USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 280 hydrogens (74 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0467 (180deg=-0.463) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 13 DC O5' : rot 180:sc= 0 USER MOD Single : B 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 20 DT C7 :methyl -30:sc= -0.0813 (180deg=-0.504) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.170 -9.242 -2.337 1.00 0.00 O ATOM 2 C5' DC A 1 2.450 -8.023 -2.512 1.00 0.00 C ATOM 3 C4' DC A 1 3.362 -6.791 -2.386 1.00 0.00 C ATOM 4 O4' DC A 1 2.571 -5.627 -2.627 1.00 0.00 O ATOM 5 C3' DC A 1 3.993 -6.646 -0.986 1.00 0.00 C ATOM 6 O3' DC A 1 5.315 -6.128 -1.102 1.00 0.00 O ATOM 7 C2' DC A 1 3.045 -5.631 -0.332 1.00 0.00 C ATOM 8 C1' DC A 1 2.742 -4.738 -1.537 1.00 0.00 C ATOM 9 N1 DC A 1 1.561 -3.835 -1.392 1.00 0.00 N ATOM 10 C2 DC A 1 1.738 -2.453 -1.575 1.00 0.00 C ATOM 11 O2 DC A 1 2.832 -1.960 -1.858 1.00 0.00 O ATOM 12 N3 DC A 1 0.695 -1.594 -1.463 1.00 0.00 N ATOM 13 C4 DC A 1 -0.485 -2.081 -1.149 1.00 0.00 C ATOM 14 N4 DC A 1 -1.458 -1.216 -1.095 1.00 0.00 N ATOM 15 C5 DC A 1 -0.736 -3.465 -0.943 1.00 0.00 C ATOM 16 C6 DC A 1 0.311 -4.318 -1.075 1.00 0.00 C ATOM 0 H5' DC A 1 1.654 -7.962 -1.769 1.00 0.00 H new ATOM 0 H5'' DC A 1 1.972 -8.022 -3.492 1.00 0.00 H new ATOM 0 H4' DC A 1 4.171 -6.910 -3.106 1.00 0.00 H new ATOM 0 H3' DC A 1 4.091 -7.575 -0.424 1.00 0.00 H new ATOM 0 H2' DC A 1 2.149 -6.100 0.075 1.00 0.00 H new ATOM 0 H2'' DC A 1 3.518 -5.084 0.484 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.555 -10.000 -2.423 1.00 0.00 H new ATOM 0 H1' DC A 1 3.566 -4.037 -1.670 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.401 -1.523 -0.857 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.277 -0.231 -1.290 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.723 -3.824 -0.691 1.00 0.00 H new ATOM 0 H6 DC A 1 0.164 -5.378 -0.931 1.00 0.00 H new ATOM 29 P DG A 2 6.333 -6.038 0.150 1.00 0.00 P ATOM 30 OP1 DG A 2 7.603 -6.698 -0.246 1.00 0.00 O ATOM 31 OP2 DG A 2 5.646 -6.495 1.383 1.00 0.00 O ATOM 32 O5' DG A 2 6.589 -4.450 0.288 1.00 0.00 O ATOM 33 C5' DG A 2 7.405 -3.743 -0.644 1.00 0.00 C ATOM 34 C4' DG A 2 7.798 -2.329 -0.177 1.00 0.00 C ATOM 35 O4' DG A 2 6.673 -1.455 -0.193 1.00 0.00 O ATOM 36 C3' DG A 2 8.403 -2.304 1.237 1.00 0.00 C ATOM 37 O3' DG A 2 9.493 -1.382 1.256 1.00 0.00 O ATOM 38 C2' DG A 2 7.193 -1.890 2.080 1.00 0.00 C ATOM 39 C1' DG A 2 6.417 -0.985 1.123 1.00 0.00 C ATOM 40 N9 DG A 2 4.954 -0.973 1.348 1.00 0.00 N ATOM 41 C8 DG A 2 4.111 -2.035 1.570 1.00 0.00 C ATOM 42 N7 DG A 2 2.847 -1.713 1.657 1.00 0.00 N ATOM 43 C5 DG A 2 2.856 -0.317 1.505 1.00 0.00 C ATOM 44 C6 DG A 2 1.791 0.654 1.504 1.00 0.00 C ATOM 45 O6 DG A 2 0.576 0.484 1.590 1.00 0.00 O ATOM 46 N1 DG A 2 2.231 1.957 1.379 1.00 0.00 N ATOM 47 C2 DG A 2 3.531 2.303 1.233 1.00 0.00 C ATOM 48 N2 DG A 2 3.801 3.576 1.135 1.00 0.00 N ATOM 49 N3 DG A 2 4.545 1.444 1.190 1.00 0.00 N ATOM 50 C4 DG A 2 4.145 0.142 1.341 1.00 0.00 C ATOM 0 H5' DG A 2 6.875 -3.668 -1.593 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.311 -4.319 -0.830 1.00 0.00 H new ATOM 0 H4' DG A 2 8.558 -1.993 -0.882 1.00 0.00 H new ATOM 0 H3' DG A 2 8.837 -3.234 1.604 1.00 0.00 H new ATOM 0 H2' DG A 2 6.602 -2.751 2.393 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.491 -1.362 2.986 1.00 0.00 H new ATOM 0 H1' DG A 2 6.753 0.038 1.289 1.00 0.00 H new ATOM 0 H8 DG A 2 4.463 -3.051 1.665 1.00 0.00 H new ATOM 0 H1 DG A 2 1.535 2.702 1.398 1.00 0.00 H new ATOM 0 H21 DG A 2 4.767 3.885 1.024 1.00 0.00 H new ATOM 0 H22 DG A 2 3.046 4.261 1.170 1.00 0.00 H new HETATM 62 N1 5CM A 3 5.063 1.337 4.675 1.00 0.00 N HETATM 63 C2 5CM A 3 3.780 1.909 4.667 1.00 0.00 C HETATM 64 N3 5CM A 3 2.673 1.137 4.777 1.00 0.00 N HETATM 65 C4 5CM A 3 2.831 -0.165 4.953 1.00 0.00 C HETATM 66 C5 5CM A 3 4.122 -0.812 5.025 1.00 0.00 C HETATM 67 C5A 5CM A 3 4.281 -2.317 5.225 1.00 0.00 C HETATM 68 C6 5CM A 3 5.211 -0.018 4.882 1.00 0.00 C HETATM 69 O2 5CM A 3 3.595 3.121 4.556 1.00 0.00 O HETATM 70 N4 5CM A 3 1.704 -0.831 5.006 1.00 0.00 N HETATM 71 C1' 5CM A 3 6.249 2.203 4.406 1.00 0.00 C HETATM 72 C2' 5CM A 3 7.301 2.233 5.517 1.00 0.00 C HETATM 73 C3' 5CM A 3 8.599 2.592 4.779 1.00 0.00 C HETATM 74 C4' 5CM A 3 8.248 2.306 3.309 1.00 0.00 C HETATM 75 O4' 5CM A 3 6.950 1.728 3.275 1.00 0.00 O HETATM 76 O3' 5CM A 3 8.971 3.959 4.927 1.00 0.00 O HETATM 77 C5' 5CM A 3 9.266 1.410 2.590 1.00 0.00 C HETATM 78 O5' 5CM A 3 9.459 0.168 3.259 1.00 0.00 O HETATM 79 P 5CM A 3 10.325 -1.012 2.590 1.00 0.00 P HETATM 80 OP1 5CM A 3 11.632 -0.451 2.166 1.00 0.00 O HETATM 81 OP2 5CM A 3 10.313 -2.182 3.504 1.00 0.00 O HETATM 0 HN42 5CM A 3 1.715 -1.842 5.139 1.00 0.00 H new HETATM 0 HN41 5CM A 3 0.816 -0.338 4.914 1.00 0.00 H new HETATM 0 H5A3 5CM A 3 3.818 -2.610 6.167 1.00 0.00 H new HETATM 0 H5A2 5CM A 3 3.798 -2.846 4.404 1.00 0.00 H new HETATM 0 H5A1 5CM A 3 5.341 -2.571 5.247 1.00 0.00 H new HETATM 0 H5'' 5CM A 3 8.926 1.223 1.571 1.00 0.00 H new HETATM 0 H2'' 5CM A 3 7.057 2.972 6.280 1.00 0.00 H new HETATM 0 H6 5CM A 3 6.209 -0.453 4.931 1.00 0.00 H new HETATM 0 H5' 5CM A 3 10.220 1.933 2.517 1.00 0.00 H new HETATM 0 H4' 5CM A 3 8.274 3.250 2.765 1.00 0.00 H new HETATM 0 H3' 5CM A 3 9.447 2.028 5.167 1.00 0.00 H new HETATM 0 H2' 5CM A 3 7.380 