USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 23:sc= 0.151 USER MOD Single : A 2 DT C7 :methyl -30:sc= -2.84! (180deg=-3.42!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 30:sc= 0.0647 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.463 (180deg=-0.981) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.607 (180deg=-2.43!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 2.060 -7.756 -2.253 1.00 0.00 O ATOM 2 C5' DG A 1 3.338 -8.175 -1.812 1.00 0.00 C ATOM 3 C4' DG A 1 3.861 -7.298 -0.668 1.00 0.00 C ATOM 4 O4' DG A 1 3.555 -5.947 -0.976 1.00 0.00 O ATOM 5 C3' DG A 1 3.250 -7.709 0.685 1.00 0.00 C ATOM 6 O3' DG A 1 3.996 -7.352 1.821 1.00 0.00 O ATOM 7 C2' DG A 1 2.177 -6.650 0.713 1.00 0.00 C ATOM 8 C1' DG A 1 2.957 -5.437 0.186 1.00 0.00 C ATOM 9 N9 DG A 1 2.115 -4.279 -0.127 1.00 0.00 N ATOM 10 C8 DG A 1 0.833 -4.285 -0.575 1.00 0.00 C ATOM 11 N7 DG A 1 0.338 -3.100 -0.811 1.00 0.00 N ATOM 12 C5 DG A 1 1.384 -2.233 -0.460 1.00 0.00 C ATOM 13 C6 DG A 1 1.500 -0.798 -0.481 1.00 0.00 C ATOM 14 O6 DG A 1 0.681 0.058 -0.815 1.00 0.00 O ATOM 15 N1 DG A 1 2.743 -0.350 -0.067 1.00 0.00 N ATOM 16 C2 DG A 1 3.744 -1.159 0.377 1.00 0.00 C ATOM 17 N2 DG A 1 4.812 -0.576 0.866 1.00 0.00 N ATOM 18 N3 DG A 1 3.669 -2.486 0.422 1.00 0.00 N ATOM 19 C4 DG A 1 2.471 -2.962 -0.024 1.00 0.00 C ATOM 0 H5' DG A 1 4.039 -8.141 -2.646 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.286 -9.212 -1.481 1.00 0.00 H new ATOM 0 H4' DG A 1 4.939 -7.426 -0.572 1.00 0.00 H new ATOM 0 H3' DG A 1 3.061 -8.781 0.730 1.00 0.00 H new ATOM 0 H2' DG A 1 1.329 -6.904 0.077 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.785 -6.485 1.717 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.926 -6.814 -2.019 1.00 0.00 H new ATOM 0 H1' DG A 1 3.655 -5.051 0.929 1.00 0.00 H new ATOM 0 H8 DG A 1 0.270 -5.194 -0.724 1.00 0.00 H new ATOM 0 H1 DG A 1 2.921 0.654 -0.097 1.00 0.00 H new ATOM 0 H21 DG A 1 5.588 -1.140 1.211 1.00 0.00 H new ATOM 0 H22 DG A 1 4.866 0.442 0.901 1.00 0.00 H new ATOM 32 P DT A 2 4.090 -8.301 3.110 1.00 0.00 P ATOM 33 OP1 DT A 2 4.342 -9.684 2.653 1.00 0.00 O ATOM 34 OP2 DT A 2 2.974 -7.979 4.018 1.00 0.00 O ATOM 35 O5' DT A 2 5.446 -7.659 3.661 1.00 0.00 O ATOM 36 C5' DT A 2 6.617 -7.481 2.886 1.00 0.00 C ATOM 37 C4' DT A 2 7.305 -6.191 3.365 1.00 0.00 C ATOM 38 O4' DT A 2 6.538 -5.082 2.882 1.00 0.00 O ATOM 39 C3' DT A 2 7.408 -6.042 4.888 1.00 0.00 C ATOM 40 O3' DT A 2 8.635 -5.396 5.195 1.00 0.00 O ATOM 41 C2' DT A 2 6.192 -5.181 5.219 1.00 0.00 C ATOM 42 C1' DT A 2 6.069 -4.300 3.974 1.00 0.00 C ATOM 43 N1 DT A 2 4.692 -3.756 3.732 1.00 0.00 N ATOM 44 C2 DT A 2 4.565 -2.367 3.576 1.00 0.00 C ATOM 45 O2 DT A 2 5.525 -1.608 3.456 1.00 0.00 O ATOM 46 N3 DT A 2 3.285 -1.853 3.494 1.00 0.00 N ATOM 47 C4 DT A 2 2.132 -2.608 3.419 1.00 0.00 C ATOM 48 O4 DT A 2 1.070 -2.044 3.181 1.00 0.00 O ATOM 49 C5 DT A 2 2.319 -4.044 3.591 1.00 0.00 C ATOM 50 C7 DT A 2 1.113 -4.973 3.631 1.00 0.00 C ATOM 51 C6 DT A 2 3.567 -4.566 3.715 1.00 0.00 C ATOM 0 H5' DT A 2 6.368 -7.411 1.827 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.284 -8.335 3.000 1.00 0.00 H new ATOM 0 H4' DT A 2 8.325 -6.228 2.981 1.00 0.00 H new ATOM 0 H3' DT A 2 7.408 -6.974 5.454 1.00 0.00 H new ATOM 0 H2' DT A 2 5.298 -5.784 5.381 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.345 -4.590 6.122 1.00 0.00 H