USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 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 29:sc= 0.00706 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -28:sc= 0.0901 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot 171:sc= -0.0158 USER MOD Single : B 3 C O2' : rot -17:sc= 0.00426 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.321) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -10.947 -8.966 -3.437 1.00 0.00 O ATOM 2 C5' DG A 1 -11.540 -9.936 -2.600 1.00 0.00 C ATOM 3 C4' DG A 1 -10.896 -9.917 -1.211 1.00 0.00 C ATOM 4 O4' DG A 1 -9.515 -10.205 -1.329 1.00 0.00 O ATOM 5 C3' DG A 1 -11.036 -8.559 -0.508 1.00 0.00 C ATOM 6 O3' DG A 1 -11.563 -8.771 0.795 1.00 0.00 O ATOM 7 C2' DG A 1 -9.598 -8.052 -0.493 1.00 0.00 C ATOM 8 C1' DG A 1 -8.840 -9.376 -0.413 1.00 0.00 C ATOM 9 N9 DG A 1 -7.400 -9.302 -0.756 1.00 0.00 N ATOM 10 C8 DG A 1 -6.807 -9.136 -1.986 1.00 0.00 C ATOM 11 N7 DG A 1 -5.507 -9.232 -1.971 1.00 0.00 N ATOM 12 C5 DG A 1 -5.207 -9.510 -0.643 1.00 0.00 C ATOM 13 C6 DG A 1 -3.947 -9.761 -0.017 1.00 0.00 C ATOM 14 O6 DG A 1 -2.832 -9.743 -0.531 1.00 0.00 O ATOM 15 N1 DG A 1 -4.074 -10.061 1.337 1.00 0.00 N ATOM 16 C2 DG A 1 -5.279 -10.113 2.014 1.00 0.00 C ATOM 17 N2 DG A 1 -5.238 -10.380 3.322 1.00 0.00 N ATOM 18 N3 DG A 1 -6.461 -9.874 1.427 1.00 0.00 N ATOM 19 C4 DG A 1 -6.360 -9.578 0.103 1.00 0.00 C ATOM 0 H5' DG A 1 -11.428 -10.925 -3.045 1.00 0.00 H new ATOM 0 H5'' DG A 1 -12.610 -9.744 -2.513 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.416 -10.666 -0.614 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.710 -7.847 -0.984 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.349 -7.484 -1.390 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.395 -7.405 0.360 1.00 0.00 H new ATOM 0 HO5' DG A 1 -10.018 -8.820 -3.162 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.836 -9.737 0.616 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.370 -8.943 -2.887 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.223 -10.255 1.864 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.103 -10.428 3.860 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.341 -10.536 3.783 1.00 0.00 H new ATOM 32 P DC A 2 -11.907 -7.560 1.810 1.00 0.00 P ATOM 33 OP1 DC A 2 -12.984 -8.016 2.716 1.00 0.00 O ATOM 34 OP2 DC A 2 -12.091 -6.324 1.017 1.00 0.00 O ATOM 35 O5' DC A 2 -10.552 -7.403 2.674 1.00 0.00 O ATOM 36 C5' DC A 2 -10.215 -8.316 3.703 1.00 0.00 C ATOM 37 C4' DC A 2 -8.890 -7.906 4.354 1.00 0.00 C ATOM 38 O4' DC A 2 -7.829 -8.045 3.423 1.00 0.00 O ATOM 39 C3' DC A 2 -8.898 -6.450 4.847 1.00 0.00 C ATOM 40 O3' DC A 2 -8.413 -6.450 6.183 1.00 0.00 O ATOM 41 C2' DC A 2 -7.942 -5.809 3.843 1.00 0.00 C ATOM 42 C1' DC A 2 -6.958 -6.961 3.646 1.00 0.00 C ATOM 43 N1 DC A 2 -6.005 -6.776 2.518 1.00 0.00 N ATOM 44 C2 DC A 2 -4.648 -7.044 2.722 1.00 0.00 C ATOM 45 O2 DC A 2 -4.219 -7.424 3.809 1.00 0.00 O ATOM 46 N3 DC A 2 -3.787 -6.887 1.678 1.00 0.00 N ATOM 47 C4 DC A 2 -4.219 -6.496 0.473 1.00 0.00 C ATOM 48 N4 DC A 2 -3.326 -6.392 -0.516 1.00 0.00 N ATOM 49 C5 DC A 2 -5.613 -6.259 0.224 1.00 0.00 C ATOM 50 C6 DC A 2 -6.456 -6.418 1.273 1.00 0.00 C ATOM 0 H5' DC A 2 -10.133 -9.323 3.294 1.00 0.00 H new ATOM 0 H5'' DC A 2 -11.006 -8.340 4.453 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.752 -8.563 5.213 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.856 -5.931 4.884 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.440 -5.523 2.917 