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= -0.261 (180deg=-0.261) 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= -0.267 (180deg=-0.267) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.312 10.909 24.468 1.00 0.00 O ATOM 2 C5' DG A 1 5.145 11.641 24.779 1.00 0.00 C ATOM 3 C4' DG A 1 3.942 11.143 23.968 1.00 0.00 C ATOM 4 O4' DG A 1 4.179 11.328 22.578 1.00 0.00 O ATOM 5 C3' DG A 1 3.604 9.665 24.215 1.00 0.00 C ATOM 6 O3' DG A 1 2.200 9.500 24.320 1.00 0.00 O ATOM 7 C2' DG A 1 4.169 9.057 22.942 1.00 0.00 C ATOM 8 C1' DG A 1 3.829 10.130 21.919 1.00 0.00 C ATOM 9 N9 DG A 1 4.587 9.954 20.653 1.00 0.00 N ATOM 10 C8 DG A 1 5.950 9.924 20.451 1.00 0.00 C ATOM 11 N7 DG A 1 6.301 9.787 19.204 1.00 0.00 N ATOM 12 C5 DG A 1 5.094 9.730 18.518 1.00 0.00 C ATOM 13 C6 DG A 1 4.843 9.619 17.117 1.00 0.00 C ATOM 14 O6 DG A 1 5.667 9.546 16.208 1.00 0.00 O ATOM 15 N1 DG A 1 3.482 9.600 16.821 1.00 0.00 N ATOM 16 C2 DG A 1 2.477 9.693 17.767 1.00 0.00 C ATOM 17 N2 DG A 1 1.215 9.651 17.327 1.00 0.00 N ATOM 18 N3 DG A 1 2.713 9.819 19.083 1.00 0.00 N ATOM 19 C4 DG A 1 4.039 9.831 19.395 1.00 0.00 C ATOM 0 H5' DG A 1 5.311 12.699 24.575 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.930 11.552 25.844 1.00 0.00 H new ATOM 0 H4' DG A 1 3.090 11.734 24.304 1.00 0.00 H new ATOM 0 H3' DG A 1 3.999 9.224 25.130 1.00 0.00 H new ATOM 0 H2' DG A 1 5.243 8.882 23.012 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.705 8.100 22.703 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.063 11.249 24.998 1.00 0.00 H new ATOM 0 H1' DG A 1 2.783 10.103 21.613 1.00 0.00 H new ATOM 0 H8 DG A 1 6.665 10.007 21.256 1.00 0.00 H new ATOM 0 H1 DG A 1 3.208 9.512 15.842 1.00 0.00 H new ATOM 0 H21 DG A 1 0.442 9.716 17.989 1.00 0.00 H new ATOM 0 H22 DG A 1 1.026 9.554 16.329 1.00 0.00 H new ATOM 32 P DC A 2 1.507 8.057 24.551 1.00 0.00 P ATOM 33 OP1 DC A 2 0.467 8.210 25.591 1.00 0.00 O ATOM 34 OP2 DC A 2 2.567 7.037 24.720 1.00 0.00 O ATOM 35 O5' DC A 2 0.777 7.791 23.133 1.00 0.00 O ATOM 36 C5' DC A 2 -0.345 8.560 22.745 1.00 0.00 C ATOM 37 C4' DC A 2 -1.105 8.025 21.533 1.00 0.00 C ATOM 38 O4' DC A 2 -0.343 8.139 20.344 1.00 0.00 O ATOM 39 C3' DC A 2 -1.467 6.556 21.760 1.00 0.00 C ATOM 40 O3' DC A 2 -2.781 6.319 21.282 1.00 0.00 O ATOM 41 C2' DC A 2 -0.367 5.888 20.971 1.00 0.00 C ATOM 42 C1' DC A 2 -0.169 6.846 19.800 1.00 0.00 C ATOM 43 N1 DC A 2 1.200 6.722 19.253 1.00 0.00 N ATOM 44 C2 DC A 2 1.413 6.512 17.890 1.00 0.00 C ATOM 45 O2 DC A 2 0.481 6.490 17.089 1.00 0.00 O ATOM 46 N3 DC A 2 2.697 6.331 17.458 1.00 0.00 N ATOM 47 C4 DC A 2 3.727 6.328 18.320 1.00 0.00 C ATOM 48 N4 DC A 2 4.968 6.188 17.846 1.00 0.00 N ATOM 49 C5 DC A 2 3.515 6.566 19.718 1.00 0.00 C ATOM 50 C6 DC A 2 2.255 6.785 20.119 1.00 0.00 C ATOM 0 H5' DC A 2 -0.013 9.575 22.528 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.033 8.623 23.588 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.008 8.624 21.417 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.507 6.198 22.789 1.00 0.00 H new ATOM 0 H2' DC A 2 0.543 5.774 21.560 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.656 4.892 20.636 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.866 6.636 18.989 1.00 0.00 H new ATOM 0 H41 DC A 2 5.761 6.184 18.487 1.00 0.00 H new ATOM 0 H42 DC A 2 5.122 6.085 16.843 1.00 0.00 H new ATOM 0 H5 DC A 2 4.337 6.569 20.419 1.00 0.00 H new ATOM 0 H6 DC A 2 2.068 7.018 21.157 1.00 0.00 H new ATOM 62 