1.269 6.020 1.00 0.00 H new HETATM 0 H1' 5CM A 3 5.818 3.197 4.289 1.00 0.00 H new ATOM 95 P DG A 4 9.671 4.525 6.268 1.00 0.00 P ATOM 96 OP1 DG A 4 10.406 5.764 5.907 1.00 0.00 O ATOM 97 OP2 DG A 4 10.414 3.424 6.931 1.00 0.00 O ATOM 98 O5' DG A 4 8.424 4.924 7.205 1.00 0.00 O ATOM 99 C5' DG A 4 7.644 6.082 6.934 1.00 0.00 C ATOM 100 C4' DG A 4 6.392 6.177 7.815 1.00 0.00 C ATOM 101 O4' DG A 4 5.421 5.203 7.445 1.00 0.00 O ATOM 102 C3' DG A 4 6.681 6.003 9.320 1.00 0.00 C ATOM 103 O3' DG A 4 6.116 7.108 10.011 1.00 0.00 O ATOM 104 C2' DG A 4 5.959 4.688 9.626 1.00 0.00 C ATOM 105 C1' DG A 4 4.799 4.774 8.641 1.00 0.00 C ATOM 106 N9 DG A 4 4.038 3.517 8.441 1.00 0.00 N ATOM 107 C8 DG A 4 4.476 2.214 8.444 1.00 0.00 C ATOM 108 N7 DG A 4 3.541 1.330 8.207 1.00 0.00 N ATOM 109 C5 DG A 4 2.375 2.105 8.095 1.00 0.00 C ATOM 110 C6 DG A 4 0.992 1.746 7.893 1.00 0.00 C ATOM 111 O6 DG A 4 0.486 0.639 7.702 1.00 0.00 O ATOM 112 N1 DG A 4 0.129 2.821 7.952 1.00 0.00 N ATOM 113 C2 DG A 4 0.531 4.100 8.149 1.00 0.00 C ATOM 114 N2 DG A 4 -0.396 5.009 8.266 1.00 0.00 N ATOM 115 N3 DG A 4 1.792 4.487 8.304 1.00 0.00 N ATOM 116 C4 DG A 4 2.674 3.441 8.272 1.00 0.00 C ATOM 0 H5' DG A 4 7.345 6.076 5.886 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.257 6.971 7.085 1.00 0.00 H new ATOM 0 H4' DG A 4 6.014 7.186 7.649 1.00 0.00 H new ATOM 0 H3' DG A 4 7.732 5.971 9.608 1.00 0.00 H new ATOM 0 H2' DG A 4 6.590 3.817 9.449 1.00 0.00 H new ATOM 0 H2'' DG A 4 5.621 4.631 10.661 1.00 0.00 H new ATOM 0 H1' DG A 4 4.028 5.448 9.015 1.00 0.00 H new ATOM 0 H8 DG A 4 5.505 1.943 8.627 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.869 2.643 7.841 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.138 5.984 8.415 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.379 4.745 8.208 1.00 0.00 H new ATOM 128 P DA A 5 6.453 7.464 11.546 1.00 0.00 P ATOM 129 OP1 DA A 5 7.254 8.713 11.572 1.00 0.00 O ATOM 130 OP2 DA A 5 6.968 6.260 12.244 1.00 0.00 O ATOM 131 O5' DA A 5 4.981 7.769 12.116 1.00 0.00 O ATOM 132 C5' DA A 5 4.243 8.901 11.664 1.00 0.00 C ATOM 133 C4' DA A 5 2.789 8.925 12.163 1.00 0.00 C ATOM 134 O4' DA A 5 2.063 7.817 11.631 1.00 0.00 O ATOM 135 C3' DA A 5 2.682 8.882 13.695 1.00 0.00 C ATOM 136 O3' DA A 5 1.639 9.763 14.110 1.00 0.00 O ATOM 137 C2' DA A 5 2.418 7.395 13.941 1.00 0.00 C ATOM 138 C1' DA A 5 1.648 6.967 12.689 1.00 0.00 C ATOM 139 N9 DA A 5 1.874 5.551 12.308 1.00 0.00 N ATOM 140 C8 DA A 5 3.054 4.845 12.277 1.00 0.00 C ATOM 141 N7 DA A 5 2.930 3.588 11.931 1.00 0.00 N ATOM 142 C5 DA A 5 1.546 3.460 11.727 1.00 0.00 C ATOM 143 C6 DA A 5 0.683 2.401 11.350 1.00 0.00 C ATOM 144 N6 DA A 5 1.072 1.170 11.076 1.00 0.00 N ATOM 145 N1 DA A 5 -0.631 2.589 11.233 1.00 0.00 N ATOM 146 C2 DA A 5 -1.117 3.796 11.488 1.00 0.00 C ATOM 147 N3 DA A 5 -0.445 4.880 11.862 1.00 0.00 N ATOM 148 C4 DA A 5 0.897 4.646 11.956 1.00 0.00 C ATOM 0 H5' DA A 5 4.245 8.914 10.574 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.747 9.809 11.995 1.00 0.00 H new ATOM 0 H4' DA A 5 2.366 9.868 11.818 1.00 0.00 H new ATOM 0 H3' DA A 5 3.549 9.221 14.262 1.00 0.00 H new ATOM 0 H2' DA A 5 3.346 6.834 14.055 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.835 7.234 14.848 1.00 0.00 H new ATOM 0 H1' DA A 5 0.581 7.052 12.897 1.00 0.00 H new ATOM 0 H8 DA A 5 4.007 5.292 12.519 1.00 0.00 H new ATOM 0 H61 DA A 5 0.384 0.465 10.812 1.00 0.00 H new ATOM 0 H62 DA A 5 2.060 0.924 11.129 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.185 3.912 11.379 1.00 0.00 H new ATOM 160 P DA A 6 1.099 9.873 15.627 1.00 0.00 P ATOM 161 OP1 DA A 6 0.716 11.286 15.870 1.00 0.00 O ATOM 162 OP2 DA A 6 2.067 9.229 16.549 1.00 0.00 O ATOM 163 O5' DA A 6 -0.242 8.977 15.585 1.00 0.00 O ATOM 164 C5' DA A 6 -1.372 9.392 14.823 1.00 0.00 C ATOM 165 C4' DA A 6 -2.649 8.582 15.106 1.00 0.00 C ATOM 166 O4' DA A 6 -2.508 7.243 14.647 1.00 0.00 O ATOM 167 C3' DA A 6 -3.029 8.546 16.595 1.00 0.00 C ATOM 168 O3' DA A 6 -4.444 8.686 16.710 1.00 0.00 O ATOM 169 C2' DA A 6 -2.471 7.187 17.027 1.00 0.00 C ATOM 170 C1' DA A 6 -2.564 6.349 15.747 1.00 0.00 C ATOM 171 N9 DA A 6 -1.472 5.358 15.592 1.00 0.00 N ATOM 172 C8 DA A 6 -0.126 5.512 15.828 1.00 0.00 C ATOM 173 N7 DA A 6 0.599 4.456 15.557 1.00 0.00 N ATOM 174 C5 DA A 6 -0.362 3.521 15.139 1.00 0.00 C ATOM 175 C6 DA A 6 -0.327 2.170 14.712 1.00 0.00 C ATOM 176 N6 DA A 6 0.766 1.441 14.584 1.00 0.00 N ATOM 177 N1 DA A 6 -1.448 1.513 14.410 1.00 0.00 N ATOM 178 C2 DA A 6 -2.599 2.166 14.494 1.00 0.00 C ATOM 179 N3 DA A 6 -2.790 3.429 14.852 1.00 0.00 N ATOM 180 C4 DA A 6 -1.622 4.059 15.164 1.00 0.00 C ATOM 0 H5' DA A 6 -1.131 9.313 13.763 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.569 10.444 15.028 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.446 9.094 14.566 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.633 9.343 17.225 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.444 7.268 17.382 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.055 6.751 17.837 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.494 5.783 15.797 1.00 0.00 H new ATOM 0 H8 DA A 6 0.299 6.430 16.206 1.00 0.00 H new ATOM 0 H61 DA A 6 0.699 0.473 14.269 1.00 0.00 H new ATOM 0 H62 DA A 6 1.677 1.846 14.800 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.485 1.603 14.241 1.00 0.00 H new