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.462 -4.913 4.237 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.286 -7.078 4.496 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.626 -6.096 -1.445 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.345 -6.608 -0.342 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.972 -5.968 -0.752 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.514 -6.258 1.124 1.00 0.00 H new ATOM 62 P DA A 3 -8.267 -5.124 7.093 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.022 -5.339 8.347 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.544 -3.931 6.263 1.00 0.00 O ATOM 65 O5' DA A 3 -6.689 -5.142 7.439 1.00 0.00 O ATOM 66 C5' DA A 3 -6.127 -6.143 8.272 1.00 0.00 C ATOM 67 C4' DA A 3 -4.624 -5.905 8.466 1.00 0.00 C ATOM 68 O4' DA A 3 -3.967 -5.992 7.216 1.00 0.00 O ATOM 69 C3' DA A 3 -4.330 -4.527 9.066 1.00 0.00 C ATOM 70 O3' DA A 3 -3.297 -4.666 10.032 1.00 0.00 O ATOM 71 C2' DA A 3 -3.898 -3.741 7.836 1.00 0.00 C ATOM 72 C1' DA A 3 -3.177 -4.834 7.051 1.00 0.00 C ATOM 73 N9 DA A 3 -3.070 -4.546 5.608 1.00 0.00 N ATOM 74 C8 DA A 3 -4.095 -4.345 4.722 1.00 0.00 C ATOM 75 N7 DA A 3 -3.719 -4.223 3.480 1.00 0.00 N ATOM 76 C5 DA A 3 -2.341 -4.393 3.541 1.00 0.00 C ATOM 77 C6 DA A 3 -1.331 -4.435 2.556 1.00 0.00 C ATOM 78 N6 DA A 3 -1.576 -4.293 1.249 1.00 0.00 N ATOM 79 N1 DA A 3 -0.062 -4.649 2.950 1.00 0.00 N ATOM 80 C2 DA A 3 0.198 -4.814 4.244 1.00 0.00 C ATOM 81 N3 DA A 3 -0.657 -4.809 5.262 1.00 0.00 N ATOM 82 C4 DA A 3 -1.933 -4.593 4.837 1.00 0.00 C ATOM 0 H5' DA A 3 -6.291 -7.126 7.829 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.628 -6.142 9.240 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.263 -6.668 9.156 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.154 -4.042 9.590 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.745 -3.327 7.289 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.242 -2.907 8.085 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.156 -4.931 7.420 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.130 -4.292 5.027 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.808 -4.332 0.579 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.531 -4.146 0.922 1.00 0.00 H new ATOM 0 H2 DA A 3 1.235 -4.972 4.500 1.00 0.00 H new ATOM 94 P DG A 4 -2.689 -3.416 10.857 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.227 -3.917 12.171 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.656 -2.297 10.798 1.00 0.00 O ATOM 97 O5' DG A 4 -1.392 -3.010 9.985 1.00 0.00 O ATOM 98 C5' DG A 4 -0.218 -3.801 10.002 1.00 0.00 C ATOM 99 C4' DG A 4 0.868 -3.197 9.108 1.00 0.00 C ATOM 100 O4' DG A 4 0.460 -3.233 7.755 1.00 0.00 O ATOM 101 C3' DG A 4 1.194 -1.733 9.446 1.00 0.00 C ATOM 102 O3' DG A 4 2.495 -1.658 10.020 1.00 0.00 O ATOM 103 C2' DG A 4 1.110 -1.044 8.088 1.00 0.00 C ATOM 104 C1' DG A 4 1.153 -2.195 7.102 1.00 0.00 C ATOM 105 N9 DG A 4 0.502 -1.846 5.828 1.00 0.00 N ATOM 106 C8 DG A 4 -0.830 -1.655 5.593 1.00 0.00 C ATOM 107 N7 DG A 4 -1.131 -1.476 4.336 1.00 0.00 N ATOM 108 C5 DG A 4 0.100 -1.553 3.688 1.00 0.00 C ATOM 109 C6 DG A 4 0.418 -1.498 2.296 1.00 0.00 C ATOM 110 O6 DG A 4 -0.350 -1.346 1.349 1.00 0.00 O ATOM 111 N1 DG A 4 1.783 -1.645 2.056 1.00 0.00 N ATOM 112 C2 DG A 4 2.736 -1.820 3.044 1.00 0.00 C ATOM 113 N2 DG A 4 4.015 -1.908 2.669 1.00 0.00 N ATOM 114 N3 DG A 4 2.436 -1.889 4.348 1.00 0.00 N ATOM 115 C4 DG A 4 1.108 -1.755 4.601 1.00 0.00 C ATOM 0 H5' DG A 4 -0.451 -4.811 9.664 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.153 -3.885 11.024 1.00 0.00 H new ATOM 0 H4' DG A 4 1.759 -3.800 9.282 1.00 0.00 H new ATOM 0 H3' DG A 4 0.528 -1.272 10.175 1.00 0.00 H new ATOM 0 H2' DG A 4 0.192 -0.465 7.988 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.940 -0.354 7.936 1.00 0.00 H new ATOM 0 H1' DG A 4 2.174 -2.470 6.838 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.570 -1.652 6.380 1.00 0.00 H new ATOM 0 H1 DG A 4 2.101 -1.622 1.087 1.00 0.00 H new ATOM 0 H21 DG A 4 4.744 -2.037 3.370 1.00 0.00 H new ATOM 0 H22 DG A 4 4.262 -1.846 1.681 1.00 0.00 H new ATOM 127 P DT A 5 3.166 -0.271 10.528 1.00 0.00 P ATOM 128 OP1 DT A 5 4.314 -0.614 11.395 1.00 0.00 O ATOM 129 OP2 DT A 5 2.090 0.600 11.051 1.00 0.00 O ATOM 130 O5' DT A 5 3.747 0.410 9.180 1.00 0.00 O ATOM 131 C5' DT A 5 4.831 -0.156 8.465 1.00 0.00 C ATOM 132 C4' DT A 5 5.090 0.588 7.146 1.00 0.00 C ATOM 133 O4' DT A 5 4.035 0.394 6.219 1.00 0.00 O ATOM 134 C3' DT A 5 5.238 2.108 7.324 1.00 0.00 C ATOM 135 O3' DT A 5 6.577 2.474 7.014 1.00 0.00 O ATOM 136 C2' DT A 5 4.213 2.687 6.354 1.00 0.00 C ATOM 137 C1' DT A 5 4.012 1.533 5.381 1.00 0.00 C ATOM 138 N1 DT A 5 2.738 1.600 4.614 1.00 0.00 N ATOM 139 C2 DT A 5 2.780 1.516 3.220 1.00 0.00 C ATOM 140 O2 DT A 5 3.822 1.439 2.573 1.00 0.00 O ATOM 141 N3 DT A 5 1.556 1.518 2.569 1.00 0.00 N ATOM 142 C4 DT A 5 0.310 1.620 3.169 1.00 0.00 C ATOM 143 O4 DT A 5 -0.705 1.610 2.476 1.00 0.00 O ATOM 144 C5 DT A 5 0.351 1.699 4.619 1.00 0.00 C ATOM 145 C7 DT A 5 -0.941 1.815 5.404 1.00 0.00 C ATOM 146 C6 DT A 5 1.538 1.679 5.277 1.00 0.00 C ATOM 0 H5' DT A 5 4.621 -1.205 8.256 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.729 -0.127 9.082 1.00 0.00 H new ATOM 0 H4' DT A 5 6.026 0.167 6.779 1.00 0.00 H new ATOM 0 H3' DT A 5 5.057 2.475 8.335 1.00 0.00 H new ATOM 0 H2' DT A 5 3.286 2.963 6.857 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.584 3.582 5.855 1.00 0.00 H new ATOM 0 H1' DT A 5 4.778 1.536 4.606 1.00 0.00 H new ATOM 0 H3 DT A 5 1.574 1.437 1.552 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.817 1.347 6.381 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.194 2.867 5.535 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.743 1.314 4.861 1.00 0.00 H new ATOM 0 H6 DT A 5 1.539 1.727 6.356 1.00 0.00 H new ATOM 159 P DG A 6 7.113 4.001 7.062 1.00 0.00 P ATOM 160 OP1 DG A 6 8.578 3.965 7.274 1.00 0.00 O ATOM 161 OP2 DG A 6 6.257 4.767 7.994 1.00 0.00 O ATOM 162 O5' DG A 6 6.836 4.546 5.565 1.00 0.00 O ATOM 163 C5' DG A 6 7.640 4.153 4.466 1.00 0.00 C ATOM 164 C4' DG A 6 7.138 4.800 3.169 1.00 0.00 C ATOM 165 O4' DG A 6 5.865 4.295 2.820 1.00 0.00 O ATOM 166 C3' DG A 6 7.022 6.328 3.266 1.00 0.00 C ATOM 167 O3' DG A 6 7.908 6.887 2.301 1.00 0.00 O ATOM 168 C2' DG A 6 5.548 6.578 2.965 1.00 0.00 C ATOM 169 C1' DG A 6 5.172 5.339 2.173 1.00 0.00 C ATOM 170 N9 DG A 6 3.729 5.059 2.183 1.00 0.00 N ATOM 171 C8 DG A 6 2.910 4.894 3.262 1.00 0.00 C ATOM 172 N7 DG A 6 1.674 4.612 2.957 1.00 0.00 N ATOM 173 C5 DG A 6 1.678 4.585 1.564 1.00 0.00 C ATOM 174 C6 DG A 6 0.616 4.356 0.638 1.00 0.00 C ATOM 175 O6 DG A 6 -0.553 4.072 0.883 1.00 0.00 O ATOM 176 N1 DG A 6 1.024 4.501 -0.688 1.00 0.00 N ATOM 177 C2 DG A 6 2.314 4.803 -1.079 1.00 0.00 C ATOM 178 N2 DG A 6 2.545 4.956 -2.385 1.00 0.00 N ATOM 179 N3 DG A 6 3.321 4.977 -0.214 1.00 0.00 N ATOM 180 C4 DG A 6 2.935 4.864 1.084 1.00 0.00 C ATOM 0 H5' DG A 6 7.624 3.068 4.367 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.676 4.441 4.645 1.00 0.00 H