P DG A 3 -3.405 4.839 21.105 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.868 4.930 21.306 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.611 3.879 21.903 1.00 0.00 O ATOM 65 O5' DG A 3 -3.122 4.570 19.537 1.00 0.00 O ATOM 66 C5' DG A 3 -3.779 5.353 18.557 1.00 0.00 C ATOM 67 C4' DG A 3 -3.568 4.852 17.138 1.00 0.00 C ATOM 68 O4' DG A 3 -2.203 4.895 16.761 1.00 0.00 O ATOM 69 C3' DG A 3 -4.102 3.423 17.050 1.00 0.00 C ATOM 70 O3' DG A 3 -5.121 3.331 16.069 1.00 0.00 O ATOM 71 C2' DG A 3 -2.826 2.662 16.742 1.00 0.00 C ATOM 72 C1' DG A 3 -1.866 3.676 16.135 1.00 0.00 C ATOM 73 N9 DG A 3 -0.450 3.376 16.438 1.00 0.00 N ATOM 74 C8 DG A 3 0.141 3.236 17.667 1.00 0.00 C ATOM 75 N7 DG A 3 1.442 3.265 17.648 1.00 0.00 N ATOM 76 C5 DG A 3 1.743 3.404 16.299 1.00 0.00 C ATOM 77 C6 DG A 3 3.004 3.548 15.654 1.00 0.00 C ATOM 78 O6 DG A 3 4.104 3.703 16.178 1.00 0.00 O ATOM 79 N1 DG A 3 2.894 3.500 14.267 1.00 0.00 N ATOM 80 C2 DG A 3 1.696 3.426 13.578 1.00 0.00 C ATOM 81 N2 DG A 3 1.751 3.401 12.243 1.00 0.00 N ATOM 82 N3 DG A 3 0.502 3.411 14.188 1.00 0.00 N ATOM 83 C4 DG A 3 0.594 3.390 15.545 1.00 0.00 C ATOM 0 H5' DG A 3 -3.424 6.381 18.627 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.847 5.369 18.773 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.105 5.502 16.448 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.601 3.033 17.937 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.407 2.222 17.647 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.018 1.843 16.048 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.957 3.681 15.049 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.427 3.112 18.577 1.00 0.00 H new ATOM 0 H1 DG A 3 3.755 3.521 13.721 1.00 0.00 H new ATOM 0 H21 DG A 3 0.890 3.347 11.698 1.00 0.00 H new ATOM 0 H22 DG A 3 2.654 3.436 11.769 1.00 0.00 H new ATOM 95 P DT A 4 -5.851 1.932 15.705 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.091 2.236 14.957 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.906 1.086 16.918 1.00 0.00 O ATOM 98 O5' DT A 4 -4.784 1.293 14.681 1.00 0.00 O ATOM 99 C5' DT A 4 -4.413 2.008 13.525 1.00 0.00 C ATOM 100 C4' DT A 4 -3.214 1.421 12.788 1.00 0.00 C ATOM 101 O4' DT A 4 -2.051 1.565 13.575 1.00 0.00 O ATOM 102 C3' DT A 4 -3.369 -0.062 12.422 1.00 0.00 C ATOM 103 O3' DT A 4 -3.401 -0.191 11.012 1.00 0.00 O ATOM 104 C2' DT A 4 -2.138 -0.678 13.087 1.00 0.00 C ATOM 105 C1' DT A 4 -1.193 0.510 13.223 1.00 0.00 C ATOM 106 N1 DT A 4 -0.189 0.264 14.281 1.00 0.00 N ATOM 107 C2 DT A 4 1.169 0.219 13.964 1.00 0.00 C ATOM 108 O2 DT A 4 1.598 0.240 12.813 1.00 0.00 O ATOM 109 N3 DT A 4 2.040 0.150 15.042 1.00 0.00 N ATOM 110 C4 DT A 4 1.676 0.072 16.381 1.00 0.00 C ATOM 111 O4 DT A 4 2.539 0.039 17.253 1.00 0.00 O ATOM 112 C5 DT A 4 0.242 0.036 16.608 1.00 0.00 C ATOM 113 C7 DT A 4 -0.315 -0.104 18.005 1.00 0.00 C ATOM 114 C6 DT A 4 -0.621 0.137 15.572 1.00 0.00 C ATOM 0 H5' DT A 4 -4.186 3.037 13.804 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.263 2.043 12.844 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.140 1.978 11.854 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.284 -0.551 12.756 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.379 -1.115 14.056 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.704 -1.471 12.478 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.622 0.711 12.317 1.00 0.00 H new ATOM 0 H3 DT A 4 3.038 0.157 14.833 