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 16:sc= 0.435! USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.08! (180deg=-7.55!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.201 -4.105 -7.227 1.00 0.00 O ATOM 2 C5' DG A 1 3.289 -4.047 -8.651 1.00 0.00 C ATOM 3 C4' DG A 1 1.952 -3.657 -9.282 1.00 0.00 C ATOM 4 O4' DG A 1 0.943 -4.590 -8.895 1.00 0.00 O ATOM 5 C3' DG A 1 1.444 -2.288 -8.875 1.00 0.00 C ATOM 6 O3' DG A 1 1.966 -1.288 -9.756 1.00 0.00 O ATOM 7 C2' DG A 1 -0.061 -2.414 -9.067 1.00 0.00 C ATOM 8 C1' DG A 1 -0.317 -3.902 -8.822 1.00 0.00 C ATOM 9 N9 DG A 1 -0.916 -4.185 -7.505 1.00 0.00 N ATOM 10 C8 DG A 1 -2.222 -4.079 -7.117 1.00 0.00 C ATOM 11 N7 DG A 1 -2.455 -4.371 -5.873 1.00 0.00 N ATOM 12 C5 DG A 1 -1.194 -4.703 -5.382 1.00 0.00 C ATOM 13 C6 DG A 1 -0.803 -5.110 -4.077 1.00 0.00 C ATOM 14 O6 DG A 1 -1.509 -5.256 -3.080 1.00 0.00 O ATOM 15 N1 DG A 1 0.563 -5.350 -4.005 1.00 0.00 N ATOM 16 C2 DG A 1 1.447 -5.216 -5.055 1.00 0.00 C ATOM 17 N2 DG A 1 2.722 -5.496 -4.788 1.00 0.00 N ATOM 18 N3 DG A 1 1.085 -4.830 -6.284 1.00 0.00 N ATOM 19 C4 DG A 1 -0.244 -4.592 -6.375 1.00 0.00 C ATOM 0 H5' DG A 1 3.605 -5.016 -9.036 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.053 -3.325 -8.940 1.00 0.00 H new ATOM 0 H4' DG A 1 2.141 -3.651 -10.356 1.00 0.00 H new ATOM 0 H3' DG A 1 1.733 -2.001 -7.864 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.611 -1.789 -8.364 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.367 -2.112 -10.069 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.259 -4.140 -6.959 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.025 -4.238 -9.580 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.004 -3.774 -7.796 1.00 0.00 H new ATOM 0 H1 DG A 1 0.942 -5.648 -3.106 1.00 0.00 H new ATOM 0 H21 DG A 1 3.426 -5.417 -5.522 1.00 0.00 H new ATOM 0 H22 DG A 1 2.994 -5.790 -3.850 1.00 0.00 H new ATOM 32 P DG A 2 2.216 0.210 -9.220 1.00 0.00 P ATOM 33 OP1 DG A 2 2.776 1.014 -10.329 1.00 0.00 O ATOM 34 OP2 DG A 2 2.940 0.122 -7.933 1.00 0.00 O ATOM 35 O5' DG A 2 0.719 0.729 -8.923 1.00 0.00 O ATOM 36 C5' DG A 2 -0.213 0.902 -9.995 1.00 0.00 C ATOM 37 C4' DG A 2 -1.647 1.041 -9.485 1.00 0.00 C ATOM 38 O4' DG A 2 -2.044 -0.140 -8.790 1.00 0.00 O ATOM 39 C3' DG A 2 -1.856 2.202 -8.522 1.00 0.00 C ATOM 40 O3' DG A 2 -2.200 3.389 -9.239 1.00 0.00 O ATOM 41 C2' DG A 2 -3.037 1.734 -7.693 1.00 0.00 C ATOM 42 C1' DG A 2 -2.761 0.236 -7.603 1.00 0.00 C ATOM 43 N9 DG A 2 -1.934 -0.144 -6.442 1.00 0.00 N ATOM 44 C8 DG A 2 -0.572 -0.213 -6.339 1.00 0.00 C ATOM 45 N7 DG A 2 -0.122 -0.549 -5.167 1.00 0.00 N ATOM 46 C5 DG A 2 -1.286 -0.722 -4.417 1.00 0.00 C ATOM 47 C6 DG A 2 -1.445 -1.094 -3.053 1.00 0.00 C ATOM 48 O6 DG A 2 -0.572 -1.339 -2.223 1.00 0.00 O ATOM 49 N1 DG A 2 -2.785 -1.157 -2.694 1.00 0.00 N ATOM 50 C2 DG A 2 -3.845 -0.895 -3.539 1.00 0.00 C ATOM 51 N2 DG A 2 -5.063 -1.011 -3.013 1.00 0.00 N ATOM 52 N3 DG A 2 -3.699 -0.545 -4.821 1.00 0.00 N ATOM 53 C4 DG A 2 -2.399 -0.478 -5.190 1.00 0.00 C ATOM 0 H5' DG A 2 -0.149 0.051 -10.673 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.055 1.788 -10.570 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.243 1.219 -10.380 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.971 2.443 -7.933 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.064 2.207 -6.711 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.990 1.949 -8.177 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.721 -0.269 -7.496 1.00 0.00 H new ATOM 0 H8 DG A 2 0.083 -0.003 -7.172 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.003 -1.417 -1.732 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.886 -0.830 -3.588 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.173 -1.281 -2.035 1.00 0.00 H new ATOM 65 P DG A 3 -2.094 4.822 -8.516 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.097 5.869 -9.562 1.00 0.00 O ATOM 67 OP2 DG A 3 -0.989 4.762 -7.533 1.00 0.00 O ATOM 68 O5' DG A 3 -3.485 4.907 -7.712 1.00 0.00 O ATOM 69 C5' DG A 3 -4.730 4.842 -8.413 1.00 0.00 C ATOM 70 C4' DG A 3 -5.918 5.000 -7.470 1.00 0.00 C ATOM 71 O4' DG A 3 -5.810 4.020 -6.425 1.00 0.00 O ATOM 72 C3' DG A 3 -6.008 6.377 -6.818 1.00 0.00 C ATOM 73 O3' DG A 3 -7.335 6.884 -6.989 1.00 0.00 O ATOM 74 C2' DG A 3 -5.729 6.163 -5.337 1.00 0.00 C ATOM 75 C1' DG A 3 -5.735 4.650 -5.143 1.00 0.00 C ATOM 76 N9 DG A 3 -4.528 4.138 -4.466 1.00 0.00 N ATOM 77 C8 DG A 3 -3.252 4.030 -4.943 1.00 0.00 C ATOM 78 N7 DG A 3 -2.387 3.545 -4.105 1.00 0.00 N ATOM 79 C5 DG A 3 -3.150 3.306 -2.964 1.00 0.00 C ATOM 80 C6 DG A 3 -2.759 2.775 -1.705 1.00 0.00 C ATOM 81 O6 DG A 3 -1.643 2.408 -1.345 1.00 0.00 O ATOM 82 N1 DG A 3 -3.835 2.697 -0.830 1.00 0.00 N ATOM 83 C2 DG A 3 -5.127 3.079 -1.126 1.00 0.00 C ATOM 84 N2 DG A 3 -6.026 2.924 -0.155 1.00 0.00 N ATOM 85 N3 DG A 3 -5.497 3.579 -2.309 1.00 0.00 N ATOM 86 C4 DG A 3 -4.462 3.664 -3.176 1.00 