new ATOM 0 H1' DT A 2 6.668 -3.400 4.110 1.00 0.00 H new ATOM 0 H3 DT A 2 3.185 -0.838 3.488 1.00 0.00 H new ATOM 0 H71 DT A 2 0.256 -4.439 4.042 1.00 0.00 H new ATOM 0 H72 DT A 2 0.880 -5.310 2.621 1.00 0.00 H new ATOM 0 H73 DT A 2 1.339 -5.835 4.258 1.00 0.00 H new ATOM 0 H6 DT A 2 3.685 -5.636 3.802 1.00 0.00 H new ATOM 64 P DA A 3 9.179 -5.262 6.710 1.00 0.00 P ATOM 65 OP1 DA A 3 10.653 -5.158 6.651 1.00 0.00 O ATOM 66 OP2 DA A 3 8.544 -6.318 7.527 1.00 0.00 O ATOM 67 O5' DA A 3 8.586 -3.834 7.171 1.00 0.00 O ATOM 68 C5' DA A 3 9.130 -2.628 6.657 1.00 0.00 C ATOM 69 C4' DA A 3 8.521 -1.371 7.290 1.00 0.00 C ATOM 70 O4' DA A 3 7.208 -1.153 6.791 1.00 0.00 O ATOM 71 C3' DA A 3 8.450 -1.411 8.823 1.00 0.00 C ATOM 72 O3' DA A 3 9.029 -0.207 9.299 1.00 0.00 O ATOM 73 C2' DA A 3 6.945 -1.503 9.078 1.00 0.00 C ATOM 74 C1' DA A 3 6.368 -0.775 7.864 1.00 0.00 C ATOM 75 N9 DA A 3 4.979 -1.162 7.523 1.00 0.00 N ATOM 76 C8 DA A 3 4.432 -2.420 7.446 1.00 0.00 C ATOM 77 N7 DA A 3 3.204 -2.453 7.004 1.00 0.00 N ATOM 78 C5 DA A 3 2.901 -1.100 6.820 1.00 0.00 C ATOM 79 C6 DA A 3 1.755 -0.393 6.391 1.00 0.00 C ATOM 80 N6 DA A 3 0.632 -0.978 6.010 1.00 0.00 N ATOM 81 N1 DA A 3 1.749 0.945 6.356 1.00 0.00 N ATOM 82 C2 DA A 3 2.860 1.579 6.722 1.00 0.00 C ATOM 83 N3 DA A 3 4.018 1.051 7.107 1.00 0.00 N ATOM 84 C4 DA A 3 3.971 -0.308 7.143 1.00 0.00 C ATOM 0 H5' DA A 3 8.972 -2.597 5.579 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.207 -2.624 6.822 1.00 0.00 H new ATOM 0 H4' DA A 3 9.193 -0.558 7.014 1.00 0.00 H new ATOM 0 H3' DA A 3 8.979 -2.225 9.319 1.00 0.00 H new ATOM 0 H2' DA A 3 6.604 -2.537 9.133 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.660 -1.023 10.014 1.00 0.00 H new ATOM 0 H1' DA A 3 6.332 0.294 8.071 1.00 0.00 H new ATOM 0 H8 DA A 3 4.974 -3.310 7.728 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.162 -0.412 5.711 1.00 0.00 H new ATOM 0 H62 DA A 3 0.560 -1.995 6.016 1.00 0.00 H new ATOM 0 H2 DA A 3 2.816 2.658 6.704 1.00 0.00 H new ATOM 96 P DC A 4 9.191 0.142 10.868 1.00 0.00 P ATOM 97 OP1 DC A 4 10.499 0.807 11.059 1.00 0.00 O ATOM 98 OP2 DC A 4 8.829 -1.047 11.668 1.00 0.00 O ATOM 99 O5' DC A 4 8.031 1.244 11.026 1.00 0.00 O ATOM 100 C5' DC A 4 8.109 2.465 10.306 1.00 0.00 C ATOM 101 C4' DC A 4 6.797 3.249 10.374 1.00 0.00 C ATOM 102 O4' DC A 4 5.744 2.433 9.884 1.00 0.00 O ATOM 103 C3' DC A 4 6.434 3.723 11.787 1.00 0.00 C ATOM 104 O3' DC A 4 6.115 5.105 11.737 1.00 0.00 O ATOM 105 C2' DC A 4 5.219 2.872 12.128 1.00 0.00 C ATOM 106 C1' DC A 4 4.637 2.589 10.744 1.00 0.00 C ATOM 107 N1 DC A 4 3.766 1.383 10.651 1.00 0.00 N ATOM 108 C2 DC A 4 2.551 1.501 9.974 1.00 0.00 C ATOM 109 O2 DC A 4 2.135 2.587 9.578 1.00 0.00 O ATOM 110 N3 DC A 4 1.782 0.406 9.752 1.00 0.00 N ATOM 111 C4 DC A 4 2.153 -0.757 10.247 1.00 0.00 C ATOM 112 N4 DC A 4 1.398 -1.782 9.937 1.00 0.00 N ATOM 113 C5 DC A 4 3.312 -0.912 11.058 1.00 0.00 C ATOM 114 C6 DC A 4 4.120 0.172 11.200 1.00 0.00 C ATOM 0 H5' DC A 4 8.355 2.258 9.265 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.918 3.074 10.710 1.00 0.00 H new ATOM 0 H4' DC A 4 6.936 4.142 9.764 1.00 0.00 H new ATOM 0 H3' DC A 4 7.228 3.616 12.526 1.00 0.00 H new ATOM 0 H2' DC A 4 5.495 1.956 12.651 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.514 3.403 12.767 1.00 0.00 H new ATOM 0 H1' DC A 4 3.981 3.418 10.480 1.00 0.00 H new ATOM 0 