new ATOM 0 H4' DG A 6 7.881 4.553 2.411 1.00 0.00 H new ATOM 0 H3' DG A 6 7.296 6.775 4.222 1.00 0.00 H new ATOM 0 H2' DG A 6 4.957 6.675 3.875 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.399 7.491 2.389 1.00 0.00 H new ATOM 0 H1' DG A 6 5.430 5.461 1.121 1.00 0.00 H new ATOM 0 H8 DG A 6 3.256 4.989 4.281 1.00 0.00 H new ATOM 0 H1 DG A 6 0.323 4.376 -1.418 1.00 0.00 H new ATOM 0 H21 DG A 6 3.484 5.179 -2.714 1.00 0.00 H new ATOM 0 H22 DG A 6 1.782 4.849 -3.054 1.00 0.00 H new ATOM 192 P DG A 7 7.965 8.461 1.937 1.00 0.00 P ATOM 193 OP1 DG A 7 9.310 8.756 1.394 1.00 0.00 O ATOM 194 OP2 DG A 7 7.458 9.228 3.096 1.00 0.00 O ATOM 195 O5' DG A 7 6.894 8.595 0.732 1.00 0.00 O ATOM 196 C5' DG A 7 7.143 8.055 -0.556 1.00 0.00 C ATOM 197 C4' DG A 7 6.000 8.415 -1.515 1.00 0.00 C ATOM 198 O4' DG A 7 4.804 7.747 -1.144 1.00 0.00 O ATOM 199 C3' DG A 7 5.717 9.925 -1.530 1.00 0.00 C ATOM 200 O3' DG A 7 5.801 10.400 -2.869 1.00 0.00 O ATOM 201 C2' DG A 7 4.291 9.968 -0.989 1.00 0.00 C ATOM 202 C1' DG A 7 3.736 8.621 -1.433 1.00 0.00 C ATOM 203 N9 DG A 7 2.504 8.219 -0.714 1.00 0.00 N ATOM 204 C8 DG A 7 2.349 7.997 0.628 1.00 0.00 C ATOM 205 N7 DG A 7 1.154 7.622 0.982 1.00 0.00 N ATOM 206 C5 DG A 7 0.455 7.579 -0.217 1.00 0.00 C ATOM 207 C6 DG A 7 -0.908 7.237 -0.467 1.00 0.00 C ATOM 208 O6 DG A 7 -1.749 6.848 0.339 1.00 0.00 O ATOM 209 N1 DG A 7 -1.263 7.407 -1.801 1.00 0.00 N ATOM 210 C2 DG A 7 -0.387 7.803 -2.794 1.00 0.00 C ATOM 211 N2 DG A 7 -0.901 7.996 -4.013 1.00 0.00 N ATOM 212 N3 DG A 7 0.912 8.065 -2.572 1.00 0.00 N ATOM 213 C4 DG A 7 1.269 7.949 -1.263 1.00 0.00 C ATOM 0 H5' DG A 7 7.244 6.972 -0.490 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.086 8.440 -0.943 1.00 0.00 H new ATOM 0 H4' DG A 7 6.320 8.100 -2.508 1.00 0.00 H new ATOM 0 H3' DG A 7 6.406 10.544 -0.955 1.00 0.00 H new ATOM 0 H2' DG A 7 4.270 10.079 0.095 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.723 10.800 -1.406 1.00 0.00 H new ATOM 0 H1' DG A 7 3.427 8.628 -2.478 1.00 0.00 H new ATOM 0 H8 DG A 7 3.154 8.123 1.337 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.232 7.228 -2.063 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.297 8.289 -4.781 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.897 7.850 -4.175 1.00 0.00 H new ATOM 225 P DC A 8 5.482 11.935 -3.287 1.00 0.00 P ATOM 226 OP1 DC A 8 6.193 12.220 -4.554 1.00 0.00 O ATOM 227 OP2 DC A 8 5.714 12.799 -2.109 1.00 0.00 O ATOM 228 O5' DC A 8 3.891 11.930 -3.597 1.00 0.00 O ATOM 229 C5' DC A 8 3.364 11.275 -4.736 1.00 0.00 C ATOM 230 C4' DC A 8 1.856 11.501 -4.909 1.00 0.00 C ATOM 231 O4' DC A 8 1.135 10.765 -3.944 1.00 0.00 O ATOM 232 C3' DC A 8 1.392 12.960 -4.754 1.00 0.00 C ATOM 233 O3' DC A 8 1.150 13.542 -6.017 1.00 0.00 O ATOM 234 C2' DC A 8 0.099 12.861 -3.940 1.00 0.00 C ATOM 235 C1' DC A 8 -0.144 11.358 -3.816 1.00 0.00 C ATOM 236 N1 DC A 8 -0.750 11.016 -2.501 1.00 0.00 N ATOM 237 C2 DC A 8 -2.114 10.737 -2.422 1.00 0.00 C ATOM 238 O2 DC A 8 -2.831 10.803 -3.417 1.00 0.00 O ATOM 239 N3 DC A 8 -2.639 10.387 -1.211 1.00 0.00 N ATOM 240 C4 DC A 8 -1.865 10.307 -0.116 1.00 0.00 C ATOM 241 N4 DC A 8 -2.426 9.921 1.034 1.00 0.00 N ATOM 242 C5 DC A 8 -0.456 10.592 -0.175 1.00 0.00 C ATOM 243 C6 DC A 8 0.041 10.944 -1.384 1.00 0.00 C ATOM 0 H5' DC A 8 3.560 10.206 -4.657 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.884 11.629 -5.626 1.00 0.00 H new ATOM 0 H4' DC A 8 1.662 11.182 -5.933 1.00 0.00 H new ATOM 0 H3' DC A 8 2.139 13.588 -4.269 1.00 0.00 H new ATOM 