ATOM 192 P DT A 7 -5.246 8.577 18.108 1.00 0.00 P ATOM 193 OP1 DT A 7 -6.521 9.321 17.957 1.00 0.00 O ATOM 194 OP2 DT A 7 -4.333 8.944 19.219 1.00 0.00 O ATOM 195 O5' DT A 7 -5.584 7.007 18.216 1.00 0.00 O ATOM 196 C5' DT A 7 -6.450 6.377 17.277 1.00 0.00 C ATOM 197 C4' DT A 7 -6.396 4.847 17.369 1.00 0.00 C ATOM 198 O4' DT A 7 -5.079 4.378 17.129 1.00 0.00 O ATOM 199 C3' DT A 7 -6.826 4.295 18.738 1.00 0.00 C ATOM 200 O3' DT A 7 -8.160 3.800 18.668 1.00 0.00 O ATOM 201 C2' DT A 7 -5.796 3.194 19.009 1.00 0.00 C ATOM 202 C1' DT A 7 -4.988 3.096 17.716 1.00 0.00 C ATOM 203 N1 DT A 7 -3.574 2.717 17.966 1.00 0.00 N ATOM 204 C2 DT A 7 -3.177 1.412 17.658 1.00 0.00 C ATOM 205 O2 DT A 7 -3.944 0.529 17.282 1.00 0.00 O ATOM 206 N3 DT A 7 -1.842 1.127 17.803 1.00 0.00 N ATOM 207 C4 DT A 7 -0.874 1.987 18.262 1.00 0.00 C ATOM 208 O4 DT A 7 0.292 1.593 18.283 1.00 0.00 O ATOM 209 C5 DT A 7 -1.373 3.303 18.669 1.00 0.00 C ATOM 210 C7 DT A 7 -0.431 4.339 19.255 1.00 0.00 C ATOM 211 C6 DT A 7 -2.686 3.621 18.514 1.00 0.00 C ATOM 0 H5' DT A 7 -6.176 6.688 16.269 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.473 6.713 17.448 1.00 0.00 H new ATOM 0 H4' DT A 7 -7.098 4.495 16.613 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.842 5.036 19.537 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.159 3.447 19.856 1.00 0.00 H new ATOM 0 H2'' DT A 7 -6.281 2.247 19.246 1.00 0.00 H new ATOM 0 H1' DT A 7 -5.379 2.316 17.063 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.540 0.187 17.545 1.00 0.00 H new ATOM 0 H71 DT A 7 -0.790 5.338 19.008 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.393 4.225 20.338 1.00 0.00 H new ATOM 0 H73 DT A 7 0.567 4.199 18.840 1.00 0.00 H new ATOM 0 H6 DT A 7 -3.039 4.594 18.824 1.00 0.00 H new ATOM 224 P DT A 8 -8.987 3.328 19.975 1.00 0.00 P ATOM 225 OP1 DT A 8 -10.430 3.352 19.626 1.00 0.00 O ATOM 226 OP2 DT A 8 -8.525 4.117 21.144 1.00 0.00 O ATOM 227 O5' DT A 8 -8.547 1.794 20.198 1.00 0.00 O ATOM 228 C5' DT A 8 -8.929 0.771 19.284 1.00 0.00 C ATOM 229 C4' DT A 8 -8.203 -0.556 19.556 1.00 0.00 C ATOM 230 O4' DT A 8 -6.806 -0.398 19.357 1.00 0.00 O ATOM 231 C3' DT A 8 -8.427 -1.087 20.983 1.00 0.00 C ATOM 232 O3' DT A 8 -9.261 -2.244 20.935 1.00 0.00 O ATOM 233 C2' DT A 8 -7.008 -1.402 21.473 1.00 0.00 C ATOM 234 C1' DT A 8 -6.123 -1.268 20.236 1.00 0.00 C ATOM 235 N1 DT A 8 -4.785 -0.700 20.549 1.00 0.00 N ATOM 236 C2 DT A 8 -3.645 -1.477 20.308 1.00 0.00 C ATOM 237 O2 DT A 8 -3.677 -2.634 19.895 1.00 0.00 O ATOM 238 N3 DT A 8 -2.432 -0.892 20.582 1.00 0.00 N ATOM 239 C4 DT A 8 -2.241 0.362 21.115 1.00 0.00 C ATOM 240 O4 DT A 8 -1.091 0.758 21.291 1.00 0.00 O ATOM 241 C5 DT A 8 -3.474 1.094 21.411 1.00 0.00 C ATOM 242 C7 DT A 8 -3.430 2.468 22.052 1.00 0.00 C ATOM 243 C6 DT A 8 -4.684 0.551 21.122 1.00 0.00 C ATOM 0 H5' DT A 8 -8.715 1.098 18.266 1.00 0.00 H new ATOM 0 H5'' DT A 8 -10.006 0.613 19.348 1.00 0.00 H new ATOM 0 H4' DT A 8 -8.623 -1.278 18.856 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.933 -0.389 21.650 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.698 -0.710 22.256 1.00 0.00 H new ATOM 0 H2'' DT A 8 -6.949 -2.406 21.893 1.00 0.00 H new ATOM 0 H1' DT A 8 -5.946 -2.253 19.805 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.596 -1.438 20.371 1.00 0.00 H new ATOM 0 H71 DT A 8 -2.547 2.545 22.687 1.00 0.00 H new ATOM 0 H72 DT A 8 -3.386 3.231 21.275 1.00 0.00 H new ATOM 0 H73 DT A 8 -4.325 2.617 22.656 1.00 0.00 H new ATOM 0 H6 DT A 8 -5.583 1.107 21.344 1.00 0.00 H new HETATM 256 N1 5CM A 9 -4.176 -3.772 23.343 1.00 0.00 N HETATM 257 C2 5CM A 9 -2.786 -3.604 23.274 1.00 0.00 C HETATM 258 N3 5CM A 9 -2.212 -2.434 23.638 1.00 0.00 N HETATM 259 C4 5CM A 9 -2.989 -1.467 24.088 1.00 0.00 C HETATM 260 C5 5CM A 9 -4.421 -1.601 24.256 1.00 0.00 C HETATM 261 C5A 5CM A 9 -5.299 -0.495 24.830 1.00 0.00 C HETATM 262 C6 5CM A 9 -4.968 -2.784 23.880 1.00 0.00 C HETATM 263 O2 5CM A 9 -2.034 -4.506 22.911 1.00 0.00 O HETATM 264 N4 5CM A 9 -2.335 -0.372 24.383 1.00 0.00 N HETATM 265 C1' 5CM A 9 -4.766 -5.059 22.881 1.00 0.00 C HETATM 266 C2' 5CM A 9 -5.312 -5.898 24.043 1.00 0.00 C HETATM 267 C3' 5CM A 9 -6.807 -6.075 23.790 1.00 0.00 C HETATM 268 C4' 5CM A 9 -6.912 -5.706 22.305 1.00 0.00 C HETATM 269 O4' 5CM A 9 -5.855 -4.800 22.012 1.00 0.00 O HETATM 270 O3' 5CM A 9 -7.199 -7.428 24.025 1.00 0.00 O HETATM 271 C5' 5CM A 9 -8.270 -5.108 21.902 1.00 0.00 C HETATM 272 O5' 5CM A 9 -8.626 -3.981 22.697 1.00 0.00 O HETATM 273 P 5CM A 9 -9.817 -2.985 22.263 1.00 0.00 P HETATM 274 OP1 5CM A 9 -10.989 -3.805 21.862 1.00 0.00 O HETATM 275 OP2 5CM A 9 -9.991 -1.974 23.336 1.00 0.00 O HETATM 0 HN42 5CM A 9 -2.837 0.441 24.740 1.00 0.00 H new HETATM 0 HN41 5CM A 9 -1.324 -0.332 24.256 1.00 0.00 H new HETATM 0 H5A3 5CM A 9 -4.969 -0.256 25.841 1.00 0.00 H new HETATM 0 H5A2 5CM A 9 -5.221 0.393 24.203 1.00 0.00 H new HETATM 0 H5A1 5CM A 9 -6.336 -0.831 24.857 1.00 0.00 H new HETATM 0 H5'' 5CM A 9 -8.237 -4.813 20.853 1.00 0.00 H new HETATM 0 H2'' 5CM A 9 -4.810 -6.865 24.092 1.00 0.00 H new HETATM 0 H6 5CM A 9 -6.038 -2.952 24.004 1.00 0.00 H new HETATM 0 H5' 5CM A 9 -9.042 -5.872 21.994 1.00 0.00 H new HETATM 0 H4' 5CM A 9 -6.828 -6.623 21.721 1.00 0.00 H new HETATM 0 H3' 5CM A 9 -7.451 -5.477 24.435 1.00 0.00 H new HETATM 0 H2' 5CM A 9 -5.137 -5.399 