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.281 0.397 18.063 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.439 -1.160 18.243 1.00 0.00 H new ATOM 0 H73 DT A 4 0.373 0.350 18.718 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.682 0.117 15.770 1.00 0.00 H new ATOM 127 P DA A 5 -3.516 -1.622 10.277 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.161 -1.416 8.961 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.079 -2.605 11.229 1.00 0.00 O ATOM 130 O5' DA A 5 -1.967 -1.982 10.032 1.00 0.00 O ATOM 131 C5' DA A 5 -1.168 -1.207 9.160 1.00 0.00 C ATOM 132 C4' DA A 5 0.238 -1.800 9.068 1.00 0.00 C ATOM 133 O4' DA A 5 0.910 -1.693 10.312 1.00 0.00 O ATOM 134 C3' DA A 5 0.219 -3.283 8.662 1.00 0.00 C ATOM 135 O3' DA A 5 0.976 -3.418 7.473 1.00 0.00 O ATOM 136 C2' DA A 5 0.810 -3.960 9.903 1.00 0.00 C ATOM 137 C1' DA A 5 1.695 -2.854 10.488 1.00 0.00 C ATOM 138 N9 DA A 5 1.972 -3.046 11.928 1.00 0.00 N ATOM 139 C8 DA A 5 1.040 -3.250 12.902 1.00 0.00 C ATOM 140 N7 DA A 5 1.480 -3.132 14.121 1.00 0.00 N ATOM 141 C5 DA A 5 2.834 -2.876 13.941 1.00 0.00 C ATOM 142 C6 DA A 5 3.887 -2.645 14.849 1.00 0.00 C ATOM 143 N6 DA A 5 3.687 -2.538 16.166 1.00 0.00 N ATOM 144 N1 DA A 5 5.134 -2.500 14.364 1.00 0.00 N ATOM 145 C2 DA A 5 5.320 -2.553 13.046 1.00 0.00 C ATOM 146 N3 DA A 5 4.408 -2.708 12.086 1.00 0.00 N ATOM 147 C4 DA A 5 3.160 -2.870 12.606 1.00 0.00 C ATOM 0 H5' DA A 5 -1.115 -0.180 9.520 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.623 -1.175 8.170 1.00 0.00 H new ATOM 0 H4' DA A 5 0.760 -1.229 8.300 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.747 -3.726 8.419 1.00 0.00 H new ATOM 0 H2' DA A 5 0.035 -4.274 10.603 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.386 -4.849 9.646 1.00 0.00 H new ATOM 0 H1' DA A 5 2.672 -2.823 10.005 1.00 0.00 H new ATOM 0 H8 DA A 5 0.012 -3.492 12.678 1.00 0.00 H new ATOM 0 H61 DA A 5 4.476 -2.371 16.790 1.00 0.00 H new ATOM 0 H62 DA A 5 2.745 -2.624 16.547 1.00 0.00 H new ATOM 0 H2 DA A 5 6.343 -2.458 12.712 1.00 0.00 H new ATOM 159 P DC A 6 1.256 -4.840 6.767 1.00 0.00 P ATOM 160 OP1 DC A 6 1.599 -4.597 5.348 1.00 0.00 O ATOM 161 OP2 DC A 6 0.163 -5.774 7.117 1.00 0.00 O ATOM 162 O5' DC A 6 2.588 -5.296 7.540 1.00 0.00 O ATOM 163 C5' DC A 6 3.757 -4.500 7.502 1.00 0.00 C ATOM 164 C4' DC A 6 4.800 -5.066 8.461 1.00 0.00 C ATOM 165 O4' DC A 6 4.317 -4.912 9.776 1.00 0.00 O ATOM 166 C3' DC A 6 5.156 -6.544 8.284 1.00 0.00 C ATOM 167 O3' DC A 6 6.361 -6.715 7.555 1.00 0.00 O ATOM 168 C2' DC A 6 5.225 -7.053 9.722 1.00 0.00 C ATOM 169 C1' DC A 6 5.040 -5.811 10.575 1.00 0.00 C ATOM 170 N1 DC A 6 4.321 -6.089 11.844 1.00 0.00 N ATOM 171 C2 DC A 6 4.994 -5.915 13.050 1.00 0.00 C ATOM 172 O2 DC A 6 6.209 -5.745 13.090 1.00 0.00 O ATOM 173 N3 DC A 6 4.272 -5.934 14.203 1.00 0.00 N ATOM 174 C4 DC A 6 2.949 -6.151 14.197 1.00 0.00 C ATOM 175 N4 DC A 6 2.294 -6.094 15.361 1.00 0.00 N ATOM 176 C5 DC A 6 2.242 -6.391 12.969 1.00 0.00 C ATOM 177 C6 DC A 6 2.974 -6.356 11.830 1.00 0.00 C ATOM 0 H5' DC A 6 3.517 -3.473 7.776 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.158 -4.474 6.489 1.00 0.00 H new ATOM 0 H4' DC A 6 5.711 -4.509 8.244 1.00 0.00 H new ATOM 0 H3' DC A 6 4.433 -7.103 7.690 1.00 0.00 H new ATOM 0 H2' DC A 6 4.446 -7.790 9.920 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.180 -7.536 9.926 1.00 0.00 H new ATOM 0 H1' DC A 6 6.006 -5.409 10.880 1.00 0.00 H new ATOM 0 H41 DC A 6 1.287 -6.255 15.388 1.00 0.00 H new