0 H2' DC A 8 0.206 13.330 -2.962 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.729 13.359 -4.444 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.854 14.469 -5.899 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.841 11.001 -4.574 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.860 9.852 1.880 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.420 9.695 1.066 1.00 0.00 H new ATOM 0 H5 DC A 8 0.173 10.528 0.701 1.00 0.00 H new ATOM 0 H6 DC A 8 1.092 11.175 -1.471 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -12.727 6.867 0.125 1.00 0.00 O ATOM 258 C5' G B 1 -13.489 7.479 -0.894 1.00 0.00 C ATOM 259 C4' G B 1 -12.599 8.165 -1.936 1.00 0.00 C ATOM 260 O4' G B 1 -11.817 9.204 -1.353 1.00 0.00 O ATOM 261 C3' G B 1 -11.602 7.213 -2.602 1.00 0.00 C ATOM 262 O3' G B 1 -12.158 6.430 -3.642 1.00 0.00 O ATOM 263 C2' G B 1 -10.617 8.238 -3.128 1.00 0.00 C ATOM 264 O2' G B 1 -11.118 8.883 -4.283 1.00 0.00 O ATOM 265 C1' G B 1 -10.540 9.241 -1.985 1.00 0.00 C ATOM 266 N9 G B 1 -9.454 9.016 -1.008 1.00 0.00 N ATOM 267 C8 G B 1 -9.512 8.542 0.276 1.00 0.00 C ATOM 268 N7 G B 1 -8.381 8.619 0.925 1.00 0.00 N ATOM 269 C5 G B 1 -7.505 9.193 0.008 1.00 0.00 C ATOM 270 C6 G B 1 -6.113 9.508 0.116 1.00 0.00 C ATOM 271 O6 G B 1 -5.368 9.343 1.080 1.00 0.00 O ATOM 272 N1 G B 1 -5.597 10.051 -1.059 1.00 0.00 N ATOM 273 C2 G B 1 -6.341 10.292 -2.200 1.00 0.00 C ATOM 274 N2 G B 1 -5.710 10.805 -3.259 1.00 0.00 N ATOM 275 N3 G B 1 -7.646 10.003 -2.302 1.00 0.00 N ATOM 276 C4 G B 1 -8.162 9.450 -1.171 1.00 0.00 C ATOM 0 H5' G B 1 -14.164 8.213 -0.453 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.110 6.729 -1.384 1.00 0.00 H new ATOM 0 H4' G B 1 -13.300 8.550 -2.676 1.00 0.00 H new ATOM 0 H3' G B 1 -11.198 6.449 -1.938 1.00 0.00 H new ATOM 0 H2' G B 1 -9.660 7.798 -3.410 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.729 8.280 -4.755 1.00 0.00 H new ATOM 0 HO5' G B 1 -13.328 6.441 0.772 1.00 0.00 H new ATOM 0 H1' G B 1 -10.293 10.219 -2.398 1.00 0.00 H new ATOM 0 H8 G B 1 -10.414 8.140 0.713 1.00 0.00 H new ATOM 0 H1 G B 1 -4.605 10.286 -1.079 1.00 0.00 H new ATOM 0 H21 G B 1 -6.227 10.996 -4.118 1.00 0.00 H new ATOM 0 H22 G B 1 -4.711 11.006 -3.209 1.00 0.00 H new ATOM 289 P C B 2 -11.393 5.126 -4.215 1.00 0.00 P ATOM 290 OP1 C B 2 -12.126 4.659 -5.413 1.00 0.00 O ATOM 291 OP2 C B 2 -11.191 4.202 -3.078 1.00 0.00 O ATOM 292 O5' C B 2 -9.935 5.649 -4.684 1.00 0.00 O ATOM 293 C5' C B 2 -9.706 6.251 -5.947 1.00 0.00 C ATOM 294 C4' C B 2 -8.234 6.679 -6.062 1.00 0.00 C ATOM 295 O4' C B 2 -7.840 7.498 -4.965 1.00 0.00 O ATOM 296 C3' C B 2 -7.291 5.480 -6.032 1.00 0.00 C ATOM 297 O3' C B 2 -7.099 4.846 -7.290 1.00 0.00 O ATOM 298 C2' C B 2 -6.016 6.142 -5.543 1.00 0.00 C ATOM 299 O2' C B 2 -5.228 6.597 -6.627 1.00 0.00 O ATOM 300 C1' C B 2 -6.439 7.372 -4.753 1.00 0.00 C ATOM 301 N1 C B 2 -6.025 7.233 -3.327 1.00 0.00 N ATOM 302 C2 C B 2 -4.663 7.363 -3.030 1.00 0.00 C ATOM 303 O2 C B 2 -3.863 7.788 -3.861 1.00 0.00 O ATOM 304 N3 C B 2 -4.224 6.992 -1.794 1.00 0.00 N ATOM 305 C4 C B 2 -5.076 6.525 -0.870 1.00 0.00 C ATOM 306 N4 C B 2 -4.591 6.164 0.321 1.00 0.00 N ATOM 307 C5 C B 2 -6.489 6.474 -1.120 1.00 0.00 C ATOM 308 C6 C B 2 -6.912 6.848 -2.351 1.00 0.00 C ATOM 0 H5' C B 2 -10.356 7.117 -6.070 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.954 5.550 -6.744 1.00 0.00 H new ATOM 0 H4' C B 2 -8.165 7.215 -7.009 1.00 0.00 H new ATOM 0 H3' C B 2 -7.667 4.662 -5.418 1.00 0.00 H new ATOM 0 H2' C B 2 -5.438 