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 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.247 (180deg=-0.247) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.248 (180deg=-0.248) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.289 10.738 24.534 1.00 0.00 O ATOM 2 C5' DG A 1 5.121 11.449 24.886 1.00 0.00 C ATOM 3 C4' DG A 1 3.913 10.964 24.075 1.00 0.00 C ATOM 4 O4' DG A 1 4.145 11.173 22.689 1.00 0.00 O ATOM 5 C3' DG A 1 3.578 9.482 24.299 1.00 0.00 C ATOM 6 O3' DG A 1 2.174 9.313 24.402 1.00 0.00 O ATOM 7 C2' DG A 1 4.143 8.895 23.016 1.00 0.00 C ATOM 8 C1' DG A 1 3.801 9.985 22.010 1.00 0.00 C ATOM 9 N9 DG A 1 4.561 9.832 20.742 1.00 0.00 N ATOM 10 C8 DG A 1 5.924 9.809 20.541 1.00 0.00 C ATOM 11 N7 DG A 1 6.277 9.697 19.292 1.00 0.00 N ATOM 12 C5 DG A 1 5.071 9.651 18.604 1.00 0.00 C ATOM 13 C6 DG A 1 4.822 9.567 17.200 1.00 0.00 C ATOM 14 O6 DG A 1 5.646 9.515 16.290 1.00 0.00 O ATOM 15 N1 DG A 1 3.461 9.551 16.902 1.00 0.00 N ATOM 16 C2 DG A 1 2.454 9.623 17.849 1.00 0.00 C ATOM 17 N2 DG A 1 1.193 9.587 17.407 1.00 0.00 N ATOM 18 N3 DG A 1 2.689 9.724 19.167 1.00 0.00 N ATOM 19 C4 DG A 1 4.014 9.732 19.481 1.00 0.00 C ATOM 0 H5' DG A 1 5.274 12.514 24.714 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.922 11.324 25.950 1.00 0.00 H new ATOM 0 H4' DG A 1 3.061 11.547 24.425 1.00 0.00 H new ATOM 0 H3' DG A 1 3.974 9.027 25.207 1.00 0.00 H new ATOM 0 H2' DG A 1 5.217 8.720 23.083 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.680 7.942 22.762 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.045 11.067 25.064 1.00 0.00 H new ATOM 0 H1' DG A 1 2.756 9.960 21.702 1.00 0.00 H new ATOM 0 H8 DG A 1 6.638 9.878 21.349 1.00 0.00 H new ATOM 0 H1 DG A 1 3.189 9.482 15.921 1.00 0.00 H new ATOM 0 H21 DG A 1 0.419 9.637 18.069 1.00 0.00 H new ATOM 0 H22 DG A 1 1.005 9.509 16.407 1.00 0.00 H new ATOM 32 P DC A 2 1.483 7.865 24.607 1.00 0.00 P ATOM 33 OP1 DC A 2 0.441 7.999 25.649 1.00 0.00 O ATOM 34 OP2 DC A 2 2.544 6.845 24.761 1.00 0.00 O ATOM 35 O5' DC A 2 0.754 7.622 23.185 1.00 0.00 O ATOM 36 C5' DC A 2 -0.367 8.397 22.808 1.00 0.00 C ATOM 37 C4' DC A 2 -1.125 7.884 21.586 1.00 0.00 C ATOM 38 O4' DC A 2 -0.360 8.019 20.400 1.00 0.00 O ATOM 39 C3' DC A 2 -1.487 6.411 21.784 1.00 0.00 C ATOM 40 O3' DC A 2 -2.799 6.183 21.297 1.00 0.00 O ATOM 41 C2' DC A 2 -0.385 5.757 20.987 1.00 0.00 C ATOM 42 C1' DC A 2 -0.184 6.736 19.834 1.00 0.00 C ATOM 43 N1 DC A 2 1.187 6.623 19.289 1.00 0.00 N ATOM 44 C2 DC A 2 1.403 6.441 17.922 1.00 0.00 C ATOM 45 O2 DC A 2 0.472 6.433 17.119 1.00 0.00 O ATOM 46 N3 DC A 2 2.687 6.272 17.489 1.00 0.00 N ATOM 47 C4 DC A 2 3.716 6.252 18.352 1.00 0.00 C ATOM 48 N4 DC A 2 4.958 6.126 17.879 1.00 0.00 N ATOM 49 C5 DC A 2 3.500 6.459 19.755 1.00 0.00 C ATOM 50 C6 DC A 2 2.240 6.668 20.158 1.00 0.00 C ATOM 0 H5' DC A 2 -0.035 9.416 22.609 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.057 8.445 23.651 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.028 8.485 21.481 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.529 6.035 22.806 1.00 0.00 H new ATOM 0 H2' DC A 2 0.523 5.633 21.577 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.673 4.767 20.633 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.879 6.539 19.017 1.00 0.00 H new ATOM 0 H41 DC A 2 5.749 6.109 18.522 1.00 0.00 H new ATOM 0 H42 DC A 2 5.115 6.046 16.874 1.00 0.00 H new ATOM 0 H5 DC A 2 4.320 6.447 20.458 1.00 0.00 H new ATOM 0 H6 DC A 2 2.051 