0.00 C ATOM 0 H5' DG A 3 -4.804 3.888 -8.935 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.761 5.624 -9.172 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.815 4.869 -8.075 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.304 7.084 -7.256 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.769 6.593 -5.051 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.489 6.642 -4.720 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.594 4.422 -4.512 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.982 4.327 -5.946 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.656 2.329 0.104 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.998 3.188 -0.313 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.742 2.541 0.747 1.00 0.00 H new ATOM 98 P DG A 4 -7.645 7.993 -8.113 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.467 8.881 -8.225 1.00 0.00 O ATOM 100 OP2 DG A 4 -8.981 8.570 -7.837 1.00 0.00 O ATOM 101 O5' DG A 4 -7.745 7.113 -9.457 1.00 0.00 O ATOM 102 C5' DG A 4 -9.020 6.726 -9.975 1.00 0.00 C ATOM 103 C4' DG A 4 -8.898 6.115 -11.369 1.00 0.00 C ATOM 104 O4' DG A 4 -8.343 7.078 -12.263 1.00 0.00 O ATOM 105 C3' DG A 4 -8.004 4.884 -11.420 1.00 0.00 C ATOM 106 O3' DG A 4 -8.511 3.967 -12.396 1.00 0.00 O ATOM 107 C2' DG A 4 -6.650 5.419 -11.869 1.00 0.00 C ATOM 108 C1' DG A 4 -6.982 6.739 -12.562 1.00 0.00 C ATOM 109 N9 DG A 4 -6.139 7.868 -12.125 1.00 0.00 N ATOM 110 C8 DG A 4 -5.674 8.162 -10.875 1.00 0.00 C ATOM 111 N7 DG A 4 -4.948 9.235 -10.795 1.00 0.00 N ATOM 112 C5 DG A 4 -4.924 9.703 -12.108 1.00 0.00 C ATOM 113 C6 DG A 4 -4.286 10.848 -12.654 1.00 0.00 C ATOM 114 O6 DG A 4 -3.605 11.691 -12.074 1.00 0.00 O ATOM 115 N1 DG A 4 -4.514 10.954 -14.020 1.00 0.00 N ATOM 116 C2 DG A 4 -5.260 10.069 -14.770 1.00 0.00 C ATOM 117 N2 DG A 4 -5.366 10.338 -16.072 1.00 0.00 N ATOM 118 N3 DG A 4 -5.860 8.990 -14.260 1.00 0.00 N ATOM 119 C4 DG A 4 -5.651 8.870 -12.928 1.00 0.00 C ATOM 0 H5' DG A 4 -9.677 7.595 -10.014 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.484 6.006 -9.301 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.907 5.815 -11.653 1.00 0.00 H new ATOM 0 H3' DG A 4 -7.951 4.359 -10.466 1.00 0.00 H new ATOM 0 H2' DG A 4 -5.981 5.571 -11.022 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.153 4.726 -12.548 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.804 6.586 -13.626 1.00 0.00 H new ATOM 0 H8 DG A 4 -5.894 7.546 -10.015 1.00 0.00 H new ATOM 0 H1 DG A 4 -4.097 11.748 -14.506 1.00 0.00 H new ATOM 0 H21 DG A 4 -5.905 9.720 -16.678 1.00 0.00 H new ATOM 0 H22 DG A 4 -4.908 11.162 -16.461 1.00 0.00 H new ATOM 131 P DC A 5 -9.532 2.797 -11.966 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.069 2.177 -13.198 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.459 3.344 -10.951 1.00 0.00 O ATOM 134 O5' DC A 5 -8.565 1.730 -11.243 1.00 0.00 O ATOM 135 C5' DC A 5 -7.471 1.147 -11.955 1.00 0.00 C ATOM 136 C4' DC A 5 -6.781 0.051 -11.139 1.00 0.00 C ATOM 137 O4' DC A 5 -6.290 0.542 -9.902 1.00 0.00 O ATOM 138 C3' DC A 5 -7.689 -1.128 -10.783 1.00 0.00 C ATOM 139 O3' DC A 5 -7.502 -2.164 -11.756 1.00 0.00 O ATOM 140 C2' DC A 5 -7.207 -1.614 -9.428 1.00 0.00 C ATOM 141 C1' DC A 5 -6.165 -0.584 -9.028 1.00 0.00 C ATOM 142 N1 DC A 5 -6.296 -0.105 -7.637 1.00 0.00 N ATOM 143 C2 DC A 5 -5.961 -0.993 -6.627 1.00 0.00 C ATOM 144 O2 DC A 5 -5.584 -2.129 -6.909 1.00 0.00 O ATOM 145 N3 DC A 5 -6.045 -0.567 -5.337 1.00 0.00 N ATOM 146 C4 DC A 5 -6.440 0.680 -5.047 1.00 0.00 C ATOM 147 N4 DC A 5 -6.508 1.066 -3.770 1.00 0.00 N ATOM 148 C5 DC A 5 -6.788 1.602 -6.087 1.00 0.00 C ATOM 149 C6 DC A 5 -6.702 1.169 -7.361 1.00 0.00 C ATOM 0 H5' DC A 5 -6.747 1.922 -12.208 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.831 0.728 -12.895 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.979 -0.284 -11.796 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.743 -0.852 -10.764 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.022 -1.661 -8.706 1.00 0.00 H new ATOM 0 H2'' DC A 5 -6.778 -2.614 -9.490 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.193 -1.072 -9.104 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.808 2.013 -3.539 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.260 0.413 -3.026 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.108 2.608 -5.859 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.957 1.836 -8.171 1.00 0.00 H new ATOM 161 P DG A 6 -8.666 -3.240 -12.051 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.231 -4.094 -13.178 1.00 0.00 O ATOM 163 OP2 DG A 6 -9.954 -2.514 -12.134 1.00 0.00 O ATOM 164 O5' DG A 6 -8.675 -4.140 -10.711 1.00 0.00 O ATOM 165 C5' DG A 6 -9.825 -4.926 -10.374 1.00 0.00 C ATOM 166 C4' DG A 6 -9.687 -5.606 -9.011 1.00 0.00 C ATOM 167 O4' DG A 6 -8.600 -6.522 -8.999 1.00 0.00 O ATOM 168 C3' DG A 6 -9.426 -4.661 -7.853 1.00 0.00 C ATOM 169 O3' DG A 6 -10.664 -4.145 -7.359 1.00 0.00 O ATOM 170 C2' DG A 6 -8.792 -5.569 -6.806 1.00 0.00 C ATOM 171 C1' DG A 6 -8.176 -6.695 -7.639 1.00 0.00 C ATOM 172 N9 DG A 6 -6.707 -6.697 -7.614 1.00 0.00 N ATOM 173 C8 DG A 6 -5.831 -6.065 -8.448 1.00 0.00 C ATOM 174 N7 DG A 6 -4.576 -6.236 -8.159 1.00 0.00 N ATOM 175 C5 DG A 6 -4.618 -7.055 -7.031 1.00 0.00 C ATOM 176 C6 DG A 6 -3.557 -7.585 -6.252 1.00 0.00 C ATOM 177 O6 DG A 6 -2.348 -7.431 -6.406 1.00 0.00 O ATOM 178 N1 DG A 6 -4.032 -8.359 -5.202 1.00 0.00 N ATOM 179 C2 DG A 6 -5.363 -8.597 -4.931 1.00 0.00 C ATOM 180 N2 DG A 6 -5.621 -9.367 -3.874 1.00 0.00 N ATOM 181 N3 DG A 6 -6.366 -8.100 -5.662 1.00 0.00 N ATOM 182 C4 DG A 6 -5.920 -7.342 -6.692 1.00 0.00 C ATOM 0 H5' DG A 6 -9.981 -5.684 -11.141 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.709 -4.289 -10.371 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.654 -6.089 -8.874 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.806 -3.806 -8.122 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.037 -5.043 -6.222 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.533 -5.949 -6.102 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.510 -7.641 -7.212 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.157 -5.467 -9.286 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.343 -8.785 -4.583 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.586 -9.580 -3.622 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.853 -9.743 -3.318 1.00 0.00 H new ATOM 194 P DG A 7 -10.709 -2.750 -6.553 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.103 -2.253 -6.578 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.609 -1.891 -7.047 1.00 0.00 O ATOM 197 O5' DG A 7 -10.360 -3.202 -5.046 1.00 0.00 O ATOM 198 C5' DG A 7 -11.228 -4.101 -4.356 1.00 0.00 C ATOM 199 C4' DG A 7 -10.846 -4.279 -2.885 1.00 0.00 C ATOM 200 O4' DG A 7 -9.546 -4.865 -2.696 1.00 0.00 O ATOM 201 C3' DG A 7 -10.795 -2.985 -2.062 1.00 0.00 C ATOM 202 O3' DG A 7 -12.106 -2.653 -1.589 1.00 0.00 O ATOM 203 C2' DG A 7 -9.907 -3.392 -0.877 1.00 0.00 C ATOM 204 C1' DG A 7 -9.399 -4.766 -1.287 1.00 0.00 C ATOM 205 N9 DG A 7 -7.996 -5.054 -0.898 1.00 0.00 N ATOM 206 C8 DG A 7 -7.541 -5.424 0.334 1.00 0.00 C ATOM 207 N7 DG A 7 -6.260 -5.588 0.430 1.00 0.00 N ATOM 208 C5 DG A 7 -5.800 -5.305 -0.851 1.00 0.00 C ATOM 209 C6 DG A 7 -4.470 -5.320 -1.350 1.00 0.00 C ATOM 210 O6 DG A 7 -3.433 -5.579 -0.743 1.00 0.00 O ATOM 211 N1 DG A 7 -4.425 -4.980 -2.690 1.00 0.00 N ATOM 212 C2 DG A 7 -5.524 -4.664 -3.465 1.00 0.00 C ATOM 213 N2 DG A 7 -5.273 -4.367 -4.739 1.00 0.00 N ATOM 214 N3 DG A 7 -6.786 -4.646 -2.999 1.00 0.00 N ATOM 215 C4 DG A 7 -6.851 -4.976 -1.685 1.00 0.00 C ATOM 0 H5' DG A 7 -11.208 -5.071 -4.852 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.252 -3.732 -4.419 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.652 -4.927 -2.541 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.431 -2.122 -2.619 1.00 0.00 H new ATOM 0 H2' DG A 7 -9.089 -2.688 -0.725 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.471 -3.432 0.055 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.989 -5.509 -0.752 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.205 -5.570 1.173 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.510 -4.961 -3.141 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.040 -4.124 -5.367 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.314 -4.382 -5.087 1.00 0.00 H new ATOM 227 P DG A 8 -12.482 -1.143 -1.177 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.914 -1.114 -0.807 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.973 -0.238 -2.229 1.00 0.00 O ATOM 230 O5' DG A 8 -11.610 -0.913 0.158 1.00 0.00 O ATOM 231 C5' DG A 8 -11.875 -1.685 1.332 1.00 0.00 C ATOM 232 C4' DG A 8 -10.672 -1.734 2.268 1.00 0.00 C ATOM 233 O4' DG A 8 -9.492 -2.175 1.587 1.00 0.00 O ATOM 234 C3' DG A 8 -10.292 -0.389 2.871 1.00 0.00 C ATOM 235 O3' DG A 8 -10.983 -0.199 4.108 1.00 0.00 O ATOM 236 C2' DG A 8 -8.794 -0.518 3.138 1.00 0.00 C ATOM 237 C1' DG A 8 -8.400 -1.821 2.435 1.00 0.00 C ATOM 238 N9 DG A 8 -7.185 -1.724 1.605 1.00 0.00 N ATOM 239 C8 DG A 8 -7.055 -1.336 0.302 1.00 0.00 C ATOM 240 N7 DG A 8 -5.837 -1.341 -0.156 1.00 0.00 N ATOM 241 C5 DG A 8 -5.088 -1.772 0.938 1.00 0.00 C ATOM 242 C6 DG A 8 -3.685 -1.981 1.060 1.00 0.00 C ATOM 243 O6 DG A 8 -2.812 -1.818 0.209 1.00 0.00 O ATOM 244 N1 DG A 8 -3.345 -2.420 2.334 1.00 0.00 N ATOM 245 C2 DG A 8 -4.238 -2.634 3.364 1.00 0.00 C ATOM 246 N2 DG A 8 -3.723 -3.063 4.516 1.00 0.00 N ATOM 247 N3 DG A 8 -5.554 -2.437 3.253 1.00 0.00 N ATOM 248 C4 DG A 8 -5.907 -2.009 2.020 1.00 0.00 C ATOM 0 H5' DG A 8 -12.152 -2.699 1.044 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.728 -1.260 1.860 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.994 -2.421 3.051 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.541 0.451 2.223 