5.428 -4.957 1.00 0.00 H new ATOM 0 HO2' C B 2 -4.488 7.143 -6.287 1.00 0.00 H new ATOM 0 H1' C B 2 -5.953 8.292 -5.079 1.00 0.00 H new ATOM 0 H41 C B 2 -5.219 5.806 1.040 1.00 0.00 H new ATOM 0 H42 C B 2 -3.592 6.247 0.511 1.00 0.00 H new ATOM 0 H5 C B 2 -7.184 6.151 -0.359 1.00 0.00 H new ATOM 0 H6 C B 2 -7.970 6.844 -2.570 1.00 0.00 H new ATOM 320 P C B 3 -6.176 3.515 -7.449 1.00 0.00 P ATOM 321 OP1 C B 3 -6.467 2.934 -8.778 1.00 0.00 O ATOM 322 OP2 C B 3 -6.375 2.688 -6.239 1.00 0.00 O ATOM 323 O5' C B 3 -4.627 4.007 -7.450 1.00 0.00 O ATOM 324 C5' C B 3 -4.018 4.577 -8.599 1.00 0.00 C ATOM 325 C4' C B 3 -2.532 4.919 -8.383 1.00 0.00 C ATOM 326 O4' C B 3 -2.322 5.885 -7.353 1.00 0.00 O ATOM 327 C3' C B 3 -1.684 3.706 -8.002 1.00 0.00 C ATOM 328 O3' C B 3 -1.296 2.924 -9.119 1.00 0.00 O ATOM 329 C2' C B 3 -0.501 4.413 -7.361 1.00 0.00 C ATOM 330 O2' C B 3 0.371 4.966 -8.327 1.00 0.00 O ATOM 331 C1' C B 3 -1.159 5.552 -6.589 1.00 0.00 C ATOM 332 N1 C B 3 -1.485 5.155 -5.188 1.00 0.00 N ATOM 333 C2 C B 3 -0.433 4.904 -4.303 1.00 0.00 C ATOM 334 O2 C B 3 0.732 5.095 -4.641 1.00 0.00 O ATOM 335 N3 C B 3 -0.723 4.453 -3.047 1.00 0.00 N ATOM 336 C4 C B 3 -1.992 4.241 -2.665 1.00 0.00 C ATOM 337 N4 C B 3 -2.239 3.800 -1.428 1.00 0.00 N ATOM 338 C5 C B 3 -3.088 4.545 -3.536 1.00 0.00 C ATOM 339 C6 C B 3 -2.780 5.003 -4.770 1.00 0.00 C ATOM 0 H5' C B 3 -4.557 5.482 -8.878 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.108 3.882 -9.434 1.00 0.00 H new ATOM 0 H4' C B 3 -2.225 5.314 -9.351 1.00 0.00 H new ATOM 0 H3' C B 3 -2.195 2.980 -7.370 1.00 0.00 H new ATOM 0 H2' C B 3 0.098 3.733 -6.756 1.00 0.00 H new ATOM 0 HO2' C B 3 0.197 4.553 -9.199 1.00 0.00 H new ATOM 0 H1' C B 3 -0.498 6.412 -6.477 1.00 0.00 H new ATOM 0 H41 C B 3 -3.200 3.636 -1.128 1.00 0.00 H new ATOM 0 H42 C B 3 -1.467 3.628 -0.784 1.00 0.00 H new ATOM 0 H5 C B 3 -4.113 4.414 -3.221 1.00 0.00 H new ATOM 0 H6 C B 3 -3.581 5.257 -5.448 1.00 0.00 H new ATOM 351 P A B 4 -0.681 1.436 -8.951 1.00 0.00 P ATOM 352 OP1 A B 4 -0.304 0.949 -10.296 1.00 0.00 O ATOM 353 OP2 A B 4 -1.629 0.649 -8.131 1.00 0.00 O ATOM 354 O5' A B 4 0.671 1.618 -8.086 1.00 0.00 O ATOM 355 C5' A B 4 1.880 2.089 -8.652 1.00 0.00 C ATOM 356 C4' A B 4 2.934 2.263 -7.549 1.00 0.00 C ATOM 357 O4' A B 4 2.426 2.995 -6.438 1.00 0.00 O ATOM 358 C3' A B 4 3.420 0.920 -7.016 1.00 0.00 C ATOM 359 O3' A B 4 4.443 0.383 -7.843 1.00 0.00 O ATOM 360 C2' A B 4 3.911 1.359 -5.645 1.00 0.00 C ATOM 361 O2' A B 4 5.232 1.853 -5.675 1.00 0.00 O ATOM 362 C1' A B 4 2.938 2.448 -5.231 1.00 0.00 C ATOM 363 N9 A B 4 1.852 1.968 -4.338 1.00 0.00 N ATOM 364 C8 A B 4 0.519 1.764 -4.603 1.00 0.00 C ATOM 365 N7 A B 4 -0.199 1.472 -3.552 1.00 0.00 N ATOM 366 C5 A B 4 0.720 1.482 -2.510 1.00 0.00 C ATOM 367 C6 A B 4 0.602 1.295 -1.115 1.00 0.00 C ATOM 368 N6 A B 4 -0.567 1.077 -0.502 1.00 0.00 N ATOM 369 N1 A B 4 1.715 1.368 -0.361 1.00 0.00 N ATOM 370 C2 A B 4 2.881 1.619 -0.951 1.00 0.00 C ATOM 371 N3 A B 4 3.122 1.829 -2.243 1.00 0.00 N ATOM 372 C4 A B 4 1.980 1.751 -2.983 1.00 0.00 C ATOM 0 H5' A B 4 1.710 3.039 -9.159 1.00 0.00 H new ATOM 0 H5'' A B 4 2.239 1.386 -9.404 1.00 0.00 H new ATOM 0 H4' A B 4 3.755 2.807 -8.015 1.00 0.00 H new ATOM 0 H3' A B 4 2.685 0.116 -6.985 1.00 0.00 H new ATOM 0 H2' A B 4 3.940 0.522 -4.947 1.00 0.00 H new ATOM 0 HO2' A B 4 5.501 2.123 -4.772 1.00 0.00 H new ATOM 0 H1' A B 4 3.454 3.199 -4.633 1.00 0.00 H new ATOM 0 H8 A B 4 0.101 1.839 -5.596 1.00 0.00 H new ATOM 0 H61 A B 4 -0.596 0.948 