USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.74! (180deg=-1.74!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.63! (180deg=-1.63!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.341 -8.696 -2.145 1.00 0.00 O ATOM 2 C5' DC A 1 4.041 -9.172 -0.850 1.00 0.00 C ATOM 3 C4' DC A 1 4.243 -8.058 0.184 1.00 0.00 C ATOM 4 O4' DC A 1 3.301 -7.011 -0.014 1.00 0.00 O ATOM 5 C3' DC A 1 3.976 -8.538 1.619 1.00 0.00 C ATOM 6 O3' DC A 1 5.028 -9.171 2.344 1.00 0.00 O ATOM 7 C2' DC A 1 3.418 -7.274 2.317 1.00 0.00 C ATOM 8 C1' DC A 1 3.258 -6.248 1.180 1.00 0.00 C ATOM 9 N1 DC A 1 2.046 -5.387 1.297 1.00 0.00 N ATOM 10 C2 DC A 1 2.137 -3.989 1.305 1.00 0.00 C ATOM 11 O2 DC A 1 3.217 -3.411 1.210 1.00 0.00 O ATOM 12 N3 DC A 1 0.985 -3.262 1.423 1.00 0.00 N ATOM 13 C4 DC A 1 -0.210 -3.865 1.532 1.00 0.00 C ATOM 14 N4 DC A 1 -1.312 -3.118 1.662 1.00 0.00 N ATOM 15 C5 DC A 1 -0.326 -5.294 1.481 1.00 0.00 C ATOM 16 C6 DC A 1 0.827 -5.990 1.360 1.00 0.00 C ATOM 0 H5' DC A 1 4.680 -10.021 -0.610 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.011 -9.528 -0.815 1.00 0.00 H new ATOM 0 H4' DC A 1 5.276 -7.735 0.056 1.00 0.00 H new ATOM 0 H3' DC A 1 3.293 -9.387 1.587 1.00 0.00 H new ATOM 0 H2' DC A 1 2.465 -7.478 2.805 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.100 -6.911 3.087 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.210 -9.416 -2.797 1.00 0.00 H new ATOM 0 H1' DC A 1 4.058 -5.508 1.210 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.225 -3.566 1.746 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.240 -2.101 1.678 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.285 -5.788 1.536 1.00 0.00 H new ATOM 0 H6 DC A 1 0.779 -7.068 1.311 1.00 0.00 H new ATOM 29 P DG A 2 6.561 -8.642 2.477 1.00 0.00 P ATOM 30 OP1 DG A 2 7.180 -8.672 1.134 1.00 0.00 O ATOM 31 OP2 DG A 2 7.186 -9.422 3.568 1.00 0.00 O ATOM 32 O5' DG A 2 6.493 -7.104 2.981 1.00 0.00 O ATOM 33 C5' DG A 2 7.041 -6.054 2.206 1.00 0.00 C ATOM 34 C4' DG A 2 7.055 -4.713 2.922 1.00 0.00 C ATOM 35 O4' DG A 2 5.751 -4.162 2.881 1.00 0.00 O ATOM 36 C3' DG A 2 7.527 -4.762 4.385 1.00 0.00 C ATOM 37 O3' DG A 2 8.498 -3.746 4.530 1.00 0.00 O ATOM 38 C2' DG A 2 6.186 -4.541 5.082 1.00 0.00 C ATOM 39 C1' DG A 2 5.532 -3.556 4.126 1.00 0.00 C ATOM 40 N9 DG A 2 4.087 -3.374 4.392 1.00 0.00 N ATOM 41 C8 DG A 2 3.185 -4.320 4.807 1.00 0.00 C ATOM 42 N7 DG A 2 1.946 -3.922 4.807 1.00 0.00 N ATOM 43 C5 DG A 2 2.031 -2.594 4.409 1.00 0.00 C ATOM 44 C6 DG A 2 0.996 -1.633 4.227 1.00 0.00 C ATOM 45 O6 DG A 2 -0.215 -1.825 4.258 1.00 0.00 O ATOM 46 N1 DG A 2 1.490 -0.353 3.991 1.00 0.00 N ATOM 47 C2 DG A 2 2.832 -0.057 3.838 1.00 0.00 C ATOM 48 N2 DG A 2 3.148 1.226 3.627 1.00 0.00 N ATOM 49 N3 DG A 2 3.804 -0.985 3.898 1.00 0.00 N ATOM 50 C4 DG A 2 3.342 -2.230 4.203 1.00 0.00 C ATOM 0 H5' DG A 2 6.469 -5.958 1.283 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.060 -6.316 1.923 1.00 0.00 H new ATOM 0 H4' DG A 2 7.784 -4.099 2.394 1.00 0.00 H new ATOM 0 H3' DG A 2 8.021 -5.652 4.775 1.00 0.00 H new ATOM 0 H2' DG A 2 5.614 -5.464 5.181 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.303 -4.129 6.084 1.00 0.00 H new ATOM 0 H1' DG A 2 5.942 -2.549 4.210 1.00 0.00 H new ATOM 0 H8 DG A 2 3.479 -5.314 5.109 1.00 0.00 H new ATOM 0 H1 DG A 2 0.821 0.414 3.927 1.00 0.00 H new ATOM 0 H21 DG A 2 4.124 1.498 3.508 1.00 0.00 H new ATOM 0 H22 DG A 2 2.413 1.932 3.586 1.00 0.00 H new ATOM 62 P DC A 3 9.030 -3.220 5.950 1.00 0.00 P ATOM 63 OP1 DC A 3 10.476 -2.930 5.834 1.00 0.00 O ATOM 64 OP2 