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.243 0.333 2.738 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.582 -0.561 4.206 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.181 -2.559 3.206 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.901 -1.046 -0.304 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.358 -2.598 2.522 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.334 -3.239 5.314 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.718 -3.215 4.600 1.00 0.00 H new ATOM 260 P DG A 9 -10.898 1.215 4.872 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.967 1.255 5.895 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.815 2.283 3.851 1.00 0.00 O ATOM 263 O5' DG A 9 -9.477 1.126 5.627 1.00 0.00 O ATOM 264 C5' DG A 9 -9.205 0.063 6.546 1.00 0.00 C ATOM 265 C4' DG A 9 -7.717 -0.019 6.898 1.00 0.00 C ATOM 266 O4' DG A 9 -6.924 0.017 5.688 1.00 0.00 O ATOM 267 C3' DG A 9 -7.209 1.147 7.765 1.00 0.00 C ATOM 268 O3' DG A 9 -6.255 0.662 8.721 1.00 0.00 O ATOM 269 C2' DG A 9 -6.479 2.016 6.762 1.00 0.00 C ATOM 270 C1' DG A 9 -5.853 0.919 5.940 1.00 0.00 C ATOM 271 N9 DG A 9 -5.241 1.331 4.667 1.00 0.00 N ATOM 272 C8 DG A 9 -5.814 1.806 3.524 1.00 0.00 C ATOM 273 N7 DG A 9 -4.976 2.092 2.569 1.00 0.00 N ATOM 274 C5 DG A 9 -3.737 1.776 3.129 1.00 0.00 C ATOM 275 C6 DG A 9 -2.428 1.872 2.579 1.00 0.00 C ATOM 276 O6 DG A 9 -2.095 2.267 1.464 1.00 0.00 O ATOM 277 N1 DG A 9 -1.462 1.448 3.486 1.00 0.00 N ATOM 278 C2 DG A 9 -1.720 0.989 4.762 1.00 0.00 C ATOM 279 N2 DG A 9 -0.666 0.620 5.489 1.00 0.00 N ATOM 280 N3 DG A 9 -2.944 0.901 5.278 1.00 0.00 N ATOM 281 C4 DG A 9 -3.897 1.310 4.411 1.00 0.00 C ATOM 0 H5' DG A 9 -9.528 -0.883 6.113 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.786 0.212 7.456 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.613 -0.949 7.457 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.005 1.655 8.310 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.150 2.650 6.182 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.742 2.672 7.226 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.013 0.501 6.495 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.881 1.935 3.419 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.488 1.479 3.185 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.798 0.273 6.439 1.00 0.00 H new ATOM 0 H22 DG A 9 0.273 0.685 5.095 1.00 0.00 H new ATOM 293 P DC A 10 -6.715 0.019 10.120 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.966 0.681 10.548 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.542 -0.001 11.025 1.00 0.00 O ATOM 296 O5' DC A 10 -7.054 -1.498 9.709 1.00 0.00 O ATOM 297 C5' DC A 10 -6.001 -2.436 9.471 1.00 0.00 C ATOM 298 C4' DC A 10 -6.541 -3.852 9.312 1.00 0.00 C ATOM 299 O4' DC A 10 -7.155 -4.265 10.536 1.00 0.00 O ATOM 300 C3' DC A 10 -7.589 -3.980 8.218 1.00 0.00 C ATOM 301 O3' DC A 10 -7.525 -5.287 7.643 1.00 0.00 O ATOM 302 C2' DC A 10 -8.902 -3.808 8.962 1.00 0.00 C ATOM 303 C1' DC A 10 -8.579 -4.312 10.368 1.00 0.00 C ATOM 304 N1 DC A 10 -9.177 -3.509 11.453 1.00 0.00 N ATOM 305 C2 DC A 10 -10.453 -3.853 11.872 1.00 0.00 C ATOM 306 O2 DC A 10 -11.047 -4.785 11.334 1.00 0.00 O ATOM 307 N3 DC A 10 -11.016 -3.135 12.883 1.00 0.00 N ATOM 308 C4 DC A 10 -10.355 -2.124 13.461 1.00 0.00 C ATOM 309 N4 DC A 10 -10.935 -1.445 14.451 1.00 0.00 N ATOM 310 C5 DC A 10 -9.038 -1.765 13.031 1.00 0.00 C ATOM 311 C6 DC A 10 -8.490 -2.481 12.029 1.00 0.00 C ATOM 0 H5' DC A 10 -5.292 -2.406 10.298 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.454 -2.151 8.572 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.687 -4.474 9.043 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.458 -3.261 7.409 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.225 -2.767 8.972 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.704 -4.386 8.502 1.00 0.00 H new ATOM 0 H1' DC A 10 -8.996 -5.316 10.443 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.440 -0.673 14.898 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.873 -1.697 14.761 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.502 -0.949 13.493 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.498 -2.238 11.679 1.00 0.00 H new ATOM 323 P DG A 11 -6.669 -5.544 6.304 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.511 -4.254 5.598 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.252 -6.707 5.597 1.00 0.00 O ATOM 326 O5' DG A 11 -5.230 -5.976 6.883 1.00 0.00 O ATOM 327 C5' DG A 11 -5.106 -7.149 7.687 1.00 0.00 C ATOM 328 C4' DG A 11 -3.647 -7.543 7.908 1.00 0.00 C ATOM 329 O4' DG A 11 -3.055 -8.035 6.698 1.00 0.00 O ATOM 330 C3' DG A 11 -2.753 -6.410 8.386 1.00 0.00 C ATOM 331 O3' DG A 11 -2.735 -6.385 9.818 1.00 0.00 O ATOM 332 C2' DG A 11 -1.369 -6.783 7.860 1.00 0.00 C ATOM 333 C1' DG A 11 -1.640 -7.885 6.828 1.00 0.00 C ATOM 334 N9 DG A 11 -1.078 -7.596 5.495 1.00 0.00 N ATOM 335 C8 DG A 11 0.214 -7.713 5.076 