H41 DC A 4 1.630 -2.711 10.288 1.00 0.00 H new ATOM 0 H42 DC A 4 0.578 -1.651 9.345 1.00 0.00 H new ATOM 0 H5 DC A 4 3.540 -1.851 11.540 1.00 0.00 H new ATOM 0 H6 DC A 4 5.046 0.082 11.748 1.00 0.00 H new HETATM 126 P NCX A 5 6.075 6.025 13.064 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.227 7.435 12.644 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.012 5.451 14.053 1.00 0.00 O HETATM 129 O5' NCX A 5 4.575 5.823 13.621 1.00 0.00 O HETATM 130 C5' NCX A 5 3.470 6.495 13.033 1.00 0.00 C HETATM 131 C4' NCX A 5 2.172 6.318 13.837 1.00 0.00 C HETATM 132 O4' NCX A 5 1.559 5.066 13.547 1.00 0.00 O HETATM 133 C1' NCX A 5 1.240 4.432 14.774 1.00 0.00 C HETATM 134 N9 NCX A 5 1.181 2.966 14.575 1.00 0.00 N HETATM 135 C8 NCX A 5 2.175 2.018 14.827 1.00 0.00 C HETATM 136 C7 NCX A 5 1.672 0.747 14.598 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.490 -0.479 14.681 1.00 0.00 C HETATM 138 O7 NCX A 5 3.621 -0.551 15.100 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.955 -1.600 14.203 1.00 0.00 N HETATM 140 C5 NCX A 5 0.282 0.939 14.359 1.00 0.00 C HETATM 141 C4 NCX A 5 0.047 2.280 14.304 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.232 2.786 14.074 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.297 1.883 14.061 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.078 0.506 14.248 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.228 -0.432 14.407 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.971 -1.625 14.441 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.349 0.043 14.469 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.760 0.026 14.330 1.00 0.00 C HETATM 149 C3' NCX A 5 2.380 6.392 15.358 1.00 0.00 C HETATM 150 C2' NCX A 5 2.306 4.922 15.751 1.00 0.00 C HETATM 151 O3' NCX A 5 1.303 7.133 15.901 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.482 -2.472 14.238 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.018 -1.587 13.801 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.699 7.557 12.949 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.011 4.784 16.791 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.190 2.243 15.154 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.561 -1.045 14.370 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.319 6.121 12.020 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.535 7.148 13.532 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.300 6.869 15.697 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.395 3.851 13.910 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.258 4.408 15.619 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.311 2.250 13.904 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.257 4.679 15.175 1.00 0.00 H new ATOM 165 P DA A 6 1.340 7.785 17.374 1.00 0.00 P ATOM 166 OP1 DA A 6 1.631 9.228 17.251 1.00 0.00 O ATOM 167 OP2 DA A 6 2.141 6.925 18.271 1.00 0.00 O ATOM 168 O5' DA A 6 -0.199 7.598 17.782 1.00 0.00 O ATOM 169 C5' DA A 6 -1.236 8.205 17.032 1.00 0.00 C ATOM 170 C4' DA A 6 -2.598 7.586 17.369 1.00 0.00 C ATOM 171 O4' DA A 6 -2.593 6.205 17.025 1.00 0.00 O ATOM 172 C3' DA A 6 -2.979 7.717 18.845 1.00 0.00 C ATOM 173 O3' DA A 6 -4.379 7.946 18.918 1.00 0.00 O ATOM 174 C2' DA A 6 -2.533 6.369 19.398 1.00 0.00 C ATOM 175 C1' DA A 6 -2.675 5.420 18.203 1.00 0.00 C ATOM 176 N9 DA A 6 -1.648 4.344 18.172 1.00 0.00 N ATOM 177 C8 DA A 