6.878 21.200 1.00 0.00 H new ATOM 62 P DG A 3 -3.423 4.706 21.092 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.887 4.793 21.287 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.633 3.732 21.877 1.00 0.00 O ATOM 65 O5' DG A 3 -3.132 4.464 19.521 1.00 0.00 O ATOM 66 C5' DG A 3 -3.787 5.259 18.550 1.00 0.00 C ATOM 67 C4' DG A 3 -3.571 4.779 17.124 1.00 0.00 C ATOM 68 O4' DG A 3 -2.207 4.829 16.750 1.00 0.00 O ATOM 69 C3' DG A 3 -4.102 3.350 17.015 1.00 0.00 C ATOM 70 O3' DG A 3 -5.118 3.269 16.030 1.00 0.00 O ATOM 71 C2' DG A 3 -2.824 2.596 16.700 1.00 0.00 C ATOM 72 C1' DG A 3 -1.866 3.619 16.108 1.00 0.00 C ATOM 73 N9 DG A 3 -0.449 3.319 16.410 1.00 0.00 N ATOM 74 C8 DG A 3 0.139 3.165 17.639 1.00 0.00 C ATOM 75 N7 DG A 3 1.441 3.203 17.623 1.00 0.00 N ATOM 76 C5 DG A 3 1.743 3.362 16.277 1.00 0.00 C ATOM 77 C6 DG A 3 3.005 3.523 15.637 1.00 0.00 C ATOM 78 O6 DG A 3 4.103 3.680 16.166 1.00 0.00 O ATOM 79 N1 DG A 3 2.899 3.489 14.249 1.00 0.00 N ATOM 80 C2 DG A 3 1.703 3.416 13.556 1.00 0.00 C ATOM 81 N2 DG A 3 1.762 3.406 12.221 1.00 0.00 N ATOM 82 N3 DG A 3 0.507 3.387 14.163 1.00 0.00 N ATOM 83 C4 DG A 3 0.596 3.351 15.520 1.00 0.00 C ATOM 0 H5' DG A 3 -3.434 6.287 18.636 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.856 5.270 18.763 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.107 5.439 16.443 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.603 2.947 17.895 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.406 2.145 17.600 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.013 1.786 15.996 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.956 3.638 15.022 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.430 3.024 18.546 1.00 0.00 H new ATOM 0 H1 DG A 3 3.762 3.520 13.706 1.00 0.00 H new ATOM 0 H21 DG A 3 0.903 3.353 11.673 1.00 0.00 H new ATOM 0 H22 DG A 3 2.666 3.451 11.750 1.00 0.00 H new ATOM 95 P DT A 4 -5.846 1.874 15.646 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.084 2.187 14.898 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.903 1.013 16.848 1.00 0.00 O ATOM 98 O5' DT A 4 -4.775 1.250 14.617 1.00 0.00 O ATOM 99 C5' DT A 4 -4.402 1.981 13.471 1.00 0.00 C ATOM 100 C4' DT A 4 -3.201 1.405 12.729 1.00 0.00 C ATOM 101 O4' DT A 4 -2.041 1.541 13.521 1.00 0.00 O ATOM 102 C3' DT A 4 -3.352 -0.074 12.345 1.00 0.00 C ATOM 103 O3' DT A 4 -3.380 -0.187 10.934 1.00 0.00 O ATOM 104 C2' DT A 4 -2.123 -0.697 13.007 1.00 0.00 C ATOM 105 C1' DT A 4 -1.180 0.491 13.159 1.00 0.00 C ATOM 106 N1 DT A 4 -0.179 0.236 14.218 1.00 0.00 N ATOM 107 C2 DT A 4 1.180 0.205 13.905 1.00 0.00 C ATOM 108 O2 DT A 4 1.613 0.241 12.756 1.00 0.00 O ATOM 109 N3 DT A 4 2.048 0.129 14.986 1.00 0.00 N ATOM 110 C4 DT A 4 1.680 0.033 16.322 1.00 0.00 C ATOM 111 O4 DT A 4 2.540 -0.001 17.197 1.00 0.00 O ATOM 112 C5 DT A 4 0.245 -0.017 16.543 1.00 0.00 C ATOM 113 C7 DT A 4 -0.315 -0.182 17.937 1.00 0.00 C ATOM 114 C6 DT A 4 -0.615 0.090 15.506 1.00 0.00 C ATOM 0 H5' DT A 4 -4.177 3.006 13.765 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.251 2.024 12.788 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.127 1.973 11.802 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.268 -0.568 12.670 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.367 -1.145 13.970 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.687 -1.483 12.391 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.607 0.702 12.256 1.00 0.00 H new ATOM 0 H3 DT A 4 3.047 0.145 