USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -1.82! (180deg=-2.06) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.191 (180deg=-0.885) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -1.2 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.481 3.117 -13.335 1.00 0.00 O ATOM 2 C5' DG A 1 33.352 3.646 -14.034 1.00 0.00 C ATOM 3 C4' DG A 1 32.173 2.672 -14.009 1.00 0.00 C ATOM 4 O4' DG A 1 32.561 1.429 -14.616 1.00 0.00 O ATOM 5 C3' DG A 1 31.656 2.351 -12.606 1.00 0.00 C ATOM 6 O3' DG A 1 30.225 2.247 -12.642 1.00 0.00 O ATOM 7 C2' DG A 1 32.283 1.001 -12.301 1.00 0.00 C ATOM 8 C1' DG A 1 32.367 0.366 -13.678 1.00 0.00 C ATOM 9 N9 DG A 1 33.478 -0.591 -13.833 1.00 0.00 N ATOM 10 C8 DG A 1 34.804 -0.426 -13.529 1.00 0.00 C ATOM 11 N7 DG A 1 35.540 -1.471 -13.787 1.00 0.00 N ATOM 12 C5 DG A 1 34.636 -2.395 -14.301 1.00 0.00 C ATOM 13 C6 DG A 1 34.854 -3.722 -14.761 1.00 0.00 C ATOM 14 O6 DG A 1 35.907 -4.352 -14.798 1.00 0.00 O ATOM 15 N1 DG A 1 33.676 -4.308 -15.200 1.00 0.00 N ATOM 16 C2 DG A 1 32.442 -3.697 -15.195 1.00 0.00 C ATOM 17 N2 DG A 1 31.422 -4.415 -15.653 1.00 0.00 N ATOM 18 N3 DG A 1 32.234 -2.453 -14.764 1.00 0.00 N ATOM 19 C4 DG A 1 33.372 -1.864 -14.333 1.00 0.00 C ATOM 0 H5' DG A 1 33.628 3.858 -15.067 1.00 0.00 H new ATOM 0 H5'' DG A 1 33.054 4.592 -13.583 1.00 0.00 H new ATOM 0 H4' DG A 1 31.372 3.171 -14.554 1.00 0.00 H new ATOM 0 H3' DG A 1 31.904 3.106 -11.860 1.00 0.00 H new ATOM 0 H2' DG A 1 33.265 1.104 -11.840 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.670 0.413 -11.618 1.00 0.00 H new ATOM 0 HO5' DG A 1 35.219 3.761 -13.370 1.00 0.00 H new ATOM 0 H1' DG A 1 31.448 -0.198 -13.839 1.00 0.00 H new ATOM 0 H8 DG A 1 35.203 0.487 -13.113 1.00 0.00 H new ATOM 0 H1 DG A 1 33.728 -5.264 -15.553 1.00 0.00 H new ATOM 0 H21 DG A 1 30.484 -4.014 -15.673 1.00 0.00 H new ATOM 0 H22 DG A 1 31.577 -5.367 -15.984 1.00 0.00 H new ATOM 32 P DT A 2 29.383 1.671 -11.389 1.00 0.00 P ATOM 33 OP1 DT A 2 28.108 2.417 -11.309 1.00 0.00 O ATOM 34 OP2 DT A 2 30.275 1.608 -10.208 1.00 0.00 O ATOM 35 O5' DT A 2 29.054 0.162 -11.855 1.00 0.00 O ATOM 36 C5' DT A 2 28.227 -0.073 -13.004 1.00 0.00 C ATOM 37 C4' DT A 2 27.748 -1.522 -13.085 1.00 0.00 C ATOM 38 O4' DT A 2 28.850 -2.393 -13.389 1.00 0.00 O ATOM 39 C3' DT A 2 27.097 -2.039 -11.803 1.00 0.00 C ATOM 40 O3' DT A 2 25.973 -2.865 -12.136 1.00 0.00 O ATOM 41 C2' DT A 2 28.194 -2.874 -11.163 1.00 0.00 C ATOM 42 C1' DT A 2 28.951 -3.397 -12.375 1.00 0.00 C ATOM 43 N1 DT A 2 30.386 -3.664 -12.136 1.00 0.00 N ATOM 44 C2 DT A 2 30.883 -4.893 -12.534 1.00 0.00 C ATOM 45 O2 DT A 2 30.172 -5.745 -13.059 1.00 0.00 O ATOM 46 N3 DT A 2 32.227 -5.114 -12.292 1.00 0.00 N ATOM 47 C4 DT A 2 33.101 -4.223 -11.691 1.00 0.00 C ATOM 48 O4 DT A 2 34.282 -4.519 -11.516 1.00 0.00 O ATOM 49 C5 DT A 2 32.494 -2.967 -11.311 1.00 0.00 C ATOM 50 C7 DT A 2 33.343 -1.896 -10.634 1.00 0.00 C ATOM 51 C6 DT A 2 31.187 -2.728 -11.541 1.00 0.00 C ATOM 0 H5' DT A 2 28.785 0.174 -13.907 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.364 0.592 -12.970 1.00 0.00 H new ATOM 0 H4' DT A 2 26.993 -1.526 -13.871 1.00 0.00 H new ATOM 0 H3' DT A 2 26.731 -1.247 -11.149 1.00 0.00 H new ATOM 0 H2' DT A 2 28.832 -2.277 -10.511 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.788 -3.684 -10.557 1.00 0.00 H new ATOM 0 H1' DT A 2 28.506 -4.353 -12.651 1.00 0.00 H new ATOM 0 H3 DT A 2 32.609 -6.014 -12.582 1.00 0.00 H new ATOM 0 H71 DT A 2 34.137 -2.371 -10.058 1.00 0.00 