6 -0.302 4.399 18.464 1.00 0.00 C ATOM 178 N7 DA A 6 0.307 3.243 18.422 1.00 0.00 N ATOM 179 C5 DA A 6 -0.707 2.358 18.047 1.00 0.00 C ATOM 180 C6 DA A 6 -0.767 0.965 17.811 1.00 0.00 C ATOM 181 N6 DA A 6 0.274 0.152 17.928 1.00 0.00 N ATOM 182 N1 DA A 6 -1.913 0.390 17.428 1.00 0.00 N ATOM 183 C2 DA A 6 -2.985 1.169 17.287 1.00 0.00 C ATOM 184 N3 DA A 6 -3.079 2.478 17.491 1.00 0.00 N ATOM 185 C4 DA A 6 -1.892 3.022 17.874 1.00 0.00 C ATOM 0 H5' DA A 6 -1.034 8.089 15.967 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.259 9.275 17.238 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.337 8.139 16.790 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.529 8.538 19.403 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.506 6.405 19.761 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.156 6.054 20.235 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.633 4.907 18.285 1.00 0.00 H new ATOM 0 H8 DA A 6 0.207 5.320 18.707 1.00 0.00 H new ATOM 0 H61 DA A 6 0.165 -0.845 17.744 1.00 0.00 H new ATOM 0 H62 DA A 6 1.183 0.524 18.202 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.890 0.674 16.967 1.00 0.00 H new ATOM 197 P DC A 7 -5.168 8.116 20.315 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.344 8.983 20.086 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.193 8.445 21.376 1.00 0.00 O ATOM 200 O5' DC A 7 -5.687 6.612 20.549 1.00 0.00 O ATOM 201 C5' DC A 7 -6.630 6.028 19.664 1.00 0.00 C ATOM 202 C4' DC A 7 -6.850 4.537 19.946 1.00 0.00 C ATOM 203 O4' DC A 7 -5.644 3.816 19.691 1.00 0.00 O ATOM 204 C3' DC A 7 -7.281 4.225 21.389 1.00 0.00 C ATOM 205 O3' DC A 7 -8.274 3.213 21.341 1.00 0.00 O ATOM 206 C2' DC A 7 -5.962 3.756 21.972 1.00 0.00 C ATOM 207 C1' DC A 7 -5.439 2.944 20.786 1.00 0.00 C ATOM 208 N1 DC A 7 -4.015 2.532 20.915 1.00 0.00 N ATOM 209 C2 DC A 7 -3.668 1.199 20.653 1.00 0.00 C ATOM 210 O2 DC A 7 -4.494 0.378 20.258 1.00 0.00 O ATOM 211 N3 DC A 7 -2.393 0.774 20.848 1.00 0.00 N ATOM 212 C4 DC A 7 -1.494 1.622 21.314 1.00 0.00 C ATOM 213 N4 DC A 7 -0.275 1.165 21.460 1.00 0.00 N ATOM 214 C5 DC A 7 -1.797 2.981 21.610 1.00 0.00 C ATOM 215 C6 DC A 7 -3.064 3.402 21.385 1.00 0.00 C ATOM 0 H5' DC A 7 -6.287 6.154 18.637 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.580 6.555 19.750 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.662 4.233 19.285 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.725 5.034 21.969 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.303 4.583 22.237 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.092 3.151 22.870 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.955 1.989 20.689 1.00 0.00 H new ATOM 0 H41 DC A 7 0.460 1.776 21.816 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.061 0.198 21.218 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.045 3.651 21.999 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.328 4.431 21.577 1.00 0.00 H new ATOM 227 P DG A 8 -9.066 2.686 22.643 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.516 2.869 22.421 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.424 3.211 23.866 1.00 0.00 O ATOM 230 O5' DG A 8 -8.735 1.117 22.549 1.00 0.00 O ATOM 231 C5' DG A 8 -9.189 0.350 21.445 1.00 0.00 C ATOM 232 C4' DG A 8 -8.962 -1.154 21.640 1.00 0.00 C ATOM 233 O4' DG A 8 -7.575 -1.455 21.579 1.00 0.00 O ATOM 234 C3' DG A 8 -9.481 -1.673 22.987 