24.996 1.00 0.00 H new HETATM 0 H1' 5CM A 9 -3.967 -5.607 22.382 1.00 0.00 H new HETATM 289 P 8OG A 10 -7.458 -8.008 25.514 1.00 0.00 P HETATM 290 OP1 8OG A 10 -7.900 -9.418 25.370 1.00 0.00 O HETATM 291 OP2 8OG A 10 -8.344 -7.060 26.234 1.00 0.00 O HETATM 292 O5' 8OG A 10 -6.019 -8.005 26.248 1.00 0.00 O HETATM 293 C5' 8OG A 10 -4.969 -8.895 25.872 1.00 0.00 C HETATM 294 C4' 8OG A 10 -3.610 -8.461 26.454 1.00 0.00 C HETATM 295 O4' 8OG A 10 -3.245 -7.148 26.005 1.00 0.00 O HETATM 296 C3' 8OG A 10 -3.606 -8.439 27.997 1.00 0.00 C HETATM 297 O3' 8OG A 10 -2.407 -8.959 28.557 1.00 0.00 O HETATM 298 C2' 8OG A 10 -3.617 -6.946 28.285 1.00 0.00 C HETATM 299 C1' 8OG A 10 -2.748 -6.452 27.134 1.00 0.00 C HETATM 300 N9 8OG A 10 -2.653 -4.971 27.015 1.00 0.00 N HETATM 301 C8 8OG A 10 -3.613 -3.990 27.155 1.00 0.00 C HETATM 302 N7 8OG A 10 -3.170 -2.778 27.155 1.00 0.00 N HETATM 303 C5 8OG A 10 -1.788 -2.924 27.092 1.00 0.00 C HETATM 304 C6 8OG A 10 -0.737 -1.949 27.128 1.00 0.00 C HETATM 305 O6 8OG A 10 -0.830 -0.726 27.190 1.00 0.00 O HETATM 306 N1 8OG A 10 0.522 -2.509 27.090 1.00 0.00 N HETATM 307 C2 8OG A 10 0.751 -3.845 27.015 1.00 0.00 C HETATM 308 N2 8OG A 10 1.998 -4.237 26.980 1.00 0.00 N HETATM 309 N3 8OG A 10 -0.197 -4.781 26.964 1.00 0.00 N HETATM 310 C4 8OG A 10 -1.462 -4.263 27.005 1.00 0.00 C HETATM 311 O8 8OG A 10 -4.819 -4.188 27.279 1.00 0.00 O HETATM 0 H5'' 8OG A 10 -5.206 -9.902 26.216 1.00 0.00 H new HETATM 0 H2'' 8OG A 10 -4.622 -6.524 28.261 1.00 0.00 H new HETATM 0 H7 8OG A 10 -3.709 -1.913 27.193 1.00 0.00 H new HETATM 0 H5' 8OG A 10 -4.901 -8.937 24.785 1.00 0.00 H new HETATM 0 H4' 8OG A 10 -2.894 -9.203 26.100 1.00 0.00 H new HETATM 0 H3' 8OG A 10 -4.425 -9.030 28.406 1.00 0.00 H new HETATM 0 H22 8OG A 10 2.219 -5.231 26.924 1.00 0.00 H new HETATM 0 H21 8OG A 10 2.750 -3.549 27.009 1.00 0.00 H new HETATM 0 H2' 8OG A 10 -3.194 -6.706 29.260 1.00 0.00 H new HETATM 0 H1' 8OG A 10 -1.691 -6.673 27.284 1.00 0.00 H new HETATM 0 H1 8OG A 10 1.327 -1.884 27.120 1.00 0.00 H new ATOM 323 P DC A 11 -2.179 -10.529 28.801 1.00 0.00 P ATOM 324 OP1 DC A 11 -2.115 -11.222 27.491 1.00 0.00 O ATOM 325 OP2 DC A 11 -3.156 -10.986 29.818 1.00 0.00 O ATOM 326 O5' DC A 11 -0.715 -10.523 29.477 1.00 0.00 O ATOM 327 C5' DC A 11 0.477 -10.408 28.702 1.00 0.00 C ATOM 328 C4' DC A 11 1.579 -9.592 29.404 1.00 0.00 C ATOM 329 O4' DC A 11 1.289 -8.197 29.334 1.00 0.00 O ATOM 330 C3' DC A 11 1.780 -9.965 30.885 1.00 0.00 C ATOM 331 O3' DC A 11 3.171 -10.150 31.141 1.00 0.00 O ATOM 332 C2' DC A 11 1.148 -8.758 31.589 1.00 0.00 C ATOM 333 C1' DC A 11 1.489 -7.628 30.615 1.00 0.00 C ATOM 334 N1 DC A 11 0.705 -6.354 30.714 1.00 0.00 N ATOM 335 C2 DC A 11 1.377 -5.143 30.470 1.00 0.00 C ATOM 336 O2 DC A 11 2.591 -5.091 30.269 1.00 0.00 O ATOM 337 N3 DC A 11 0.713 -3.960 30.461 1.00 0.00 N ATOM 338 C4 DC A 11 -0.574 -3.966 30.720 1.00 0.00 C ATOM 339 N4 DC A 11 -1.172 -2.812 30.657 1.00 0.00 N ATOM 340 C5 DC A 11 -1.307 -5.138 31.029 1.00 0.00 C ATOM 341 C6 DC A 11 -0.642 -6.321 31.006 1.00 0.00 C ATOM 0 H5' DC A 11 0.239 -9.939 27.747 1.00 0.00 H new ATOM 0 H5'' DC A 11 0.857 -11.405 28.481 1.00 0.00 H new ATOM 0 H4' DC A 11 2.499 -9.832 28.871 1.00 0.00 H new ATOM 0 H3' DC A 11 1.331 -10.900 31.221 1.00 0.00 H new ATOM 0 H2' DC A 11 0.072 -8.876 31.721 1.00 0.00 H new ATOM 0 H2'' DC A 11 1.574 -8.590 32.578 1.00 0.00 H new ATOM 0 H1' DC A 11 2.501 -7.296 30.846 1.00 0.00 H new ATOM 0 H41 DC A 11 -2.172 -2.745 30.847 1.00 0.00 H new ATOM 0 H42 DC A 11 -0.641 -1.975 30.418 1.00 0.00 H new ATOM 0 H5 DC A 11 -2.358 -5.092 31.274 1.00 0.00 H new ATOM 0 H6 DC A 11 -1.170 -7.239 31.217 1.00 0.00 H new ATOM 353 P DG A 12 3.768 -10.456 32.607 1.00 0.00 P ATOM 354 OP1 DG A 12 5.011 -11.250 32.436 1.00 0.00 O ATOM 355 OP2 DG A 12 2.691 -10.995 33.474 1.00 0.00 O ATOM 356 O5' DG A 12 4.164 -8.988 33.137 1.00 0.00 O ATOM 357 C5' DG A 12 5.279 -8.284 32.596 1.00 0.00 C ATOM 358 C4' DG A 12 5.505 -6.925 33.274 1.00 0.00 C ATOM 359 O4' DG A 12 4.444 -6.035 32.943 1.00 0.00 O ATOM 360 C3' DG A 12 5.570 -7.032 34.811 1.00 0.00 C ATOM 361 O3' DG A 12 6.656 -6.271 35.339 1.00 0.00 O ATOM 362 C2' DG A 12 4.245 -6.407 35.243 1.00 0.00 C ATOM 363 C1' DG A 12 4.046 -5.377 34.132 1.00 0.00 C ATOM 364 N9 DG A 12 2.653 -4.893 34.029 1.00 0.00 N ATOM 365 C8 DG A 12 1.490 -5.612 34.138 1.00 0.00 C ATOM 366 N7 DG A 12 0.402 -4.888 34.071 1.00 0.00 N ATOM 367 C5 DG A 12 0.888 -3.577 33.927 1.00 0.00 C ATOM 368 C6 DG A 12 0.215 -2.304 33.826 1.00 0.00 C ATOM 369 O6 DG A 12 -0.993 -2.051 33.823 1.00 0.00 O ATOM 370 N1 DG A 12 1.078 -1.232 33.735 1.00 0.00 N ATOM 371 C2 DG A 12 2.426 -1.343 33.751 1.00 0.00 C ATOM 372 N2 DG A 12 3.119 -0.240 33.682 1.00 0.00 N ATOM 373 N3 DG A 12 3.094 -2.489 33.836 1.00 0.00 N ATOM 374 C4 DG A 12 2.267 -3.577 33.915 1.00 0.00 C ATOM 0 H5' DG A 12 5.124 -8.132 31.528 1.00 0.00 H new ATOM 0 H5'' DG A 12 6.176 -8.894 32.704 1.00 0.00 H new ATOM 0 H4' DG A 12 6.463 -6.554 32.910 1.00 0.00 H new ATOM 0 H3' DG A 12 5.720 -8.054 35.158 1.00 0.00 H new ATOM 0 H2' DG A 12 3.436 -7.136 35.282 1.00 0.00 H new ATOM 0 H2'' DG A 12 4.306 -5.946 36.229 1.00 0.00 H new ATOM 0 HO3' DG A 12 6.671 -6.356 36.315 1.00 0.00 H new ATOM 0 H1' DG A 12 4.633 -4.481 34.333 1.00 0.00 H new ATOM 0 H8 DG A 12 1.474 -6.684 34.268 1.00 0.00 