ATOM 0 H42 DC A 6 2.801 -5.890 16.222 1.00 0.00 H new ATOM 0 H5 DC A 6 1.180 -6.589 12.955 1.00 0.00 H new ATOM 0 H6 DC A 6 2.485 -6.543 10.885 1.00 0.00 H new ATOM 189 P DG A 7 6.994 -8.178 7.264 1.00 0.00 P ATOM 190 OP1 DG A 7 7.947 -8.051 6.140 1.00 0.00 O ATOM 191 OP2 DG A 7 5.892 -9.163 7.187 1.00 0.00 O ATOM 192 O5' DG A 7 7.838 -8.471 8.610 1.00 0.00 O ATOM 193 C5' DG A 7 8.930 -7.648 8.968 1.00 0.00 C ATOM 194 C4' DG A 7 9.565 -8.039 10.304 1.00 0.00 C ATOM 195 O4' DG A 7 8.675 -7.779 11.379 1.00 0.00 O ATOM 196 C3' DG A 7 9.948 -9.526 10.335 1.00 0.00 C ATOM 197 O3' DG A 7 11.282 -9.675 10.791 1.00 0.00 O ATOM 198 C2' DG A 7 8.899 -10.069 11.294 1.00 0.00 C ATOM 199 C1' DG A 7 8.702 -8.896 12.242 1.00 0.00 C ATOM 200 N9 DG A 7 7.433 -9.005 12.995 1.00 0.00 N ATOM 201 C8 DG A 7 6.198 -9.347 12.513 1.00 0.00 C ATOM 202 N7 DG A 7 5.230 -9.224 13.376 1.00 0.00 N ATOM 203 C5 DG A 7 5.876 -8.814 14.537 1.00 0.00 C ATOM 204 C6 DG A 7 5.346 -8.552 15.835 1.00 0.00 C ATOM 205 O6 DG A 7 4.168 -8.535 16.179 1.00 0.00 O ATOM 206 N1 DG A 7 6.341 -8.296 16.775 1.00 0.00 N ATOM 207 C2 DG A 7 7.694 -8.266 16.490 1.00 0.00 C ATOM 208 N2 DG A 7 8.529 -8.041 17.509 1.00 0.00 N ATOM 209 N3 DG A 7 8.189 -8.455 15.257 1.00 0.00 N ATOM 210 C4 DG A 7 7.233 -8.730 14.328 1.00 0.00 C ATOM 0 H5' DG A 7 8.594 -6.612 9.022 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.687 -7.698 8.185 1.00 0.00 H new ATOM 0 H4' DG A 7 10.467 -7.437 10.413 1.00 0.00 H new ATOM 0 H3' DG A 7 9.946 -10.046 9.377 1.00 0.00 H new ATOM 0 H2' DG A 7 7.976 -10.338 10.780 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.245 -10.961 11.815 1.00 0.00 H new ATOM 0 H1' DG A 7 9.483 -8.840 13.000 1.00 0.00 H new ATOM 0 H8 DG A 7 6.040 -9.690 11.501 1.00 0.00 H new ATOM 0 H1 DG A 7 6.053 -8.119 17.737 1.00 0.00 H new ATOM 0 H21 DG A 7 9.535 -8.010 17.346 1.00 0.00 H new ATOM 0 H22 DG A 7 8.160 -7.900 18.449 1.00 0.00 H new ATOM 222 P DC A 8 11.973 -11.124 10.971 1.00 0.00 P ATOM 223 OP1 DC A 8 13.440 -10.955 10.875 1.00 0.00 O ATOM 224 OP2 DC A 8 11.282 -12.095 10.093 1.00 0.00 O ATOM 225 O5' DC A 8 11.598 -11.466 12.499 1.00 0.00 O ATOM 226 C5' DC A 8 12.231 -10.789 13.565 1.00 0.00 C ATOM 227 C4' DC A 8 11.594 -11.147 14.909 1.00 0.00 C ATOM 228 O4' DC A 8 10.239 -10.765 14.918 1.00 0.00 O ATOM 229 C3' DC A 8 11.584 -12.641 15.233 1.00 0.00 C ATOM 230 O3' DC A 8 12.794 -13.073 15.819 1.00 0.00 O ATOM 231 C2' DC A 8 10.411 -12.752 16.205 1.00 0.00 C ATOM 232 C1' DC A 8 9.624 -11.453 15.987 1.00 0.00 C ATOM 233 N1 DC A 8 8.194 -11.722 15.678 1.00 0.00 N ATOM 234 C2 DC A 8 7.237 -11.546 16.678 1.00 0.00 C ATOM 235 O2 DC A 8 7.555 -11.250 17.828 1.00 0.00 O ATOM 236 N3 DC A 8 5.924 -11.709 16.355 1.00 0.00 N ATOM 237 C4 DC A 8 5.547 -12.046 15.112 1.00 0.00 C ATOM 238 N4 DC A 8 4.241 -12.138 14.846 1.00 0.00 N ATOM 239 C5 DC A 8 6.518 -12.272 14.077 1.00 0.00 C ATOM 240 C6 DC A 8 7.818 -12.096 14.410 1.00 0.00 C ATOM 0 H5' DC A 8 12.166 -9.713 13.405 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.290 -11.045 13.583 1.00 0.00 H new ATOM 0 H4' DC A 8 12.207 -10.623 15.642 1.00 0.00 H new ATOM 0 H3' DC A 8 11.484 -13.271 14.349 1.00 0.00 H new ATOM 0 H2' DC A 8 9.800 -13.629 15.994 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.754 -12.843 17.236 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.741 -14.033 16.010 1.00 0.00 H new ATOM 0 H1' DC A 8 9.638 -10.855 16.898 1.00 0.00 H new ATOM 0 H41 DC A 8 3.928 -12.392 13.909 1.00 0.00 H new ATOM 0 H42 DC A 8 3.557 -11.954 15.580 1.00 0.00 H new ATOM 0 H5 DC A 8 6.224 -12.568 13.081 1.00 0.00 H new ATOM 0 H6 DC A 8 8.579 -12.253 13.660 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.107 -12.994 24.813 1.00 0.00 O ATOM 255 C5' DG B 1 -0.943 -11.595 24.907 1.00 0.00 C ATOM 256 C4' DG B 1 0.550 -11.248 24.948 1.00 0.00 C ATOM 257 O4' DG B 1 1.163 -11.654 23.729 1.00 0.00 O ATOM 258 C3' DG B 1 0.783 -9.742 25.116 1.00 0.00 C ATOM 259 O3' DG B 1 1.970 -9.510 25.855 1.00 0.00 O ATOM 260 C2' DG B 1 0.916 -9.354 23.652 1.00 0.00 C ATOM 261 C1' DG B 1 1.741 -10.518 23.121 1.00 0.00 C ATOM 262 N9 DG B 1 1.704 -10.604 21.638 1.00 0.00 N ATOM 263 C8 DG B 1 0.617 -10.688 20.795 1.00 0.00 C ATOM 264 N7 DG B 1 0.926 -10.778 19.533 1.00 0.00 N ATOM 265 C5 DG B 1 2.315 -10.764 19.524 1.00 0.00 C ATOM 266 C6 DG B 1 3.223 -10.869 18.428 1.00 0.00 C ATOM 267 O6 DG B 1 2.954 -10.988 17.235 1.00 0.00 O ATOM 268 N1 DG B 1 4.555 -10.826 18.835 1.00 0.00 N ATOM 269 C2 DG B 1 4.965 -10.711 20.152 1.00 0.00 C ATOM 270 N2 DG B 1 6.281 -10.673 20.384 1.00 0.00 N ATOM 271 N3 DG B 1 4.110 -10.631 21.184 1.00 0.00 N ATOM 272 C4 DG B 1 2.802 -10.664 20.807 1.00 0.00 C ATOM 0 H5' DG B 1 -1.437 -11.221 25.804 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.416 -11.106 24.055 1.00 0.00 H new ATOM 0 H4' DG B 1 0.982 -11.768 25.803 1.00 0.00 H new ATOM 0 H3' DG B 1 0.020 -9.186 25.660 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.052 -9.273 23.156 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.421 -8.397 23.523 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.062 -13.210 24.789 1.00 0.00 H new ATOM 0 H1' DG B 1 2.800 -10.412 23.358 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.403 -10.680 21.150 1.00 0.00 H new ATOM 0 H1 DG B 1 5.275 -10.883 18.115 1.00 0.00 H new ATOM 0 H21 DG B 1 6.628 -10.589 21.339 1.00 0.00 H new ATOM 0 H22 DG B 1 6.938 -10.728 19.606 1.00 0.00 H new ATOM 285 P DC B 2 2.513 -8.022 26.181 1.00 0.00 P ATOM 286 OP1 DC B 2 2.902 -7.979 27.608 1.00 0.00 O ATOM 287 OP2 DC B 2 1.545 -7.033 25.657 1.00 0.00 O ATOM 288 O5' DC B 2 3.855 -7.936 25.283 1.00 0.00 O ATOM 289 C5' DC B 2 4.997 -8.699 25.618 1.00 0.00 C ATOM 290 C4' DC B 2 6.270 -8.318 24.867 1.00 0.00 C ATOM 291 O4' DC B 2 6.186 -8.647 23.492 1.00 0.00 O ATOM 292 C3' DC B 2 6.522 -6.816 25.011 1.00 0.00 C ATOM 293 O3' DC B 2 7.909 -6.591 25.207 1.00 0.00 O ATOM 294 C2' DC B 2 5.974 -6.329 23.691 1.00 0.00 C ATOM 295 C1' DC B 2 6.343 -7.462 22.739 1.00 0.00 C ATOM 296 N1 DC B 2 5.423 -7.488 21.581 1.00 0.00 N ATOM 297 C2 DC B 2 5.913 -7.501 20.274 1.00 0.00 C ATOM 298 O2 DC B 2 7.118 -7.557 20.039 1.00 0.00 O ATOM 299 N3 DC B 2 5.013 -7.453 19.247 1.00 0.00 N ATOM 300 C4 DC B 2 3.693 -7.367 19.482 1.00 0.00 C ATOM 301 N4 DC B 2 2.849 -7.364 18.447 1.00 0.00 N ATOM 302 C5 DC B 2 3.184 -7.375 20.823 1.00 0.00 C ATOM 303 C6 DC B 2 4.077 -7.468 21.817 1.00 0.00 C ATOM 0 H5' DC B 2 4.782 -9.750 25.428 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.181 -8.600 26.688 1.00 0.00 H new ATOM 0 H4' DC B 2 7.094 -8.883 25.302 1.00 0.00 H new ATOM 0 H3' DC B 2 6.063 -6.305 25.858 1.00 0.00 H new ATOM 0 H2' DC B 2 4.897 -6.170 23.733 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.424 -5.383 23.389 1.00 0.00 H new ATOM 0 H1' DC B 2 7.355 -7.344 22.351 1.00 0.00 H new ATOM 0 H41 DC B 2 1.844 -7.299 18.609 1.00 0.00 H new ATOM 0 H42 DC B 2 3.209 -7.426 17.495 1.00 0.00 H