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= -1.37! (180deg=-1.37!) 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= -1.93! (180deg=-1.93!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.708 -8.835 -1.988 1.00 0.00 O ATOM 2 C5' DC A 1 3.737 -9.244 -0.637 1.00 0.00 C ATOM 3 C4' DC A 1 4.085 -8.057 0.267 1.00 0.00 C ATOM 4 O4' DC A 1 3.084 -7.061 0.212 1.00 0.00 O ATOM 5 C3' DC A 1 4.262 -8.453 1.736 1.00 0.00 C ATOM 6 O3' DC A 1 5.668 -8.576 1.915 1.00 0.00 O ATOM 7 C2' DC A 1 3.584 -7.268 2.477 1.00 0.00 C ATOM 8 C1' DC A 1 3.238 -6.267 1.367 1.00 0.00 C ATOM 9 N1 DC A 1 2.016 -5.468 1.628 1.00 0.00 N ATOM 10 C2 DC A 1 2.042 -4.071 1.602 1.00 0.00 C ATOM 11 O2 DC A 1 3.089 -3.452 1.429 1.00 0.00 O ATOM 12 N3 DC A 1 0.865 -3.398 1.775 1.00 0.00 N ATOM 13 C4 DC A 1 -0.290 -4.055 1.972 1.00 0.00 C ATOM 14 N4 DC A 1 -1.414 -3.353 2.151 1.00 0.00 N ATOM 15 C5 DC A 1 -0.340 -5.491 1.943 1.00 0.00 C ATOM 16 C6 DC A 1 0.836 -6.132 1.761 1.00 0.00 C ATOM 0 H5' DC A 1 4.472 -10.038 -0.506 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.768 -9.655 -0.353 1.00 0.00 H new ATOM 0 H4' DC A 1 5.033 -7.677 -0.115 1.00 0.00 H new ATOM 0 H3' DC A 1 3.826 -9.387 2.092 1.00 0.00 H new ATOM 0 H2' DC A 1 2.691 -7.593 3.011 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.254 -6.826 3.215 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.486 -9.601 -2.557 1.00 0.00 H new ATOM 0 H1' DC A 1 4.023 -5.516 1.278 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.299 -3.837 2.302 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.386 -2.333 2.137 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.269 -6.030 2.060 1.00 0.00 H new ATOM 0 H6 DC A 1 0.839 -7.211 1.720 1.00 0.00 H new ATOM 29 P DG A 2 6.424 -8.449 3.331 1.00 0.00 P ATOM 30 OP1 DG A 2 7.792 -8.990 3.168 1.00 0.00 O ATOM 31 OP2 DG A 2 5.539 -8.988 4.387 1.00 0.00 O ATOM 32 O5' DG A 2 6.538 -6.848 3.524 1.00 0.00 O ATOM 33 C5' DG A 2 7.068 -5.998 2.520 1.00 0.00 C ATOM 34 C4' DG A 2 7.195 -4.565 3.021 1.00 0.00 C ATOM 35 O4' DG A 2 5.919 -3.952 2.932 1.00 0.00 O ATOM 36 C3' DG A 2 7.697 -4.465 4.467 1.00 0.00 C ATOM 37 O3' DG A 2 8.649 -3.421 4.513 1.00 0.00 O ATOM 38 C2' DG A 2 6.368 -4.199 5.161 1.00 0.00 C ATOM 39 C1' DG A 2 5.694 -3.288 4.146 1.00 0.00 C ATOM 40 N9 DG A 2 4.250 -3.119 4.412 1.00 0.00 N ATOM 41 C8 DG A 2 3.373 -4.070 4.855 1.00 0.00 C ATOM 42 N7 DG A 2 2.130 -3.685 4.898 1.00 0.00 N ATOM 43 C5 DG A 2 2.186 -2.361 4.476 1.00 0.00 C ATOM 44 C6 DG A 2 1.133 -1.416 4.301 1.00 0.00 C ATOM 45 O6 DG A 2 -0.075 -1.611 4.395 1.00 0.00 O ATOM 46 N1 DG A 2 1.605 -0.144 3.987 1.00 0.00 N ATOM 47 C2 DG A 2 2.936 0.157 3.765 1.00 0.00 C ATOM 48 N2 DG A 2 3.229 1.427 3.464 1.00 0.00 N ATOM 49 N3 DG A 2 3.920 -0.756 3.836 1.00 0.00 N ATOM 50 C4 DG A 2 3.484 -1.991 4.209 1.00 0.00 C ATOM 0 H5' DG A 2 6.423 -6.023 1.641 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.046 -6.365 2.208 1.00 0.00 H new ATOM 0 H4' DG A 2 7.936 -4.064 2.398 1.00 0.00 H new ATOM 0 H3' DG A 2 8.220 -5.308 4.919 1.00 0.00 H new ATOM 0 H2' DG A 2 5.802 -5.114 5.335 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.497 -3.715 6.129 1.00 0.00 H new ATOM 0 H1' DG A 2 6.090 -2.273 4.166 1.00 0.00 H new ATOM 0 H8 DG A 2 3.686 -5.062 5.146 1.00 0.00 H new ATOM 0 H1 DG A 2 0.926 0.614 3.916 1.00 0.00 H new ATOM 0 H21 DG A 2 4.196 1.700 3.291 1.00 0.00 H new ATOM 0 H22 DG A 2 2.485 2.122 3.407 1.00 0.00 H new ATOM 62 P DC A 3 9.199 -2.789 5.883 1.00 0.00 P ATOM 63 OP1 DC A 3 10.627 -2.447 5.703 1.00 0.00 