H new ATOM 0 H72 DT A 2 33.783 -1.248 -11.392 1.00 0.00 H new ATOM 0 H73 DT A 2 32.717 -1.303 -9.968 1.00 0.00 H new ATOM 0 H6 DT A 2 30.764 -1.778 -11.250 1.00 0.00 H new ATOM 64 P DC A 3 25.085 -3.564 -10.986 1.00 0.00 P ATOM 65 OP1 DC A 3 23.676 -3.590 -11.439 1.00 0.00 O ATOM 66 OP2 DC A 3 25.429 -2.939 -9.687 1.00 0.00 O ATOM 67 O5' DC A 3 25.644 -5.078 -10.980 1.00 0.00 O ATOM 68 C5' DC A 3 25.284 -5.989 -12.026 1.00 0.00 C ATOM 69 C4' DC A 3 25.597 -7.437 -11.655 1.00 0.00 C ATOM 70 O4' DC A 3 27.016 -7.648 -11.647 1.00 0.00 O ATOM 71 C3' DC A 3 25.054 -7.863 -10.292 1.00 0.00 C ATOM 72 O3' DC A 3 24.487 -9.172 -10.388 1.00 0.00 O ATOM 73 C2' DC A 3 26.284 -7.894 -9.395 1.00 0.00 C ATOM 74 C1' DC A 3 27.424 -8.147 -10.370 1.00 0.00 C ATOM 75 N1 DC A 3 28.691 -7.474 -10.005 1.00 0.00 N ATOM 76 C2 DC A 3 29.832 -8.259 -9.897 1.00 0.00 C ATOM 77 O2 DC A 3 29.775 -9.470 -10.090 1.00 0.00 O ATOM 78 N3 DC A 3 31.001 -7.650 -9.565 1.00 0.00 N ATOM 79 C4 DC A 3 31.060 -6.335 -9.347 1.00 0.00 C ATOM 80 N4 DC A 3 32.231 -5.783 -9.021 1.00 0.00 N ATOM 81 C5 DC A 3 29.890 -5.520 -9.457 1.00 0.00 C ATOM 82 C6 DC A 3 28.733 -6.128 -9.787 1.00 0.00 C ATOM 0 H5' DC A 3 25.819 -5.724 -12.938 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.220 -5.892 -12.242 1.00 0.00 H new ATOM 0 H4' DC A 3 25.100 -8.042 -12.414 1.00 0.00 H new ATOM 0 H3' DC A 3 24.277 -7.197 -9.917 1.00 0.00 H new ATOM 0 H2' DC A 3 26.415 -6.954 -8.859 1.00 0.00 H new ATOM 0 H2'' DC A 3 26.215 -8.682 -8.645 1.00 0.00 H new ATOM 0 H1' DC A 3 27.622 -9.219 -10.364 1.00 0.00 H new ATOM 0 H41 DC A 3 32.292 -4.779 -8.851 1.00 0.00 H new ATOM 0 H42 DC A 3 33.065 -6.365 -8.942 1.00 0.00 H new ATOM 0 H5 DC A 3 29.932 -4.455 -9.282 1.00 0.00 H new ATOM 0 H6 DC A 3 27.830 -5.543 -9.880 1.00 0.00 H new ATOM 94 P DG A 4 23.670 -9.818 -9.155 1.00 0.00 P ATOM 95 OP1 DG A 4 22.256 -9.969 -9.564 1.00 0.00 O ATOM 96 OP2 DG A 4 24.009 -9.065 -7.925 1.00 0.00 O ATOM 97 O5' DG A 4 24.326 -11.284 -9.043 1.00 0.00 O ATOM 98 C5' DG A 4 24.417 -12.123 -10.199 1.00 0.00 C ATOM 99 C4' DG A 4 25.407 -13.271 -9.997 1.00 0.00 C ATOM 100 O4' DG A 4 26.709 -12.738 -9.726 1.00 0.00 O ATOM 101 C3' DG A 4 25.059 -14.212 -8.849 1.00 0.00 C ATOM 102 O3' DG A 4 25.477 -15.542 -9.198 1.00 0.00 O ATOM 103 C2' DG A 4 25.888 -13.672 -7.693 1.00 0.00 C ATOM 104 C1' DG A 4 27.110 -13.102 -8.397 1.00 0.00 C ATOM 105 N9 DG A 4 27.664 -11.897 -7.758 1.00 0.00 N ATOM 106 C8 DG A 4 27.008 -10.777 -7.319 1.00 0.00 C ATOM 107 N7 DG A 4 27.796 -9.862 -6.824 1.00 0.00 N ATOM 108 C5 DG A 4 29.066 -10.418 -6.945 1.00 0.00 C ATOM 109 C6 DG A 4 30.331 -9.890 -6.576 1.00 0.00 C ATOM 110 O6 DG A 4 30.579 -8.807 -6.057 1.00 0.00 O ATOM 111 N1 DG A 4 31.359 -10.775 -6.871 1.00 0.00 N ATOM 112 C2 DG A 4 31.189 -12.014 -7.445 1.00 0.00 C ATOM 113 N2 DG A 4 32.291 -12.726 -7.647 1.00 0.00 N ATOM 114 N3 DG A 4 30.004 -12.512 -7.791 1.00 0.00 N ATOM 115 C4 DG A 4 28.992 -11.663 -7.514 1.00 0.00 C ATOM 0 H5' DG A 4 24.725 -11.526 -11.057 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.433 -12.530 -10.430 1.00 0.00 H new ATOM 0 H4' DG A 4 25.369 -13.848 -10.921 1.00 0.00 H new ATOM 0 H3' DG A 4 23.996 -14.259 -8.613 1.00 0.00 H new ATOM 0 H2' DG A 4 25.351 -12.908 -7.131 1.00 0.00 H new ATOM 0 H2'' DG A 4 26.157 -14.457 -6.986 1.00 0.00 H new ATOM 0 H1' DG A 4 27.885 -13.867 -8.365 1.00 0.00 H new ATOM 0 H8 DG A 4 25.936 -10.662 -7.377 1.00 0.00 H new ATOM 0 H1 DG A 4 32.311 -10.485 -6.646 1.00 0.00 H