DC A 3 8.533 -4.099 7.032 1.00 0.00 O ATOM 65 O5' DC A 3 8.223 -1.831 5.989 1.00 0.00 O ATOM 66 C5' DC A 3 8.496 -0.815 5.041 1.00 0.00 C ATOM 67 C4' DC A 3 7.772 0.473 5.420 1.00 0.00 C ATOM 68 O4' DC A 3 6.375 0.280 5.323 1.00 0.00 O ATOM 69 C3' DC A 3 8.113 0.924 6.848 1.00 0.00 C ATOM 70 O3' DC A 3 8.627 2.243 6.768 1.00 0.00 O ATOM 71 C2' DC A 3 6.791 0.782 7.579 1.00 0.00 C ATOM 72 C1' DC A 3 5.755 0.828 6.466 1.00 0.00 C ATOM 73 N1 DC A 3 4.603 -0.031 6.838 1.00 0.00 N ATOM 74 C2 DC A 3 3.337 0.527 7.007 1.00 0.00 C ATOM 75 O2 DC A 3 3.134 1.727 6.846 1.00 0.00 O ATOM 76 N3 DC A 3 2.313 -0.302 7.357 1.00 0.00 N ATOM 77 C4 DC A 3 2.508 -1.610 7.576 1.00 0.00 C ATOM 78 N4 DC A 3 1.460 -2.387 7.860 1.00 0.00 N ATOM 79 C5 DC A 3 3.814 -2.186 7.468 1.00 0.00 C ATOM 80 C6 DC A 3 4.810 -1.369 7.070 1.00 0.00 C ATOM 0 H5' DC A 3 8.180 -1.139 4.049 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.570 -0.635 4.990 1.00 0.00 H new ATOM 0 H4' DC A 3 8.101 1.249 4.729 1.00 0.00 H new ATOM 0 H3' DC A 3 8.878 0.355 7.376 1.00 0.00 H new ATOM 0 H2' DC A 3 6.740 -0.154 8.135 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.642 1.588 8.298 1.00 0.00 H new ATOM 0 H1' DC A 3 5.404 1.845 6.290 1.00 0.00 H new ATOM 0 H41 DC A 3 1.595 -3.384 8.029 1.00 0.00 H new ATOM 0 H42 DC A 3 0.524 -1.984 7.908 1.00 0.00 H new ATOM 0 H5 DC A 3 3.993 -3.227 7.695 1.00 0.00 H new ATOM 0 H6 DC A 3 5.799 -1.778 6.930 1.00 0.00 H new ATOM 92 P DT A 4 9.015 3.117 8.063 1.00 0.00 P ATOM 93 OP1 DT A 4 9.860 4.249 7.622 1.00 0.00 O ATOM 94 OP2 DT A 4 9.497 2.205 9.125 1.00 0.00 O ATOM 95 O5' DT A 4 7.581 3.698 8.504 1.00 0.00 O ATOM 96 C5' DT A 4 6.793 4.482 7.626 1.00 0.00 C ATOM 97 C4' DT A 4 5.527 4.954 8.348 1.00 0.00 C ATOM 98 O4' DT A 4 4.648 3.861 8.540 1.00 0.00 O ATOM 99 C3' DT A 4 5.818 5.587 9.713 1.00 0.00 C ATOM 100 O3' DT A 4 5.388 6.938 9.727 1.00 0.00 O ATOM 101 C2' DT A 4 5.066 4.675 10.686 1.00 0.00 C ATOM 102 C1' DT A 4 4.031 3.980 9.805 1.00 0.00 C ATOM 103 N1 DT A 4 3.629 2.617 10.270 1.00 0.00 N ATOM 104 C2 DT A 4 2.268 2.312 10.334 1.00 0.00 C ATOM 105 O2 DT A 4 1.381 3.159 10.276 1.00 0.00 O ATOM 106 N3 DT A 4 1.945 0.969 10.470 1.00 0.00 N ATOM 107 C4 DT A 4 2.835 -0.091 10.548 1.00 0.00 C ATOM 108 O4 DT A 4 2.405 -1.239 10.657 1.00 0.00 O ATOM 109 C5 DT A 4 4.235 0.302 10.489 1.00 0.00 C ATOM 110 C7 DT A 4 5.332 -0.758 10.477 1.00 0.00 C ATOM 111 C6 DT A 4 4.569 1.614 10.369 1.00 0.00 C ATOM 0 H5' DT A 4 6.525 3.899 6.745 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.366 5.341 7.277 1.00 0.00 H new ATOM 0 H4' DT A 4 5.075 5.717 7.714 1.00 0.00 H new ATOM 0 H3' DT A 4 6.874 5.647 9.976 1.00 0.00 H new ATOM 0 H2' DT A 4 5.735 3.957 11.160 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.593 5.246 11.485 1.00 0.00 H new ATOM 0 H1' DT A 4 3.113 4.567 9.813 1.00 0.00 H new ATOM 0 H3 DT A 4 0.952 0.739 10.517 1.00 0.00 H new ATOM 0 H71 DT A 4 6.193 -0.384 9.923 1.00 0.00 H new ATOM 0 H72 DT A 4 5.630 -0.985 11.501 1.00 0.00 H new ATOM 0 H73 DT A 4 4.958 -1.663 9.999 1.00 0.00 H new ATOM 0 H6 DT A 4 5.615 1.882 10.350 1.00 0.00 H new ATOM 124 P DA A 5 5.532 7.881 11.033 1.00 0.00 P ATOM 125 OP1 DA A 5 5.712 9.279 10.582 1.00 0.00 O ATOM 126 OP2 DA A 5 6.509 7.273 11.964 1.00 0.00 O ATOM 127 O5' DA A 5 4.061 7.738 11.671 1.00 0.00 O ATOM 128 C5' DA A 5 2.940 8.242 10.978 1.00 0.00 C ATOM 129 C4' DA A 5 1.636 7.864 11.657 1.00 0.00 C ATOM 130 O4' DA A 5 1.503 6.464 11.753 1.00 0.00 O ATOM 131 C3' DA A 5 1.499 8.471 13.058 1.00 0.00 C ATOM 132 O3' DA A 5 0.379 