1.00 0.00 C ATOM 235 O3' DG A 8 -9.943 -3.010 22.877 1.00 0.00 O ATOM 236 C2' DG A 8 -8.239 -1.617 23.866 1.00 0.00 C ATOM 237 C1' DG A 8 -7.121 -1.872 22.855 1.00 0.00 C ATOM 238 N9 DG A 8 -5.850 -1.211 23.219 1.00 0.00 N ATOM 239 C8 DG A 8 -5.572 0.116 23.432 1.00 0.00 C ATOM 240 N7 DG A 8 -4.325 0.354 23.742 1.00 0.00 N ATOM 241 C5 DG A 8 -3.733 -0.915 23.755 1.00 0.00 C ATOM 242 C6 DG A 8 -2.389 -1.351 24.028 1.00 0.00 C ATOM 243 O6 DG A 8 -1.379 -0.698 24.286 1.00 0.00 O ATOM 244 N1 DG A 8 -2.248 -2.727 23.995 1.00 0.00 N ATOM 245 C2 DG A 8 -3.256 -3.598 23.715 1.00 0.00 C ATOM 246 N2 DG A 8 -2.968 -4.878 23.704 1.00 0.00 N ATOM 247 N3 DG A 8 -4.507 -3.233 23.446 1.00 0.00 N ATOM 248 C4 DG A 8 -4.679 -1.877 23.475 1.00 0.00 C ATOM 0 H5' DG A 8 -8.673 0.678 20.543 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.252 0.536 21.290 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.517 -1.642 20.838 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.323 -1.097 23.371 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.131 -0.651 24.358 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.260 -2.374 24.650 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.267 -3.317 23.750 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.896 -2.938 22.847 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.317 0.894 23.351 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.326 -3.115 24.194 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.696 -5.563 23.499 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.017 -5.188 23.901 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.972 -7.902 25.783 1.00 0.00 O ATOM 263 C5' DC B 9 4.032 -8.904 26.119 1.00 0.00 C ATOM 264 C4' DC B 9 2.756 -8.742 25.283 1.00 0.00 C ATOM 265 O4' DC B 9 2.305 -7.393 25.364 1.00 0.00 O ATOM 266 C3' DC B 9 2.935 -9.067 23.792 1.00 0.00 C ATOM 267 O3' DC B 9 1.806 -9.837 23.409 1.00 0.00 O ATOM 268 C2' DC B 9 2.947 -7.677 23.161 1.00 0.00 C ATOM 269 C1' DC B 9 1.923 -6.990 24.061 1.00 0.00 C ATOM 270 N1 DC B 9 1.836 -5.501 23.988 1.00 0.00 N ATOM 271 C2 DC B 9 0.579 -4.920 24.196 1.00 0.00 C ATOM 272 O2 DC B 9 -0.430 -5.602 24.366 1.00 0.00 O ATOM 273 N3 DC B 9 0.435 -3.572 24.208 1.00 0.00 N ATOM 274 C4 DC B 9 1.486 -2.808 23.969 1.00 0.00 C ATOM 275 N4 DC B 9 1.274 -1.515 23.985 1.00 0.00 N ATOM 276 C5 DC B 9 2.792 -3.340 23.740 1.00 0.00 C ATOM 277 C6 DC B 9 2.928 -4.691 23.758 1.00 0.00 C ATOM 0 H5' DC B 9 3.789 -8.843 27.180 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.464 -9.890 25.947 1.00 0.00 H new ATOM 0 H4' DC B 9 2.043 -9.453 25.699 1.00 0.00 H new ATOM 0 H3' DC B 9 3.822 -9.635 23.510 1.00 0.00 H new ATOM 0 H2' DC B 9 3.928 -7.205 23.205 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.645 -7.689 22.114 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.499 -7.092 25.499 1.00 0.00 H new ATOM 0 H1' DC B 9 0.924 -7.287 23.742 1.00 0.00 H new ATOM 0 H41 DC B 9 2.044 -0.870 23.808 1.00 0.00 H new ATOM 0 H42 DC B 9 0.339 -1.154 24.174 1.00 0.00 H new ATOM 0 H5 DC B 9 3.638 -2.693 23.560 1.00 0.00 H new ATOM 0 H6 DC B 9 3.899 -5.134 23.591 1.00 0.00 H new ATOM 290 P DG B 10 1.627 -10.461 21.934 1.00 0.00 P ATOM 291 OP1 DG B 10 1.276 -11.889 22.088 1.00 0.00 O ATOM 292 OP2 DG B 10 2.786 -10.064 21.108 1.00 0.00 O ATOM 293 O5' DG B 10 0.326 -9.656 21.421 1.00 0.00 O ATOM 294 C5' DG B 10 -0.957 -9.932 21.968 1.00 0.00 C ATOM 295 C4' DG B 10 -2.107 -9.246 21.212 1.00 0.00 C ATOM 296 O4' DG B 10 -2.119 -7.864 21.544 1.00 0.00 O ATOM 297 C3' DG B 10 -2.022 -9.383 19.687 1.00 0.00 C ATOM 298 O3' DG B 10 -3.326 -9.555 19.143 1.00 0.00 O ATOM 299 C2' DG B 10 -1.421 -8.045 19.303 1.00 0.00 C ATOM 300 C1' DG B 10 -2.035 -7.116 20.348 1.00 0.00 C ATOM 301 N9 DG B 10 -1.204 -5.919 20.579 1.00 0.00 N ATOM 302 C8 DG B 10 0.142 -5.857 20.822 1.00 0.00 C ATOM 303 N7 DG B 10 0.608 -4.646 20.961 1.00 0.00 N ATOM 304 C5 DG B 10 -0.523 -3.837 20.793 1.00 0.00 C ATOM 305 C6 DG B 10 -0.690 -2.410 20.822 1.00 0.00 C ATOM 306 O6 DG B 10 0.142 -1.525 21.008 1.00 0.00 O ATOM 307 N1 DG B 10 -1.998 -2.011 20.613 1.00 0.00 N ATOM 308 C2 DG B 10 -3.034 -2.865 20.387 1.00 0.00 C ATOM 309 N2 DG B 10 -4.216 -2.337 20.185 1.00 0.00 N ATOM 310 N3 DG B 10 -2.915 -4.190 20.330 1.00 0.00 N ATOM 311 C4 DG B 10 -1.636 -4.616 20.553 1.00 0.00 C ATOM 0 H5' DG B 10 -0.976 -9.612 23.010 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.121 -11.010 21.963 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.023 -9.749 21.522 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.446 -10.235 19.327 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.332 -8.056 19.355 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.689 -7.752 18.288 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.009 -6.765 20.006 1.00 0.00 H new ATOM 0 H8 DG B 10 0.765 -6.736 20.893 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.200 -1.011 20.629 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.021 -2.939 20.012 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.331 -1.324 20.201 1.00 0.00 H new ATOM 323 P DT B 11 -3.574 -9.852 17.570 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.614 -10.897 17.469 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.260 -10.051 16.920 1.00 0.00 O ATOM 326 O5' DT B 11 -4.190 -8.461 17.025 1.00 0.00 O ATOM 327 C5' DT B 11 -5.552 -8.133 17.262 1.00 0.00 C ATOM 328 C4' DT B 11 -5.976 -6.809 16.610 1.00 0.00 C ATOM 329 O4' DT B 11 -5.286 -5.767 17.286 1.00 0.00 O ATOM 330 C3' DT B 11 -5.741 -6.734 15.105 1.00 0.00 C ATOM 331 O3' DT B 11 -6.963 -6.360 14.482 1.00 0.00 O ATOM 332 C2' DT B 11 -4.750 -5.596 15.007 1.00 0.00 C ATOM 333 C1' DT B 11 -4.798 -4.852 16.336 1.00 0.00 C ATOM 334 N1 DT B 11 -3.474 -4.326 16.757 1.00 0.00 N ATOM 335 C2 DT B 11 -3.382 -2.963 17.050 1.00 0.00 C ATOM 336 O2 DT B 11 -4.350 -2.209 17.098 1.00 0.00 O ATOM 337 N3 DT B 11 -2.118 -2.470 17.286 1.00 0.00 N ATOM 338 C4 DT B 11 -0.951 -3.207 17.300 1.00 0.00 C ATOM 339 O4 DT B 11 0.101 -2.613 17.515 1.00 0.00 O ATOM 340 C5 DT B 11 -1.125 -4.642 17.061 1.00 0.00 C ATOM 341 C7 DT B 11 0.071 -5.588 17.102 1.00 0.00 C ATOM 342 C6 DT B 11 -2.363 -5.144 16.800 1.00 0.00 C ATOM 0 H5' DT B 11 -5.723 -8.073 18.337 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.184 -8.936 16.883 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.057 -6.715 16.712 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.398 -7.659 14.642 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.746 -5.974 14.812 1.00 0.00 H new ATOM 0 H2'' DT B 11 -5.006 -4.931 14.182 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.440 -3.977 16.239 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.037 -1.469 17.467 1.00 0.00 H new ATOM 0 