new ATOM 0 H21 DG A 4 32.229 -13.652 -8.069 1.00 0.00 H new ATOM 0 H22 DG A 4 33.199 -12.347 -7.380 1.00 0.00 H new ATOM 127 P DG A 5 25.483 -16.748 -8.126 1.00 0.00 P ATOM 128 OP1 DG A 5 25.075 -17.988 -8.824 1.00 0.00 O ATOM 129 OP2 DG A 5 24.748 -16.304 -6.919 1.00 0.00 O ATOM 130 O5' DG A 5 27.048 -16.871 -7.749 1.00 0.00 O ATOM 131 C5' DG A 5 28.010 -17.259 -8.742 1.00 0.00 C ATOM 132 C4' DG A 5 29.401 -17.483 -8.142 1.00 0.00 C ATOM 133 O4' DG A 5 29.907 -16.249 -7.614 1.00 0.00 O ATOM 134 C3' DG A 5 29.435 -18.512 -7.013 1.00 0.00 C ATOM 135 O3' DG A 5 30.635 -19.294 -7.118 1.00 0.00 O ATOM 136 C2' DG A 5 29.469 -17.660 -5.754 1.00 0.00 C ATOM 137 C1' DG A 5 30.189 -16.402 -6.219 1.00 0.00 C ATOM 138 N9 DG A 5 29.749 -15.168 -5.541 1.00 0.00 N ATOM 139 C8 DG A 5 28.472 -14.733 -5.314 1.00 0.00 C ATOM 140 N7 DG A 5 28.403 -13.578 -4.713 1.00 0.00 N ATOM 141 C5 DG A 5 29.735 -13.220 -4.524 1.00 0.00 C ATOM 142 C6 DG A 5 30.290 -12.060 -3.918 1.00 0.00 C ATOM 143 O6 DG A 5 29.702 -11.092 -3.434 1.00 0.00 O ATOM 144 N1 DG A 5 31.677 -12.097 -3.930 1.00 0.00 N ATOM 145 C2 DG A 5 32.438 -13.115 -4.460 1.00 0.00 C ATOM 146 N2 DG A 5 33.756 -12.972 -4.378 1.00 0.00 N ATOM 147 N3 DG A 5 31.921 -14.203 -5.032 1.00 0.00 N ATOM 148 C4 DG A 5 30.566 -14.189 -5.029 1.00 0.00 C ATOM 0 H5' DG A 5 28.067 -16.488 -9.511 1.00 0.00 H new ATOM 0 H5'' DG A 5 27.676 -18.174 -9.232 1.00 0.00 H new ATOM 0 H4' DG A 5 30.011 -17.864 -8.961 1.00 0.00 H new ATOM 0 H3' DG A 5 28.594 -19.205 -7.029 1.00 0.00 H new ATOM 0 H2' DG A 5 28.466 -17.440 -5.387 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.003 -18.156 -4.944 1.00 0.00 H new ATOM 0 H1' DG A 5 31.247 -16.530 -5.990 1.00 0.00 H new ATOM 0 H8 DG A 5 27.598 -15.296 -5.607 1.00 0.00 H new ATOM 0 H1 DG A 5 32.172 -11.308 -3.514 1.00 0.00 H new ATOM 0 H21 DG A 5 34.372 -13.694 -4.753 1.00 0.00 H new ATOM 0 H22 DG A 5 34.152 -12.141 -3.940 1.00 0.00 H new ATOM 160 P DC A 6 31.010 -20.405 -6.009 1.00 0.00 P ATOM 161 OP1 DC A 6 31.706 -21.519 -6.693 1.00 0.00 O ATOM 162 OP2 DC A 6 29.807 -20.680 -5.192 1.00 0.00 O ATOM 163 O5' DC A 6 32.084 -19.634 -5.084 1.00 0.00 O ATOM 164 C5' DC A 6 33.401 -19.366 -5.579 1.00 0.00 C ATOM 165 C4' DC A 6 34.336 -18.842 -4.489 1.00 0.00 C ATOM 166 O4' DC A 6 33.881 -17.560 -4.036 1.00 0.00 O ATOM 167 C3' DC A 6 34.450 -19.752 -3.264 1.00 0.00 C ATOM 168 O3' DC A 6 35.820 -19.813 -2.840 1.00 0.00 O ATOM 169 C2' DC A 6 33.597 -19.059 -2.210 1.00 0.00 C ATOM 170 C1' DC A 6 33.648 -17.599 -2.625 1.00 0.00 C ATOM 171 N1 DC A 6 32.401 -16.854 -2.353 1.00 0.00 N ATOM 172 C2 DC A 6 32.504 -15.664 -1.650 1.00 0.00 C ATOM 173 O2 DC A 6 33.601 -15.259 -1.273 1.00 0.00 O ATOM 174 N3 DC A 6 31.366 -14.970 -1.390 1.00 0.00 N ATOM 175 C4 DC A 6 30.176 -15.419 -1.798 1.00 0.00 C ATOM 176 N4 DC A 6 29.085 -14.708 -1.523 1.00 0.00 N ATOM 177 C5 DC A 6 30.061 -16.645 -2.521 1.00 0.00 C ATOM 178 C6 DC A 6 31.192 -17.326 -2.778 1.00 0.00 C ATOM 0 H5' DC A 6 33.342 -18.635 -6.386 1.00 0.00 H new ATOM 0 H5'' DC A 6 33.819 -20.278 -6.005 1.00 0.00 H new ATOM 0 H4' DC A 6 35.321 -18.792 -4.954 1.00 0.00 H new ATOM 0 H3' DC A 6 34.125 -20.775 -3.454 1.00 0.00 H new ATOM 0 H2' DC A 6 32.576 -19.440 -2.204 1.00 0.00 H new ATOM 0 H2'' DC A 6 33.998 -19.207 -1.207 1.00 0.00 H new ATOM 0 H1' DC A 6 34.437 -17.124 -2.041 1.00 0.00 H new ATOM 0 H41 DC A 6 28.170 -15.039 -1.829 1.00 0.00 H new ATOM 0 H42 DC A 6 29.164 -13.832 -1.007 1.00 0.00 H new ATOM 0 H5 DC A 6 29.100 -17.012 -2.850 1.00 0.00 H new ATOM 0 H6 DC A 6 31.144 -18.255 -3.326 1.00 0.00 H new ATOM 190 P DT A 7 36.228 -20.420 -1.399 1.00 0.00 P ATOM 191 OP1 DT A 7 37.623 -20.908 -1.479 1.00 0.00 O ATOM 192 OP2 DT A 7 35.153 -21.334 -0.953 1.00 0.00 O ATOM 193 O5' DT A 7 36.208 -19.114 -0.459 1.00 0.00 O ATOM 194 C5' DT A 7 36.978 -17.963 -0.818 1.00 0.00 C ATOM 195 C4' DT A 7 37.246 -17.057 0.381 1.00 0.00 C ATOM 196 O4' DT A 7 36.073 -16.290 0.674 1.00 0.00 O ATOM 197 C3' DT A 7 37.633 -17.807 1.653 1.00 0.00 C ATOM 198 O3' DT A 7 38.623 -17.057 2.368 1.00 0.00 O ATOM 199 C2' DT A 7 36.339 -17.856 2.449 1.00 0.00 C ATOM 200 C1' DT A 7 35.622 -16.587 1.999 1.00 0.00 C ATOM 201 N1 DT A 7 34.150 -16.692 1.941 1.00 0.00 N ATOM 202 C2 DT A 7 33.414 -15.617 2.405 1.00 0.00 C ATOM 203 O2 DT A 7 33.946 -14.618 2.890 1.00 0.00 O ATOM 204 N3 DT A 7 32.040 -15.730 2.295 1.00 0.00 N ATOM 205 C4 DT A 7 31.349 -16.811 1.768 1.00 0.00 C ATOM 206 O4 DT A 7 30.120 -16.811 1.715 1.00 0.00 O ATOM 207 C5 DT A 7 32.201 -17.886 1.311 1.00 0.00 C ATOM 208 C7 DT A 7 31.567 -19.138 0.708 1.00 0.00 C ATOM 209 C6 DT A 7 33.544 -17.798 1.408 1.00 0.00 C ATOM 0 H5' DT A 7 36.450 -17.399 -1.587 1.00 0.00 H new ATOM 0 H5'' DT A 7 37.926 -18.282 -1.251 1.00 0.00 H new ATOM 0 H4' DT A 7 38.091 -16.431 0.093 1.00 0.00 H new ATOM 0 H3' DT A 7 38.050 -18.796 1.462 1.00 0.00 H new ATOM 0 H2' DT A 7 35.759 -18.751 2.224 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.524 -17.858 3.523 1.00 0.00 H new ATOM 0 H1' DT A 7 35.855 -15.820 2.738 1.00 0.00 H new ATOM 0 H3 DT A 7 31.483 -14.945 2.633 1.00 0.00 H new ATOM 0 H71 DT A 7 30.587 -19.301 1.156 1.00 0.00 H new ATOM 0 H72 DT A 7 31.457 -19.008 -0.369 1.00 0.00 H new ATOM 0 H73 DT A 7 32.204 -20.000 0.906 1.00 0.00 H new ATOM 0 H6 DT A 7 34.154 -18.618 1.058 1.00 0.00 H new ATOM 222 P DG A 8 39.415 -17.711 3.610 1.00 0.00 P ATOM 223 OP1 DG A 8 40.839 -17.322 3.507 1.00 0.00 O ATOM 224 OP2 DG A 8 39.046 -19.142 3.697 1.00 0.00 O ATOM 225 O5' DG A 8 38.776 -16.951 4.881 1.00 0.00 O ATOM 226 C5' DG A 8 39.141 -15.598 5.173 1.00 0.00 C ATOM 227 C4' DG A 8 38.414 -15.062 6.406 1.00 0.00 C ATOM 228 O4' DG A 8 37.004 -15.023 6.151 1.00 0.00 O ATOM 229 C3' DG A 8 38.629 -15.892 7.673 1.00 0.00 C ATOM 230 O3' DG A 8 38.798 -15.050 8.820 1.00 0.00 O ATOM 231 C2' DG A 8 37.358 -16.714 7.779 1.00 0.00 C ATOM 232 C1' DG A 8 36.321 -15.821 7.119 1.00 0.00 C ATOM 233 N9 DG A 8 35.258 -16.558 6.416 1.00 0.00 N ATOM 234 C8 DG A 8 35.331 -17.765 5.775 1.00 0.00 C ATOM 235 N7 DG A 8 34.204 -18.149 5.240 1.00 0.00 N ATOM 236 C5 DG A 8 33.319 -17.118 5.551 1.00 0.00 C ATOM 237 C6 DG A 8 31.938 -16.967 5.236 1.00 0.00 C ATOM 238 O6 DG A 8 31.206 -17.730 4.610 1.00 0.00 O ATOM 239 N1 DG A 8 31.431 -15.778 5.739 1.00 0.00 N ATOM 240 C2 DG A 8 32.155 -14.851 6.455 1.00 0.00 C ATOM 241 N2 DG A 8 31.498 -13.768 6.856 1.00 0.00 N ATOM 242 N3 DG A 8 33.446 -14.990 6.751 1.00 0.00 N ATOM 243 C4 DG A 8 33.960 -16.141 6.270 1.00 0.00 C ATOM 0 H5' DG A 8 38.912 -14.967 4.314 1.00 0.00 H new ATOM 0 H5'' DG A 8 40.218 -15.539 5.333 1.00 0.00 H new ATOM 0 H4' DG A 8 38.834 -14.072 6.585 1.00 0.00 H new ATOM 0 H3' DG A 8 39.528 -16.507 7.629 1.00 0.00 H new ATOM 0 H2' DG A 8 37.452 -17.671 7.266 1.00 0.00 H new ATOM 0 H2'' DG A 8 37.103 -16.932 8.816 1.00 0.00 H new ATOM 0 HO3' DG A 8 38.932 -15.605 9.616 1.00 0.00 H new ATOM 0 H1' DG A 8 35.841 -15.241 7.908 1.00 0.00 H new ATOM 0 H8 DG A 8 36.239 -18.347 5.717 1.00 0.00 H new ATOM 0 