1.00 0.00 C ATOM 336 N7 DG A 11 0.431 -7.376 3.842 1.00 0.00 N ATOM 337 C5 DG A 11 -0.832 -6.996 3.390 1.00 0.00 C ATOM 338 C6 DG A 11 -1.234 -6.528 2.111 1.00 0.00 C ATOM 339 O6 DG A 11 -0.542 -6.352 1.111 1.00 0.00 O ATOM 340 N1 DG A 11 -2.594 -6.255 2.074 1.00 0.00 N ATOM 341 C2 DG A 11 -3.464 -6.415 3.132 1.00 0.00 C ATOM 342 N2 DG A 11 -4.737 -6.096 2.901 1.00 0.00 N ATOM 343 N3 DG A 11 -3.090 -6.858 4.339 1.00 0.00 N ATOM 344 C4 DG A 11 -1.765 -7.128 4.396 1.00 0.00 C ATOM 0 H5' DG A 11 -5.635 -7.973 7.209 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.585 -6.979 8.651 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.700 -8.305 8.686 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.086 -5.431 8.043 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.872 -5.926 7.406 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.722 -7.139 8.661 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.155 -8.792 7.189 1.00 0.00 H new ATOM 0 H8 DG A 11 1.002 -8.062 5.726 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.980 -5.909 1.196 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.430 -6.192 3.643 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.019 -5.755 1.982 1.00 0.00 H new ATOM 356 P DG A 12 -2.616 -4.986 10.606 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.635 -5.269 12.060 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.598 -4.048 10.022 1.00 0.00 O ATOM 359 O5' DG A 12 -1.137 -4.486 10.210 1.00 0.00 O ATOM 360 C5' DG A 12 0.011 -5.227 10.628 1.00 0.00 C ATOM 361 C4' DG A 12 1.235 -4.901 9.775 1.00 0.00 C ATOM 362 O4' DG A 12 0.969 -5.149 8.403 1.00 0.00 O ATOM 363 C3' DG A 12 1.678 -3.446 9.852 1.00 0.00 C ATOM 364 O3' DG A 12 2.655 -3.303 10.885 1.00 0.00 O ATOM 365 C2' DG A 12 2.315 -3.167 8.495 1.00 0.00 C ATOM 366 C1' DG A 12 1.789 -4.293 7.599 1.00 0.00 C ATOM 367 N9 DG A 12 0.970 -3.826 6.464 1.00 0.00 N ATOM 368 C8 DG A 12 -0.374 -3.592 6.410 1.00 0.00 C ATOM 369 N7 DG A 12 -0.816 -3.177 5.261 1.00 0.00 N ATOM 370 C5 DG A 12 0.335 -3.129 4.476 1.00 0.00 C ATOM 371 C6 DG A 12 0.493 -2.747 3.117 1.00 0.00 C ATOM 372 O6 DG A 12 -0.366 -2.363 2.327 1.00 0.00 O ATOM 373 N1 DG A 12 1.819 -2.843 2.713 1.00 0.00 N ATOM 374 C2 DG A 12 2.864 -3.254 3.514 1.00 0.00 C ATOM 375 N2 DG A 12 4.069 -3.285 2.945 1.00 0.00 N ATOM 376 N3 DG A 12 2.718 -3.612 4.793 1.00 0.00 N ATOM 377 C4 DG A 12 1.433 -3.526 5.206 1.00 0.00 C ATOM 0 H5' DG A 12 -0.202 -6.294 10.566 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.226 -5.005 11.673 1.00 0.00 H new ATOM 0 H4' DG A 12 2.021 -5.540 10.178 1.00 0.00 H new ATOM 0 H3' DG A 12 0.856 -2.764 10.073 1.00 0.00 H new ATOM 0 H2' DG A 12 2.028 -2.187 8.114 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.403 -3.180 8.555 1.00 0.00 H new ATOM 0 H1' DG A 12 2.660 -4.797 7.180 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.023 -3.741 7.261 1.00 0.00 H new ATOM 0 H1 DG A 12 2.037 -2.590 1.749 1.00 0.00 H new ATOM 0 H21 DG A 12 4.881 -3.580 3.487 1.00 0.00 H new ATOM 0 H22 DG A 12 4.179 -3.013 1.968 1.00 0.00 H new ATOM 389 P DG A 13 3.057 -1.842 11.427 1.00 0.00 P ATOM 390 OP1 DG A 13 3.799 -2.007 12.697 1.00 0.00 O ATOM 391 OP2 DG A 13 1.852 -0.983 11.382 1.00 0.00 O ATOM 392 O5' DG A 13 4.088 -1.326 10.302 1.00 0.00 O ATOM 393 C5' DG A 13 5.304 -2.039 10.060 1.00 0.00 C ATOM 394 C4' DG A 13 6.019 -1.544 8.805 1.00 0.00 C ATOM 395 O4' DG A 13 5.173 -1.643 7.677 1.00 0.00 O ATOM 396 C3' DG A 13 6.460 -0.089 8.867 1.00 0.00 C ATOM 397 O3' DG A 13 7.807 -0.021 9.342 1.00 0.00 O ATOM 398 C2' DG A 13 6.402 0.386 7.416 1.00 0.00 C ATOM 399 C1' DG A 13 5.579 -0.686 6.697 1.00 0.00 C ATOM 400 N9 DG A 13 4.367 -0.173 6.031 1.00 0.00 N ATOM 401 C8 DG A 13 3.115 0.014 6.541 1.00 0.00 C ATOM 402 N7 DG A 13 2.243 0.492 5.703 1.00 0.00 N ATOM 403 C5 DG A 13 2.979 0.638 4.528 1.00 0.00 C ATOM 404 C6 DG A 13 2.575 1.119 3.252 1.00 0.00 C ATOM 405 O6 DG A 13 1.467 1.524 2.906 1.00 0.00 O ATOM 406 N1 DG A 13 3.628 1.100 2.345 1.00 0.00 N ATOM 407 C2 DG A 13 4.908 0.673 2.626 1.00 0.00 C ATOM 408 N2 DG A 13 5.782 0.724 1.622 1.00 0.00 N ATOM 409 N3 DG A 13 5.291 0.222 3.823 1.00 0.00 N ATOM 410 C4 DG A 13 4.280 0.232 4.722 1.00 0.00 C ATOM 0 H5' DG A 13 5.086 -3.102 9.957 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.965 -1.931 10.920 1.00 0.00 H new ATOM 0 H4' DG A 13 6.900 -2.181 8.732 1.00 0.00 H new ATOM 0 H3' DG A 13 5.840 0.514 9.531 1.00 0.00 H new ATOM 0 H2' DG A 13 5.933 1.367 7.337 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.400 0.475 6.987 1.00 0.00 H new ATOM 0 H1' DG A 13 6.211 -1.106 5.914 1.00 0.00 H new ATOM 0 H8 DG A 13 2.866 -0.218 7.566 1.00 0.00 H new ATOM 0 H1 DG A 13 3.439 1.428 1.398 1.00 0.00 H new ATOM 0 H21 DG A 13 6.745 0.421 1.768 1.00 0.00 H new ATOM 0 H22 DG A 13 5.488 1.066 0.707 1.00 0.00 H new ATOM 422 P DG A 14 8.318 1.273 10.148 1.00 0.00 P ATOM 423 OP1 DG A 14 9.657 0.975 