9.332 12.996 1.00 0.00 O ATOM 133 C2' DA A 5 1.444 7.242 13.952 1.00 0.00 C ATOM 134 C1' DA A 5 0.939 6.164 13.010 1.00 0.00 C ATOM 135 N9 DA A 5 1.364 4.792 13.363 1.00 0.00 N ATOM 136 C8 DA A 5 2.631 4.301 13.570 1.00 0.00 C ATOM 137 N7 DA A 5 2.694 3.000 13.663 1.00 0.00 N ATOM 138 C5 DA A 5 1.372 2.596 13.516 1.00 0.00 C ATOM 139 C6 DA A 5 0.737 1.335 13.504 1.00 0.00 C ATOM 140 N6 DA A 5 1.401 0.179 13.620 1.00 0.00 N ATOM 141 N1 DA A 5 -0.602 1.300 13.362 1.00 0.00 N ATOM 142 C2 DA A 5 -1.269 2.442 13.204 1.00 0.00 C ATOM 143 N3 DA A 5 -0.788 3.676 13.151 1.00 0.00 N ATOM 144 C4 DA A 5 0.557 3.685 13.327 1.00 0.00 C ATOM 0 H5' DA A 5 2.942 7.859 9.958 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.013 9.328 10.911 1.00 0.00 H new ATOM 0 H4' DA A 5 0.844 8.273 11.030 1.00 0.00 H new ATOM 0 H3' DA A 5 2.290 9.108 13.454 1.00 0.00 H new ATOM 0 H2' DA A 5 2.424 6.995 14.361 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.772 7.387 14.798 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.150 6.169 13.044 1.00 0.00 H new ATOM 0 H8 DA A 5 3.500 4.937 13.649 1.00 0.00 H new ATOM 0 H61 DA A 5 0.892 -0.705 13.605 1.00 0.00 H new ATOM 0 H62 DA A 5 2.416 0.182 13.723 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.341 2.351 13.106 1.00 0.00 H new ATOM 156 P DG A 6 -0.177 10.139 14.261 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.912 11.332 13.785 1.00 0.00 O ATOM 158 OP2 DG A 6 0.893 10.270 15.275 1.00 0.00 O ATOM 159 O5' DG A 6 -1.229 9.045 14.751 1.00 0.00 O ATOM 160 C5' DG A 6 -2.356 8.702 13.967 1.00 0.00 C ATOM 161 C4' DG A 6 -3.072 7.537 14.644 1.00 0.00 C ATOM 162 O4' DG A 6 -2.308 6.336 14.505 1.00 0.00 O ATOM 163 C3' DG A 6 -3.234 7.833 16.146 1.00 0.00 C ATOM 164 O3' DG A 6 -4.568 7.673 16.581 1.00 0.00 O ATOM 165 C2' DG A 6 -2.266 6.810 16.709 1.00 0.00 C ATOM 166 C1' DG A 6 -2.390 5.660 15.740 1.00 0.00 C ATOM 167 N9 DG A 6 -1.354 4.640 16.031 1.00 0.00 N ATOM 168 C8 DG A 6 -0.020 4.802 16.328 1.00 0.00 C ATOM 169 N7 DG A 6 0.613 3.694 16.583 1.00 0.00 N ATOM 170 C5 DG A 6 -0.375 2.725 16.490 1.00 0.00 C ATOM 171 C6 DG A 6 -0.288 1.318 16.681 1.00 0.00 C ATOM 172 O6 DG A 6 0.723 0.651 16.877 1.00 0.00 O ATOM 173 N1 DG A 6 -1.533 0.699 16.623 1.00 0.00 N ATOM 174 C2 DG A 6 -2.723 1.350 16.367 1.00 0.00 C ATOM 175 N2 DG A 6 -3.839 0.614 16.390 1.00 0.00 N ATOM 176 N3 DG A 6 -2.798 2.670 16.137 1.00 0.00 N ATOM 177 C4 DG A 6 -1.593 3.299 16.215 1.00 0.00 C ATOM 0 H5' DG A 6 -2.047 8.424 12.959 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.026 9.556 13.871 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.047 7.411 14.172 1.00 0.00 H new ATOM 0 H3' DG A 6 -3.024 8.857 16.456 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.248 7.197 16.749 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.535 6.515 17.723 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.299 5.060 15.780 1.00 0.00 H new ATOM 0 H8 DG A 6 0.462 5.768 16.348 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.569 -0.308 16.781 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.742 1.051 16.207 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.787 -0.385 16.591 1.00 0.00 H new ATOM 189 P DC A 7 -5.001 7.863 18.132 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.294 8.582 18.170 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.851 8.372 18.913 1.00 0.00 O ATOM 192 O5' DC A 7 -5.259 6.325 18.541 1.00 0.00 O ATOM 193 C5' DC A 7 -6.157 5.563 17.766 1.00 0.00 C ATOM 194 C4' DC A 7 -6.480 4.177 18.314 1.00 0.00 C ATOM 195 O4' DC