0.509 1.00 0.00 H new ATOM 0 H62 A B 4 -1.429 1.040 -1.046 1.00 0.00 H new ATOM 0 H2 A B 4 3.741 1.657 -0.299 1.00 0.00 H new ATOM 384 P DC B 5 4.813 -1.189 -7.860 1.00 0.00 P ATOM 385 OP1 DC B 5 5.936 -1.383 -8.803 1.00 0.00 O ATOM 386 OP2 DC B 5 3.558 -1.949 -8.051 1.00 0.00 O ATOM 387 O5' DC B 5 5.348 -1.492 -6.374 1.00 0.00 O ATOM 388 C5' DC B 5 6.643 -1.116 -5.935 1.00 0.00 C ATOM 389 C4' DC B 5 6.677 -1.317 -4.417 1.00 0.00 C ATOM 390 O4' DC B 5 5.510 -0.750 -3.854 1.00 0.00 O ATOM 391 C3' DC B 5 6.715 -2.799 -4.048 1.00 0.00 C ATOM 392 O3' DC B 5 8.037 -3.164 -3.672 1.00 0.00 O ATOM 393 C2' DC B 5 5.721 -2.885 -2.905 1.00 0.00 C ATOM 394 C1' DC B 5 5.179 -1.479 -2.693 1.00 0.00 C ATOM 395 N1 DC B 5 3.718 -1.547 -2.418 1.00 0.00 N ATOM 396 C2 DC B 5 3.310 -1.827 -1.113 1.00 0.00 C ATOM 397 O2 DC B 5 4.130 -1.965 -0.210 1.00 0.00 O ATOM 398 N3 DC B 5 1.978 -1.952 -0.856 1.00 0.00 N ATOM 399 C4 DC B 5 1.069 -1.849 -1.835 1.00 0.00 C ATOM 400 N4 DC B 5 -0.224 -1.958 -1.517 1.00 0.00 N ATOM 401 C5 DC B 5 1.466 -1.606 -3.193 1.00 0.00 C ATOM 402 C6 DC B 5 2.792 -1.468 -3.428 1.00 0.00 C ATOM 0 H5' DC B 5 6.851 -0.077 -6.191 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.407 -1.723 -6.422 1.00 0.00 H new ATOM 0 H4' DC B 5 7.577 -0.838 -4.032 1.00 0.00 H new ATOM 0 H3' DC B 5 6.455 -3.483 -4.856 1.00 0.00 H new ATOM 0 H2' DC B 5 4.915 -3.579 -3.144 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.203 -3.255 -2.000 1.00 0.00 H new ATOM 0 H1' DC B 5 5.613 -0.976 -1.829 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.936 -1.883 -2.244 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.499 -2.116 -0.548 1.00 0.00 H new ATOM 0 H5 DC B 5 0.741 -1.537 -3.990 1.00 0.00 H new ATOM 0 H6 DC B 5 3.131 -1.291 -4.438 1.00 0.00 H new ATOM 414 P DT B 6 8.471 -4.679 -3.294 1.00 0.00 P ATOM 415 OP1 DT B 6 9.948 -4.748 -3.335 1.00 0.00 O ATOM 416 OP2 DT B 6 7.673 -5.608 -4.125 1.00 0.00 O ATOM 417 O5' DT B 6 8.010 -4.872 -1.757 1.00 0.00 O ATOM 418 C5' DT B 6 8.581 -4.123 -0.695 1.00 0.00 C ATOM 419 C4' DT B 6 7.872 -4.496 0.613 1.00 0.00 C ATOM 420 O4' DT B 6 6.486 -4.258 0.469 1.00 0.00 O ATOM 421 C3' DT B 6 8.082 -5.966 0.998 1.00 0.00 C ATOM 422 O3' DT B 6 8.572 -6.022 2.336 1.00 0.00 O ATOM 423 C2' DT B 6 6.668 -6.519 0.877 1.00 0.00 C ATOM 424 C1' DT B 6 5.818 -5.282 1.162 1.00 0.00 C ATOM 425 N1 DT B 6 4.410 -5.360 0.697 1.00 0.00 N ATOM 426 C2 DT B 6 3.376 -5.089 1.596 1.00 0.00 C ATOM 427 O2 DT B 6 3.544 -4.960 2.806 1.00 0.00 O ATOM 428 N3 DT B 6 2.107 -4.972 1.051 1.00 0.00 N ATOM 429 C4 DT B 6 1.772 -5.125 -0.285 1.00 0.00 C ATOM 430 O4 DT B 6 0.602 -5.010 -0.644 1.00 0.00 O ATOM 431 C5 DT B 6 2.900 -5.406 -1.154 1.00 0.00 C ATOM 432 C7 DT B 6 2.670 -5.562 -2.644 1.00 0.00 C ATOM 433 C6 DT B 6 4.153 -5.510 -0.642 1.00 0.00 C ATOM 0 H5' DT B 6 8.478 -3.055 -0.889 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.648 -4.331 -0.618 1.00 0.00 H new ATOM 0 H4' DT B 6 8.301 -3.881 1.404 1.00 0.00 H new ATOM 0 H3' DT B 6 8.800 -6.519 0.393 1.00 0.00 H new ATOM 0 H2' DT B 6 6.473 -6.928 -0.114 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.479 -7.318 1.594 1.00 0.00 H new ATOM 0 H1' DT B 6 5.727 -5.137 2.239 1.00 0.00 H new ATOM 0 H3 DT B 6 1.347 -4.752 1.695 1.00 0.00 H new ATOM 0 H71 DT B 6 1.669 -5.957 -2.818 1.00 0.00 H new ATOM 0 H72 DT B 6 2.767 -4.591 -3.131 1.00 0.00 H new ATOM 0 H73 DT B 6 3.408 -6.250 -3.056 1.00 0.00 H new ATOM 0 H6 DT B 6 4.975 -5.718 -1.311 1.00 0.00 H new ATOM 446 P DG B 7 8.826 -7.409 