10.703 1.00 0.00 O ATOM 424 OP2 DG A 14 7.229 1.717 11.047 1.00 0.00 O ATOM 425 O5' DG A 14 8.491 2.370 8.980 1.00 0.00 O ATOM 426 C5' DG A 14 9.386 2.135 7.887 1.00 0.00 C ATOM 427 C4' DG A 14 8.971 2.909 6.639 1.00 0.00 C ATOM 428 O4' DG A 14 7.571 2.689 6.416 1.00 0.00 O ATOM 429 C3' DG A 14 9.201 4.414 6.747 1.00 0.00 C ATOM 430 O3' DG A 14 10.217 4.801 5.817 1.00 0.00 O ATOM 431 C2' DG A 14 7.879 5.057 6.342 1.00 0.00 C ATOM 432 C1' DG A 14 6.862 3.929 6.423 1.00 0.00 C ATOM 433 N9 DG A 14 6.030 3.953 7.635 1.00 0.00 N ATOM 434 C8 DG A 14 6.393 3.752 8.935 1.00 0.00 C ATOM 435 N7 DG A 14 5.425 3.832 9.797 1.00 0.00 N ATOM 436 C5 DG A 14 4.315 4.110 9.004 1.00 0.00 C ATOM 437 C6 DG A 14 2.958 4.307 9.374 1.00 0.00 C ATOM 438 O6 DG A 14 2.463 4.282 10.499 1.00 0.00 O ATOM 439 N1 DG A 14 2.160 4.559 8.266 1.00 0.00 N ATOM 440 C2 DG A 14 2.609 4.614 6.962 1.00 0.00 C ATOM 441 N2 DG A 14 1.690 4.861 6.029 1.00 0.00 N ATOM 442 N3 DG A 14 3.885 4.431 6.611 1.00 0.00 N ATOM 443 C4 DG A 14 4.678 4.183 7.678 1.00 0.00 C ATOM 0 H5' DG A 14 9.413 1.069 7.662 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.396 2.425 8.176 1.00 0.00 H new ATOM 0 H4' DG A 14 9.590 2.545 5.819 1.00 0.00 H new ATOM 0 H3' DG A 14 9.513 4.712 7.748 1.00 0.00 H new ATOM 0 H2' DG A 14 7.616 5.877 7.011 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.932 5.471 5.335 1.00 0.00 H new ATOM 0 H1' DG A 14 6.195 4.052 5.570 1.00 0.00 H new ATOM 0 H8 DG A 14 7.412 3.542 9.226 1.00 0.00 H new ATOM 0 H1 DG A 14 1.165 4.716 8.428 1.00 0.00 H new ATOM 0 H21 DG A 14 1.961 4.914 5.047 1.00 0.00 H new ATOM 0 H22 DG A 14 0.715 4.997 6.297 1.00 0.00 H new ATOM 455 P DC A 15 11.745 4.982 6.291 1.00 0.00 P ATOM 456 OP1 DC A 15 11.746 5.404 7.709 1.00 0.00 O ATOM 457 OP2 DC A 15 12.449 5.799 5.278 1.00 0.00 O ATOM 458 O5' DC A 15 12.316 3.480 6.212 1.00 0.00 O ATOM 459 C5' DC A 15 12.883 2.991 4.993 1.00 0.00 C ATOM 460 C4' DC A 15 13.596 1.659 5.203 1.00 0.00 C ATOM 461 O4' DC A 15 14.660 1.835 6.142 1.00 0.00 O ATOM 462 C3' DC A 15 12.695 0.557 5.744 1.00 0.00 C ATOM 463 O3' DC A 15 13.141 -0.710 5.254 1.00 0.00 O ATOM 464 C2' DC A 15 12.917 0.627 7.243 1.00 0.00 C ATOM 465 C1' DC A 15 14.349 1.136 7.355 1.00 0.00 C ATOM 466 N1 DC A 15 14.574 2.064 8.479 1.00 0.00 N ATOM 467 C2 DC A 15 14.909 1.508 9.702 1.00 0.00 C ATOM 468 O2 DC A 15 14.998 0.288 9.819 1.00 0.00 O ATOM 469 N3 DC A 15 15.130 2.343 10.753 1.00 0.00 N ATOM 470 C4 DC A 15 15.026 3.670 10.611 1.00 0.00 C ATOM 471 N4 DC A 15 15.251 4.458 11.662 1.00 0.00 N ATOM 472 C5 DC A 15 14.680 4.251 9.350 1.00 0.00 C ATOM 473 C6 DC A 15 14.463 3.415 8.314 1.00 0.00 C ATOM 0 H5' DC A 15 13.587 3.724 4.598 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.097 2.871 4.247 1.00 0.00 H new ATOM 0 H4' DC A 15 13.951 1.352 4.219 1.00 0.00 H new ATOM 0 H3' DC A 15 11.650 0.673 5.455 1.00 0.00 H new ATOM 0 H2' DC A 15 12.210 1.303 7.724 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.797 -0.348 7.715 1.00 0.00 H new ATOM 0 H1' DC A 15 14.983 0.266 7.530 1.00 0.00 H new ATOM 0 H41 DC A 15 15.175 5.471 11.566 1.00 0.00 H new ATOM 0 H42 DC A 15 15.499 4.048 12.563 1.00 0.00 H new ATOM 0 H5 DC A 15 14.596 5.321 9.232 1.00 0.00 H new ATOM 0 H6 DC A 15 14.200 3.817 7.347 1.00 0.00 H new ATOM 485 P DG A 16 12.569 -1.301 3.872 1.00 0.00 P ATOM 486 OP1 DG A 16 12.992 -2.714 3.765 1.00 0.00 O ATOM 487 OP2 DG A 16 12.903 -0.347 2.788 1.00 0.00 O ATOM 488 O5' DG A 16 10.975 -1.267 4.105 1.00 0.00 O ATOM 489 C5' DG A 16 10.394 -1.887 5.258 1.00 0.00 C ATOM 490 C4' DG A 16 8.873 -1.784 5.248 1.00 0.00 C ATOM 491 O4' DG A 16 8.517 -0.399 5.160 1.00 0.00 O ATOM 492 C3' DG A 16 8.218 -2.514 4.083 1.00 0.00 C ATOM 493 O3' DG A 16 7.070 -3.227 4.556 1.00 0.00 O ATOM 494 C2' DG A 16 7.776 -1.422 3.113 1.00 0.00 C ATOM 495 C1' DG A 16 7.952 -0.113 3.879 1.00 0.00 C ATOM 496 N9 DG A 16 8.843 0.851 3.209 1.00 0.00 N ATOM 497 C8 DG A 16 10.061 0.637 2.631 1.00 0.00 C ATOM 498 N7 DG A 16 10.613 1.687 2.100 1.00 0.00 N ATOM 499 C5 DG A 16 9.681 2.694 2.344 1.00 0.00 C ATOM 500 C6 DG A 16 9.722 4.073 1.999 1.00 0.00 C ATOM 501 O6 DG A 16 10.601 4.684 1.397 1.00 0.00 O ATOM 502 N1 DG A 16 8.584 4.738 2.436 1.00 0.00 N ATOM 503 C2 DG A 16 7.535 4.155 3.118 1.00 0.00 C ATOM 504 N2 DG A 16 6.531 4.962 3.461 1.00 0.00 N ATOM 505 N3 DG A 16 7.493 2.858 3.441 1.00 0.00 N ATOM 506 C4 DG A 16 8.595 2.192 3.025 1.00 0.00 C ATOM 0 H5' DG A 16 10.785 -1.416 6.160 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.687 -2.936 5.294 1.00 0.00 H new ATOM 0 H4' DG A 16 8.516 -2.253 6.165 1.00 0.00 H new ATOM 0 H3' DG A 16 8.895 -3.227 3.613 1.00 0.00 H new ATOM 0 H2' DG A 16 8.381 -1.432 2.206 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.739 -1.563 2.807 1.00 0.00 H new ATOM 0 H1' DG A 16 6.962 0.338 3.946 1.00 0.00 H new ATOM 0 H8 DG A 16 10.532 -0.335 2.616 1.00 0.00 H new ATOM 0 H1 DG A 16 8.518 5.736 