A 7 -5.376 3.317 18.123 1.00 0.00 O ATOM 196 C3' DC A 7 -6.894 4.181 19.786 1.00 0.00 C ATOM 197 O3' DC A 7 -8.076 3.409 19.926 1.00 0.00 O ATOM 198 C2' DC A 7 -5.662 3.575 20.427 1.00 0.00 C ATOM 199 C1' DC A 7 -5.074 2.682 19.341 1.00 0.00 C ATOM 200 N1 DC A 7 -3.596 2.623 19.478 1.00 0.00 N ATOM 201 C2 DC A 7 -2.948 1.413 19.745 1.00 0.00 C ATOM 202 O2 DC A 7 -3.572 0.362 19.869 1.00 0.00 O ATOM 203 N3 DC A 7 -1.588 1.422 19.866 1.00 0.00 N ATOM 204 C4 DC A 7 -0.886 2.561 19.747 1.00 0.00 C ATOM 205 N4 DC A 7 0.446 2.520 19.833 1.00 0.00 N ATOM 206 C5 DC A 7 -1.536 3.806 19.460 1.00 0.00 C ATOM 207 C6 DC A 7 -2.874 3.781 19.321 1.00 0.00 C ATOM 0 H5' DC A 7 -5.742 5.451 16.764 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.088 6.121 17.665 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.343 3.816 17.755 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.148 5.142 20.233 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.955 4.345 20.736 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.918 3.002 21.318 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.474 1.670 19.403 1.00 0.00 H new ATOM 0 H41 DC A 7 0.989 3.379 19.744 1.00 0.00 H new ATOM 0 H42 DC A 7 0.920 1.630 19.988 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.976 4.724 19.360 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.394 4.696 19.079 1.00 0.00 H new ATOM 219 P DG A 8 -8.868 3.266 21.326 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.208 2.705 21.045 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.744 4.536 22.076 1.00 0.00 O ATOM 222 O5' DG A 8 -8.005 2.144 22.089 1.00 0.00 O ATOM 223 C5' DG A 8 -7.870 0.839 21.562 1.00 0.00 C ATOM 224 C4' DG A 8 -6.946 -0.008 22.441 1.00 0.00 C ATOM 225 O4' DG A 8 -5.595 0.301 22.140 1.00 0.00 O ATOM 226 C3' DG A 8 -7.136 0.201 23.956 1.00 0.00 C ATOM 227 O3' DG A 8 -7.247 -1.036 24.629 1.00 0.00 O ATOM 228 C2' DG A 8 -5.842 0.898 24.357 1.00 0.00 C ATOM 229 C1' DG A 8 -4.879 0.282 23.353 1.00 0.00 C ATOM 230 N9 DG A 8 -3.592 1.001 23.244 1.00 0.00 N ATOM 231 C8 DG A 8 -3.346 2.351 23.193 1.00 0.00 C ATOM 232 N7 DG A 8 -2.083 2.652 23.054 1.00 0.00 N ATOM 233 C5 DG A 8 -1.442 1.417 23.015 1.00 0.00 C ATOM 234 C6 DG A 8 -0.057 1.092 22.870 1.00 0.00 C ATOM 235 O6 DG A 8 0.893 1.859 22.744 1.00 0.00 O ATOM 236 N1 DG A 8 0.174 -0.284 22.882 1.00 0.00 N ATOM 237 C2 DG A 8 -0.814 -1.238 23.029 1.00 0.00 C ATOM 238 N2 DG A 8 -0.432 -2.519 23.036 1.00 0.00 N ATOM 239 N3 DG A 8 -2.114 -0.936 23.151 1.00 0.00 N ATOM 240 C4 DG A 8 -2.361 0.402 23.134 1.00 0.00 C ATOM 0 H5' DG A 8 -7.470 0.890 20.549 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.850 0.366 21.494 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.204 -1.043 22.217 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.039 0.760 24.202 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.906 1.982 24.260 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.559 0.687 25.388 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.365 -0.877 25.589 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.579 -0.721 23.658 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.125 3.095 23.262 1.00 0.00 H new ATOM 0 H1 DG A 8 1.136 -0.607 22.775 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.127 -3.258 23.142 1.00 0.00 H new ATOM 0 H22 DG A 8 0.555 -2.757 22.935 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.862 -6.671 25.768 1.00 0.00 O ATOM 255 C5' DC B 1 7.345 -6.572 24.445 1.00 0.00 C ATOM 256 C4' DC B 1 6.177 -6.399 23.467 1.00 0.00 