H new ATOM 0 H1 DG A 12 0.675 -0.299 33.650 1.00 0.00 H new ATOM 0 H21 DG A 12 4.138 -0.277 33.691 1.00 0.00 H new ATOM 0 H22 DG A 12 2.642 0.659 33.619 1.00 0.00 H new TER 387 DG A 12 ATOM 388 O5' DC B 13 0.425 9.400 33.843 1.00 0.00 O ATOM 389 C5' DC B 13 -0.027 8.065 34.067 1.00 0.00 C ATOM 390 C4' DC B 13 1.112 7.031 33.994 1.00 0.00 C ATOM 391 O4' DC B 13 0.559 5.743 34.263 1.00 0.00 O ATOM 392 C3' DC B 13 1.779 6.968 32.604 1.00 0.00 C ATOM 393 O3' DC B 13 3.177 6.726 32.747 1.00 0.00 O ATOM 394 C2' DC B 13 1.079 5.752 31.985 1.00 0.00 C ATOM 395 C1' DC B 13 0.962 4.867 33.227 1.00 0.00 C ATOM 396 N1 DC B 13 0.038 3.700 33.106 1.00 0.00 N ATOM 397 C2 DC B 13 0.542 2.414 33.352 1.00 0.00 C ATOM 398 O2 DC B 13 1.714 2.214 33.674 1.00 0.00 O ATOM 399 N3 DC B 13 -0.255 1.321 33.259 1.00 0.00 N ATOM 400 C4 DC B 13 -1.509 1.491 32.904 1.00 0.00 C ATOM 401 N4 DC B 13 -2.235 0.409 32.867 1.00 0.00 N ATOM 402 C5 DC B 13 -2.084 2.762 32.630 1.00 0.00 C ATOM 403 C6 DC B 13 -1.281 3.851 32.743 1.00 0.00 C ATOM 0 H5' DC B 13 -0.787 7.814 33.327 1.00 0.00 H new ATOM 0 H5'' DC B 13 -0.503 8.006 35.046 1.00 0.00 H new ATOM 0 H4' DC B 13 1.870 7.327 34.719 1.00 0.00 H new ATOM 0 H3' DC B 13 1.688 7.880 32.013 1.00 0.00 H new ATOM 0 H2' DC B 13 0.109 6.001 31.556 1.00 0.00 H new ATOM 0 H2'' DC B 13 1.668 5.288 31.194 1.00 0.00 H new ATOM 0 HO5' DC B 13 -0.335 10.016 33.898 1.00 0.00 H new ATOM 0 H1' DC B 13 1.921 4.384 33.414 1.00 0.00 H new ATOM 0 H41 DC B 13 -3.218 0.463 32.600 1.00 0.00 H new ATOM 0 H42 DC B 13 -1.820 -0.492 33.105 1.00 0.00 H new ATOM 0 H5 DC B 13 -3.121 2.858 32.343 1.00 0.00 H new ATOM 0 H6 DC B 13 -1.678 4.836 32.548 1.00 0.00 H new ATOM 416 P DG B 14 4.223 6.947 31.538 1.00 0.00 P ATOM 417 OP1 DG B 14 5.186 8.000 31.947 1.00 0.00 O ATOM 418 OP2 DG B 14 3.479 7.114 30.265 1.00 0.00 O ATOM 419 O5' DG B 14 4.990 5.530 31.467 1.00 0.00 O ATOM 420 C5' DG B 14 5.947 5.143 32.450 1.00 0.00 C ATOM 421 C4' DG B 14 6.754 3.888 32.065 1.00 0.00 C ATOM 422 O4' DG B 14 5.931 2.724 32.076 1.00 0.00 O ATOM 423 C3' DG B 14 7.407 3.985 30.676 1.00 0.00 C ATOM 424 O3' DG B 14 8.691 3.362 30.723 1.00 0.00 O ATOM 425 C2' DG B 14 6.378 3.264 29.804 1.00 0.00 C ATOM 426 C1' DG B 14 5.810 2.210 30.757 1.00 0.00 C ATOM 427 N9 DG B 14 4.391 1.869 30.504 1.00 0.00 N ATOM 428 C8 DG B 14 3.333 2.715 30.277 1.00 0.00 C ATOM 429 N7 DG B 14 2.177 2.116 30.159 1.00 0.00 N ATOM 430 C5 DG B 14 2.501 0.757 30.289 1.00 0.00 C ATOM 431 C6 DG B 14 1.685 -0.431 30.251 1.00 0.00 C ATOM 432 O6 DG B 14 0.464 -0.540 30.144 1.00 0.00 O ATOM 433 N1 DG B 14 2.408 -1.602 30.358 1.00 0.00 N ATOM 434 C2 DG B 14 3.750 -1.647 30.531 1.00 0.00 C ATOM 435 N2 DG B 14 4.301 -2.828 30.611 1.00 0.00 N ATOM 436 N3 DG B 14 4.540 -0.581 30.614 1.00 0.00 N ATOM 437 C4 DG B 14 3.858 0.599 30.475 1.00 0.00 C ATOM 0 H5' DG B 14 5.432 4.959 33.393 1.00 0.00 H new ATOM 0 H5'' DG B 14 6.636 5.970 32.619 1.00 0.00 H new ATOM 0 H4' DG B 14 7.541 3.817 32.816 1.00 0.00 H new ATOM 0 H3' DG B 14 7.612 4.987 30.298 1.00 0.00 H new ATOM 0 H2' DG B 14 5.605 3.943 29.444 1.00 0.00 H new ATOM 0 H2'' DG B 14 6.838 2.810 28.926 1.00 0.00 H new ATOM 0 H1' DG B 14 6.373 1.289 30.606 1.00 0.00 H new ATOM 0 H8 DG B 14 3.447 3.786 30.202 1.00 0.00 H new ATOM 0 H1 DG B 14 1.901 -2.486 30.304 1.00 0.00 H new ATOM 0 H21 DG B 14 5.309 -2.913 30.741 1.00 0.00 H new ATOM 0 H22 DG B 14 3.723 -3.666 30.543 1.00 0.00 H new HETATM 449 N1 5CM B 15 5.093 -0.216 27.138 1.00 0.00 N HETATM 450 C2 5CM B 15 3.974 -1.067 27.118 1.00 0.00 C HETATM 451 N3 5CM B 15 2.720 -0.567 26.998 1.00 0.00 N HETATM 452 C4 5CM B 15 2.579 0.738 26.839 1.00 0.00 C HETATM 453 C5 5CM B 15 3.689 1.665 26.789 1.00 0.00 C HETATM 454 C5A 5CM B 15 3.503 3.167 26.605 1.00 0.00 C HETATM 455 C6 5CM B 15 4.929 1.138 26.940 1.00 0.00 C HETATM 456 O2 5CM B 15 4.071 -2.290 27.212 1.00 0.00 O HETATM 457 N4 5CM B 15 1.330 1.132 26.774 1.00 0.00 N HETATM 458 C1' 5CM B 15 6.440 -0.790 27.431 1.00 0.00 C HETATM 459 C2' 5CM B 15 7.495 -0.570 26.346 1.00 0.00 C HETATM 460 C3' 5CM B 15 8.825 -0.634 27.113 1.00 0.00 C HETATM 461 C4' 5CM B 15 8.385 -0.464 28.578 1.00 0.00 C HETATM 462 O4' 5CM B 15 6.992 -0.181 28.579 1.00 0.00 O HETATM 463 O3' 5CM B 15 9.506 -1.874 26.954 1.00 0.00 O HETATM 464 C5' 5CM B 15 9.170 0.609 29.346 1.00 0.00 C HETATM 465 O5' 5CM B 15 9.119 1.878 28.705 1.00 0.00 O HETATM 466 P 5CM B 15 9.656 3.209 29.437 1.00 0.00 P HETATM 467 OP1 5CM B 15 11.030 2.945 29.932 1.00 0.00 O HETATM 468 OP2 5CM B 15 9.435 4.365 28.532 1.00 0.00 O HETATM 0 HN42 5CM B 15 1.113 2.121 26.652 1.00 0.00 H new HETATM 0 HN41 5CM B 15 0.576 0.449 26.846 1.00 0.00 H new HETATM 0 H5A3 5CM B 15 2.995 3.358 25.660 1.00 0.00 H new HETATM 0 H5A2 5CM B 15 2.904 3.563 27.425 1.00 0.00 H new HETATM 0 H5A1 5CM B 15 4.477 3.656 26.599 1.00 0.00 H new HETATM 0 H5'' 5CM B 15 8.768 0.698 30.355 1.00 0.00 H new HETATM 0 H2'' 5CM B 15 7.441 -1.337 25.573 1.00 0.00 H new HETATM 0 H6 5CM B 15 5.802 1.790 26.905 1.00 0.00 H new HETATM 0 H5' 5CM B 15 10.209 0.295 29.444 1.00 0.00 H new HETATM 0 H4' 5CM B 15 8.600 -1.391 29.109 1.00 0.00 H new HETATM 0 H3' 5CM B 15 9.529 0.118 26.756 1.00 0.00 H new HETATM 0 H2' 5CM B 15 7.365 0.392 25.850 1.00 0.00 H new HETATM 0 H1' 5CM B 15 6.241 -1.857 27.534 1.00 0.00 H new ATOM 482 P DG B 16 10.352 -2.231 