new ATOM 0 H5 DC B 2 2.125 -7.309 21.023 1.00 0.00 H new ATOM 0 H6 DC B 2 3.723 -7.529 22.835 1.00 0.00 H new ATOM 315 P DG B 3 8.589 -5.128 25.129 1.00 0.00 P ATOM 316 OP1 DG B 3 9.761 -5.116 26.032 1.00 0.00 O ATOM 317 OP2 DG B 3 7.538 -4.096 25.273 1.00 0.00 O ATOM 318 O5' DG B 3 9.121 -5.117 23.604 1.00 0.00 O ATOM 319 C5' DG B 3 10.146 -6.010 23.207 1.00 0.00 C ATOM 320 C4' DG B 3 10.675 -5.746 21.808 1.00 0.00 C ATOM 321 O4' DG B 3 9.670 -5.910 20.825 1.00 0.00 O ATOM 322 C3' DG B 3 11.235 -4.324 21.768 1.00 0.00 C ATOM 323 O3' DG B 3 12.606 -4.338 21.411 1.00 0.00 O ATOM 324 C2' DG B 3 10.302 -3.681 20.758 1.00 0.00 C ATOM 325 C1' DG B 3 9.726 -4.820 19.930 1.00 0.00 C ATOM 326 N9 DG B 3 8.354 -4.543 19.451 1.00 0.00 N ATOM 327 C8 DG B 3 7.244 -4.241 20.196 1.00 0.00 C ATOM 328 N7 DG B 3 6.118 -4.333 19.549 1.00 0.00 N ATOM 329 C5 DG B 3 6.510 -4.694 18.267 1.00 0.00 C ATOM 330 C6 DG B 3 5.720 -4.995 17.120 1.00 0.00 C ATOM 331 O6 DG B 3 4.500 -5.117 17.058 1.00 0.00 O ATOM 332 N1 DG B 3 6.496 -5.160 15.975 1.00 0.00 N ATOM 333 C2 DG B 3 7.879 -5.139 15.957 1.00 0.00 C ATOM 334 N2 DG B 3 8.485 -5.324 14.780 1.00 0.00 N ATOM 335 N3 DG B 3 8.623 -4.972 17.060 1.00 0.00 N ATOM 336 C4 DG B 3 7.881 -4.745 18.177 1.00 0.00 C ATOM 0 H5' DG B 3 9.766 -7.031 23.256 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.970 -5.942 23.917 1.00 0.00 H new ATOM 0 H4' DG B 3 11.458 -6.470 21.581 1.00 0.00 H new ATOM 0 H3' DG B 3 11.249 -3.778 22.711 1.00 0.00 H new ATOM 0 H2' DG B 3 9.510 -3.124 21.259 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.839 -2.973 20.127 1.00 0.00 H new ATOM 0 H1' DG B 3 10.337 -4.990 19.043 1.00 0.00 H new ATOM 0 H8 DG B 3 7.299 -3.950 21.235 1.00 0.00 H new ATOM 0 H1 DG B 3 6.011 -5.306 15.089 1.00 0.00 H new ATOM 0 H21 DG B 3 9.503 -5.316 14.724 1.00 0.00 H new ATOM 0 H22 DG B 3 7.929 -5.474 13.938 1.00 0.00 H new ATOM 348 P DT B 4 13.471 -2.981 21.233 1.00 0.00 P ATOM 349 OP1 DT B 4 14.907 -3.339 21.248 1.00 0.00 O ATOM 350 OP2 DT B 4 12.954 -1.953 22.164 1.00 0.00 O ATOM 351 O5' DT B 4 13.068 -2.562 19.731 1.00 0.00 O ATOM 352 C5' DT B 4 13.285 -3.468 18.672 1.00 0.00 C ATOM 353 C4' DT B 4 12.624 -3.061 17.360 1.00 0.00 C ATOM 354 O4' DT B 4 11.220 -3.134 17.487 1.00 0.00 O ATOM 355 C3' DT B 4 12.993 -1.648 16.885 1.00 0.00 C ATOM 356 O3' DT B 4 13.716 -1.741 15.672 1.00 0.00 O ATOM 357 C2' DT B 4 11.618 -0.993 16.757 1.00 0.00 C ATOM 358 C1' DT B 4 10.684 -2.188 16.597 1.00 0.00 C ATOM 359 N1 DT B 4 9.300 -1.825 16.974 1.00 0.00 N ATOM 360 C2 DT B 4 8.275 -1.894 16.031 1.00 0.00 C ATOM 361 O2 DT B 4 8.464 -2.115 14.838 1.00 0.00 O ATOM 362 N3 DT B 4 6.990 -1.696 16.518 1.00 0.00 N ATOM 363 C4 DT B 4 6.654 -1.391 17.832 1.00 0.00 C ATOM 364 O4 DT B 4 5.476 -1.259 18.151 1.00 0.00 O ATOM 365 C5 DT B 4 7.793 -1.256 18.723 1.00 0.00 C ATOM 366 C7 DT B 4 7.597 -0.874 20.171 1.00 0.00 C ATOM 367 C6 DT B 4 9.048 -1.478 18.273 1.00 0.00 C ATOM 0 H5' DT B 4 12.912 -4.449 18.965 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.358 -3.570 18.510 1.00 0.00 H new ATOM 0 H4' DT B 4 12.998 -3.761 16.613 1.00 0.00 H new ATOM 0 H3' DT B 4 13.645 -1.070 17.540 1.00 0.00 H new ATOM 0 H2' DT B 4 11.369 -0.401 17.638 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.568 -0.323 15.898 1.00 0.00 H new ATOM 0 H1' DT B 4 10.624 -2.555 15.572 1.00 0.00 H new ATOM 0 H3 DT B 4 6.223 -1.782 15.851 1.00 0.00 H new ATOM 0 H71 DT B 4 8.390 -1.316 20.774 1.00 0.00 H new ATOM 