14.780 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.285 0.311 18.000 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.432 -1.243 18.159 1.00 0.00 H new ATOM 0 H73 DT A 4 0.367 0.267 18.659 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.677 0.059 15.700 1.00 0.00 H new ATOM 127 P DA A 5 -3.500 -1.609 10.182 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.128 -1.384 8.862 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.082 -2.597 11.119 1.00 0.00 O ATOM 130 O5' DA A 5 -1.951 -1.982 9.951 1.00 0.00 O ATOM 131 C5' DA A 5 -1.138 -1.213 9.087 1.00 0.00 C ATOM 132 C4' DA A 5 0.265 -1.815 9.011 1.00 0.00 C ATOM 133 O4' DA A 5 0.929 -1.704 10.259 1.00 0.00 O ATOM 134 C3' DA A 5 0.242 -3.300 8.614 1.00 0.00 C ATOM 135 O3' DA A 5 1.000 -3.444 7.426 1.00 0.00 O ATOM 136 C2' DA A 5 0.831 -3.971 9.860 1.00 0.00 C ATOM 137 C1' DA A 5 1.716 -2.863 10.439 1.00 0.00 C ATOM 138 N9 DA A 5 1.997 -3.049 11.879 1.00 0.00 N ATOM 139 C8 DA A 5 1.069 -3.252 12.857 1.00 0.00 C ATOM 140 N7 DA A 5 1.513 -3.131 14.074 1.00 0.00 N ATOM 141 C5 DA A 5 2.866 -2.877 13.889 1.00 0.00 C ATOM 142 C6 DA A 5 3.922 -2.646 14.793 1.00 0.00 C ATOM 143 N6 DA A 5 3.728 -2.539 16.111 1.00 0.00 N ATOM 144 N1 DA A 5 5.168 -2.502 14.303 1.00 0.00 N ATOM 145 C2 DA A 5 5.349 -2.556 12.985 1.00 0.00 C ATOM 146 N3 DA A 5 4.434 -2.711 12.028 1.00 0.00 N ATOM 147 C4 DA A 5 3.187 -2.872 12.553 1.00 0.00 C ATOM 0 H5' DA A 5 -1.082 -0.185 9.446 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.582 -1.179 8.092 1.00 0.00 H new ATOM 0 H4' DA A 5 0.796 -1.251 8.244 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.725 -3.742 8.373 1.00 0.00 H new ATOM 0 H2' DA A 5 0.055 -4.280 10.561 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.407 -4.862 9.609 1.00 0.00 H new ATOM 0 H1' DA A 5 2.692 -2.833 9.955 1.00 0.00 H new ATOM 0 H8 DA A 5 0.040 -3.496 12.637 1.00 0.00 H new ATOM 0 H61 DA A 5 4.520 -2.372 16.731 1.00 0.00 H new ATOM 0 H62 DA A 5 2.788 -2.625 16.497 1.00 0.00 H new ATOM 0 H2 DA A 5 6.370 -2.462 12.647 1.00 0.00 H new ATOM 159 P DC A 6 1.275 -4.871 6.728 1.00 0.00 P ATOM 160 OP1 DC A 6 1.622 -4.636 5.309 1.00 0.00 O ATOM 161 OP2 DC A 6 0.178 -5.799 7.080 1.00 0.00 O ATOM 162 O5' DC A 6 2.604 -5.329 7.505 1.00 0.00 O ATOM 163 C5' DC A 6 3.776 -4.539 7.465 1.00 0.00 C ATOM 164 C4' DC A 6 4.814 -5.103 8.431 1.00 0.00 C ATOM 165 O4' DC A 6 4.327 -4.937 9.743 1.00 0.00 O ATOM 166 C3' DC A 6 5.164 -6.584 8.266 1.00 0.00 C ATOM 167 O3' DC A 6 6.370 -6.766 7.542 1.00 0.00 O ATOM 168 C2' DC A 6 5.227 -7.082 9.708 1.00 0.00 C ATOM 169 C1' DC A 6 5.047 -5.832 10.550 1.00 0.00 C ATOM 170 N1 DC A 6 4.327 -6.098 11.821 1.00 0.00 N ATOM 171 C2 DC A 6 5.000 -5.920 13.026 1.00 0.00 C ATOM 172 O2 DC A 6 6.217 -5.753 13.064 1.00 0.00 O ATOM 173 N3 DC A 6 4.280 -5.932 14.179 1.00 0.00 N ATOM 174 C4 DC A 6 2.956 -6.145 14.175 1.00 0.00 C ATOM 175 N4 DC A 6 2.303 -6.083 15.339 1.00 0.00 N ATOM 176 C5 DC A 6 2.248 -6.389 12.949 1.00 0.00 C ATOM 177 C6 DC A 6 2.978 -6.361 11.809 1.00 0.00 C ATOM 0 H5' DC A 6 3.540 -3.509 7.731 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.180 -4.522 6.453 1.00 0.00 H new ATOM 0 H4' DC A 6 5.729 -4.552 8.213 1.00 0.00 H new ATOM 0 H3' DC A 6 4.440 -7.144 7.674 1.00 0.00 H new ATOM 0 H2' DC A 6 4.444 -7.813 9.910 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.179 -7.569 9.919 1.00 0.00 H new ATOM 0 H1' DC A 6 6.014 -5.430 10.851 1.00 0.00 H new ATOM 0 H41 DC A 6 1.296 -6.240 