O ATOM 64 OP2 DC A 3 8.777 -3.631 7.024 1.00 0.00 O ATOM 65 O5' DC A 3 8.339 -1.429 5.893 1.00 0.00 O ATOM 66 C5' DC A 3 8.567 -0.423 4.923 1.00 0.00 C ATOM 67 C4' DC A 3 7.798 0.847 5.281 1.00 0.00 C ATOM 68 O4' DC A 3 6.408 0.602 5.219 1.00 0.00 O ATOM 69 C3' DC A 3 8.150 1.352 6.688 1.00 0.00 C ATOM 70 O3' DC A 3 8.624 2.683 6.565 1.00 0.00 O ATOM 71 C2' DC A 3 6.844 1.199 7.446 1.00 0.00 C ATOM 72 C1' DC A 3 5.789 1.173 6.352 1.00 0.00 C ATOM 73 N1 DC A 3 4.669 0.300 6.777 1.00 0.00 N ATOM 74 C2 DC A 3 3.390 0.829 6.932 1.00 0.00 C ATOM 75 O2 DC A 3 3.152 2.016 6.728 1.00 0.00 O ATOM 76 N3 DC A 3 2.391 -0.013 7.319 1.00 0.00 N ATOM 77 C4 DC A 3 2.621 -1.308 7.577 1.00 0.00 C ATOM 78 N4 DC A 3 1.592 -2.095 7.901 1.00 0.00 N ATOM 79 C5 DC A 3 3.940 -1.855 7.467 1.00 0.00 C ATOM 80 C6 DC A 3 4.913 -1.024 7.043 1.00 0.00 C ATOM 0 H5' DC A 3 8.256 -0.779 3.941 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.633 -0.205 4.860 1.00 0.00 H new ATOM 0 H4' DC A 3 8.082 1.612 4.559 1.00 0.00 H new ATOM 0 H3' DC A 3 8.941 0.819 7.215 1.00 0.00 H new ATOM 0 H2' DC A 3 6.830 0.283 8.037 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.683 2.027 8.137 1.00 0.00 H new ATOM 0 H1' DC A 3 5.404 2.171 6.144 1.00 0.00 H new ATOM 0 H41 DC A 3 1.749 -3.083 8.101 1.00 0.00 H new ATOM 0 H42 DC A 3 0.649 -1.708 7.949 1.00 0.00 H new ATOM 0 H5 DC A 3 4.146 -2.886 7.713 1.00 0.00 H new ATOM 0 H6 DC A 3 5.912 -1.411 6.909 1.00 0.00 H new ATOM 92 P DT A 4 8.989 3.614 7.830 1.00 0.00 P ATOM 93 OP1 DT A 4 9.823 4.738 7.349 1.00 0.00 O ATOM 94 OP2 DT A 4 9.476 2.752 8.929 1.00 0.00 O ATOM 95 O5' DT A 4 7.547 4.200 8.247 1.00 0.00 O ATOM 96 C5' DT A 4 6.736 4.904 7.325 1.00 0.00 C ATOM 97 C4' DT A 4 5.465 5.412 8.015 1.00 0.00 C ATOM 98 O4' DT A 4 4.598 4.317 8.274 1.00 0.00 O ATOM 99 C3' DT A 4 5.770 6.108 9.349 1.00 0.00 C ATOM 100 O3' DT A 4 5.066 7.334 9.431 1.00 0.00 O ATOM 101 C2' DT A 4 5.299 5.066 10.363 1.00 0.00 C ATOM 102 C1' DT A 4 4.153 4.383 9.614 1.00 0.00 C ATOM 103 N1 DT A 4 3.793 3.015 10.091 1.00 0.00 N ATOM 104 C2 DT A 4 2.440 2.672 10.143 1.00 0.00 C ATOM 105 O2 DT A 4 1.529 3.488 10.033 1.00 0.00 O ATOM 106 N3 DT A 4 2.150 1.329 10.330 1.00 0.00 N ATOM 107 C4 DT A 4 3.071 0.302 10.472 1.00 0.00 C ATOM 108 O4 DT A 4 2.683 -0.853 10.631 1.00 0.00 O ATOM 109 C5 DT A 4 4.457 0.732 10.413 1.00 0.00 C ATOM 110 C7 DT A 4 5.575 -0.299 10.470 1.00 0.00 C ATOM 111 C6 DT A 4 4.759 2.044 10.242 1.00 0.00 C ATOM 0 H5' DT A 4 6.470 4.253 6.492 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.292 5.744 6.908 1.00 0.00 H new ATOM 0 H4' DT A 4 5.000 6.135 7.345 1.00 0.00 H new ATOM 0 H3' DT A 4 6.812 6.388 9.502 1.00 0.00 H new ATOM 0 H2' DT A 4 6.091 4.364 10.623 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.962 5.525 11.292 1.00 0.00 H new ATOM 0 H1' DT A 4 3.239 4.957 9.768 1.00 0.00 H new ATOM 0 H3 DT A 4 1.164 1.072 10.367 1.00 0.00 H new ATOM 0 H71 DT A 4 6.436 0.067 9.911 1.00 0.00 H new ATOM 0 H72 DT A 4 5.862 -0.468 11.508 1.00 0.00 H new ATOM 0 H73 DT A 4 5.229 -1.235 10.032 1.00 0.00 H new ATOM 0 H6 DT A 4 5.798 2.339 10.224 1.00 0.00 H new ATOM 124 P DA A 5 5.120 8.266 10.749 1.00 0.00 P ATOM 125 OP1 DA A 5 4.969 9.677 10.328 1.00 0.00 O ATOM 126 OP2 DA A 5 6.281 7.865 11.575 1.00 0.00 O ATOM 127 O5' DA A 5 3.773 7.805 11.506 1.00 0.00 O ATOM 128 C5' DA A 5 2.512 8.208 11.015 1.00 0.00 C ATOM 129 C4' DA A 5 1.351 7.706 11.868 1.00 0.00 C ATOM 130 O4' DA A 5 1.355 6.296 11.826 1.00 0.00 O ATOM 131 C3' DA A 5 1.508 8.168 13.336 1.00 0.00 C ATOM 