25.625 1.00 0.00 P ATOM 483 OP1 DG B 16 11.337 -3.284 25.984 1.00 0.00 O ATOM 484 OP2 DG B 16 10.847 -0.974 25.010 1.00 0.00 O ATOM 485 O5' DG B 16 9.255 -2.873 24.636 1.00 0.00 O ATOM 486 C5' DG B 16 8.756 -4.188 24.849 1.00 0.00 C ATOM 487 C4' DG B 16 7.579 -4.537 23.928 1.00 0.00 C ATOM 488 O4' DG B 16 6.401 -3.825 24.299 1.00 0.00 O ATOM 489 C3' DG B 16 7.853 -4.247 22.438 1.00 0.00 C ATOM 490 O3' DG B 16 7.576 -5.430 21.699 1.00 0.00 O ATOM 491 C2' DG B 16 6.850 -3.128 22.149 1.00 0.00 C ATOM 492 C1' DG B 16 5.720 -3.512 23.099 1.00 0.00 C ATOM 493 N9 DG B 16 4.686 -2.471 23.314 1.00 0.00 N ATOM 494 C8 DG B 16 4.813 -1.103 23.357 1.00 0.00 C ATOM 495 N7 DG B 16 3.693 -0.465 23.587 1.00 0.00 N ATOM 496 C5 DG B 16 2.735 -1.490 23.646 1.00 0.00 C ATOM 497 C6 DG B 16 1.302 -1.462 23.817 1.00 0.00 C ATOM 498 O6 DG B 16 0.552 -0.506 24.015 1.00 0.00 O ATOM 499 N1 DG B 16 0.711 -2.705 23.712 1.00 0.00 N ATOM 500 C2 DG B 16 1.400 -3.851 23.499 1.00 0.00 C ATOM 501 N2 DG B 16 0.709 -4.945 23.339 1.00 0.00 N ATOM 502 N3 DG B 16 2.720 -3.935 23.369 1.00 0.00 N ATOM 503 C4 DG B 16 3.337 -2.715 23.447 1.00 0.00 C ATOM 0 H5' DG B 16 8.440 -4.287 25.887 1.00 0.00 H new ATOM 0 H5'' DG B 16 9.560 -4.906 24.690 1.00 0.00 H new ATOM 0 H4' DG B 16 7.440 -5.611 24.052 1.00 0.00 H new ATOM 0 H3' DG B 16 8.873 -3.961 22.182 1.00 0.00 H new ATOM 0 H2' DG B 16 7.257 -2.141 22.367 1.00 0.00 H new ATOM 0 H2'' DG B 16 6.530 -3.118 21.107 1.00 0.00 H new ATOM 0 H1' DG B 16 5.133 -4.332 22.685 1.00 0.00 H new ATOM 0 H8 DG B 16 5.756 -0.597 23.213 1.00 0.00 H new ATOM 0 H1 DG B 16 -0.304 -2.764 23.800 1.00 0.00 H new ATOM 0 H21 DG B 16 1.187 -5.831 23.176 1.00 0.00 H new ATOM 0 H22 DG B 16 -0.310 -4.915 23.377 1.00 0.00 H new ATOM 515 P DA B 17 8.016 -5.641 20.163 1.00 0.00 P ATOM 516 OP1 DA B 17 9.089 -6.666 20.119 1.00 0.00 O ATOM 517 OP2 DA B 17 8.244 -4.327 19.515 1.00 0.00 O ATOM 518 O5' DA B 17 6.666 -6.264 19.549 1.00 0.00 O ATOM 519 C5' DA B 17 6.209 -7.552 19.953 1.00 0.00 C ATOM 520 C4' DA B 17 4.808 -7.899 19.422 1.00 0.00 C ATOM 521 O4' DA B 17 3.833 -7.013 19.971 1.00 0.00 O ATOM 522 C3' DA B 17 4.717 -7.833 17.889 1.00 0.00 C ATOM 523 O3' DA B 17 3.932 -8.933 17.432 1.00 0.00 O ATOM 524 C2' DA B 17 4.104 -6.445 17.682 1.00 0.00 C ATOM 525 C1' DA B 17 3.238 -6.255 18.930 1.00 0.00 C ATOM 526 N9 DA B 17 3.114 -4.837 19.352 1.00 0.00 N ATOM 527 C8 DA B 17 4.093 -3.874 19.429 1.00 0.00 C ATOM 528 N7 DA B 17 3.668 -2.691 19.796 1.00 0.00 N ATOM 529 C5 DA B 17 2.288 -2.898 19.965 1.00 0.00 C ATOM 530 C6 DA B 17 1.193 -2.080 20.338 1.00 0.00 C ATOM 531 N6 DA B 17 1.275 -0.800 20.640 1.00 0.00 N ATOM 532 N1 DA B 17 -0.043 -2.574 20.417 1.00 0.00 N ATOM 533 C2 DA B 17 -0.223 -3.857 20.130 1.00 0.00 C ATOM 534 N3 DA B 17 0.693 -4.744 19.754 1.00 0.00 N ATOM 535 C4 DA B 17 1.944 -4.198 19.698 1.00 0.00 C ATOM 0 H5' DA B 17 6.199 -7.600 21.042 1.00 0.00 H new ATOM 0 H5'' DA B 17 6.917 -8.305 19.607 1.00 0.00 H new ATOM 0 H4' DA B 17 4.613 -8.926 19.731 1.00 0.00 H new ATOM 0 H3' DA B 17 5.645 -7.929 17.325 1.00 0.00 H new ATOM 0 H2' DA B 17 4.871 -5.674 17.603 1.00 0.00 H new ATOM 0 H2'' DA B 17 3.510 -6.399 16.769 1.00 0.00 H new ATOM 0 H1' DA B 17 2.225 -6.588 18.702 1.00 0.00 H new ATOM 0 H8 DA B 17 5.130 -4.077 19.205 1.00 0.00 H new ATOM 0 H61 DA B 17 0.435 -0.282 20.899 1.00 0.00 H new ATOM 0 H62 DA B 17 2.178 -0.327 20.615 1.00 0.00 H new ATOM 0 H2 DA B 17 -1.235 -4.225 20.212 1.00 0.00 H new ATOM 547 P DA B 18 3.400 -9.101 15.917 1.00 0.00 P ATOM 548 OP1 DA B 18 3.344 -10.553 15.616 1.00 0.00 O ATOM 549 OP2 DA B 18 4.177 -8.216 15.015 1.00 0.00 O ATOM 550 O5' DA B 18 1.893 -8.538 16.018 1.00 0.00 O ATOM 551 C5' DA B 18 0.910 -9.220 16.792 1.00 0.00 C ATOM 552 C4' DA B 18 -0.532 -8.752 16.526 1.00 0.00 C ATOM 553 O4' DA B 18 -0.725 -7.422 16.995 1.00 0.00 O ATOM 554 C3' DA B 18 -0.920 -8.802 15.040 1.00 0.00 C ATOM 555 O3' DA B 18 -2.261 -9.279 14.932 1.00 0.00 O ATOM 556 C2' DA B 18 -0.710 -7.345 14.613 1.00 0.00 C ATOM 557 C1' DA B 18 -0.997 -6.561 15.901 1.00 0.00 C ATOM 558 N9 DA B 18 -0.172 -5.339 16.062 1.00 0.00 N ATOM 559 C8 DA B 18 1.173 -5.168 15.836 1.00 0.00 C ATOM 560 N7 DA B 18 1.625 -3.972 16.120 1.00 0.00 N ATOM 561 C5 DA B 18 0.467 -3.294 16.536 1.00 0.00 C ATOM 562 C6 DA B 18 0.177 -1.977 16.971 1.00 0.00 C ATOM 563 N6 DA B 18 1.065 -1.011 17.118 1.00 0.00 N ATOM 564 N1 DA B 18 -1.069 -1.607 17.265 1.00 0.00 N ATOM 565 C2 DA B 18 -2.034 -2.513 17.163 1.00 0.00 C ATOM 566 N3 DA B 18 -1.917 -3.782 16.796 1.00 0.00 N ATOM 567 C4 DA B 18 -0.629 -4.116 16.493 1.00 0.00 C ATOM 0 H5' DA B 18 1.136 -9.083 17.850 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.978 -10.288 16.587 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.172 -9.449 17.068 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.348 -9.477 14.403 1.00 0.00 H new ATOM 0 H2' DA B 18 0.304 -7.172 14.253 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.387 -7.059 13.808 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.036 -6.234 15.856 1.00 0.00 H new ATOM 0 H8 DA B 18 1.806 -5.956 15.455 1.00 0.00 H new ATOM 0 H61 DA B 18 0.768 -0.089 17.437 1.00 0.00 H new ATOM 0 H62 DA B 18 2.048 -1.187 16.912 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.031 -2.177 17.408 1.00 0.00 H new ATOM 579 P DT B 19 -3.068 -9.371 