15.368 1.00 0.00 H new ATOM 0 H42 DC A 6 2.812 -5.878 16.199 1.00 0.00 H new ATOM 0 H5 DC A 6 1.186 -6.585 12.937 1.00 0.00 H new ATOM 0 H6 DC A 6 2.487 -6.550 10.866 1.00 0.00 H new ATOM 189 P DG A 7 6.996 -8.234 7.262 1.00 0.00 P ATOM 190 OP1 DG A 7 7.955 -8.119 6.142 1.00 0.00 O ATOM 191 OP2 DG A 7 5.889 -9.213 7.185 1.00 0.00 O ATOM 192 O5' DG A 7 7.832 -8.524 8.614 1.00 0.00 O ATOM 193 C5' DG A 7 8.929 -7.707 8.971 1.00 0.00 C ATOM 194 C4' DG A 7 9.556 -8.092 10.311 1.00 0.00 C ATOM 195 O4' DG A 7 8.664 -7.817 11.381 1.00 0.00 O ATOM 196 C3' DG A 7 9.929 -9.581 10.356 1.00 0.00 C ATOM 197 O3' DG A 7 11.261 -9.735 10.815 1.00 0.00 O ATOM 198 C2' DG A 7 8.876 -10.108 11.319 1.00 0.00 C ATOM 199 C1' DG A 7 8.686 -8.924 12.256 1.00 0.00 C ATOM 200 N9 DG A 7 7.417 -9.019 13.009 1.00 0.00 N ATOM 201 C8 DG A 7 6.179 -9.355 12.529 1.00 0.00 C ATOM 202 N7 DG A 7 5.212 -9.221 13.392 1.00 0.00 N ATOM 203 C5 DG A 7 5.862 -8.808 14.550 1.00 0.00 C ATOM 204 C6 DG A 7 5.335 -8.536 15.848 1.00 0.00 C ATOM 205 O6 DG A 7 4.158 -8.508 16.193 1.00 0.00 O ATOM 206 N1 DG A 7 6.333 -8.280 16.785 1.00 0.00 N ATOM 207 C2 DG A 7 7.685 -8.261 16.499 1.00 0.00 C ATOM 208 N2 DG A 7 8.522 -8.034 17.516 1.00 0.00 N ATOM 209 N3 DG A 7 8.178 -8.460 15.267 1.00 0.00 N ATOM 210 C4 DG A 7 7.220 -8.734 14.341 1.00 0.00 C ATOM 0 H5' DG A 7 8.601 -6.669 9.016 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.688 -7.768 8.191 1.00 0.00 H new ATOM 0 H4' DG A 7 10.462 -7.495 10.418 1.00 0.00 H new ATOM 0 H3' DG A 7 9.924 -10.110 9.403 1.00 0.00 H new ATOM 0 H2' DG A 7 7.952 -10.376 10.807 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.216 -10.998 11.849 1.00 0.00 H new ATOM 0 H1' DG A 7 9.467 -8.864 13.014 1.00 0.00 H new ATOM 0 H8 DG A 7 6.018 -9.702 11.519 1.00 0.00 H new ATOM 0 H1 DG A 7 6.047 -8.094 17.746 1.00 0.00 H new ATOM 0 H21 DG A 7 9.529 -8.011 17.353 1.00 0.00 H new ATOM 0 H22 DG A 7 8.154 -7.884 18.455 1.00 0.00 H new ATOM 222 P DC A 8 11.940 -11.188 11.009 1.00 0.00 P ATOM 223 OP1 DC A 8 13.409 -11.032 10.912 1.00 0.00 O ATOM 224 OP2 DC A 8 11.243 -12.162 10.140 1.00 0.00 O ATOM 225 O5' DC A 8 11.563 -11.513 12.540 1.00 0.00 O ATOM 226 C5' DC A 8 12.201 -10.831 13.600 1.00 0.00 C ATOM 227 C4' DC A 8 11.564 -11.174 14.948 1.00 0.00 C ATOM 228 O4' DC A 8 10.212 -10.782 14.957 1.00 0.00 O ATOM 229 C3' DC A 8 11.544 -12.665 15.284 1.00 0.00 C ATOM 230 O3' DC A 8 12.752 -13.101 15.870 1.00 0.00 O ATOM 231 C2' DC A 8 10.372 -12.760 16.259 1.00 0.00 C ATOM 232 C1' DC A 8 9.593 -11.458 16.032 1.00 0.00 C ATOM 233 N1 DC A 8 8.161 -11.720 15.727 1.00 0.00 N ATOM 234 C2 DC A 8 7.206 -11.532 16.727 1.00 0.00 C ATOM 235 O2 DC A 8 7.528 -11.232 17.875 1.00 0.00 O ATOM 236 N3 DC A 8 5.892 -11.686 16.406 1.00 0.00 N ATOM 237 C4 DC A 8 5.511 -12.026 15.165 1.00 0.00 C ATOM 238 N4 DC A 8 4.204 -12.108 14.901 1.00 0.00 N ATOM 239 C5 DC A 8 6.479 -12.265 14.130 1.00 0.00 C ATOM 240 C6 DC A 8 7.781 -12.098 14.461 1.00 0.00 C ATOM 0 H5' DC A 8 12.142 -9.756 13.431 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.259 -11.093 13.619 1.00 0.00 H new ATOM 0 H4' DC A 8 12.183 -10.649 15.675 1.00 0.00 H new ATOM 0 H3' DC A 8 11.437 -13.302 14.406 1.00 0.00 H new ATOM 0 H2' DC A 8 9.754 -13.635 16.056 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.716 -12.845 17.290 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.692 -14.059 16.069 1.00 0.00 H new ATOM 0 H1' DC A 8 9.612 -10.853 16.938 1.00 0.00 H new ATOM 