C ATOM 257 O4' DC B 1 5.519 -5.157 23.683 1.00 0.00 O ATOM 258 C3' DC B 1 6.644 -6.328 22.005 1.00 0.00 C ATOM 259 O3' DC B 1 6.851 -7.543 21.288 1.00 0.00 O ATOM 260 C2' DC B 1 5.610 -5.384 21.349 1.00 0.00 C ATOM 261 C1' DC B 1 4.754 -4.880 22.523 1.00 0.00 C ATOM 262 N1 DC B 1 4.350 -3.451 22.399 1.00 0.00 N ATOM 263 C2 DC B 1 3.003 -3.069 22.398 1.00 0.00 C ATOM 264 O2 DC B 1 2.099 -3.891 22.523 1.00 0.00 O ATOM 265 N3 DC B 1 2.702 -1.742 22.256 1.00 0.00 N ATOM 266 C4 DC B 1 3.669 -0.822 22.109 1.00 0.00 C ATOM 267 N4 DC B 1 3.332 0.462 21.948 1.00 0.00 N ATOM 268 C5 DC B 1 5.056 -1.191 22.149 1.00 0.00 C ATOM 269 C6 DC B 1 5.327 -2.507 22.299 1.00 0.00 C ATOM 0 H5' DC B 1 7.913 -7.466 24.190 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.027 -5.726 24.361 1.00 0.00 H new ATOM 0 H4' DC B 1 5.533 -7.261 23.640 1.00 0.00 H new ATOM 0 H3' DC B 1 7.673 -5.970 21.975 1.00 0.00 H new ATOM 0 H2' DC B 1 6.098 -4.559 20.830 1.00 0.00 H new ATOM 0 H2'' DC B 1 5.003 -5.910 20.612 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.616 -6.783 26.384 1.00 0.00 H new ATOM 0 H1' DC B 1 3.790 -5.389 22.556 1.00 0.00 H new ATOM 0 H41 DC B 1 4.058 1.170 21.835 1.00 0.00 H new ATOM 0 H42 DC B 1 2.349 0.734 21.938 1.00 0.00 H new ATOM 0 H5 DC B 1 5.842 -0.455 22.064 1.00 0.00 H new ATOM 0 H6 DC B 1 6.359 -2.822 22.341 1.00 0.00 H new ATOM 282 P DG B 2 5.826 -8.804 21.212 1.00 0.00 P ATOM 283 OP1 DG B 2 5.686 -9.372 22.571 1.00 0.00 O ATOM 284 OP2 DG B 2 6.307 -9.678 20.120 1.00 0.00 O ATOM 285 O5' DG B 2 4.391 -8.218 20.745 1.00 0.00 O ATOM 286 C5' DG B 2 3.237 -8.375 21.549 1.00 0.00 C ATOM 287 C4' DG B 2 1.954 -7.947 20.853 1.00 0.00 C ATOM 288 O4' DG B 2 1.853 -6.535 20.892 1.00 0.00 O ATOM 289 C3' DG B 2 1.830 -8.412 19.392 1.00 0.00 C ATOM 290 O3' DG B 2 0.547 -8.991 19.264 1.00 0.00 O ATOM 291 C2' DG B 2 2.057 -7.072 18.694 1.00 0.00 C ATOM 292 C1' DG B 2 1.336 -6.137 19.651 1.00 0.00 C ATOM 293 N9 DG B 2 1.621 -4.710 19.380 1.00 0.00 N ATOM 294 C8 DG B 2 2.798 -4.153 18.952 1.00 0.00 C ATOM 295 N7 DG B 2 2.808 -2.851 18.947 1.00 0.00 N ATOM 296 C5 DG B 2 1.525 -2.513 19.358 1.00 0.00 C ATOM 297 C6 DG B 2 0.935 -1.228 19.544 1.00 0.00 C ATOM 298 O6 DG B 2 1.490 -0.134 19.504 1.00 0.00 O ATOM 299 N1 DG B 2 -0.431 -1.302 19.798 1.00 0.00 N ATOM 300 C2 DG B 2 -1.128 -2.484 19.970 1.00 0.00 C ATOM 301 N2 DG B 2 -2.440 -2.387 20.206 1.00 0.00 N ATOM 302 N3 DG B 2 -0.548 -3.695 19.904 1.00 0.00 N ATOM 303 C4 DG B 2 0.772 -3.643 19.577 1.00 0.00 C ATOM 0 H5' DG B 2 3.358 -7.793 22.463 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.149 -9.420 21.846 1.00 0.00 H new ATOM 0 H4' DG B 2 1.144 -8.431 21.398 1.00 0.00 H new ATOM 0 H3' DG B 2 2.501 -9.173 18.994 1.00 0.00 H new ATOM 0 H2' DG B 2 3.115 -6.830 18.596 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.630 -7.049 17.691 1.00 0.00 H new ATOM 0 H1' DG B 2 0.251 -6.205 19.575 1.00 0.00 H new ATOM 0 H8 DG B 2 3.647 -4.745 18.644 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.952 -0.428 19.861 1.00 0.00 H new ATOM 0 H21 DG B 2 -2.998 -3.230 20.340 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.883 -1.470 20.252 1.00 0.00 H new ATOM 315 P DC B 3 -0.155 -9.304 17.855 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.912 -10.570 17.977 1.00 0.00 O ATOM 317 OP2 DC B 3 0.821 -9.127 16.757 1.00 0.00 O ATOM 318 O5' DC B 3 -1.195 -8.079 17.837 1.00 0.00 O ATOM 319 C5' DC B 3 -2.245 -8.007 18.785 1.00 0.00 C ATOM 320 C4' DC B 3 -3.200 -6.874 18.414 1.00 0.00 C ATOM 321 O4' DC B 3 -2.536 -5.629 18.477 