0 H72 DT B 4 7.629 0.211 20.268 1.00 0.00 H new ATOM 0 H73 DT B 4 6.631 -1.241 20.517 1.00 0.00 H new ATOM 0 H6 DT B 4 9.876 -1.379 18.959 1.00 0.00 H new ATOM 380 P DA B 5 14.222 -0.440 14.864 1.00 0.00 P ATOM 381 OP1 DA B 5 15.429 -0.813 14.093 1.00 0.00 O ATOM 382 OP2 DA B 5 14.265 0.713 15.791 1.00 0.00 O ATOM 383 O5' DA B 5 13.009 -0.215 13.830 1.00 0.00 O ATOM 384 C5' DA B 5 12.724 -1.167 12.823 1.00 0.00 C ATOM 385 C4' DA B 5 11.573 -0.675 11.945 1.00 0.00 C ATOM 386 O4' DA B 5 10.369 -0.609 12.691 1.00 0.00 O ATOM 387 C3' DA B 5 11.848 0.717 11.355 1.00 0.00 C ATOM 388 O3' DA B 5 11.768 0.617 9.944 1.00 0.00 O ATOM 389 C2' DA B 5 10.757 1.564 12.018 1.00 0.00 C ATOM 390 C1' DA B 5 9.652 0.532 12.267 1.00 0.00 C ATOM 391 N9 DA B 5 8.713 0.945 13.332 1.00 0.00 N ATOM 392 C8 DA B 5 9.055 1.349 14.589 1.00 0.00 C ATOM 393 N7 DA B 5 8.070 1.406 15.438 1.00 0.00 N ATOM 394 C5 DA B 5 6.969 1.061 14.664 1.00 0.00 C ATOM 395 C6 DA B 5 5.598 0.932 14.964 1.00 0.00 C ATOM 396 N6 DA B 5 5.124 1.045 16.208 1.00 0.00 N ATOM 397 N1 DA B 5 4.744 0.658 13.960 1.00 0.00 N ATOM 398 C2 DA B 5 5.229 0.492 12.731 1.00 0.00 C ATOM 399 N3 DA B 5 6.500 0.530 12.330 1.00 0.00 N ATOM 400 C4 DA B 5 7.339 0.827 13.361 1.00 0.00 C ATOM 0 H5' DA B 5 12.462 -2.122 13.278 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.610 -1.338 12.212 1.00 0.00 H new ATOM 0 H4' DA B 5 11.479 -1.393 11.130 1.00 0.00 H new ATOM 0 H3' DA B 5 12.829 1.155 11.540 1.00 0.00 H new ATOM 0 H2' DA B 5 11.103 2.021 12.945 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.420 2.373 11.370 1.00 0.00 H new ATOM 0 H1' DA B 5 9.038 0.382 11.379 1.00 0.00 H new ATOM 0 H8 DA B 5 10.069 1.603 14.860 1.00 0.00 H new ATOM 0 H61 DA B 5 4.124 0.945 16.384 1.00 0.00 H new ATOM 0 H62 DA B 5 5.762 1.231 16.982 1.00 0.00 H new ATOM 0 H2 DA B 5 4.498 0.302 11.959 1.00 0.00 H new ATOM 412 P DC B 6 11.935 1.885 8.964 1.00 0.00 P ATOM 413 OP1 DC B 6 12.309 1.390 7.620 1.00 0.00 O ATOM 414 OP2 DC B 6 12.768 2.907 9.636 1.00 0.00 O ATOM 415 O5' DC B 6 10.420 2.416 8.905 1.00 0.00 O ATOM 416 C5' DC B 6 9.379 1.584 8.434 1.00 0.00 C ATOM 417 C4' DC B 6 8.031 2.262 8.662 1.00 0.00 C ATOM 418 O4' DC B 6 7.806 2.339 10.051 1.00 0.00 O ATOM 419 C3' DC B 6 7.877 3.679 8.104 1.00 0.00 C ATOM 420 O3' DC B 6 7.188 3.690 6.865 1.00 0.00 O ATOM 421 C2' DC B 6 7.144 4.409 9.226 1.00 0.00 C ATOM 422 C1' DC B 6 6.829 3.326 10.243 1.00 0.00 C ATOM 423 N1 DC B 6 6.849 3.830 11.639 1.00 0.00 N ATOM 424 C2 DC B 6 5.667 3.824 12.374 1.00 0.00 C ATOM 425 O2 DC B 6 4.580 3.612 11.842 1.00 0.00 O ATOM 426 N3 DC B 6 5.734 4.059 13.712 1.00 0.00 N ATOM 427 C4 DC B 6 6.899 4.328 14.317 1.00 0.00 C ATOM 428 N4 DC B 6 6.899 4.487 15.644 1.00 0.00 N ATOM 429 C5 DC B 6 8.124 4.398 13.570 1.00 0.00 C ATOM 430 C6 DC B 6 8.042 4.149 12.242 1.00 0.00 C ATOM 0 H5' DC B 6 9.406 0.625 8.951 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.518 1.378 7.373 1.00 0.00 H new ATOM 0 H4' DC B 6 7.314 1.645 8.119 1.00 0.00 H new ATOM 0 H3' DC B 6 8.824 4.160 7.857 1.00 0.00 H new ATOM 0 H2' DC B 6 7.764 5.193 9.661 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.235 4.887 8.861 1.00 0.00 H new ATOM 0 H1' DC B 6 5.819 2.942 10.096 1.00 0.00 H new ATOM 0 H41 DC B 6 7.770 4.693 16.133 1.00 0.00 H new ATOM 0 H42 DC B 6 6.028 4.403 16.168 1.00 0.00 H new ATOM 0 H5 DC B 6 9.064 4.638 14.045 1.00 0.00 H new ATOM 0 H6 DC B 6 8.937 4.202 11.641 1.00 0.00 H new ATOM 442 P DG B 7 6.852 