3.136 1.00 0.00 P ATOM 447 OP1 DG B 7 9.798 -7.136 4.219 1.00 0.00 O ATOM 448 OP2 DG B 7 9.116 -8.467 2.144 1.00 0.00 O ATOM 449 O5' DG B 7 7.393 -7.741 3.819 1.00 0.00 O ATOM 450 C5' DG B 7 6.919 -7.034 4.952 1.00 0.00 C ATOM 451 C4' DG B 7 5.569 -7.578 5.447 1.00 0.00 C ATOM 452 O4' DG B 7 4.517 -7.252 4.554 1.00 0.00 O ATOM 453 C3' DG B 7 5.553 -9.108 5.607 1.00 0.00 C ATOM 454 O3' DG B 7 5.244 -9.411 6.965 1.00 0.00 O ATOM 455 C2' DG B 7 4.479 -9.550 4.622 1.00 0.00 C ATOM 456 C1' DG B 7 3.588 -8.318 4.594 1.00 0.00 C ATOM 457 N9 DG B 7 2.680 -8.266 3.440 1.00 0.00 N ATOM 458 C8 DG B 7 3.036 -8.354 2.136 1.00 0.00 C ATOM 459 N7 DG B 7 2.063 -8.186 1.287 1.00 0.00 N ATOM 460 C5 DG B 7 0.957 -7.982 2.108 1.00 0.00 C ATOM 461 C6 DG B 7 -0.412 -7.753 1.770 1.00 0.00 C ATOM 462 O6 DG B 7 -0.900 -7.606 0.653 1.00 0.00 O ATOM 463 N1 DG B 7 -1.235 -7.711 2.894 1.00 0.00 N ATOM 464 C2 DG B 7 -0.786 -7.822 4.198 1.00 0.00 C ATOM 465 N2 DG B 7 -1.699 -7.779 5.173 1.00 0.00 N ATOM 466 N3 DG B 7 0.507 -7.980 4.518 1.00 0.00 N ATOM 467 C4 DG B 7 1.322 -8.059 3.433 1.00 0.00 C ATOM 0 H5' DG B 7 6.815 -5.978 4.703 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.653 -7.101 5.755 1.00 0.00 H new ATOM 0 H4' DG B 7 5.425 -7.107 6.419 1.00 0.00 H new ATOM 0 H3' DG B 7 6.495 -9.616 5.398 1.00 0.00 H new ATOM 0 H2' DG B 7 4.891 -9.784 3.640 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.946 -10.437 4.964 1.00 0.00 H new ATOM 0 H1' DG B 7 2.915 -8.295 5.451 1.00 0.00 H new ATOM 0 H8 DG B 7 4.051 -8.549 1.824 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.237 -7.590 2.745 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.408 -7.857 6.148 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.686 -7.668 4.942 1.00 0.00 H new ATOM 479 P DC B 8 4.989 -10.913 7.516 1.00 0.00 P ATOM 480 OP1 DC B 8 5.406 -10.958 8.935 1.00 0.00 O ATOM 481 OP2 DC B 8 5.568 -11.875 6.552 1.00 0.00 O ATOM 482 O5' DC B 8 3.377 -11.055 7.463 1.00 0.00 O ATOM 483 C5' DC B 8 2.546 -10.440 8.435 1.00 0.00 C ATOM 484 C4' DC B 8 1.063 -10.678 8.122 1.00 0.00 C ATOM 485 O4' DC B 8 0.742 -10.238 6.813 1.00 0.00 O ATOM 486 C3' DC B 8 0.673 -12.156 8.193 1.00 0.00 C ATOM 487 O3' DC B 8 0.005 -12.441 9.405 1.00 0.00 O ATOM 488 C2' DC B 8 -0.260 -12.346 6.997 1.00 0.00 C ATOM 489 C1' DC B 8 -0.400 -10.956 6.374 1.00 0.00 C ATOM 490 N1 DC B 8 -0.454 -11.038 4.886 1.00 0.00 N ATOM 491 C2 DC B 8 -1.681 -10.926 4.227 1.00 0.00 C ATOM 492 O2 DC B 8 -2.734 -10.811 4.851 1.00 0.00 O ATOM 493 N3 DC B 8 -1.690 -10.935 2.861 1.00 0.00 N ATOM 494 C4 DC B 8 -0.554 -11.082 2.160 1.00 0.00 C ATOM 495 N4 DC B 8 -0.606 -11.034 0.826 1.00 0.00 N ATOM 496 C5 DC B 8 0.709 -11.253 2.817 1.00 0.00 C ATOM 497 C6 DC B 8 0.701 -11.221 4.169 1.00 0.00 C ATOM 0 H5' DC B 8 2.747 -9.369 8.465 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.781 -10.837 9.423 1.00 0.00 H new ATOM 0 H4' DC B 8 0.517 -10.115 8.879 1.00 0.00 H new ATOM 0 H3' DC B 8 1.535 -12.822 8.163 1.00 0.00 H new ATOM 0 H2' DC B 8 0.155 -13.058 6.283 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.228 -12.736 7.311 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.237 -13.390 9.430 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.325 -10.464 6.676 1.00 0.00 H new ATOM 0 H41 DC B 8 0.247 -11.144 0.278 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.499 -10.888 0.355 1.00 0.00 H new ATOM 0 H5 DC B 8 1.622 -11.400 2.259 1.00 0.00 H new ATOM 0 H6 DC B 8 1.633 -11.343 4.701 1.00 0.00 H new TER 510 DC B 8