1.00 0.00 O ATOM 322 C3' DC B 3 -3.799 -7.048 17.011 1.00 0.00 C ATOM 323 O3' DC B 3 -5.213 -7.059 17.126 1.00 0.00 O ATOM 324 C2' DC B 3 -3.236 -5.861 16.251 1.00 0.00 C ATOM 325 C1' DC B 3 -2.892 -4.863 17.346 1.00 0.00 C ATOM 326 N1 DC B 3 -1.711 -4.071 16.928 1.00 0.00 N ATOM 327 C2 DC B 3 -1.801 -2.689 16.781 1.00 0.00 C ATOM 328 O2 DC B 3 -2.856 -2.086 16.964 1.00 0.00 O ATOM 329 N3 DC B 3 -0.674 -2.009 16.427 1.00 0.00 N ATOM 330 C4 DC B 3 0.486 -2.639 16.192 1.00 0.00 C ATOM 331 N4 DC B 3 1.571 -1.913 15.908 1.00 0.00 N ATOM 332 C5 DC B 3 0.579 -4.065 16.281 1.00 0.00 C ATOM 333 C6 DC B 3 -0.530 -4.722 16.674 1.00 0.00 C ATOM 0 H5' DC B 3 -1.837 -7.839 19.782 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.784 -8.954 18.817 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.015 -6.905 19.138 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.553 -7.976 16.495 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.356 -6.138 15.671 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.964 -5.452 15.551 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.725 -4.190 17.549 1.00 0.00 H new ATOM 0 H41 DC B 3 2.461 -2.376 15.727 1.00 0.00 H new ATOM 0 H42 DC B 3 1.509 -0.896 15.873 1.00 0.00 H new ATOM 0 H5 DC B 3 1.494 -4.589 16.045 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.488 -5.795 16.793 1.00 0.00 H new ATOM 345 P DT B 4 -6.201 -7.154 15.853 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.548 -7.522 16.343 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.547 -7.974 14.809 1.00 0.00 O ATOM 348 O5' DT B 4 -6.251 -5.627 15.339 1.00 0.00 O ATOM 349 C5' DT B 4 -6.679 -4.576 16.185 1.00 0.00 C ATOM 350 C4' DT B 4 -6.676 -3.237 15.442 1.00 0.00 C ATOM 351 O4' DT B 4 -5.340 -2.806 15.258 1.00 0.00 O ATOM 352 C3' DT B 4 -7.361 -3.307 14.073 1.00 0.00 C ATOM 353 O3' DT B 4 -8.460 -2.415 14.005 1.00 0.00 O ATOM 354 C2' DT B 4 -6.228 -2.959 13.108 1.00 0.00 C ATOM 355 C1' DT B 4 -5.218 -2.221 13.980 1.00 0.00 C ATOM 356 N1 DT B 4 -3.804 -2.355 13.523 1.00 0.00 N ATOM 357 C2 DT B 4 -3.030 -1.202 13.415 1.00 0.00 C ATOM 358 O2 DT B 4 -3.499 -0.067 13.444 1.00 0.00 O ATOM 359 N3 DT B 4 -1.664 -1.392 13.267 1.00 0.00 N ATOM 360 C4 DT B 4 -1.004 -2.610 13.206 1.00 0.00 C ATOM 361 O4 DT B 4 0.219 -2.635 13.086 1.00 0.00 O ATOM 362 C5 DT B 4 -1.878 -3.768 13.296 1.00 0.00 C ATOM 363 C7 DT B 4 -1.287 -5.172 13.287 1.00 0.00 C ATOM 364 C6 DT B 4 -3.219 -3.599 13.439 1.00 0.00 C ATOM 0 H5' DT B 4 -6.024 -4.515 17.054 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.682 -4.788 16.555 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.240 -2.535 16.056 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.804 -4.276 13.843 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.793 -3.854 12.663 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.580 -2.334 12.287 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.433 -1.153 13.950 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.088 -0.553 13.196 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.927 -5.840 13.864 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.219 -5.532 12.260 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.292 -5.151 13.730 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.850 -4.474 13.489 1.00 0.00 H new ATOM 377 P DA B 5 -9.348 -2.255 12.664 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.705 -1.808 13.051 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.181 -3.465 11.828 1.00 0.00 O ATOM 380 O5' DA B 5 -8.591 -1.030 11.939 