0 H41 DC A 8 3.888 -12.364 13.966 1.00 0.00 H new ATOM 0 H42 DC A 8 3.522 -11.914 15.635 1.00 0.00 H new ATOM 0 H5 DC A 8 6.182 -12.564 13.136 1.00 0.00 H new ATOM 0 H6 DC A 8 8.540 -12.266 13.712 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.731 -10.975 24.298 1.00 0.00 O ATOM 255 C5' DG B 1 -0.874 -11.569 25.251 1.00 0.00 C ATOM 256 C4' DG B 1 0.583 -11.140 25.042 1.00 0.00 C ATOM 257 O4' DG B 1 1.039 -11.562 23.763 1.00 0.00 O ATOM 258 C3' DG B 1 0.807 -9.625 25.167 1.00 0.00 C ATOM 259 O3' DG B 1 1.985 -9.369 25.913 1.00 0.00 O ATOM 260 C2' DG B 1 0.958 -9.266 23.698 1.00 0.00 C ATOM 261 C1' DG B 1 1.714 -10.475 23.167 1.00 0.00 C ATOM 262 N9 DG B 1 1.678 -10.548 21.684 1.00 0.00 N ATOM 263 C8 DG B 1 0.590 -10.618 20.842 1.00 0.00 C ATOM 264 N7 DG B 1 0.898 -10.705 19.579 1.00 0.00 N ATOM 265 C5 DG B 1 2.287 -10.702 19.570 1.00 0.00 C ATOM 266 C6 DG B 1 3.194 -10.811 18.473 1.00 0.00 C ATOM 267 O6 DG B 1 2.923 -10.929 17.280 1.00 0.00 O ATOM 268 N1 DG B 1 4.526 -10.775 18.879 1.00 0.00 N ATOM 269 C2 DG B 1 4.937 -10.662 20.195 1.00 0.00 C ATOM 270 N2 DG B 1 6.254 -10.630 20.427 1.00 0.00 N ATOM 271 N3 DG B 1 4.084 -10.581 21.229 1.00 0.00 N ATOM 272 C4 DG B 1 2.775 -10.607 20.852 1.00 0.00 C ATOM 0 H5' DG B 1 -0.948 -12.654 25.182 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.196 -11.291 26.255 1.00 0.00 H new ATOM 0 H4' DG B 1 1.150 -11.619 25.840 1.00 0.00 H new ATOM 0 H3' DG B 1 0.030 -9.061 25.684 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.006 -9.136 23.206 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.515 -8.340 23.557 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.652 -11.270 24.457 1.00 0.00 H new ATOM 0 H1' DG B 1 2.777 -10.449 23.409 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.430 -10.602 21.198 1.00 0.00 H new ATOM 0 H1 DG B 1 5.246 -10.836 18.159 1.00 0.00 H new ATOM 0 H21 DG B 1 6.602 -10.547 21.382 1.00 0.00 H new ATOM 0 H22 DG B 1 6.910 -10.688 19.649 1.00 0.00 H new ATOM 285 P DC B 2 2.526 -7.872 26.202 1.00 0.00 P ATOM 286 OP1 DC B 2 2.918 -7.795 27.627 1.00 0.00 O ATOM 287 OP2 DC B 2 1.556 -6.897 25.656 1.00 0.00 O ATOM 288 O5' DC B 2 3.866 -7.807 25.300 1.00 0.00 O ATOM 289 C5' DC B 2 5.004 -8.572 25.645 1.00 0.00 C ATOM 290 C4' DC B 2 6.279 -8.210 24.886 1.00 0.00 C ATOM 291 O4' DC B 2 6.190 -8.561 23.515 1.00 0.00 O ATOM 292 C3' DC B 2 6.541 -6.708 25.005 1.00 0.00 C ATOM 293 O3' DC B 2 7.929 -6.490 25.195 1.00 0.00 O ATOM 294 C2' DC B 2 5.992 -6.238 23.679 1.00 0.00 C ATOM 295 C1' DC B 2 6.353 -7.388 22.744 1.00 0.00 C ATOM 296 N1 DC B 2 5.430 -7.426 21.588 1.00 0.00 N ATOM 297 C2 DC B 2 5.918 -7.455 20.280 1.00 0.00 C ATOM 298 O2 DC B 2 7.122 -7.520 20.044 1.00 0.00 O ATOM 299 N3 DC B 2 5.016 -7.412 19.255 1.00 0.00 N ATOM 300 C4 DC B 2 3.697 -7.317 19.491 1.00 0.00 C ATOM 301 N4 DC B 2 2.851 -7.318 18.458 1.00 0.00 N ATOM 302 C5 DC B 2 3.191 -7.310 20.833 1.00 0.00 C ATOM 303 C6 DC B 2 4.086 -7.397 21.827 1.00 0.00 C ATOM 0 H5' DC B 2 4.782 -9.625 25.471 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.190 -8.458 26.713 1.00 0.00 H new ATOM 0 H4' DC B 2 7.100 -8.773 25.329 1.00 0.00 H new ATOM 0 H3' DC B 2 6.088 -6.180 25.844 1.00 0.00 H new ATOM 0 H2' DC B 2 4.915 -6.073 23.722 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.446 -5.299 23.362 1.00 0.00 H new ATOM 0 H1' DC B 2 7.365 -7.282 22.353 1.00 0.00 H new ATOM 0 H41 DC B 2 1.847 -7.247 18.621 1.00 0.00 H new ATOM 0 H42 DC B 2 3.209 -7.390 17.506 