132 O3' DA A 5 0.344 8.557 14.050 1.00 0.00 O ATOM 133 C2' DA A 5 1.951 6.878 13.988 1.00 0.00 C ATOM 134 C1' DA A 5 1.174 5.862 13.145 1.00 0.00 C ATOM 135 N9 DA A 5 1.655 4.481 13.301 1.00 0.00 N ATOM 136 C8 DA A 5 2.942 4.027 13.326 1.00 0.00 C ATOM 137 N7 DA A 5 3.051 2.726 13.397 1.00 0.00 N ATOM 138 C5 DA A 5 1.728 2.286 13.415 1.00 0.00 C ATOM 139 C6 DA A 5 1.116 1.010 13.465 1.00 0.00 C ATOM 140 N6 DA A 5 1.793 -0.145 13.498 1.00 0.00 N ATOM 141 N1 DA A 5 -0.229 0.950 13.468 1.00 0.00 N ATOM 142 C2 DA A 5 -0.931 2.077 13.404 1.00 0.00 C ATOM 143 N3 DA A 5 -0.483 3.322 13.325 1.00 0.00 N ATOM 144 C4 DA A 5 0.873 3.357 13.341 1.00 0.00 C ATOM 0 H5' DA A 5 2.391 7.842 9.996 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.477 9.296 10.969 1.00 0.00 H new ATOM 0 H4' DA A 5 0.416 8.108 11.479 1.00 0.00 H new ATOM 0 H3' DA A 5 2.142 9.054 13.351 1.00 0.00 H new ATOM 0 H2' DA A 5 3.029 6.731 13.926 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.683 6.833 15.044 1.00 0.00 H new ATOM 0 H1' DA A 5 0.130 5.825 13.455 1.00 0.00 H new ATOM 0 H8 DA A 5 3.797 4.686 13.290 1.00 0.00 H new ATOM 0 H61 DA A 5 1.289 -1.031 13.534 1.00 0.00 H new ATOM 0 H62 DA A 5 2.813 -0.139 13.488 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.005 1.964 13.418 1.00 0.00 H new ATOM 156 P DG A 6 -0.749 9.570 13.465 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.146 10.343 12.356 1.00 0.00 O ATOM 158 OP2 DG A 6 -1.407 10.278 14.584 1.00 0.00 O ATOM 159 O5' DG A 6 -1.752 8.470 12.853 1.00 0.00 O ATOM 160 C5' DG A 6 -2.946 8.058 13.494 1.00 0.00 C ATOM 161 C4' DG A 6 -2.869 7.099 14.704 1.00 0.00 C ATOM 162 O4' DG A 6 -2.024 5.952 14.634 1.00 0.00 O ATOM 163 C3' DG A 6 -2.743 7.667 16.132 1.00 0.00 C ATOM 164 O3' DG A 6 -4.052 7.866 16.651 1.00 0.00 O ATOM 165 C2' DG A 6 -1.876 6.621 16.836 1.00 0.00 C ATOM 166 C1' DG A 6 -1.997 5.396 15.948 1.00 0.00 C ATOM 167 N9 DG A 6 -0.970 4.362 16.219 1.00 0.00 N ATOM 168 C8 DG A 6 0.370 4.483 16.493 1.00 0.00 C ATOM 169 N7 DG A 6 0.988 3.352 16.681 1.00 0.00 N ATOM 170 C5 DG A 6 -0.022 2.408 16.572 1.00 0.00 C ATOM 171 C6 DG A 6 0.037 0.990 16.685 1.00 0.00 C ATOM 172 O6 DG A 6 1.037 0.291 16.805 1.00 0.00 O ATOM 173 N1 DG A 6 -1.225 0.402 16.646 1.00 0.00 N ATOM 174 C2 DG A 6 -2.406 1.092 16.454 1.00 0.00 C ATOM 175 N2 DG A 6 -3.543 0.390 16.463 1.00 0.00 N ATOM 176 N3 DG A 6 -2.453 2.420 16.284 1.00 0.00 N ATOM 177 C4 DG A 6 -1.232 3.019 16.358 1.00 0.00 C ATOM 0 H5' DG A 6 -3.574 7.583 12.740 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.467 8.957 13.823 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.903 6.793 14.548 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.276 8.646 16.240 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.841 6.952 16.923 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.232 6.420 17.846 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.893 4.803 16.130 1.00 0.00 H new ATOM 0 H8 DG A 6 0.871 5.438 16.548 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.281 -0.609 16.768 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.436 0.863 16.325 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.518 -0.619 16.608 1.00 0.00 H new ATOM 189 P DC A 7 -4.412 8.029 18.222 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.619 8.880 18.331 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.192 8.386 18.980 1.00 0.00 O ATOM 192 O5' DC A 7 -4.835 6.510 18.588 1.00 0.00 O ATOM 193 C5' DC A 7 -5.798 5.845 17.791 1.00 0.00 C ATOM 194 C4' DC A 7 -6.271 4.493 18.336 