2.237 1.00 0.00 H new ATOM 0 H21 DG A 16 5.727 4.590 3.967 1.00 0.00 H new ATOM 0 H22 DG A 16 6.567 5.952 3.218 1.00 0.00 H new ATOM 518 P DG A 17 7.147 -4.810 4.846 1.00 0.00 P ATOM 519 OP1 DG A 17 5.883 -5.225 5.493 1.00 0.00 O ATOM 520 OP2 DG A 17 8.444 -5.101 5.502 1.00 0.00 O ATOM 521 O5' DG A 17 7.173 -5.435 3.359 1.00 0.00 O ATOM 522 C5' DG A 17 7.836 -6.675 3.107 1.00 0.00 C ATOM 523 C4' DG A 17 8.300 -6.782 1.656 1.00 0.00 C ATOM 524 O4' DG A 17 7.273 -7.396 0.844 1.00 0.00 O ATOM 525 C3' DG A 17 8.660 -5.448 1.008 1.00 0.00 C ATOM 526 O3' DG A 17 10.088 -5.308 0.985 1.00 0.00 O ATOM 527 C2' DG A 17 8.127 -5.526 -0.425 1.00 0.00 C ATOM 528 C1' DG A 17 7.355 -6.848 -0.470 1.00 0.00 C ATOM 529 N9 DG A 17 5.985 -6.704 -0.980 1.00 0.00 N ATOM 530 C8 DG A 17 5.573 -6.544 -2.268 1.00 0.00 C ATOM 531 N7 DG A 17 4.290 -6.435 -2.429 1.00 0.00 N ATOM 532 C5 DG A 17 3.796 -6.529 -1.128 1.00 0.00 C ATOM 533 C6 DG A 17 2.457 -6.479 -0.657 1.00 0.00 C ATOM 534 O6 DG A 17 1.424 -6.339 -1.309 1.00 0.00 O ATOM 535 N1 DG A 17 2.396 -6.611 0.724 1.00 0.00 N ATOM 536 C2 DG A 17 3.487 -6.772 1.552 1.00 0.00 C ATOM 537 N2 DG A 17 3.228 -6.873 2.854 1.00 0.00 N ATOM 538 N3 DG A 17 4.750 -6.822 1.112 1.00 0.00 N ATOM 539 C4 DG A 17 4.830 -6.695 -0.233 1.00 0.00 C ATOM 0 H5' DG A 17 7.162 -7.501 3.336 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.695 -6.770 3.772 1.00 0.00 H new ATOM 0 H4' DG A 17 9.206 -7.387 1.698 1.00 0.00 H new ATOM 0 H3' DG A 17 8.239 -4.600 1.548 1.00 0.00 H new ATOM 0 H2' DG A 17 7.480 -4.680 -0.655 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.939 -5.514 -1.153 1.00 0.00 H new ATOM 0 H1' DG A 17 7.903 -7.499 -1.151 1.00 0.00 H new ATOM 0 H8 DG A 17 6.265 -6.510 -3.097 1.00 0.00 H new ATOM 0 H1 DG A 17 1.474 -6.587 1.159 1.00 0.00 H new ATOM 0 H21 DG A 17 3.993 -6.994 3.518 1.00 0.00 H new ATOM 0 H22 DG A 17 2.265 -6.830 3.187 1.00 0.00 H new ATOM 551 P DG A 18 10.777 -3.915 1.402 1.00 0.00 P ATOM 552 OP1 DG A 18 12.244 -4.061 1.257 1.00 0.00 O ATOM 553 OP2 DG A 18 10.204 -3.492 2.701 1.00 0.00 O ATOM 554 O5' DG A 18 10.252 -2.915 0.252 1.00 0.00 O ATOM 555 C5' DG A 18 10.682 -3.091 -1.102 1.00 0.00 C ATOM 556 C4' DG A 18 9.714 -2.459 -2.100 1.00 0.00 C ATOM 557 O4' DG A 18 8.437 -3.064 -1.978 1.00 0.00 O ATOM 558 C3' DG A 18 9.499 -0.977 -1.898 1.00 0.00 C ATOM 559 O3' DG A 18 10.471 -0.247 -2.648 1.00 0.00 O ATOM 560 C2' DG A 18 8.110 -0.744 -2.479 1.00 0.00 C ATOM 561 C1' DG A 18 7.465 -2.132 -2.478 1.00 0.00 C ATOM 562 N9 DG A 18 6.259 -2.218 -1.632 1.00 0.00 N ATOM 563 C8 DG A 18 6.154 -2.498 -0.299 1.00 0.00 C ATOM 564 N7 DG A 18 4.945 -2.471 0.177 1.00 0.00 N ATOM 565 C5 DG A 18 4.170 -2.145 -0.936 1.00 0.00 C ATOM 566 C6 DG A 18 2.763 -1.968 -1.049 1.00 0.00 C ATOM 567 O6 DG A 18 1.908 -2.063 -0.171 1.00 0.00 O ATOM 568 N1 DG A 18 2.393 -1.648 -2.349 1.00 0.00 N ATOM 569 C2 DG A 18 3.266 -1.513 -3.410 1.00 0.00 C ATOM 570 N2 DG A 18 2.726 -1.207 -4.589 1.00 0.00 N ATOM 571 N3 DG A 18 4.588 -1.676 -3.306 1.00 0.00 N ATOM 572 C4 DG A 18 4.968 -1.990 -2.046 1.00 0.00 C ATOM 0 H5' DG A 18 10.778 -4.156 -1.316 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.671 -2.650 -1.228 1.00 0.00 H new ATOM 0 H4' DG A 18 10.171 -2.616 -3.077 1.00 0.00 H new ATOM 0 H3' DG A 18 9.588 -0.661 -0.859 1.00 0.00 H new ATOM 0 H2' DG A 18 7.539 -0.039 -1.875 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.164 -0.331 -3.486 1.00 0.00 H new ATOM 0 H1' DG A 18 7.154 -2.353 -3.499 1.00 0.00 H new ATOM 0 H8 DG A 18 7.013 -2.725 0.315 1.00 0.00 H new ATOM 0 H1 DG A 18 1.401 -1.502 -2.534 1.00 0.00 H new ATOM 0 H21 DG A 18 3.322 -1.094 -5.409 1.00 0.00 H new ATOM 0 H22 DG A 18 1.717 -1.085 -4.671 1.00 0.00 H new ATOM 584 P DG A 19 10.729 1.307 -2.332 1.00 0.00 P ATOM 585 OP1 DG A 19 11.968 1.723 -3.026 1.00 0.00 O ATOM 586 OP2 DG A 19 10.603 1.503 -0.870 1.00 0.00 O ATOM 587 O5' DG A 19 9.476 2.023 -3.055 1.00 0.00 O ATOM 588 C5' DG A 19 9.357 1.999 -4.482 1.00 0.00 C ATOM 589 C4' DG A 19 8.014 2.548 -4.959 1.00 0.00 C ATOM 590 O4' DG A 19 6.946 1.781 -4.426 1.00 0.00 O ATOM 591 C3' DG A 19 7.744 3.981 -4.553 1.00 0.00 C ATOM 592 O3' DG A 19 8.281 4.877 -5.529 1.00 0.00 O ATOM 593 C2' DG A 19 6.224 4.060 -4.559 1.00 0.00 C ATOM 594 C1' DG A 19 5.773 2.610 -4.378 1.00 0.00 C ATOM 595 N9 DG A 19 5.084 2.365 -3.097 1.00 0.00 N ATOM 596 C8 DG A 19 5.609 2.015 -1.886 1.00 0.00 C ATOM 597 N7 DG A 19 4.745 1.899 -0.922 1.00 0.00 N ATOM 598 C5 DG A 19 3.532 2.196 -1.543 1.00 0.00 C ATOM 599 C6 DG A 19 2.217 2.234 -1.004 1.00 0.00 C ATOM 600 O6 DG A 19 1.861 2.014 0.152 1.00 0.00 O ATOM 601 N1 DG A 19 1.281 2.575 -1.971 1.00 0.00 N ATOM 602 C2 DG A 19 1.570 2.845 -3.292 1.00 0.00 C ATOM 603 N2 DG A 19 0.536 3.149 -4.074 1.00 0.00 N ATOM 604 N3 DG A 19 2.804 2.813 -3.802 1.00 0.00 N ATOM 605 C4 DG A 19 3.732 2.481 -2.875 1.00 0.00 C ATOM 0 H5' DG A 19 9.476 0.975 -4.837 