1.00 0.00 H new ATOM 0 H5 DC B 2 2.132 -7.238 21.034 1.00 0.00 H new ATOM 0 H6 DC B 2 3.734 -7.446 22.847 1.00 0.00 H new ATOM 315 P DG B 3 8.618 -5.032 25.092 1.00 0.00 P ATOM 316 OP1 DG B 3 9.793 -5.014 25.991 1.00 0.00 O ATOM 317 OP2 DG B 3 7.575 -3.991 25.223 1.00 0.00 O ATOM 318 O5' DG B 3 9.146 -5.048 23.565 1.00 0.00 O ATOM 319 C5' DG B 3 10.165 -5.953 23.179 1.00 0.00 C ATOM 320 C4' DG B 3 10.695 -5.708 21.776 1.00 0.00 C ATOM 321 O4' DG B 3 9.689 -5.877 20.794 1.00 0.00 O ATOM 322 C3' DG B 3 11.263 -4.290 21.720 1.00 0.00 C ATOM 323 O3' DG B 3 12.634 -4.316 21.360 1.00 0.00 O ATOM 324 C2' DG B 3 10.332 -3.651 20.707 1.00 0.00 C ATOM 325 C1' DG B 3 9.749 -4.795 19.890 1.00 0.00 C ATOM 326 N9 DG B 3 8.378 -4.516 19.410 1.00 0.00 N ATOM 327 C8 DG B 3 7.270 -4.203 20.154 1.00 0.00 C ATOM 328 N7 DG B 3 6.142 -4.299 19.510 1.00 0.00 N ATOM 329 C5 DG B 3 6.531 -4.676 18.231 1.00 0.00 C ATOM 330 C6 DG B 3 5.739 -4.989 17.089 1.00 0.00 C ATOM 331 O6 DG B 3 4.518 -5.111 17.032 1.00 0.00 O ATOM 332 N1 DG B 3 6.512 -5.164 15.945 1.00 0.00 N ATOM 333 C2 DG B 3 7.895 -5.145 15.923 1.00 0.00 C ATOM 334 N2 DG B 3 8.499 -5.341 14.747 1.00 0.00 N ATOM 335 N3 DG B 3 8.642 -4.970 17.024 1.00 0.00 N ATOM 336 C4 DG B 3 7.902 -4.730 18.140 1.00 0.00 C ATOM 0 H5' DG B 3 9.778 -6.970 23.240 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.990 -5.882 23.888 1.00 0.00 H new ATOM 0 H4' DG B 3 11.473 -6.440 21.558 1.00 0.00 H new ATOM 0 H3' DG B 3 11.282 -3.734 22.657 1.00 0.00 H new ATOM 0 H2' DG B 3 9.544 -3.086 21.204 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.872 -2.951 20.069 1.00 0.00 H new ATOM 0 H1' DG B 3 10.358 -4.975 19.004 1.00 0.00 H new ATOM 0 H8 DG B 3 7.328 -3.901 21.189 1.00 0.00 H new ATOM 0 H1 DG B 3 6.025 -5.317 15.062 1.00 0.00 H new ATOM 0 H21 DG B 3 9.517 -5.334 14.689 1.00 0.00 H new ATOM 0 H22 DG B 3 7.942 -5.497 13.907 1.00 0.00 H new ATOM 348 P DT B 4 13.506 -2.965 21.169 1.00 0.00 P ATOM 349 OP1 DT B 4 14.940 -3.332 21.183 1.00 0.00 O ATOM 350 OP2 DT B 4 12.998 -1.927 22.092 1.00 0.00 O ATOM 351 O5' DT B 4 13.101 -2.557 19.664 1.00 0.00 O ATOM 352 C5' DT B 4 13.311 -3.472 18.613 1.00 0.00 C ATOM 353 C4' DT B 4 12.650 -3.073 17.298 1.00 0.00 C ATOM 354 O4' DT B 4 11.246 -3.137 17.429 1.00 0.00 O ATOM 355 C3' DT B 4 13.026 -1.665 16.812 1.00 0.00 C ATOM 356 O3' DT B 4 13.746 -1.771 15.598 1.00 0.00 O ATOM 357 C2' DT B 4 11.654 -1.004 16.681 1.00 0.00 C ATOM 358 C1' DT B 4 10.713 -2.195 16.533 1.00 0.00 C ATOM 359 N1 DT B 4 9.332 -1.824 16.911 1.00 0.00 N ATOM 360 C2 DT B 4 8.304 -1.901 15.972 1.00 0.00 C ATOM 361 O2 DT B 4 8.489 -2.133 14.779 1.00 0.00 O ATOM 362 N3 DT B 4 7.021 -1.698 16.461 1.00 0.00 N ATOM 363 C4 DT B 4 6.689 -1.381 17.772 1.00 0.00 C ATOM 364 O4 DT B 4 5.512 -1.248 18.096 1.00 0.00 O ATOM 365 C5 DT B 4 7.831 -1.235 18.658 1.00 0.00 C ATOM 366 C7 DT B 4 7.641 -0.834 20.102 1.00 0.00 C ATOM 367 C6 DT B 4 9.085 -1.463 18.207 1.00 0.00 C ATOM 0 H5' DT B 4 12.933 -4.449 18.915 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.383 -3.581 18.450 1.00 0.00 H new ATOM 0 H4' DT B 4 13.018 -3.781 16.556 1.00 0.00 H new ATOM 0 H3' DT B 4 13.682 -1.086 17.462 1.00 0.00 H new ATOM 0 H2' DT B 4 11.410 -0.403 17.557 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.606 -0.342 15.817 1.00 0.00 H new ATOM 0 H1' DT B 4 10.648 -2.568 15.511 1.00 0.00 H new ATOM 0 H3 DT B 4 6.252 -1.790 15.797 1.00 0.00 H new ATOM 0 H71 DT B 4 8.436 -1.269 20.708 1.00 0.00 