1.00 0.00 C ATOM 195 O4' DC A 7 -5.268 3.513 18.134 1.00 0.00 O ATOM 196 C3' DC A 7 -6.676 4.523 19.811 1.00 0.00 C ATOM 197 O3' DC A 7 -7.913 3.845 19.962 1.00 0.00 O ATOM 198 C2' DC A 7 -5.492 3.813 20.429 1.00 0.00 C ATOM 199 C1' DC A 7 -5.028 2.839 19.350 1.00 0.00 C ATOM 200 N1 DC A 7 -3.567 2.599 19.487 1.00 0.00 N ATOM 201 C2 DC A 7 -3.047 1.322 19.725 1.00 0.00 C ATOM 202 O2 DC A 7 -3.772 0.333 19.810 1.00 0.00 O ATOM 203 N3 DC A 7 -1.691 1.194 19.863 1.00 0.00 N ATOM 204 C4 DC A 7 -0.881 2.264 19.785 1.00 0.00 C ATOM 205 N4 DC A 7 0.439 2.101 19.898 1.00 0.00 N ATOM 206 C5 DC A 7 -1.401 3.574 19.533 1.00 0.00 C ATOM 207 C6 DC A 7 -2.732 3.678 19.377 1.00 0.00 C ATOM 0 H5' DC A 7 -5.380 5.692 16.796 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.664 6.496 17.676 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.172 4.241 17.777 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.853 5.498 20.264 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.703 4.516 20.696 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.775 3.289 21.342 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.539 1.879 19.413 1.00 0.00 H new ATOM 0 H41 DC A 7 1.059 2.909 19.840 1.00 0.00 H new ATOM 0 H42 DC A 7 0.827 1.169 20.043 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.755 4.437 19.471 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.157 4.646 19.157 1.00 0.00 H new ATOM 219 P DG A 8 -8.694 3.752 21.374 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.084 3.322 21.106 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.444 4.994 22.139 1.00 0.00 O ATOM 222 O5' DG A 8 -7.929 2.544 22.111 1.00 0.00 O ATOM 223 C5' DG A 8 -7.949 1.233 21.581 1.00 0.00 C ATOM 224 C4' DG A 8 -7.085 0.297 22.432 1.00 0.00 C ATOM 225 O4' DG A 8 -5.716 0.524 22.139 1.00 0.00 O ATOM 226 C3' DG A 8 -7.268 0.479 23.949 1.00 0.00 C ATOM 227 O3' DG A 8 -7.458 -0.767 24.589 1.00 0.00 O ATOM 228 C2' DG A 8 -5.934 1.084 24.369 1.00 0.00 C ATOM 229 C1' DG A 8 -5.007 0.433 23.353 1.00 0.00 C ATOM 230 N9 DG A 8 -3.679 1.076 23.261 1.00 0.00 N ATOM 231 C8 DG A 8 -3.350 2.410 23.268 1.00 0.00 C ATOM 232 N7 DG A 8 -2.071 2.639 23.146 1.00 0.00 N ATOM 233 C5 DG A 8 -1.506 1.370 23.056 1.00 0.00 C ATOM 234 C6 DG A 8 -0.140 0.969 22.915 1.00 0.00 C ATOM 235 O6 DG A 8 0.857 1.683 22.842 1.00 0.00 O ATOM 236 N1 DG A 8 0.008 -0.416 22.861 1.00 0.00 N ATOM 237 C2 DG A 8 -1.037 -1.315 22.951 1.00 0.00 C ATOM 238 N2 DG A 8 -0.728 -2.616 22.920 1.00 0.00 N ATOM 239 N3 DG A 8 -2.318 -0.942 23.077 1.00 0.00 N ATOM 240 C4 DG A 8 -2.485 0.408 23.122 1.00 0.00 C ATOM 0 H5' DG A 8 -7.582 1.244 20.555 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.974 0.863 21.549 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.406 -0.713 22.178 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.135 1.087 24.209 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.930 2.172 24.297 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.668 0.831 25.395 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.570 -0.626 25.552 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.770 -0.593 23.636 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.083 3.197 23.366 1.00 0.00 H new ATOM 0 H1 DG A 8 0.950 -0.790 22.748 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.466 -3.317 22.983 1.00 0.00 H new ATOM 0 H22 DG A 8 0.246 -2.907 22.833 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.407 -6.394 26.335 1.00 0.00 O ATOM 255 C5' DC B 1 6.899 -6.548 25.021 1.00 0.00 C ATOM 256 C4' DC