1.00 0.00 O ATOM 381 C5' DA B 5 -8.672 0.270 12.481 1.00 0.00 C ATOM 382 C4' DA B 5 -7.815 1.292 11.739 1.00 0.00 C ATOM 383 O4' DA B 5 -6.463 0.872 11.749 1.00 0.00 O ATOM 384 C3' DA B 5 -8.258 1.435 10.275 1.00 0.00 C ATOM 385 O3' DA B 5 -8.067 2.736 9.771 1.00 0.00 O ATOM 386 C2' DA B 5 -7.234 0.575 9.573 1.00 0.00 C ATOM 387 C1' DA B 5 -6.004 0.914 10.417 1.00 0.00 C ATOM 388 N9 DA B 5 -4.888 -0.028 10.225 1.00 0.00 N ATOM 389 C8 DA B 5 -4.925 -1.384 10.060 1.00 0.00 C ATOM 390 N7 DA B 5 -3.746 -1.949 10.013 1.00 0.00 N ATOM 391 C5 DA B 5 -2.861 -0.878 10.133 1.00 0.00 C ATOM 392 C6 DA B 5 -1.450 -0.764 10.153 1.00 0.00 C ATOM 393 N6 DA B 5 -0.614 -1.808 10.094 1.00 0.00 N ATOM 394 N1 DA B 5 -0.912 0.467 10.248 1.00 0.00 N ATOM 395 C2 DA B 5 -1.718 1.521 10.343 1.00 0.00 C ATOM 396 N3 DA B 5 -3.042 1.547 10.376 1.00 0.00 N ATOM 397 C4 DA B 5 -3.559 0.297 10.259 1.00 0.00 C ATOM 0 H5' DA B 5 -8.364 0.239 13.526 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.711 0.598 12.464 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.930 2.251 12.244 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.312 1.185 10.150 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.485 -0.485 9.604 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.110 0.843 8.524 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.599 1.884 10.131 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.847 -1.940 9.976 1.00 0.00 H new ATOM 0 H61 DA B 5 0.394 -1.656 10.113 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.985 -2.756 10.030 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.229 2.482 10.401 1.00 0.00 H new ATOM 409 P DG B 6 -9.137 3.909 9.974 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.300 4.184 11.419 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.318 3.627 9.129 1.00 0.00 O ATOM 412 O5' DG B 6 -8.297 5.103 9.308 1.00 0.00 O ATOM 413 C5' DG B 6 -7.019 5.470 9.795 1.00 0.00 C ATOM 414 C4' DG B 6 -5.869 5.208 8.805 1.00 0.00 C ATOM 415 O4' DG B 6 -5.143 3.985 8.955 1.00 0.00 O ATOM 416 C3' DG B 6 -6.212 5.318 7.310 1.00 0.00 C ATOM 417 O3' DG B 6 -5.851 6.601 6.826 1.00 0.00 O ATOM 418 C2' DG B 6 -5.464 4.133 6.714 1.00 0.00 C ATOM 419 C1' DG B 6 -4.412 3.801 7.746 1.00 0.00 C ATOM 420 N9 DG B 6 -3.802 2.472 7.487 1.00 0.00 N ATOM 421 C8 DG B 6 -4.385 1.266 7.171 1.00 0.00 C ATOM 422 N7 DG B 6 -3.543 0.294 6.972 1.00 0.00 N ATOM 423 C5 DG B 6 -2.305 0.902 7.113 1.00 0.00 C ATOM 424 C6 DG B 6 -1.000 0.348 6.992 1.00 0.00 C ATOM 425 O6 DG B 6 -0.699 -0.832 6.845 1.00 0.00 O ATOM 426 N1 DG B 6 -0.004 1.318 7.058 1.00 0.00 N ATOM 427 C2 DG B 6 -0.232 2.663 7.270 1.00 0.00 C ATOM 428 N2 DG B 6 0.832 3.473 7.279 1.00 0.00 N ATOM 429 N3 DG B 6 -1.459 3.175 7.444 1.00 0.00 N ATOM 430 C4 DG B 6 -2.451 2.247 7.351 1.00 0.00 C ATOM 0 H5' DG B 6 -6.822 4.922 10.717 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.030 6.530 10.050 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.239 6.044 9.111 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.269 5.258 7.049 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.131 3.289 6.539 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.014 4.388 5.755 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.512 4.416 7.756 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.455 1.137 7.094 1.00 0.00 H new ATOM 0 H1 DG B 6 0.963 1.014 6.942 1.00 0.00 H new ATOM 0 H21 DG B 6 0.710 4.474 7.432 1.00 0.00 H new ATOM 0 H22 DG B 6 1.766 3.090 7.133 1.00 0.00 H new ATOM 442 P DC B 7 -5.805 6.988 5.255 