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.164 2.585 -4.922 1.00 0.00 H new ATOM 0 H4' DG A 19 8.073 2.495 -6.046 1.00 0.00 H new ATOM 0 H3' DG A 19 8.190 4.250 -3.595 1.00 0.00 H new ATOM 0 H2' DG A 19 5.855 4.695 -3.754 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.851 4.480 -5.493 1.00 0.00 H new ATOM 0 H1' DG A 19 5.060 2.383 -5.171 1.00 0.00 H new ATOM 0 H8 DG A 19 6.666 1.847 -1.740 1.00 0.00 H new ATOM 0 H1 DG A 19 0.304 2.630 -1.682 1.00 0.00 H new ATOM 0 H21 DG A 19 0.687 3.358 -5.061 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.407 3.172 -3.686 1.00 0.00 H new ATOM 617 P DT A 20 8.755 6.352 -5.089 1.00 0.00 P ATOM 618 OP1 DT A 20 9.351 7.026 -6.265 1.00 0.00 O ATOM 619 OP2 DT A 20 9.532 6.227 -3.836 1.00 0.00 O ATOM 620 O5' DT A 20 7.361 7.077 -4.745 1.00 0.00 O ATOM 621 C5' DT A 20 6.395 7.294 -5.773 1.00 0.00 C ATOM 622 C4' DT A 20 5.036 7.705 -5.205 1.00 0.00 C ATOM 623 O4' DT A 20 4.637 6.784 -4.173 1.00 0.00 O ATOM 624 C3' DT A 20 5.015 9.086 -4.566 1.00 0.00 C ATOM 625 O3' DT A 20 4.778 10.124 -5.526 1.00 0.00 O ATOM 626 C2' DT A 20 3.861 8.947 -3.588 1.00 0.00 C ATOM 627 C1' DT A 20 4.088 7.534 -3.078 1.00 0.00 C ATOM 628 N1 DT A 20 5.047 7.467 -1.967 1.00 0.00 N ATOM 629 C2 DT A 20 4.552 7.632 -0.690 1.00 0.00 C ATOM 630 O2 DT A 20 3.352 7.784 -0.470 1.00 0.00 O ATOM 631 N3 DT A 20 5.485 7.613 0.327 1.00 0.00 N ATOM 632 C4 DT A 20 6.850 7.443 0.176 1.00 0.00 C ATOM 633 O4 DT A 20 7.594 7.451 1.153 1.00 0.00 O ATOM 634 C5 DT A 20 7.274 7.275 -1.197 1.00 0.00 C ATOM 635 C7 DT A 20 8.754 7.088 -1.510 1.00 0.00 C ATOM 636 C6 DT A 20 6.381 7.289 -2.205 1.00 0.00 C ATOM 0 H5' DT A 20 6.281 6.384 -6.362 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.754 8.069 -6.450 1.00 0.00 H new ATOM 0 H4' DT A 20 4.365 7.706 -6.064 1.00 0.00 H new ATOM 0 H3' DT A 20 5.960 9.371 -4.104 1.00 0.00 H new ATOM 0 H2' DT A 20 3.905 9.687 -2.789 1.00 0.00 H new ATOM 0 H2'' DT A 20 2.892 9.060 -4.074 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.771 10.993 -5.073 1.00 0.00 H new ATOM 0 H1' DT A 20 3.138 7.145 -2.711 1.00 0.00 H new ATOM 0 H3 DT A 20 5.136 7.736 1.278 1.00 0.00 H new ATOM 0 H71 DT A 20 9.353 7.609 -0.763 1.00 0.00 H new ATOM 0 H72 DT A 20 8.998 6.026 -1.494 1.00 0.00 H new ATOM 0 H73 DT A 20 8.971 7.495 -2.497 1.00 0.00 H new ATOM 0 H6 DT A 20 6.725 7.157 -3.220 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.385 5.651 0.759 1.00 0.00 C HETATM 652 C2 BER A 101 -1.707 5.863 0.384 1.00 0.00 C HETATM 653 N1 BER A 101 -0.081 5.531 2.059 1.00 0.00 N HETATM 654 C3 BER A 101 0.603 5.562 -0.214 1.00 0.00 C HETATM 655 C4 BER A 101 -2.693 5.999 1.350 1.00 0.00 C HETATM 656 C5 BER A 101 -2.058 6.024 -0.950 1.00 0.00 C HETATM 657 C6 BER A 101 1.243 5.300 2.454 1.00 0.00 C HETATM 658 C7 BER A 101 -1.160 5.271 3.041 1.00 0.00 C HETATM 659 C8 BER A 101 1.923 5.337 0.151 1.00 0.00 C HETATM 660 C9 BER A 101 -3.982 6.301 0.925 1.00 0.00 C HETATM 661 C10 BER A 101 -2.342 6.178 2.685 1.00 0.00 C HETATM 662 C11 BER A 101 -3.306 6.335 -1.292 1.00 0.00 C HETATM 663 C12 BER A 101 2.245 5.189 1.495 1.00 0.00 C HETATM 664 C13 BER A 101 2.885 5.128 -0.829 1.00 0.00 C HETATM 665 C14 BER A 101 -4.254 6.475 -0.367 1.00 0.00 C HETATM 666 O1 BER A 101 -3.802 6.583 -2.533 1.00 0.00 O HETATM 667 C15 BER A 101 3.542 4.853 1.865 1.00 0.00 C HETATM 668 C16 BER A 101 4.185 4.795 -0.467 1.00 0.00 C HETATM 669 O2 BER A 101 -5.440 6.807 -0.941 1.00 0.00 O HETATM 670 C17 BER A 101 -5.226 6.630 -2.349 1.00 0.00 C HETATM 671 C18 BER A 101 4.504 4.664 0.880 1.00 0.00 C HETATM 672 O3 BER A 101 3.863 4.688 3.176 1.00 0.00 O HETATM 673 O4 BER A 101 5.776 4.429 1.300 1.00 0.00 O HETATM 674 C19 BER A 101 3.869 5.956 3.838 1.00 0.00 C HETATM 675 C20 BER A 101 6.650 4.368 0.171 1.00 0.00 C HETATM 0 H203 BER A 101 6.333 3.563 -0.491 1.00 0.00 H new HETATM 0 H202 BER A 101 6.616 5.315 -0.367 1.00 0.00 H new HETATM 0 H201 BER A 101 7.669 4.180 0.509 1.00 0.00 H new HETATM 0 H193 BER A 101 4.604 6.609 3.367 1.00 0.00 H new HETATM 0 H192 BER A 101 2.881 6.410 3.764 1.00 0.00 H new HETATM 0 H191 BER A 101 4.127 5.817 4.888 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.665 7.451 -2.916 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.695 5.712 -2.702 1.00 0.00 H new HETATM 0 H161 BER A 101 4.946 4.638 -1.231 1.00 0.00 H new HETATM 0 H131 BER A 101 2.620 5.225 -1.882 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.078 7.220 2.864 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.193 5.950 3.327 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.781 6.397 1.660 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.459 4.223 3.012 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.813 5.475 4.054 1.00 0.00 H new HETATM 0 H61 BER A 101 1.488 5.207 3.512 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.303 5.894 -1.725 1.00 0.00 H new HETATM 0 H31 BER A 101 0.341 5.669 -1.267 1.00 0.00 H new