H new ATOM 0 H72 DT B 4 7.674 0.252 20.185 1.00 0.00 H new ATOM 0 H73 DT B 4 6.676 -1.196 20.456 1.00 0.00 H new ATOM 0 H6 DT B 4 9.915 -1.357 18.889 1.00 0.00 H new ATOM 380 P DA B 5 14.268 -0.478 14.787 1.00 0.00 P ATOM 381 OP1 DA B 5 15.460 -0.872 14.004 1.00 0.00 O ATOM 382 OP2 DA B 5 14.341 0.672 15.715 1.00 0.00 O ATOM 383 O5' DA B 5 13.050 -0.228 13.765 1.00 0.00 O ATOM 384 C5' DA B 5 12.744 -1.167 12.752 1.00 0.00 C ATOM 385 C4' DA B 5 11.587 -0.655 11.893 1.00 0.00 C ATOM 386 O4' DA B 5 10.390 -0.595 12.649 1.00 0.00 O ATOM 387 C3' DA B 5 11.862 0.745 11.321 1.00 0.00 C ATOM 388 O3' DA B 5 11.784 0.662 9.910 1.00 0.00 O ATOM 389 C2' DA B 5 10.768 1.582 11.994 1.00 0.00 C ATOM 390 C1' DA B 5 9.666 0.544 12.233 1.00 0.00 C ATOM 391 N9 DA B 5 8.723 0.946 13.298 1.00 0.00 N ATOM 392 C8 DA B 5 9.059 1.342 14.559 1.00 0.00 C ATOM 393 N7 DA B 5 8.070 1.393 15.404 1.00 0.00 N ATOM 394 C5 DA B 5 6.973 1.052 14.623 1.00 0.00 C ATOM 395 C6 DA B 5 5.601 0.920 14.916 1.00 0.00 C ATOM 396 N6 DA B 5 5.121 1.026 16.159 1.00 0.00 N ATOM 397 N1 DA B 5 4.752 0.650 13.908 1.00 0.00 N ATOM 398 C2 DA B 5 5.242 0.491 12.680 1.00 0.00 C ATOM 399 N3 DA B 5 6.514 0.533 12.284 1.00 0.00 N ATOM 400 C4 DA B 5 7.349 0.826 13.320 1.00 0.00 C ATOM 0 H5' DA B 5 12.478 -2.124 13.201 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.621 -1.340 12.129 1.00 0.00 H new ATOM 0 H4' DA B 5 11.484 -1.360 11.068 1.00 0.00 H new ATOM 0 H3' DA B 5 12.842 1.183 11.513 1.00 0.00 H new ATOM 0 H2' DA B 5 11.114 2.030 12.925 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.428 2.397 11.355 1.00 0.00 H new ATOM 0 H1' DA B 5 9.052 0.396 11.345 1.00 0.00 H new ATOM 0 H8 DA B 5 10.072 1.595 14.836 1.00 0.00 H new ATOM 0 H61 DA B 5 4.121 0.924 16.330 1.00 0.00 H new ATOM 0 H62 DA B 5 5.755 1.209 16.937 1.00 0.00 H new ATOM 0 H2 DA B 5 4.514 0.304 11.904 1.00 0.00 H new ATOM 412 P DC B 6 11.951 1.943 8.945 1.00 0.00 P ATOM 413 OP1 DC B 6 12.327 1.464 7.596 1.00 0.00 O ATOM 414 OP2 DC B 6 12.781 2.958 9.631 1.00 0.00 O ATOM 415 O5' DC B 6 10.435 2.472 8.891 1.00 0.00 O ATOM 416 C5' DC B 6 9.395 1.645 8.409 1.00 0.00 C ATOM 417 C4' DC B 6 8.046 2.318 8.646 1.00 0.00 C ATOM 418 O4' DC B 6 7.824 2.379 10.037 1.00 0.00 O ATOM 419 C3' DC B 6 7.888 3.740 8.104 1.00 0.00 C ATOM 420 O3' DC B 6 7.198 3.763 6.865 1.00 0.00 O ATOM 421 C2' DC B 6 7.153 4.456 9.235 1.00 0.00 C ATOM 422 C1' DC B 6 6.843 3.360 10.239 1.00 0.00 C ATOM 423 N1 DC B 6 6.861 3.850 11.640 1.00 0.00 N ATOM 424 C2 DC B 6 5.677 3.835 12.373 1.00 0.00 C ATOM 425 O2 DC B 6 4.592 3.628 11.837 1.00 0.00 O ATOM 426 N3 DC B 6 5.742 4.058 13.713 1.00 0.00 N ATOM 427 C4 DC B 6 6.906 4.322 14.323 1.00 0.00 C ATOM 428 N4 DC B 6 6.903 4.468 15.652 1.00 0.00 N ATOM 429 C5 DC B 6 8.133 4.399 13.579 1.00 0.00 C ATOM 430 C6 DC B 6 8.052 4.163 12.248 1.00 0.00 C ATOM 0 H5' DC B 6 9.423 0.679 8.913 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.534 1.453 7.345 1.00 0.00 H new ATOM 0 H4' DC B 6 7.329 1.707 8.098 1.00 0.00 H new ATOM 0 H3' DC B 6 8.833 4.226 7.862 1.00 0.00 H new ATOM 0 H2' DC B 6 7.771 5.237 9.678 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.242 4.935 8.876 1.00 0.00 H new ATOM 0 H1' DC B 6 5.836 2.973 10.087 1.00 0.00 H new ATOM 0 H41 DC B 6 7.773 4.669 16.145 1.00 0.00 H new ATOM 0 H42 DC B 6 6.031 4.378 16.173 1.00 0.00 H new ATOM 0 H5 DC B 6 9.073 4.633 14.057 1.00 0.00 H new ATOM 0 H6 DC B 6 8.948 4.223 11.648 1.00 0.00 H new ATOM 442 P DG B 7 6.856 