H71 DT B 11 0.969 -5.053 16.792 1.00 0.00 H new ATOM 0 H72 DT B 11 0.204 -5.963 18.117 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.104 -6.425 16.426 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.478 -6.203 16.623 1.00 0.00 H new ATOM 355 P DT B 12 -7.195 -6.457 12.885 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.608 -6.827 12.653 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.107 -7.268 12.298 1.00 0.00 O ATOM 358 O5' DT B 12 -6.992 -4.933 12.412 1.00 0.00 O ATOM 359 C5' DT B 12 -7.859 -3.906 12.867 1.00 0.00 C ATOM 360 C4' DT B 12 -7.497 -2.545 12.258 1.00 0.00 C ATOM 361 O4' DT B 12 -6.150 -2.233 12.602 1.00 0.00 O ATOM 362 C3' DT B 12 -7.626 -2.508 10.725 1.00 0.00 C ATOM 363 O3' DT B 12 -8.183 -1.262 10.316 1.00 0.00 O ATOM 364 C2' DT B 12 -6.167 -2.628 10.310 1.00 0.00 C ATOM 365 C1' DT B 12 -5.494 -1.823 11.420 1.00 0.00 C ATOM 366 N1 DT B 12 -4.026 -2.040 11.497 1.00 0.00 N ATOM 367 C2 DT B 12 -3.206 -0.909 11.410 1.00 0.00 C ATOM 368 O2 DT B 12 -3.619 0.234 11.264 1.00 0.00 O ATOM 369 N3 DT B 12 -1.853 -1.097 11.582 1.00 0.00 N ATOM 370 C4 DT B 12 -1.259 -2.279 11.955 1.00 0.00 C ATOM 371 O4 DT B 12 -0.086 -2.265 12.324 1.00 0.00 O ATOM 372 C5 DT B 12 -2.146 -3.437 11.922 1.00 0.00 C ATOM 373 C7 DT B 12 -1.544 -4.801 12.161 1.00 0.00 C ATOM 374 C6 DT B 12 -3.484 -3.296 11.707 1.00 0.00 C ATOM 0 H5' DT B 12 -7.809 -3.843 13.954 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.888 -4.158 12.609 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.203 -1.819 12.662 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.272 -3.272 10.293 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.827 -3.663 10.285 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.981 -2.207 9.322 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.586 -0.752 11.240 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.243 -0.296 11.420 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.287 -5.450 12.625 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.229 -5.231 11.210 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.681 -4.707 12.821 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.123 -4.166 11.700 1.00 0.00 H new ATOM 387 P DG B 13 -8.820 -1.038 8.841 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.289 -0.951 8.982 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.220 -2.019 7.914 1.00 0.00 O ATOM 390 O5' DG B 13 -8.260 0.415 8.419 1.00 0.00 O ATOM 391 C5' DG B 13 -8.750 1.600 9.025 1.00 0.00 C ATOM 392 C4' DG B 13 -7.804 2.796 8.826 1.00 0.00 C ATOM 393 O4' DG B 13 -6.526 2.435 9.341 1.00 0.00 O ATOM 394 C3' DG B 13 -7.615 3.286 7.380 1.00 0.00 C ATOM 395 O3' DG B 13 -7.453 4.701 7.381 1.00 0.00 O ATOM 396 C2' DG B 13 -6.363 2.546 6.986 1.00 0.00 C ATOM 397 C1' DG B 13 -5.582 2.445 8.286 1.00 0.00 C ATOM 398 N9 DG B 13 -4.736 1.233 8.256 1.00 0.00 N ATOM 399 C8 DG B 13 -5.061 -0.064 7.941 1.00 0.00 C ATOM 400 N7 DG B 13 -4.047 -0.888 7.951 1.00 0.00 N ATOM 401 C5 DG B 13 -2.964 -0.070 8.285 1.00 0.00 C ATOM 402 C6 DG B 13 -1.581 -0.368 8.532 1.00 0.00 C ATOM 403 O6 DG B 13 -0.991 -1.447 8.547 1.00 0.00 O ATOM 404 N1 DG B 13 -0.842 0.748 8.867 1.00 0.00 N ATOM 405 C2 DG B 13 -1.348 2.011 8.954 1.00 0.00 C ATOM 406 N2 DG B 13 -0.532 2.993 9.244 1.00 0.00 N ATOM 407 N3 DG B 13 -2.618 2.325 8.733 1.00 0.00 N ATOM 408 C4 DG B 13 -3.380 1.236 8.429 