H1 DG A 8 30.447 -15.575 5.565 1.00 0.00 H new ATOM 0 H21 DG A 8 31.982 -13.046 7.390 1.00 0.00 H new ATOM 0 H22 DG A 8 30.510 -13.658 6.630 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 23.074 -14.597 6.326 1.00 0.00 O ATOM 258 C5' DC B 1 22.978 -13.968 7.606 1.00 0.00 C ATOM 259 C4' DC B 1 24.015 -12.855 7.762 1.00 0.00 C ATOM 260 O4' DC B 1 25.330 -13.420 7.753 1.00 0.00 O ATOM 261 C3' DC B 1 23.955 -11.797 6.665 1.00 0.00 C ATOM 262 O3' DC B 1 24.162 -10.499 7.240 1.00 0.00 O ATOM 263 C2' DC B 1 25.108 -12.149 5.737 1.00 0.00 C ATOM 264 C1' DC B 1 26.068 -12.935 6.626 1.00 0.00 C ATOM 265 N1 DC B 1 26.677 -14.107 5.963 1.00 0.00 N ATOM 266 C2 DC B 1 28.062 -14.212 5.965 1.00 0.00 C ATOM 267 O2 DC B 1 28.750 -13.341 6.494 1.00 0.00 O ATOM 268 N3 DC B 1 28.627 -15.298 5.369 1.00 0.00 N ATOM 269 C4 DC B 1 27.869 -16.241 4.797 1.00 0.00 C ATOM 270 N4 DC B 1 28.454 -17.292 4.225 1.00 0.00 N ATOM 271 C5 DC B 1 26.443 -16.135 4.792 1.00 0.00 C ATOM 272 C6 DC B 1 25.893 -15.058 5.384 1.00 0.00 C ATOM 0 H5' DC B 1 23.120 -14.712 8.390 1.00 0.00 H new ATOM 0 H5'' DC B 1 21.977 -13.556 7.736 1.00 0.00 H new ATOM 0 H4' DC B 1 23.785 -12.365 8.708 1.00 0.00 H new ATOM 0 H3' DC B 1 22.997 -11.776 6.146 1.00 0.00 H new ATOM 0 H2' DC B 1 24.771 -12.745 4.889 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.581 -11.255 5.331 1.00 0.00 H new ATOM 0 HO5' DC B 1 22.400 -15.305 6.258 1.00 0.00 H new ATOM 0 H1' DC B 1 26.876 -12.255 6.895 1.00 0.00 H new ATOM 0 H41 DC B 1 27.885 -18.016 3.786 1.00 0.00 H new ATOM 0 H42 DC B 1 29.471 -17.373 4.226 1.00 0.00 H new ATOM 0 H5 DC B 1 25.828 -16.893 4.329 1.00 0.00 H new ATOM 0 H6 DC B 1 24.819 -14.947 5.400 1.00 0.00 H new ATOM 285 P DA B 2 23.917 -9.158 6.376 1.00 0.00 P ATOM 286 OP1 DA B 2 23.285 -8.148 7.255 1.00 0.00 O ATOM 287 OP2 DA B 2 23.262 -9.539 5.103 1.00 0.00 O ATOM 288 O5' DA B 2 25.421 -8.674 6.044 1.00 0.00 O ATOM 289 C5' DA B 2 26.258 -8.151 7.083 1.00 0.00 C ATOM 290 C4' DA B 2 27.686 -7.892 6.604 1.00 0.00 C ATOM 291 O4' DA B 2 28.281 -9.115 6.154 1.00 0.00 O ATOM 292 C3' DA B 2 27.798 -6.878 5.466 1.00 0.00 C ATOM 293 O3' DA B 2 28.919 -6.013 5.719 1.00 0.00 O ATOM 294 C2' DA B 2 28.050 -7.730 4.236 1.00 0.00 C ATOM 295 C1' DA B 2 28.727 -8.963 4.803 1.00 0.00 C ATOM 296 N9 DA B 2 28.397 -10.200 4.083 1.00 0.00 N ATOM 297 C8 DA B 2 27.205 -10.563 3.522 1.00 0.00 C ATOM 298 N7 DA B 2 27.224 -11.738 2.956 1.00 0.00 N ATOM 299 C5 DA B 2 28.532 -12.179 3.156 1.00 0.00 C ATOM 300 C6 DA B 2 29.208 -13.356 2.795 1.00 0.00 C ATOM 301 N6 DA B 2 28.639 -14.357 2.124 1.00 0.00 N ATOM 302 N1 DA B 2 30.496 -13.458 3.153 1.00 0.00 N ATOM 303 C2 DA B 2 31.069 -12.467 3.820 1.00 0.00 C ATOM 304 N3 DA B 2 30.546 -11.320 4.217 1.00 0.00 N ATOM 305 C4 DA B 2 29.250 -11.244 3.843 1.00 0.00 C ATOM 0 H5' DA B 2 26.279 -8.852 7.917 1.00 0.00 H new ATOM 0 H5'' DA B 2 25.829 -7.222 7.458 1.00 0.00 H new ATOM 0 H4' DA B 2 28.203 -7.475 7.468 1.00 0.00 H new ATOM 0 H3' DA B 2 26.916 -6.247 5.355 1.00 0.00 H new ATOM 0 H2' DA B 2 27.122 -7.980 3.722 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.686 -7.217 3.514 1.00 0.00 H new ATOM 0 H1' DA B 2 29.803 -8.815 4.715 1.00 0.00 H new ATOM 0 H8 DA B 2 26.327 -9.934 3.545 1.00 0.00 H new ATOM 0 H61 DA B 2 29.182 -15.188 1.890 1.00 0.00 H new ATOM 0 H62 DA B 2 27.660 -14.292 1.844 1.00 0.00 H new ATOM 0 H2 DA B 2 32.108 -12.617 4.075 1.00 0.00 H new ATOM 317 P DG B 3 29.497 -5.011 4.591 1.00 0.00 P ATOM 318 OP1 DG B 3 30.018 -3.804 5.273 1.00 0.00 O ATOM 319 OP2 DG B 3 28.483 -4.870 3.521 1.00 0.00 O ATOM 320 O5' DG B 3 30.754 -5.832 3.993 1.00 0.00 O ATOM 321 C5' DG B 3 31.885 -6.129 4.825 1.00 0.00 C ATOM 322 C4' DG B 3 33.063 -6.708 4.037 1.00 0.00 C ATOM 323 O4' DG B 3 32.737 -8.013 3.537 1.00 0.00 O ATOM 324 C3' DG B 3 33.515 -5.863 2.854 1.00 0.00 C ATOM 325 O3' DG B 3 34.950 -5.866 2.794 1.00 0.00 O ATOM 326 C2' DG B 3 32.929 -6.586 1.656 1.00 0.00 C ATOM 327 C1' DG B 3 32.906 -8.032 2.118 1.00 0.00 C ATOM 328 N9 DG B 3 31.800 -8.819 1.549 1.00 0.00 N ATOM 329 C8 DG B 3 30.485 -8.466 1.436 1.00 0.00 C ATOM 330 N7 DG B 3 29.736 -9.381 0.888 1.00 0.00 N ATOM 331 C5 DG B 3 30.623 -10.420 0.617 1.00 0.00 C ATOM 332 C6 DG B 3 30.386 -11.687 0.019 1.00 0.00 C ATOM 333 O6 DG B 3 29.325 -12.148 -0.392 1.00 0.00 O ATOM 334 N1 DG B 3 31.552 -12.432 -0.071 1.00 0.00 N ATOM 335 C2 DG B 3 32.793 -12.016 0.360 1.00 0.00 C ATOM 336 N2 DG B 3 33.796 -12.870 0.187 1.00 0.00 N ATOM 337 N3 DG B 3 33.019 -10.828 0.923 1.00 0.00 N ATOM 338 C4 DG B 3 31.891 -10.084 1.019 1.00 0.00 C ATOM 0 H5' DG B 3 31.586 -6.838 5.597 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.205 -5.220 5.334 1.00 0.00 H new ATOM 0 H4' DG B 3 33.884 -6.736 4.754 1.00 0.00 H new ATOM 0 H3' DG B 3 33.197 -4.822 2.909 1.00 0.00 H new ATOM 0 H2' DG B 3 31.931 -6.223 1.412 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.542 -6.455 0.764 1.00 0.00 H new ATOM 0 H1' DG B 3 33.834 -8.500 1.790 1.00 0.00 H new ATOM 0 H8 DG B 3 30.101 -7.514 1.771 1.00 0.00 H new ATOM 0 H1 DG B 3 31.486 -13.360 -0.489 1.00 0.00 H new ATOM 0 H21 DG B 3 34.738 -12.618 0.486 1.00 0.00 H new ATOM 0 H22 DG B 3 33.624 -13.778 -0.245 1.00 0.00 H new HETATM 350 P N4S B 4 35.747 -5.222 1.548 1.00 0.00 P HETATM 351 OP1 N4S B 4 36.942 -4.526 2.075 1.00 0.00 O HETATM 352 OP2 N4S B 4 34.782 -4.486 0.700 1.00 0.00 O HETATM 353 C5' N4S B 4 37.246 -7.388 1.281 1.00 0.00 C HETATM 354 O5' N4S B 4 36.242 -6.524 0.733 1.00 0.00 O HETATM 355 C4' N4S B 4 37.726 -8.430 0.268 1.00 0.00 C HETATM 356 O4' N4S B 4 36.614 -9.221 -0.173 1.00 0.00 O HETATM 357 C3' N4S B 4 38.381 -7.840 -0.982 1.00 0.00 C HETATM 358 O3' N4S B 4 39.447 -8.708 -1.404 1.00 0.00 O HETATM 359 C2' N4S B 4 37.252 -7.842 -1.999 1.00 0.00 C HETATM 360 C1' N4S B 4 36.441 -9.060 -1.586 1.00 0.00 C HETATM 361 N1 N4S B 4 34.994 -8.937 -1.840 1.00 0.00 N HETATM 362 C2 N4S B 4 34.366 -9.979 -2.500 1.00 0.00 C HETATM 363 O2 N4S B 4 35.006 -10.965 -2.861 1.00 0.00 O HETATM 364 N3 N4S B 4 33.034 -9.877 -2.733 1.00 0.00 N HETATM 365 C4 N4S B 4 32.338 -8.804 -2.339 1.00 0.00 C HETATM 366 N4 N4S B 4 31.035 -8.763 -2.593 1.00 0.00 N HETATM 367 C5 N4S B 4 32.987 -7.725 -1.656 1.00 0.00 C HETATM 368 C6 N4S B 4 34.307 -7.835 -1.429 1.00 0.00 C HETATM 369 CA N4S B 4 30.207 -7.596 -2.178 1.00 0.00 C HETATM 370 CB N4S B 4 29.032 -7.416 -3.148 1.00 0.00 C HETATM 371 CC N4S B 4 29.548 -6.880 -4.497 1.00 0.00 C HETATM 372 CE N4S B 4 27.518 -6.148 -5.601 1.00 0.00 C HETATM 373 CF N4S B 4 28.004 -4.866 -6.312 1.00 0.00 C HETATM 374 CG N4S B 4 28.049 -3.692 -5.316 1.00 0.00 C HETATM 375 CH N4S B 4 28.666 -2.445 -5.981 1.00 0.00 C HETATM 376 CJ N4S B 4 29.426 -0.162 -5.579 1.00 0.00 C HETATM 377 CK N4S B 4 30.935 -0.429 -5.389 1.00 0.00 C HETATM 378 CL N4S B 4 31.654 0.847 -4.908 1.00 0.00 C HETATM 379 ND N4S B 4 28.581 -7.178 -5.576 1.00 0.00 N HETATM 380 NI N4S B 4 28.620 -1.292 -5.050 1.00 0.00 N HETATM 381 NM N4S B 4 33.002 0.934 -5.507 1.00 0.00 N ATOM 416 P DC B 