B 1 5.742 -6.504 24.018 1.00 0.00 C ATOM 257 O4' DC B 1 5.110 -5.240 24.019 1.00 0.00 O ATOM 258 C3' DC B 1 6.183 -6.798 22.581 1.00 0.00 C ATOM 259 O3' DC B 1 5.880 -8.171 22.371 1.00 0.00 O ATOM 260 C2' DC B 1 5.335 -5.782 21.767 1.00 0.00 C ATOM 261 C1' DC B 1 4.405 -5.135 22.802 1.00 0.00 C ATOM 262 N1 DC B 1 4.060 -3.720 22.510 1.00 0.00 N ATOM 263 C2 DC B 1 2.730 -3.292 22.440 1.00 0.00 C ATOM 264 O2 DC B 1 1.794 -4.081 22.547 1.00 0.00 O ATOM 265 N3 DC B 1 2.486 -1.960 22.248 1.00 0.00 N ATOM 266 C4 DC B 1 3.494 -1.080 22.123 1.00 0.00 C ATOM 267 N4 DC B 1 3.211 0.213 21.930 1.00 0.00 N ATOM 268 C5 DC B 1 4.862 -1.496 22.253 1.00 0.00 C ATOM 269 C6 DC B 1 5.075 -2.816 22.451 1.00 0.00 C ATOM 0 H5' DC B 1 7.432 -7.495 24.932 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.615 -5.757 24.797 1.00 0.00 H new ATOM 0 H4' DC B 1 5.053 -7.283 24.345 1.00 0.00 H new ATOM 0 H3' DC B 1 7.233 -6.678 22.314 1.00 0.00 H new ATOM 0 H2' DC B 1 5.967 -5.038 21.282 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.767 -6.280 20.981 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.153 -6.425 26.969 1.00 0.00 H new ATOM 0 H1' DC B 1 3.439 -5.640 22.811 1.00 0.00 H new ATOM 0 H41 DC B 1 3.966 0.892 21.834 1.00 0.00 H new ATOM 0 H42 DC B 1 2.240 0.520 21.879 1.00 0.00 H new ATOM 0 H5 DC B 1 5.678 -0.791 22.196 1.00 0.00 H new ATOM 0 H6 DC B 1 6.090 -3.167 22.567 1.00 0.00 H new ATOM 282 P DG B 2 5.659 -8.846 20.926 1.00 0.00 P ATOM 283 OP1 DG B 2 5.732 -10.314 21.089 1.00 0.00 O ATOM 284 OP2 DG B 2 6.538 -8.167 19.948 1.00 0.00 O ATOM 285 O5' DG B 2 4.126 -8.451 20.599 1.00 0.00 O ATOM 286 C5' DG B 2 3.073 -8.687 21.519 1.00 0.00 C ATOM 287 C4' DG B 2 1.726 -8.322 20.913 1.00 0.00 C ATOM 288 O4' DG B 2 1.573 -6.914 20.983 1.00 0.00 O ATOM 289 C3' DG B 2 1.571 -8.773 19.455 1.00 0.00 C ATOM 290 O3' DG B 2 0.299 -9.375 19.330 1.00 0.00 O ATOM 291 C2' DG B 2 1.770 -7.429 18.772 1.00 0.00 C ATOM 292 C1' DG B 2 1.067 -6.494 19.744 1.00 0.00 C ATOM 293 N9 DG B 2 1.399 -5.076 19.482 1.00 0.00 N ATOM 294 C8 DG B 2 2.622 -4.576 19.128 1.00 0.00 C ATOM 295 N7 DG B 2 2.685 -3.278 19.074 1.00 0.00 N ATOM 296 C5 DG B 2 1.393 -2.880 19.387 1.00 0.00 C ATOM 297 C6 DG B 2 0.857 -1.566 19.503 1.00 0.00 C ATOM 298 O6 DG B 2 1.468 -0.504 19.449 1.00 0.00 O ATOM 299 N1 DG B 2 -0.520 -1.564 19.702 1.00 0.00 N ATOM 300 C2 DG B 2 -1.279 -2.707 19.871 1.00 0.00 C ATOM 301 N2 DG B 2 -2.593 -2.533 20.053 1.00 0.00 N ATOM 302 N3 DG B 2 -0.757 -3.949 19.862 1.00 0.00 N ATOM 303 C4 DG B 2 0.581 -3.970 19.602 1.00 0.00 C ATOM 0 H5' DG B 2 3.239 -8.103 22.424 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.071 -9.737 21.813 1.00 0.00 H new ATOM 0 H4' DG B 2 0.958 -8.843 21.484 1.00 0.00 H new ATOM 0 H3' DG B 2 2.241 -9.527 19.041 1.00 0.00 H new ATOM 0 H2' DG B 2 2.825 -7.181 18.653 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.322 -7.402 17.779 1.00 0.00 H new ATOM 0 H1' DG B 2 -0.020 -6.540 19.674 1.00 0.00 H new ATOM 0 H8 DG B 2 3.469 -5.210 18.910 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.999 -0.664 19.725 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.201 -3.341 20.183 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.986 -1.592 20.062 1.00 0.00 H new ATOM 315 P DC B 3 -0.376 -9.707 17.915 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.179 -10.942 18.052 1.00 0.00 O ATOM 317 OP2 DC B 3 0.638 -9.594 16.842 1.00 0.00 O ATOM 318 O5' DC B 3 -1.368 -8.448 17.830 1.00 0.00 O ATOM 319 C5' DC B 3 -2.467 -8.329 18.716 1.00 0.00 C ATOM 320 C4' DC