5.146 6.093 1.00 0.00 P ATOM 443 OP1 DG B 7 6.559 4.822 4.680 1.00 0.00 O ATOM 444 OP2 DG B 7 7.906 6.139 6.414 1.00 0.00 O ATOM 445 O5' DG B 7 5.483 5.616 6.802 1.00 0.00 O ATOM 446 C5' DG B 7 4.314 4.829 6.698 1.00 0.00 C ATOM 447 C4' DG B 7 3.132 5.397 7.487 1.00 0.00 C ATOM 448 O4' DG B 7 3.377 5.322 8.883 1.00 0.00 O ATOM 449 C3' DG B 7 2.854 6.861 7.117 1.00 0.00 C ATOM 450 O3' DG B 7 1.476 7.038 6.837 1.00 0.00 O ATOM 451 C2' DG B 7 3.327 7.567 8.379 1.00 0.00 C ATOM 452 C1' DG B 7 2.980 6.549 9.455 1.00 0.00 C ATOM 453 N9 DG B 7 3.723 6.804 10.709 1.00 0.00 N ATOM 454 C8 DG B 7 5.051 7.105 10.851 1.00 0.00 C ATOM 455 N7 DG B 7 5.465 7.143 12.086 1.00 0.00 N ATOM 456 C5 DG B 7 4.314 6.893 12.825 1.00 0.00 C ATOM 457 C6 DG B 7 4.126 6.847 14.239 1.00 0.00 C ATOM 458 O6 DG B 7 4.981 6.918 15.115 1.00 0.00 O ATOM 459 N1 DG B 7 2.787 6.704 14.593 1.00 0.00 N ATOM 460 C2 DG B 7 1.748 6.590 13.689 1.00 0.00 C ATOM 461 N2 DG B 7 0.511 6.495 14.186 1.00 0.00 N ATOM 462 N3 DG B 7 1.930 6.577 12.359 1.00 0.00 N ATOM 463 C4 DG B 7 3.231 6.738 11.991 1.00 0.00 C ATOM 0 H5' DG B 7 4.529 3.821 7.054 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.034 4.743 5.648 1.00 0.00 H new ATOM 0 H4' DG B 7 2.262 4.794 7.228 1.00 0.00 H new ATOM 0 H3' DG B 7 3.348 7.236 6.220 1.00 0.00 H new ATOM 0 H2' DG B 7 4.395 7.783 8.350 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.813 8.516 8.533 1.00 0.00 H new ATOM 0 H1' DG B 7 1.926 6.578 9.731 1.00 0.00 H new ATOM 0 H8 DG B 7 5.701 7.295 10.010 1.00 0.00 H new ATOM 0 H1 DG B 7 2.557 6.682 15.587 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.287 6.409 13.556 1.00 0.00 H new ATOM 0 H22 DG B 7 0.365 6.508 15.195 1.00 0.00 H new ATOM 475 P DC B 8 0.855 8.479 6.451 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.385 8.259 5.675 1.00 0.00 O ATOM 477 OP2 DC B 8 1.931 9.330 5.896 1.00 0.00 O ATOM 478 O5' DC B 8 0.454 9.051 7.902 1.00 0.00 O ATOM 479 C5' DC B 8 -0.651 8.521 8.605 1.00 0.00 C ATOM 480 C4' DC B 8 -0.737 9.092 10.022 1.00 0.00 C ATOM 481 O4' DC B 8 0.419 8.753 10.750 1.00 0.00 O ATOM 482 C3' DC B 8 -0.813 10.617 10.093 1.00 0.00 C ATOM 483 O3' DC B 8 -2.131 11.098 9.937 1.00 0.00 O ATOM 484 C2' DC B 8 -0.264 10.902 11.490 1.00 0.00 C ATOM 485 C1' DC B 8 0.465 9.608 11.873 1.00 0.00 C ATOM 486 N1 DC B 8 1.874 9.868 12.271 1.00 0.00 N ATOM 487 C2 DC B 8 2.209 9.874 13.626 1.00 0.00 C ATOM 488 O2 DC B 8 1.354 9.747 14.500 1.00 0.00 O ATOM 489 N3 DC B 8 3.519 10.023 13.970 1.00 0.00 N ATOM 490 C4 DC B 8 4.472 10.176 13.039 1.00 0.00 C ATOM 491 N4 DC B 8 5.744 10.262 13.439 1.00 0.00 N ATOM 492 C5 DC B 8 4.145 10.215 11.640 1.00 0.00 C ATOM 493 C6 DC B 8 2.841 10.056 11.313 1.00 0.00 C ATOM 0 H5' DC B 8 -0.567 7.435 8.653 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.570 8.746 8.064 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.656 8.666 10.424 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.260 11.113 9.295 1.00 0.00 H new ATOM 0 H2' DC B 8 0.414 11.756 11.486 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.064 11.133 12.194 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.131 12.077 9.991 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.022 9.150 12.734 1.00 0.00 H new ATOM 0 H41 DC B 8 6.488 10.379 12.751 1.00 0.00 H new ATOM 0 H42 DC B 8 5.971 10.211 14.432 1.00 0.00 H new ATOM 0 H5 DC B 8 4.903 10.364 10.886 1.00 0.00 H new ATOM 0 H6 DC B 8 2.553 10.077 10.272 1.00 0.00 H new TER 506 DC B 8