5.066 6.077 1.00 0.00 P ATOM 443 OP1 DG B 7 6.555 4.727 4.667 1.00 0.00 O ATOM 444 OP2 DG B 7 7.904 6.059 6.389 1.00 0.00 O ATOM 445 O5' DG B 7 5.479 5.548 6.779 1.00 0.00 O ATOM 446 C5' DG B 7 4.307 4.762 6.683 1.00 0.00 C ATOM 447 C4' DG B 7 3.127 5.343 7.463 1.00 0.00 C ATOM 448 O4' DG B 7 3.369 5.284 8.860 1.00 0.00 O ATOM 449 C3' DG B 7 2.855 6.804 7.076 1.00 0.00 C ATOM 450 O3' DG B 7 1.478 6.983 6.792 1.00 0.00 O ATOM 451 C2' DG B 7 3.329 7.523 8.329 1.00 0.00 C ATOM 452 C1' DG B 7 2.978 6.521 9.418 1.00 0.00 C ATOM 453 N9 DG B 7 3.722 6.786 10.669 1.00 0.00 N ATOM 454 C8 DG B 7 5.052 7.083 10.807 1.00 0.00 C ATOM 455 N7 DG B 7 5.467 7.131 12.041 1.00 0.00 N ATOM 456 C5 DG B 7 4.316 6.892 12.784 1.00 0.00 C ATOM 457 C6 DG B 7 4.129 6.859 14.198 1.00 0.00 C ATOM 458 O6 DG B 7 4.986 6.936 15.073 1.00 0.00 O ATOM 459 N1 DG B 7 2.790 6.723 14.555 1.00 0.00 N ATOM 460 C2 DG B 7 1.750 6.604 13.653 1.00 0.00 C ATOM 461 N2 DG B 7 0.513 6.517 14.153 1.00 0.00 N ATOM 462 N3 DG B 7 1.931 6.578 12.323 1.00 0.00 N ATOM 463 C4 DG B 7 3.231 6.732 11.953 1.00 0.00 C ATOM 0 H5' DG B 7 4.519 3.758 7.052 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.028 4.664 5.634 1.00 0.00 H new ATOM 0 H4' DG B 7 2.255 4.739 7.210 1.00 0.00 H new ATOM 0 H3' DG B 7 3.351 7.166 6.176 1.00 0.00 H new ATOM 0 H2' DG B 7 4.398 7.735 8.298 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.819 8.476 8.471 1.00 0.00 H new ATOM 0 H1' DG B 7 1.924 6.561 9.695 1.00 0.00 H new ATOM 0 H8 DG B 7 5.702 7.262 9.964 1.00 0.00 H new ATOM 0 H1 DG B 7 2.562 6.710 15.549 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.286 6.428 13.525 1.00 0.00 H new ATOM 0 H22 DG B 7 0.368 6.540 15.162 1.00 0.00 H new ATOM 475 P DC B 8 0.863 8.421 6.388 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.379 8.196 5.615 1.00 0.00 O ATOM 477 OP2 DC B 8 1.942 9.261 5.822 1.00 0.00 O ATOM 478 O5' DC B 8 0.463 9.014 7.831 1.00 0.00 O ATOM 479 C5' DC B 8 -0.643 8.497 8.541 1.00 0.00 C ATOM 480 C4' DC B 8 -0.724 9.083 9.951 1.00 0.00 C ATOM 481 O4' DC B 8 0.432 8.747 10.681 1.00 0.00 O ATOM 482 C3' DC B 8 -0.794 10.610 10.006 1.00 0.00 C ATOM 483 O3' DC B 8 -2.109 11.096 9.847 1.00 0.00 O ATOM 484 C2' DC B 8 -0.238 10.908 11.398 1.00 0.00 C ATOM 485 C1' DC B 8 0.484 9.614 11.795 1.00 0.00 C ATOM 486 N1 DC B 8 1.894 9.871 12.189 1.00 0.00 N ATOM 487 C2 DC B 8 2.231 9.886 13.544 1.00 0.00 C ATOM 488 O2 DC B 8 1.377 9.768 14.420 1.00 0.00 O ATOM 489 N3 DC B 8 3.541 10.034 13.885 1.00 0.00 N ATOM 490 C4 DC B 8 4.493 10.179 12.951 1.00 0.00 C ATOM 491 N4 DC B 8 5.766 10.265 13.349 1.00 0.00 N ATOM 492 C5 DC B 8 4.165 10.207 11.552 1.00 0.00 C ATOM 493 C6 DC B 8 2.861 10.048 11.228 1.00 0.00 C ATOM 0 H5' DC B 8 -0.564 7.411 8.600 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.562 8.720 7.999 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.644 8.665 10.359 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.242 11.095 9.201 1.00 0.00 H new ATOM 0 H2' DC B 8 0.445 11.757 11.381 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.034 11.153 12.102 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.103 12.075 9.891 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.005 9.168 12.661 1.00 0.00 H new ATOM 0 H41 DC B 8 6.510 10.376 12.660 1.00 0.00 H new ATOM 0 H42 DC B 8 5.994 10.220 14.342 1.00 0.00 H new ATOM 0 H5 DC B 8 4.923 10.348 10.796 1.00 0.00 H new ATOM 0 H6 DC B 8 2.572 10.060 10.187 1.00 0.00 H new TER 506 DC B 8