5 40.059 -8.636 -2.897 1.00 0.00 P ATOM 417 OP1 DC B 5 41.449 -9.138 -2.854 1.00 0.00 O ATOM 418 OP2 DC B 5 39.780 -7.292 -3.453 1.00 0.00 O ATOM 419 O5' DC B 5 39.164 -9.712 -3.693 1.00 0.00 O ATOM 420 C5' DC B 5 39.292 -11.112 -3.415 1.00 0.00 C ATOM 421 C4' DC B 5 38.933 -11.962 -4.630 1.00 0.00 C ATOM 422 O4' DC B 5 37.531 -11.855 -4.895 1.00 0.00 O ATOM 423 C3' DC B 5 39.684 -11.576 -5.895 1.00 0.00 C ATOM 424 O3' DC B 5 40.106 -12.766 -6.572 1.00 0.00 O ATOM 425 C2' DC B 5 38.656 -10.831 -6.730 1.00 0.00 C ATOM 426 C1' DC B 5 37.323 -11.363 -6.218 1.00 0.00 C ATOM 427 N1 DC B 5 36.247 -10.351 -6.141 1.00 0.00 N ATOM 428 C2 DC B 5 35.035 -10.661 -6.738 1.00 0.00 C ATOM 429 O2 DC B 5 34.890 -11.728 -7.328 1.00 0.00 O ATOM 430 N3 DC B 5 34.023 -9.758 -6.647 1.00 0.00 N ATOM 431 C4 DC B 5 34.188 -8.600 -6.002 1.00 0.00 C ATOM 432 N4 DC B 5 33.174 -7.741 -5.934 1.00 0.00 N ATOM 433 C5 DC B 5 35.432 -8.269 -5.386 1.00 0.00 C ATOM 434 C6 DC B 5 36.433 -9.169 -5.479 1.00 0.00 C ATOM 0 H5' DC B 5 38.644 -11.378 -2.580 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.315 -11.330 -3.107 1.00 0.00 H new ATOM 0 H4' DC B 5 39.222 -12.982 -4.376 1.00 0.00 H new ATOM 0 H3' DC B 5 40.572 -10.974 -5.702 1.00 0.00 H new ATOM 0 H2' DC B 5 38.736 -9.752 -6.595 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.784 -11.029 -7.794 1.00 0.00 H new ATOM 0 H1' DC B 5 36.999 -12.123 -6.929 1.00 0.00 H new ATOM 0 H41 DC B 5 33.289 -6.854 -5.444 1.00 0.00 H new ATOM 0 H42 DC B 5 32.282 -7.970 -6.372 1.00 0.00 H new ATOM 0 H5 DC B 5 35.567 -7.333 -4.865 1.00 0.00 H new ATOM 0 H6 DC B 5 37.390 -8.954 -5.027 1.00 0.00 H new ATOM 446 P DG B 6 41.068 -12.690 -7.861 1.00 0.00 P ATOM 447 OP1 DG B 6 42.037 -13.807 -7.784 1.00 0.00 O ATOM 448 OP2 DG B 6 41.554 -11.298 -8.000 1.00 0.00 O ATOM 449 O5' DG B 6 40.048 -12.989 -9.071 1.00 0.00 O ATOM 450 C5' DG B 6 39.399 -14.261 -9.169 1.00 0.00 C ATOM 451 C4' DG B 6 38.335 -14.280 -10.264 1.00 0.00 C ATOM 452 O4' DG B 6 37.283 -13.355 -9.948 1.00 0.00 O ATOM 453 C3' DG B 6 38.856 -13.928 -11.652 1.00 0.00 C ATOM 454 O3' DG B 6 38.239 -14.791 -12.618 1.00 0.00 O ATOM 455 C2' DG B 6 38.401 -12.488 -11.855 1.00 0.00 C ATOM 456 C1' DG B 6 37.127 -12.428 -11.028 1.00 0.00 C ATOM 457 N9 DG B 6 36.829 -11.098 -10.456 1.00 0.00 N ATOM 458 C8 DG B 6 37.690 -10.159 -9.949 1.00 0.00 C ATOM 459 N7 DG B 6 37.101 -9.069 -9.536 1.00 0.00 N ATOM 460 C5 DG B 6 35.752 -9.304 -9.788 1.00 0.00 C ATOM 461 C6 DG B 6 34.616 -8.476 -9.552 1.00 0.00 C ATOM 462 O6 DG B 6 34.576 -7.345 -9.068 1.00 0.00 O ATOM 463 N1 DG B 6 33.444 -9.100 -9.952 1.00 0.00 N ATOM 464 C2 DG B 6 33.366 -10.355 -10.509 1.00 0.00 C ATOM 465 N2 DG B 6 32.150 -10.787 -10.827 1.00 0.00 N ATOM 466 N3 DG B 6 34.426 -11.130 -10.732 1.00 0.00 N ATOM 467 C4 DG B 6 35.580 -10.544 -10.349 1.00 0.00 C ATOM 0 H5' DG B 6 38.938 -14.507 -8.212 1.00 0.00 H new ATOM 0 H5'' DG B 6 40.142 -15.032 -9.373 1.00 0.00 H new ATOM 0 H4' DG B 6 37.980 -15.310 -10.295 1.00 0.00 H new ATOM 0 H3' DG B 6 39.935 -14.041 -11.757 1.00 0.00 H new ATOM 0 H2' DG B 6 39.146 -11.773 -11.505 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.214 -12.265 -12.906 1.00 0.00 H new ATOM 0 H1' DG B 6 36.297 -12.665 -11.693 1.00 0.00 H new ATOM 0 H8 DG B 6 38.758 -10.307 -9.896 1.00 0.00 H new ATOM 0 H1 DG B 6 32.571 -8.588 -9.823 1.00 0.00 H new ATOM 0 H21 DG B 6 32.030 -11.710 -11.243 1.00 0.00 H new ATOM 0 H22 DG B 6 31.337 -10.195 -10.655 1.00 0.00 H new ATOM 479 P DA B 7 