B 3 -3.355 -7.173 18.265 1.00 0.00 C ATOM 321 O4' DC B 3 -2.654 -5.951 18.358 1.00 0.00 O ATOM 322 C3' DC B 3 -3.850 -7.356 16.822 1.00 0.00 C ATOM 323 O3' DC B 3 -5.267 -7.373 16.833 1.00 0.00 O ATOM 324 C2' DC B 3 -3.223 -6.177 16.098 1.00 0.00 C ATOM 325 C1' DC B 3 -2.931 -5.179 17.209 1.00 0.00 C ATOM 326 N1 DC B 3 -1.715 -4.405 16.857 1.00 0.00 N ATOM 327 C2 DC B 3 -1.785 -3.027 16.665 1.00 0.00 C ATOM 328 O2 DC B 3 -2.840 -2.413 16.794 1.00 0.00 O ATOM 329 N3 DC B 3 -0.639 -2.368 16.329 1.00 0.00 N ATOM 330 C4 DC B 3 0.522 -3.016 16.156 1.00 0.00 C ATOM 331 N4 DC B 3 1.620 -2.318 15.855 1.00 0.00 N ATOM 332 C5 DC B 3 0.601 -4.436 16.315 1.00 0.00 C ATOM 333 C6 DC B 3 -0.529 -5.072 16.685 1.00 0.00 C ATOM 0 H5' DC B 3 -2.113 -8.156 19.732 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.038 -9.257 18.732 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.221 -7.160 18.927 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.571 -8.286 16.327 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.313 -6.468 15.573 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.901 -5.759 15.353 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.763 -4.492 17.364 1.00 0.00 H new ATOM 0 H41 DC B 3 2.509 -2.799 15.721 1.00 0.00 H new ATOM 0 H42 DC B 3 1.569 -1.304 15.759 1.00 0.00 H new ATOM 0 H5 DC B 3 1.523 -4.973 16.147 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.499 -6.139 16.851 1.00 0.00 H new ATOM 345 P DT B 4 -6.156 -7.419 15.489 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.527 -7.840 15.855 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.408 -8.160 14.449 1.00 0.00 O ATOM 348 O5' DT B 4 -6.199 -5.863 15.073 1.00 0.00 O ATOM 349 C5' DT B 4 -6.682 -4.878 15.967 1.00 0.00 C ATOM 350 C4' DT B 4 -6.700 -3.501 15.302 1.00 0.00 C ATOM 351 O4' DT B 4 -5.377 -3.018 15.148 1.00 0.00 O ATOM 352 C3' DT B 4 -7.388 -3.510 13.936 1.00 0.00 C ATOM 353 O3' DT B 4 -8.505 -2.638 13.958 1.00 0.00 O ATOM 354 C2' DT B 4 -6.265 -3.080 12.990 1.00 0.00 C ATOM 355 C1' DT B 4 -5.250 -2.381 13.893 1.00 0.00 C ATOM 356 N1 DT B 4 -3.829 -2.507 13.449 1.00 0.00 N ATOM 357 C2 DT B 4 -3.042 -1.356 13.411 1.00 0.00 C ATOM 358 O2 DT B 4 -3.501 -0.220 13.497 1.00 0.00 O ATOM 359 N3 DT B 4 -1.677 -1.549 13.266 1.00 0.00 N ATOM 360 C4 DT B 4 -1.020 -2.766 13.169 1.00 0.00 C ATOM 361 O4 DT B 4 0.203 -2.788 13.045 1.00 0.00 O ATOM 362 C5 DT B 4 -1.899 -3.922 13.230 1.00 0.00 C ATOM 363 C7 DT B 4 -1.306 -5.327 13.251 1.00 0.00 C ATOM 364 C6 DT B 4 -3.243 -3.752 13.350 1.00 0.00 C ATOM 0 H5' DT B 4 -6.053 -4.849 16.857 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.687 -5.141 16.296 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.274 -2.847 15.958 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.808 -4.468 13.628 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.822 -3.938 12.484 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.635 -2.409 12.215 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.462 -1.312 13.893 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.097 -0.711 13.227 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.967 -5.993 13.805 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.197 -5.691 12.229 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.329 -5.302 13.733 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.877 -4.626 13.369 1.00 0.00 H new ATOM 377 P DA B 5 -9.366 -2.289 12.637 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.712 -1.841 13.059 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.226 -3.395 11.663 1.00 0.00 O ATOM 380 O5' DA B 5 -8.549 -1.012 12.088 1.00 0.00 O ATOM 381 C5' DA B 5 -8.444 0.150 12.882 1.00 0.00 C ATOM 382 C4' DA B 5 -7.689 1.283 12.211 1.00 0.00 C ATOM 383 O4' DA B 5 -6.306 1.004 12.123 1.00 0.00 O ATOM 384 C3' DA B 5 -8.226 1.551 10.803 1.00 0.00 C ATOM 385 O3' DA B 5 -8.575 2.918 10.777 1.00 0.00 O ATOM 386 C2' DA B 5 -7.083 1.050 9.938 1.00 0.00 C ATOM 387 C1' DA B 5 -5.875 1.327 10.818 1.00 0.00 C ATOM 388 N9 DA B 5 -4.707 0.483 10.504 1.00 0.00 N ATOM 389 C8 DA B 5 -4.653 -0.874 10.333 1.00 0.00 C ATOM 390 N7 DA B 5 -3.445 -1.357 10.225 1.00 0.00 N ATOM 391 C5 DA B 5 -2.635 -0.229 10.319 1.00 0.00 C ATOM 392 C6 DA B 5 -1.238 -0.029 10.277 1.00 0.00 C ATOM 393 N6 DA B 5 -0.360 -1.034 10.173 1.00 0.00 N ATOM 394 N1 DA B 5 -0.774 1.235 10.339 1.00 0.00 N ATOM 395 C2 DA B 5 -1.642 2.237 10.481 1.00 0.00 C ATOM 396 N3 DA B 5 -2.961 2.176 10.590 1.00 0.00 N ATOM 397 C4 DA B 5 -3.402 0.896 10.489 1.00 0.00 C ATOM 0 H5' DA B 5 -7.944 -0.104 13.817 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.445 0.495 13.139 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.839 2.166 12.832 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.133 1.060 10.451 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.183 -0.010 9.704 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.027 1.582 8.988 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.552 2.359 10.679 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.537 -1.494 10.291 1.00 0.00 H new ATOM 0 H61 DA B 5 0.640 -0.837 10.147 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.691 -1.997 10.120 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.214 3.228 10.511 1.00 0.00 H new ATOM 409 P DG B 6 -9.197 3.631 9.488 1.00 0.00 P ATOM 410 OP1 DG B 6 -10.067 4.747 9.923 1.00 0.00 O ATOM 411 OP2 DG B 6 -9.700 2.609 8.543 1.00 0.00 O ATOM 412 O5' DG B 6 -7.827 4.222 8.936 1.00 0.00 O ATOM 413 C5' DG B 6 -7.131 5.233 9.638 1.00 0.00 C ATOM 414 C4' DG B 6 -5.813 5.479 8.914 1.00 0.00 C ATOM 415 O4' DG B 6 -4.928 4.374 9.109 1.00 0.00 O ATOM 416 C3' DG B 6 -6.077 5.622 7.405 1.00 0.00 C ATOM 417 O3' DG B 6 -5.569 6.832 6.884 1.00 0.00 O ATOM 418 C2' DG B 6 -5.393 4.368 6.902 1.00 0.00 C ATOM 419 C1' DG B 6 -4.262 4.174 7.883 1.00 0.00 C ATOM 420 N9 DG B 6 -3.634 2.851 7.662 1.00 0.00 N ATOM 421 C8 DG B 6 -4.220 1.617 7.502 1.00 0.00 C ATOM 422 N7 DG B 6 -3.382 0.647 7.281 1.00 0.00 N ATOM 423 C5 DG B 6 -2.148 1.281 7.262 1.00 0.00 C ATOM 424 C6 DG B 6 -0.849 0.735 7.066 1.00 0.00 C ATOM 425 O6 DG B 6 -0.548 -0.448 6.946 1.00 0.00 O ATOM 426 N1 DG B 6 0.135 1.718 7.017 1.00 0.00 N ATOM 427 C2 DG B 6 -0.098 3.071 7.167 1.00 0.00 C ATOM 428 N2 DG B 6 0.953 3.890 7.053 1.00 0.00 N ATOM 429 N3 DG B 6 -1.317 3.581 7.396 1.00 0.00 N ATOM 430 C4 DG B 6 -2.296 2.637 7.433 1.00 0.00 C ATOM 0 H5' DG B 6 -6.950 4.927 10.668 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.722 6.148 9.676 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.362 6.388 9.313 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.123 5.690 7.107 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.071 3.515 6.896 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.026 4.491 5.883 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.405 4.843 7.807 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.288 1.466 7.555 1.00 0.00 H new ATOM 0 H1 DG B 6 1.097 1.418 6.859 1.00 0.00 H new ATOM 0 H21 DG B 6 0.828 4.897 7.156 1.00 0.00 H new ATOM 0 H22 DG B 6 1.879 3.508 6.863 