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.109 8.430 5.124 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.584 5.996 4.480 1.00 0.00 O ATOM 445 O5' DC B 7 -4.234 6.772 4.945 1.00 0.00 O ATOM 446 C5' DC B 7 -3.269 7.392 5.771 1.00 0.00 C ATOM 447 C4' DC B 7 -1.834 7.283 5.253 1.00 0.00 C ATOM 448 O4' DC B 7 -1.345 5.965 5.429 1.00 0.00 O ATOM 449 C3' DC B 7 -1.681 7.715 3.798 1.00 0.00 C ATOM 450 O3' DC B 7 -0.549 8.564 3.679 1.00 0.00 O ATOM 451 C2' DC B 7 -1.521 6.360 3.155 1.00 0.00 C ATOM 452 C1' DC B 7 -0.816 5.507 4.205 1.00 0.00 C ATOM 453 N1 DC B 7 -1.167 4.072 4.040 1.00 0.00 N ATOM 454 C2 DC B 7 -0.183 3.087 3.904 1.00 0.00 C ATOM 455 O2 DC B 7 1.012 3.369 3.853 1.00 0.00 O ATOM 456 N3 DC B 7 -0.584 1.781 3.828 1.00 0.00 N ATOM 457 C4 DC B 7 -1.886 1.448 3.885 1.00 0.00 C ATOM 458 N4 DC B 7 -2.237 0.161 3.830 1.00 0.00 N ATOM 459 C5 DC B 7 -2.902 2.445 4.044 1.00 0.00 C ATOM 460 C6 DC B 7 -2.488 3.723 4.117 1.00 0.00 C ATOM 0 H5' DC B 7 -3.319 6.947 6.765 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.524 8.446 5.880 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.239 7.978 5.846 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.486 8.300 3.353 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.487 5.935 2.885 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.934 6.424 2.239 1.00 0.00 H new ATOM 0 H1' DC B 7 0.269 5.589 4.135 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.222 -0.101 3.873 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.520 -0.560 3.745 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.948 2.184 4.102 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.225 4.502 4.241 1.00 0.00 H new ATOM 472 P DG B 8 -0.109 9.250 2.284 1.00 0.00 P ATOM 473 OP1 DG B 8 0.813 10.367 2.588 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.321 9.497 1.472 1.00 0.00 O ATOM 475 O5' DG B 8 0.740 8.078 1.579 1.00 0.00 O ATOM 476 C5' DG B 8 1.937 7.593 2.153 1.00 0.00 C ATOM 477 C4' DG B 8 2.506 6.441 1.320 1.00 0.00 C ATOM 478 O4' DG B 8 1.759 5.263 1.575 1.00 0.00 O ATOM 479 C3' DG B 8 2.473 6.690 -0.199 1.00 0.00 C ATOM 480 O3' DG B 8 3.712 6.358 -0.793 1.00 0.00 O ATOM 481 C2' DG B 8 1.397 5.712 -0.659 1.00 0.00 C ATOM 482 C1' DG B 8 1.609 4.590 0.348 1.00 0.00 C ATOM 483 N9 DG B 8 0.508 3.602 0.399 1.00 0.00 N ATOM 484 C8 DG B 8 -0.851 3.803 0.377 1.00 0.00 C ATOM 485 N7 DG B 8 -1.549 2.709 0.509 1.00 0.00 N ATOM 486 C5 DG B 8 -0.590 1.706 0.616 1.00 0.00 C ATOM 487 C6 DG B 8 -0.740 0.293 0.777 1.00 0.00 C ATOM 488 O6 DG B 8 -1.781 -0.353 0.870 1.00 0.00 O ATOM 489 N1 DG B 8 0.484 -0.373 0.826 1.00 0.00 N ATOM 490 C2 DG B 8 1.713 0.248 0.721 1.00 0.00 C ATOM 491 N2 DG B 8 2.797 -0.533 0.758 1.00 0.00 N ATOM 492 N3 DG B 8 1.856 1.575 0.586 1.00 0.00 N ATOM 493 C4 DG B 8 0.672 2.244 0.541 1.00 0.00 C ATOM 0 H5' DG B 8 1.747 7.253 3.171 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.668 8.399 2.217 1.00 0.00 H new ATOM 0 H4' DG B 8 3.550 6.346 1.618 1.00 0.00 H new ATOM 0 H3' DG B 8 2.280 7.730 -0.464 1.00 0.00 H new ATOM 0 H2' DG B 8 0.395 6.138 -0.603 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.546 5.382 -1.687 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.667 6.523 -1.758 1.00 0.00 H new ATOM 0 H1' DG B 8 2.472 3.982 0.076 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.300 4.778 0.261 1.00 0.00 H new ATOM 0 H1 DG B 8 0.471 -1.386 0.947 1.00 0.00 H new ATOM 0 H21 DG B 8 3.726 -0.119 0.684 1.00 0.00 H new ATOM 0 H22 DG B 8 2.695 -1.543 0.860 1.00 0.00 H new TER 506 DG B 8