38.558 -14.657 -14.193 1.00 0.00 P ATOM 480 OP1 DA B 7 38.829 -16.013 -14.726 1.00 0.00 O ATOM 481 OP2 DA B 7 39.555 -13.579 -14.383 1.00 0.00 O ATOM 482 O5' DA B 7 37.147 -14.154 -14.789 1.00 0.00 O ATOM 483 C5' DA B 7 35.987 -14.994 -14.720 1.00 0.00 C ATOM 484 C4' DA B 7 34.786 -14.371 -15.431 1.00 0.00 C ATOM 485 O4' DA B 7 34.320 -13.228 -14.702 1.00 0.00 O ATOM 486 C3' DA B 7 35.073 -13.925 -16.861 1.00 0.00 C ATOM 487 O3' DA B 7 33.981 -14.312 -17.708 1.00 0.00 O ATOM 488 C2' DA B 7 35.170 -12.410 -16.773 1.00 0.00 C ATOM 489 C1' DA B 7 34.340 -12.073 -15.545 1.00 0.00 C ATOM 490 N9 DA B 7 34.891 -10.961 -14.758 1.00 0.00 N ATOM 491 C8 DA B 7 36.174 -10.790 -14.315 1.00 0.00 C ATOM 492 N7 DA B 7 36.359 -9.684 -13.647 1.00 0.00 N ATOM 493 C5 DA B 7 35.102 -9.081 -13.650 1.00 0.00 C ATOM 494 C6 DA B 7 34.624 -7.875 -13.109 1.00 0.00 C ATOM 495 N6 DA B 7 35.393 -7.024 -12.433 1.00 0.00 N ATOM 496 N1 DA B 7 33.325 -7.586 -13.297 1.00 0.00 N ATOM 497 C2 DA B 7 32.565 -8.439 -13.976 1.00 0.00 C ATOM 498 N3 DA B 7 32.897 -9.593 -14.530 1.00 0.00 N ATOM 499 C4 DA B 7 34.204 -9.855 -14.324 1.00 0.00 C ATOM 0 H5' DA B 7 35.735 -15.178 -13.676 1.00 0.00 H new ATOM 0 H5'' DA B 7 36.213 -15.961 -15.169 1.00 0.00 H new ATOM 0 H4' DA B 7 34.035 -15.160 -15.473 1.00 0.00 H new ATOM 0 H3' DA B 7 35.978 -14.369 -17.275 1.00 0.00 H new ATOM 0 H2' DA B 7 36.203 -12.080 -16.663 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.776 -11.930 -17.668 1.00 0.00 H new ATOM 0 H1' DA B 7 33.350 -11.775 -15.891 1.00 0.00 H new ATOM 0 H8 DA B 7 36.962 -11.505 -14.501 1.00 0.00 H new ATOM 0 H61 DA B 7 34.995 -6.162 -12.061 1.00 0.00 H new ATOM 0 H62 DA B 7 36.380 -7.234 -12.287 1.00 0.00 H new ATOM 0 H2 DA B 7 31.531 -8.149 -14.092 1.00 0.00 H new ATOM 511 P DC B 8 33.918 -13.866 -19.259 1.00 0.00 P ATOM 512 OP1 DC B 8 33.232 -14.934 -20.021 1.00 0.00 O ATOM 513 OP2 DC B 8 35.267 -13.417 -19.672 1.00 0.00 O ATOM 514 O5' DC B 8 32.952 -12.577 -19.211 1.00 0.00 O ATOM 515 C5' DC B 8 31.599 -12.697 -18.753 1.00 0.00 C ATOM 516 C4' DC B 8 30.892 -11.343 -18.710 1.00 0.00 C ATOM 517 O4' DC B 8 31.551 -10.493 -17.763 1.00 0.00 O ATOM 518 C3' DC B 8 30.866 -10.609 -20.057 1.00 0.00 C ATOM 519 O3' DC B 8 29.540 -10.177 -20.386 1.00 0.00 O ATOM 520 C2' DC B 8 31.797 -9.419 -19.844 1.00 0.00 C ATOM 521 C1' DC B 8 31.726 -9.203 -18.343 1.00 0.00 C ATOM 522 N1 DC B 8 32.941 -8.602 -17.750 1.00 0.00 N ATOM 523 C2 DC B 8 32.794 -7.415 -17.047 1.00 0.00 C ATOM 524 O2 DC B 8 31.689 -6.893 -16.936 1.00 0.00 O ATOM 525 N3 DC B 8 33.901 -6.856 -16.487 1.00 0.00 N ATOM 526 C4 DC B 8 35.101 -7.433 -16.608 1.00 0.00 C ATOM 527 N4 DC B 8 36.160 -6.857 -16.044 1.00 0.00 N ATOM 528 C5 DC B 8 35.259 -8.656 -17.332 1.00 0.00 C ATOM 529 C6 DC B 8 34.159 -9.203 -17.883 1.00 0.00 C ATOM 0 H5' DC B 8 31.590 -13.143 -17.759 1.00 0.00 H new ATOM 0 H5'' DC B 8 31.051 -13.372 -19.410 1.00 0.00 H new ATOM 0 H4' DC B 8 29.860 -11.554 -18.430 1.00 0.00 H new ATOM 0 H3' DC B 8 31.180 -11.243 -20.886 1.00 0.00 H new ATOM 0 H2' DC B 8 32.813 -9.636 -20.174 1.00 0.00 H new ATOM 0 H2'' DC B 8 31.463 -8.540 -20.396 1.00 0.00 H new ATOM 0 HO3' DC B 8 29.552 -9.711 -21.248 1.00 0.00 H new ATOM 0 H1' DC B 8 30.913 -8.504 -18.146 1.00 0.00 H new ATOM 0 H41 DC B 8 37.081 -7.288 -16.129 1.00 0.00 H new ATOM 0 H42 DC B 8 36.051 -5.985 -15.526 1.00 0.00 H new ATOM 0 H5 DC B 8 36.227 -9.125 -17.433 1.00 0.00 H new ATOM 0 H6 DC B 8 34.241 -10.127 -18.436 1.00 0.00 H new TER 542 DC B 8