13.536 1.00 0.00 P ATOM 580 OP1 DT B 19 -4.125 -10.402 13.693 1.00 0.00 O ATOM 581 OP2 DT B 19 -2.097 -9.508 12.423 1.00 0.00 O ATOM 582 O5' DT B 19 -3.777 -7.930 13.425 1.00 0.00 O ATOM 583 C5' DT B 19 -4.769 -7.527 14.363 1.00 0.00 C ATOM 584 C4' DT B 19 -5.084 -6.029 14.272 1.00 0.00 C ATOM 585 O4' DT B 19 -3.918 -5.258 14.517 1.00 0.00 O ATOM 586 C3' DT B 19 -5.624 -5.594 12.900 1.00 0.00 C ATOM 587 O3' DT B 19 -7.040 -5.433 12.957 1.00 0.00 O ATOM 588 C2' DT B 19 -4.888 -4.277 12.636 1.00 0.00 C ATOM 589 C1' DT B 19 -4.135 -3.991 13.932 1.00 0.00 C ATOM 590 N1 DT B 19 -2.852 -3.283 13.693 1.00 0.00 N ATOM 591 C2 DT B 19 -2.779 -1.924 14.014 1.00 0.00 C ATOM 592 O2 DT B 19 -3.739 -1.251 14.386 1.00 0.00 O ATOM 593 N3 DT B 19 -1.549 -1.327 13.886 1.00 0.00 N ATOM 594 C4 DT B 19 -0.401 -1.928 13.430 1.00 0.00 C ATOM 595 O4 DT B 19 0.637 -1.268 13.427 1.00 0.00 O ATOM 596 C5 DT B 19 -0.570 -3.318 13.002 1.00 0.00 C ATOM 597 C7 DT B 19 0.596 -4.088 12.408 1.00 0.00 C ATOM 598 C6 DT B 19 -1.771 -3.941 13.143 1.00 0.00 C ATOM 0 H5' DT B 19 -4.429 -7.764 15.371 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.681 -8.099 14.191 1.00 0.00 H new ATOM 0 H4' DT B 19 -5.854 -5.857 15.024 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.455 -6.318 12.103 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.204 -4.367 11.792 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.585 -3.474 12.397 1.00 0.00 H new ATOM 0 H1' DT B 19 -4.707 -3.328 14.582 1.00 0.00 H new ATOM 0 H3 DT B 19 -1.481 -0.345 14.155 1.00 0.00 H new ATOM 0 H71 DT B 19 0.487 -5.148 12.638 1.00 0.00 H new ATOM 0 H72 DT B 19 0.609 -3.951 11.327 1.00 0.00 H new ATOM 0 H73 DT B 19 1.530 -3.719 12.832 1.00 0.00 H new ATOM 0 H6 DT B 19 -1.880 -4.966 12.820 1.00 0.00 H new ATOM 611 P DT B 20 -7.946 -5.193 11.639 1.00 0.00 P ATOM 612 OP1 DT B 20 -9.344 -5.554 11.983 1.00 0.00 O ATOM 613 OP2 DT B 20 -7.301 -5.868 10.486 1.00 0.00 O ATOM 614 O5' DT B 20 -7.881 -3.602 11.388 1.00 0.00 O ATOM 615 C5' DT B 20 -8.518 -2.684 12.274 1.00 0.00 C ATOM 616 C4' DT B 20 -8.117 -1.228 11.989 1.00 0.00 C ATOM 617 O4' DT B 20 -6.727 -1.053 12.218 1.00 0.00 O ATOM 618 C3' DT B 20 -8.428 -0.786 10.548 1.00 0.00 C ATOM 619 O3' DT B 20 -9.504 0.151 10.553 1.00 0.00 O ATOM 620 C2' DT B 20 -7.109 -0.160 10.075 1.00 0.00 C ATOM 621 C1' DT B 20 -6.243 -0.067 11.330 1.00 0.00 C ATOM 622 N1 DT B 20 -4.803 -0.322 11.054 1.00 0.00 N ATOM 623 C2 DT B 20 -3.875 0.694 11.314 1.00 0.00 C ATOM 624 O2 DT B 20 -4.177 1.814 11.722 1.00 0.00 O ATOM 625 N3 DT B 20 -2.555 0.401 11.066 1.00 0.00 N ATOM 626 C4 DT B 20 -2.072 -0.777 10.544 1.00 0.00 C ATOM 627 O4 DT B 20 -0.859 -0.899 10.393 1.00 0.00 O ATOM 628 C5 DT B 20 -3.099 -1.773 10.232 1.00 0.00 C ATOM 629 C7 DT B 20 -2.728 -3.102 9.601 1.00 0.00 C ATOM 630 C6 DT B 20 -4.407 -1.519 10.494 1.00 0.00 C ATOM 0 H5' DT B 20 -8.259 -2.936 13.303 1.00 0.00 H new ATOM 0 H5'' DT B 20 -9.599 -2.785 12.183 1.00 0.00 H new ATOM 0 H4' DT B 20 -8.709 -0.612 12.666 1.00 0.00 H new ATOM 0 H3' DT B 20 -8.748 -1.595 9.891 1.00 0.00 H new ATOM 0 H2' DT B 20 -6.632 -0.774 9.311 1.00 0.00 H new ATOM 0 H2'' DT B 20 -7.274 0.824 9.636 1.00 0.00 H new ATOM 0 H1' DT B 20 -6.306 0.941 11.740 1.00 0.00 H new ATOM 0 H3 DT B 20 -1.870 1.123 11.290 1.00 0.00 H new ATOM 0 H71 DT B 20 -1.840 -2.976 8.982 1.00 0.00 H new ATOM 0 H72 DT B 20 -2.524 -3.832 10.384 1.00 0.00 H new ATOM 0 H73 DT B 20 -3.554 -3.454 8.983 1.00 0.00 H new ATOM 0 H6 DT B 20 -5.150 -2.267 10.260 1.00 0.00 H new HETATM 643 N1 5CM B 21 -4.875 2.754 8.199 1.00 0.00 N HETATM 644 C2 5CM B 21 -3.485 2.904 8.306 1.00 0.00 C HETATM 645 N3 5CM B 21 -2.654 1.888 7.978 1.00 0.00 N HETATM 646 C4 5CM B 21 -3.181 0.765 7.529 1.00 0.00 C HETATM 647 C5 5CM B 21 -4.600 0.572 7.325 1.00 0.00 C HETATM 648 C5A 5CM B 21 -5.192 -0.712 6.754 1.00 0.00 C HETATM 649 C6 5CM B 21 -5.409 1.606 7.664 1.00 0.00 C HETATM 650 O2 5CM B 21 -2.965 3.957 8.670 1.00 0.00 O HETATM 651 N4 5CM B 21 -2.288 -0.155 7.268 1.00 0.00 N HETATM 652 C1' 5CM B 21 -5.750 3.884 8.616 1.00 0.00 C HETATM 653 C2' 5CM B 21 -6.442 4.553 7.422 1.00 0.00 C HETATM 654 C3' 5CM B 21 -7.944 4.396 7.643 1.00 0.00 C HETATM 655 C4' 5CM B 21 -7.999 4.038 9.134 1.00 0.00 C HETATM 656 O4' 5CM B 21 -6.771 3.405 9.472 1.00 0.00 O HETATM 657 O3' 5CM B 21 -8.620 5.623 7.371 1.00 0.00 O HETATM 658 C5' 5CM B 21 -9.192 3.151 9.526 1.00 0.00 C HETATM 659 O5' 5CM B 21 -9.253 1.952 8.758 1.00 0.00 O HETATM 660 P 5CM B 21 -10.189 0.715 9.199 1.00 0.00 P HETATM 661 OP1 5CM B 21 -11.527 1.247 9.560 1.00 0.00 O HETATM 662 OP2 5CM B 21 -10.100 -0.331 8.150 1.00 0.00 O HETATM 0 HN42 5CM B 21 -2.582 -1.066 6.915 1.00 0.00 H new HETATM 0 HN41 5CM B 21 -1.298 0.038 7.418 1.00 0.00 H new HETATM 0 H5A3 5CM B 21 -4.789 -0.887 5.757 1.00 0.00 H new HETATM 0 H5A2 5CM B 21 -4.935 -1.550 7.401 1.00 0.00 H new HETATM 0 H5A1 5CM B 21 -6.276 -0.618 6.696 1.00 0.00 H new HETATM 0 H5'' 5CM B 21 -9.121 2.898 10.584 1.00 0.00 H new HETATM 0 H2'' 5CM B 21 -6.168 5.606 7.356 1.00 0.00 H new HETATM 0 H6 5CM B 21 -6.485 1.527 7.512 1.00 0.00 H new HETATM 0 H5' 5CM B 21 -10.117 3.712 9.393 1.00 0.00 H new HETATM 0 H4' 5CM B 21 -8.143 4.961 9.695 1.00 0.00 H new HETATM 0 H3' 5CM B 21 -8.424 3.659 7.000 1.00 0.00 H new HETATM 0 H2' 5CM B 21 -6.137 4.085 6.486 1.00 0.00 H new HETATM 0 H1' 