ATOM 0 H4' DG A 19 8.095 2.621 -5.945 1.00 0.00 H new ATOM 0 H3' DG A 19 8.170 4.358 -3.480 1.00 0.00 H new ATOM 0 H2' DG A 19 5.832 4.799 -3.686 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.859 4.569 -5.423 1.00 0.00 H new ATOM 0 H1' DG A 19 5.069 2.475 -5.087 1.00 0.00 H new ATOM 0 H8 DG A 19 6.676 1.967 -1.652 1.00 0.00 H new ATOM 0 H1 DG A 19 0.307 2.681 -1.603 1.00 0.00 H new ATOM 0 H21 DG A 19 0.685 3.397 -4.988 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.409 3.205 -3.613 1.00 0.00 H new ATOM 617 P DT A 20 8.772 6.464 -4.941 1.00 0.00 P ATOM 618 OP1 DT A 20 9.326 7.173 -6.117 1.00 0.00 O ATOM 619 OP2 DT A 20 9.590 6.307 -3.719 1.00 0.00 O ATOM 620 O5' DT A 20 7.388 7.173 -4.530 1.00 0.00 O ATOM 621 C5' DT A 20 6.386 7.414 -5.519 1.00 0.00 C ATOM 622 C4' DT A 20 5.042 7.784 -4.894 1.00 0.00 C ATOM 623 O4' DT A 20 4.700 6.835 -3.864 1.00 0.00 O ATOM 624 C3' DT A 20 5.016 9.151 -4.225 1.00 0.00 C ATOM 625 O3' DT A 20 4.734 10.207 -5.153 1.00 0.00 O ATOM 626 C2' DT A 20 3.892 8.967 -3.219 1.00 0.00 C ATOM 627 C1' DT A 20 4.176 7.555 -2.738 1.00 0.00 C ATOM 628 N1 DT A 20 5.182 7.498 -1.668 1.00 0.00 N ATOM 629 C2 DT A 20 4.738 7.664 -0.372 1.00 0.00 C ATOM 630 O2 DT A 20 3.549 7.809 -0.101 1.00 0.00 O ATOM 631 N3 DT A 20 5.715 7.655 0.606 1.00 0.00 N ATOM 632 C4 DT A 20 7.074 7.494 0.399 1.00 0.00 C ATOM 633 O4 DT A 20 7.857 7.511 1.344 1.00 0.00 O ATOM 634 C5 DT A 20 7.440 7.323 -0.990 1.00 0.00 C ATOM 635 C7 DT A 20 8.907 7.145 -1.365 1.00 0.00 C ATOM 636 C6 DT A 20 6.505 7.328 -1.960 1.00 0.00 C ATOM 0 H5' DT A 20 6.266 6.524 -6.137 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.713 8.218 -6.178 1.00 0.00 H new ATOM 0 H4' DT A 20 4.341 7.787 -5.729 1.00 0.00 H new ATOM 0 H3' DT A 20 5.969 9.444 -3.785 1.00 0.00 H new ATOM 0 H2' DT A 20 3.936 9.697 -2.410 1.00 0.00 H new ATOM 0 H2'' DT A 20 2.907 9.058 -3.677 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.726 11.065 -4.680 1.00 0.00 H new ATOM 0 H1' DT A 20 3.252 7.138 -2.338 1.00 0.00 H new ATOM 0 H3 DT A 20 5.405 7.779 1.570 1.00 0.00 H new ATOM 0 H71 DT A 20 9.533 7.673 -0.646 1.00 0.00 H new ATOM 0 H72 DT A 20 9.159 6.085 -1.355 1.00 0.00 H new ATOM 0 H73 DT A 20 9.079 7.550 -2.362 1.00 0.00 H new ATOM 0 H6 DT A 20 6.808 7.195 -2.988 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.503 5.517 0.828 1.00 0.00 C HETATM 652 C2 BER A 101 -1.828 5.684 0.440 1.00 0.00 C HETATM 653 N1 BER A 101 -0.212 5.389 2.129 1.00 0.00 N HETATM 654 C3 BER A 101 0.499 5.490 -0.134 1.00 0.00 C HETATM 655 C4 BER A 101 -2.833 5.742 1.396 1.00 0.00 C HETATM 656 C5 BER A 101 -2.175 5.828 -0.896 1.00 0.00 C HETATM 657 C6 BER A 101 1.118 5.214 2.538 1.00 0.00 C HETATM 658 C7 BER A 101 -1.287 5.051 3.091 1.00 0.00 C HETATM 659 C8 BER A 101 1.823 5.313 0.246 1.00 0.00 C HETATM 660 C9 BER A 101 -4.135 5.943 0.956 1.00 0.00 C HETATM 661 C10 BER A 101 -2.509 5.905 2.738 1.00 0.00 C HETATM 662 C11 BER A 101 -3.442 6.018 -1.255 1.00 0.00 C HETATM 663 C12 BER A 101 2.135 5.161 1.591 1.00 0.00 C HETATM 664 C13 BER A 101 2.806 5.161 -0.726 1.00 0.00 C HETATM 665 C14 BER A 101 -4.410 6.066 -0.341 1.00 0.00 C HETATM 666 O1 BER A 101 -3.955 6.140 -2.507 1.00 0.00 O HETATM 667 C15 BER A 101 3.442 4.883 1.972 1.00 0.00 C HETATM 668 C16 BER A 101 4.114 4.882 -0.351 1.00 0.00 C HETATM 669 O2 BER A 101 -5.619 6.256 -0.932 1.00 0.00 O HETATM 670 C17 BER A 101 -5.312 6.560 -2.301 1.00 0.00 C HETATM 671 C18 BER A 101 4.425 4.755 0.996 1.00 0.00 C HETATM 672 O3 BER A 101 3.757 4.722 3.287 1.00 0.00 O HETATM 673 O4 BER A 101 5.703 4.583 1.431 1.00 0.00 O HETATM 674 C19 BER A 101 4.081 5.988 3.866 1.00 0.00 C HETATM 675 C20 BER A 101 6.585 4.518 0.308 1.00 0.00 C HETATM 0 H203 BER A 101 6.303 3.679 -0.328 1.00 0.00 H new HETATM 0 H202 BER A 101 6.517 5.445 -0.262 1.00 0.00 H new HETATM 0 H201 BER A 101 7.608 4.380 0.657 1.00 0.00 H new HETATM 0 H193 BER A 101 4.933 6.420 3.342 1.00 0.00 H new HETATM 0 H192 BER A 101 3.225 6.657 3.780 1.00 0.00 H new HETATM 0 H191 BER A 101 4.332 5.853 4.918 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.424 7.626 -2.498 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.989 6.038 -2.977 1.00 0.00 H new HETATM 0 H161 BER A 101 4.890 4.764 -1.108 1.00 0.00 H new HETATM 0 H131 BER A 101 2.550 5.261 -1.781 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.301 6.955 2.945 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.355 5.618 3.362 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.944 6.001 1.684 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.532 3.990 3.035 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.963 5.250 4.113 1.00 0.00 H new HETATM 0 H61 BER A 101 1.355 5.120 3.598 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.400 5.785 -1.661 1.00 0.00 H new HETATM 0 H31 BER A 101 0.246 5.608 -1.188 1.00 0.00 H new