1.00 0.00 H new ATOM 442 P DC B 7 -5.662 7.192 5.308 1.00 0.00 P ATOM 443 OP1 DC B 7 -5.910 8.645 5.173 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.552 6.225 4.626 1.00 0.00 O ATOM 445 O5' DC B 7 -4.144 6.887 4.871 1.00 0.00 O ATOM 446 C5' DC B 7 -3.099 7.533 5.562 1.00 0.00 C ATOM 447 C4' DC B 7 -1.722 7.357 4.935 1.00 0.00 C ATOM 448 O4' DC B 7 -1.245 6.047 5.162 1.00 0.00 O ATOM 449 C3' DC B 7 -1.696 7.688 3.446 1.00 0.00 C ATOM 450 O3' DC B 7 -0.589 8.536 3.186 1.00 0.00 O ATOM 451 C2' DC B 7 -1.579 6.293 2.876 1.00 0.00 C ATOM 452 C1' DC B 7 -0.824 5.501 3.937 1.00 0.00 C ATOM 453 N1 DC B 7 -1.221 4.070 3.912 1.00 0.00 N ATOM 454 C2 DC B 7 -0.265 3.062 3.760 1.00 0.00 C ATOM 455 O2 DC B 7 0.922 3.322 3.576 1.00 0.00 O ATOM 456 N3 DC B 7 -0.680 1.762 3.820 1.00 0.00 N ATOM 457 C4 DC B 7 -1.973 1.454 4.020 1.00 0.00 C ATOM 458 N4 DC B 7 -2.331 0.170 4.108 1.00 0.00 N ATOM 459 C5 DC B 7 -2.960 2.476 4.208 1.00 0.00 C ATOM 460 C6 DC B 7 -2.534 3.752 4.152 1.00 0.00 C ATOM 0 H5' DC B 7 -3.069 7.156 6.584 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.324 8.598 5.621 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.060 8.074 5.421 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.542 8.233 3.028 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.561 5.861 2.684 1.00 0.00 H new ATOM 0 H2'' DC B 7 -1.041 6.297 1.928 1.00 0.00 H new ATOM 0 H1' DC B 7 0.253 5.557 3.776 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.309 -0.078 4.260 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.627 -0.563 4.024 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.997 2.234 4.386 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.247 4.549 4.300 1.00 0.00 H new ATOM 472 P DG B 8 -0.279 9.150 1.725 1.00 0.00 P ATOM 473 OP1 DG B 8 0.674 10.270 1.884 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.561 9.368 1.018 1.00 0.00 O ATOM 475 O5' DG B 8 0.492 7.934 1.008 1.00 0.00 O ATOM 476 C5' DG B 8 1.723 7.452 1.507 1.00 0.00 C ATOM 477 C4' DG B 8 2.208 6.255 0.683 1.00 0.00 C ATOM 478 O4' DG B 8 1.521 5.090 1.107 1.00 0.00 O ATOM 479 C3' DG B 8 1.983 6.397 -0.834 1.00 0.00 C ATOM 480 O3' DG B 8 3.144 6.032 -1.553 1.00 0.00 O ATOM 481 C2' DG B 8 0.872 5.384 -1.089 1.00 0.00 C ATOM 482 C1' DG B 8 1.230 4.336 -0.045 1.00 0.00 C ATOM 483 N9 DG B 8 0.167 3.340 0.210 1.00 0.00 N ATOM 484 C8 DG B 8 -1.192 3.509 0.312 1.00 0.00 C ATOM 485 N7 DG B 8 -1.841 2.413 0.595 1.00 0.00 N ATOM 486 C5 DG B 8 -0.846 1.443 0.687 1.00 0.00 C ATOM 487 C6 DG B 8 -0.931 0.046 0.985 1.00 0.00 C ATOM 488 O6 DG B 8 -1.936 -0.620 1.222 1.00 0.00 O ATOM 489 N1 DG B 8 0.316 -0.576 0.990 1.00 0.00 N ATOM 490 C2 DG B 8 1.510 0.069 0.727 1.00 0.00 C ATOM 491 N2 DG B 8 2.625 -0.666 0.748 1.00 0.00 N ATOM 492 N3 DG B 8 1.593 1.380 0.460 1.00 0.00 N ATOM 493 C4 DG B 8 0.386 2.006 0.456 1.00 0.00 C ATOM 0 H5' DG B 8 1.609 7.159 2.551 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.469 8.246 1.478 1.00 0.00 H new ATOM 0 H4' DG B 8 3.283 6.196 0.851 1.00 0.00 H new ATOM 0 H3' DG B 8 1.744 7.414 -1.144 1.00 0.00 H new ATOM 0 H2' DG B 8 -0.121 5.806 -0.933 1.00 0.00 H new ATOM 0 H2'' DG B 8 0.894 4.987 -2.104 1.00 0.00 H new ATOM 0 HO3' DG B 8 2.977 6.128 -2.514 1.00 0.00 H new ATOM 0 H1' DG B 8 2.063 3.722 -0.385 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.679 4.462 0.171 1.00 0.00 H new ATOM 0 H1 DG B 8 0.350 -1.573 1.202 1.00 0.00 H new ATOM 0 H21 DG B 8 3.527 -0.229 0.559 1.00 0.00 H new ATOM 0 H22 DG B 8 2.574 -1.664 0.953 1.00 0.00 H new TER 506 DG B 8