5CM B 21 -5.108 4.610 9.115 1.00 0.00 H new HETATM 676 P 8OG B 22 -8.961 6.107 5.864 1.00 0.00 P HETATM 677 OP1 8OG B 22 -9.710 7.385 5.966 1.00 0.00 O HETATM 678 OP2 8OG B 22 -9.593 4.974 5.143 1.00 0.00 O HETATM 679 O5' 8OG B 22 -7.538 6.415 5.162 1.00 0.00 O HETATM 680 C5' 8OG B 22 -6.725 7.525 5.537 1.00 0.00 C HETATM 681 C4' 8OG B 22 -5.288 7.400 4.993 1.00 0.00 C HETATM 682 O4' 8OG B 22 -4.647 6.214 5.482 1.00 0.00 O HETATM 683 C3' 8OG B 22 -5.242 7.348 3.452 1.00 0.00 C HETATM 684 O3' 8OG B 22 -4.171 8.106 2.901 1.00 0.00 O HETATM 685 C2' 8OG B 22 -4.918 5.883 3.203 1.00 0.00 C HETATM 686 C1' 8OG B 22 -3.982 5.622 4.380 1.00 0.00 C HETATM 687 N9 8OG B 22 -3.557 4.205 4.537 1.00 0.00 N HETATM 688 C8 8OG B 22 -4.265 3.028 4.399 1.00 0.00 C HETATM 689 N7 8OG B 22 -3.559 1.948 4.438 1.00 0.00 N HETATM 690 C5 8OG B 22 -2.248 2.408 4.529 1.00 0.00 C HETATM 691 C6 8OG B 22 -1.002 1.698 4.539 1.00 0.00 C HETATM 692 O6 8OG B 22 -0.811 0.485 4.506 1.00 0.00 O HETATM 693 N1 8OG B 22 0.095 2.532 4.590 1.00 0.00 N HETATM 694 C2 8OG B 22 0.011 3.885 4.636 1.00 0.00 C HETATM 695 N2 8OG B 22 1.135 4.555 4.687 1.00 0.00 N HETATM 696 N3 8OG B 22 -1.126 4.581 4.645 1.00 0.00 N HETATM 697 C4 8OG B 22 -2.238 3.787 4.590 1.00 0.00 C HETATM 698 O8 8OG B 22 -5.481 2.943 4.242 1.00 0.00 O HETATM 0 H5'' 8OG B 22 -7.175 8.445 5.165 1.00 0.00 H new HETATM 0 H2'' 8OG B 22 -5.805 5.249 3.226 1.00 0.00 H new HETATM 0 H7 8OG B 22 -3.886 0.982 4.409 1.00 0.00 H new HETATM 0 H5' 8OG B 22 -6.696 7.602 6.624 1.00 0.00 H new HETATM 0 H4' 8OG B 22 -4.767 8.292 5.342 1.00 0.00 H new HETATM 0 H3' 8OG B 22 -6.160 7.737 3.012 1.00 0.00 H new HETATM 0 H22 8OG B 22 1.120 5.574 4.723 1.00 0.00 H new HETATM 0 H21 8OG B 22 2.025 4.058 4.691 1.00 0.00 H new HETATM 0 H2' 8OG B 22 -4.434 5.720 2.240 1.00 0.00 H new HETATM 0 H1' 8OG B 22 -2.998 6.071 4.241 1.00 0.00 H new HETATM 0 H1 8OG B 22 1.022 2.107 4.593 1.00 0.00 H new ATOM 710 P DC B 23 -4.285 9.681 2.617 1.00 0.00 P ATOM 711 OP1 DC B 23 -4.393 10.403 3.908 1.00 0.00 O ATOM 712 OP2 DC B 23 -5.325 9.891 1.579 1.00 0.00 O ATOM 713 O5' DC B 23 -2.847 9.979 1.951 1.00 0.00 O ATOM 714 C5' DC B 23 -1.670 10.160 2.738 1.00 0.00 C ATOM 715 C4' DC B 23 -0.404 9.585 2.074 1.00 0.00 C ATOM 716 O4' DC B 23 -0.382 8.163 2.191 1.00 0.00 O ATOM 717 C3' DC B 23 -0.265 9.943 0.582 1.00 0.00 C ATOM 718 O3' DC B 23 1.052 10.430 0.329 1.00 0.00 O ATOM 719 C2' DC B 23 -0.589 8.603 -0.086 1.00 0.00 C ATOM 720 C1' DC B 23 -0.025 7.613 0.936 1.00 0.00 C ATOM 721 N1 DC B 23 -0.497 6.191 0.869 1.00 0.00 N ATOM 722 C2 DC B 23 0.429 5.173 1.152 1.00 0.00 C ATOM 723 O2 DC B 23 1.622 5.404 1.357 1.00 0.00 O ATOM 724 N3 DC B 23 0.050 3.872 1.198 1.00 0.00 N ATOM 725 C4 DC B 23 -1.202 3.578 0.929 1.00 0.00 C ATOM 726 N4 DC B 23 -1.527 2.322 1.030 1.00 0.00 N ATOM 727 C5 DC B 23 -2.176 4.543 0.577 1.00 0.00 C ATOM 728 C6 DC B 23 -1.796 5.846 0.567 1.00 0.00 C ATOM 0 H5' DC B 23 -1.812 9.684 3.708 1.00 0.00 H new ATOM 0 H5'' DC B 23 -1.524 11.224 2.923 1.00 0.00 H new ATOM 0 H4' DC B 23 0.431 10.041 2.605 1.00 0.00 H new ATOM 0 H3' DC B 23 -0.911 10.739 0.213 1.00 0.00 H new ATOM 0 H2' DC B 23 -1.660 8.469 -0.240 1.00 0.00 H new ATOM 0 H2'' DC B 23 -0.112 8.504 -1.061 1.00 0.00 H new ATOM 0 H1' DC B 23 1.042 7.514 0.738 1.00 0.00 H new ATOM 0 H41 DC B 23 -2.483 2.025 0.835 1.00 0.00 H new ATOM 0 H42 DC B 23 -0.825 1.634 1.304 1.00 0.00 H new ATOM 0 H5 DC B 23 -3.185 4.253 0.325 1.00 0.00 H new ATOM 0 H6 DC B 23 -2.514 6.614 0.322 1.00 0.00 H new ATOM 740 P DG B 24 1.567 10.857 -1.139 1.00 0.00 P ATOM 741 OP1 DG B 24 2.574 11.933 -0.973 1.00 0.00 O ATOM 742 OP2 DG B 24 0.396 11.104 -2.017 1.00 0.00 O ATOM 743 O5' DG B 24 2.314 9.525 -1.652 1.00 0.00 O ATOM 744 C5' DG B 24 3.578 9.138 -1.123 1.00 0.00 C ATOM 745 C4' DG B 24 4.133 7.865 -1.781 1.00 0.00 C ATOM 746 O4' DG B 24 3.345 6.740 -1.403 1.00 0.00 O ATOM 747 C3' DG B 24 4.133 7.944 -3.324 1.00 0.00 C ATOM 748 O3' DG B 24 5.354 7.464 -3.885 1.00 0.00 O ATOM 749 C2' DG B 24 3.002 6.987 -3.701 1.00 0.00 C ATOM 750 C1' DG B 24 3.102 5.971 -2.566 1.00 0.00 C ATOM 751 N9 DG B 24 1.884 5.146 -2.412 1.00 0.00 N ATOM 752 C8 DG B 24 0.572 5.537 -2.505 1.00 0.00 C ATOM 753 N7 DG B 24 -0.289 4.560 -2.387 1.00 0.00 N ATOM 754 C5 DG B 24 0.522 3.424 -2.224 1.00 0.00 C ATOM 755 C6 DG B 24 0.203 2.026 -2.075 1.00 0.00 C ATOM 756 O6 DG B 24 -0.898 1.471 -2.034 1.00 0.00 O ATOM 757 N1 DG B 24 1.314 1.214 -1.981 1.00 0.00 N ATOM 758 C2 DG B 24 2.588 1.667 -2.038 1.00 0.00 C ATOM 759 N2 DG B 24 3.542 0.779 -1.966 1.00 0.00 N ATOM 760 N3 DG B 24 2.937 2.944 -2.170 1.00 0.00 N ATOM 761 C4 DG B 24 1.855 3.780 -2.253 1.00 0.00 C ATOM 0 H5' DG B 24 3.483 8.975 -0.049 1.00 0.00 H new ATOM 0 H5'' DG B 24 4.289 9.952 -1.260 1.00 0.00 H new ATOM 0 H4' DG B 24 5.162 7.764 -1.437 1.00 0.00 H new ATOM 0 H3' DG B 24 4.016 8.966 -3.686 1.00 0.00 H new ATOM 0 H2' DG B 24 2.032 7.483 -3.728 1.00 0.00 H new ATOM 0 H2'' DG B 24 3.154 6.531 -4.679 1.00 0.00 H new ATOM 0 HO3' DG B 24 5.313 7.529 -4.862 1.00 0.00 H new ATOM 0 H1' DG B 24 3.895 5.251 -2.768 1.00 0.00 H new ATOM 0 H8 DG B 24 0.276 6.564 -2.662 1.00 0.00 H new ATOM 0 H1 DG B 24 1.167 0.212 -1.861 1.00 0.00 H new ATOM 0 H21 DG B 24 4.518 1.074 -2.005 1.00 0.00 H new ATOM 0 H22 DG B 24 3.312 -0.210 -1.871 1.00 0.00 H new TER 774 DG B 24