1.00 0.00 C ATOM 0 H5' DG B 13 -8.893 1.427 10.092 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.728 1.841 8.608 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.276 3.627 9.350 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.443 3.101 6.696 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.591 1.561 6.578 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.802 3.085 6.223 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.907 3.289 8.431 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.068 -0.376 7.705 1.00 0.00 H new ATOM 0 H1 DG B 13 0.151 0.619 9.063 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.887 3.947 9.315 1.00 0.00 H new ATOM 0 H22 DG B 13 0.458 2.804 9.399 1.00 0.00 H new ATOM 420 P DT B 14 -7.166 5.570 6.042 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.941 6.825 6.135 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.321 4.691 4.862 1.00 0.00 O ATOM 423 O5' DT B 14 -5.598 5.933 6.189 1.00 0.00 O ATOM 424 C5' DT B 14 -5.152 6.783 7.237 1.00 0.00 C ATOM 425 C4' DT B 14 -3.645 7.079 7.203 1.00 0.00 C ATOM 426 O4' DT B 14 -2.912 5.867 7.329 1.00 0.00 O ATOM 427 C3' DT B 14 -3.158 7.795 5.936 1.00 0.00 C ATOM 428 O3' DT B 14 -2.176 8.754 6.307 1.00 0.00 O ATOM 429 C2' DT B 14 -2.580 6.652 5.124 1.00 0.00 C ATOM 430 C1' DT B 14 -2.030 5.746 6.227 1.00 0.00 C ATOM 431 N1 DT B 14 -1.937 4.320 5.828 1.00 0.00 N ATOM 432 C2 DT B 14 -0.721 3.659 6.027 1.00 0.00 C ATOM 433 O2 DT B 14 0.297 4.211 6.431 1.00 0.00 O ATOM 434 N3 DT B 14 -0.695 2.315 5.735 1.00 0.00 N ATOM 435 C4 DT B 14 -1.745 1.581 5.225 1.00 0.00 C ATOM 436 O4 DT B 14 -1.567 0.388 4.999 1.00 0.00 O ATOM 437 C5 DT B 14 -2.980 2.335 5.009 1.00 0.00 C ATOM 438 C7 DT B 14 -4.214 1.643 4.448 1.00 0.00 C ATOM 439 C6 DT B 14 -3.033 3.658 5.315 1.00 0.00 C ATOM 0 H5' DT B 14 -5.400 6.324 8.194 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.698 7.725 7.184 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.472 7.756 8.040 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.918 8.345 5.381 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.338 6.152 4.522 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.800 6.987 4.441 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.013 6.060 6.462 1.00 0.00 H new ATOM 0 H3 DT B 14 0.178 1.818 5.911 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.908 0.824 3.797 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.815 1.250 5.268 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.804 2.359 3.876 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.952 4.202 5.153 1.00 0.00 H new ATOM 452 P DA B 15 -1.472 9.732 5.231 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.067 10.971 5.929 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.337 9.805 4.034 1.00 0.00 O ATOM 455 O5' DA B 15 -0.140 8.908 4.840 1.00 0.00 O ATOM 456 C5' DA B 15 0.965 8.829 5.729 1.00 0.00 C ATOM 457 C4' DA B 15 2.173 8.122 5.099 1.00 0.00 C ATOM 458 O4' DA B 15 1.925 6.723 5.011 1.00 0.00 O ATOM 459 C3' DA B 15 2.503 8.647 3.697 1.00 0.00 C ATOM 460 O3' DA B 15 3.879 8.992 3.634 1.00 0.00 O ATOM 461 C2' DA B 15 2.183 7.435 2.834 1.00 0.00 C ATOM 462 C1' DA B 15 2.425 6.252 3.776 1.00 0.00 C ATOM 463 N9 DA B 15 1.703 5.013 3.385 1.00 0.00 N ATOM 464 C8 DA B 15 0.379 4.887 3.037 1.00 0.00 C ATOM 465 N7 DA B 15 -0.005 3.666 2.786 1.00 0.00 N ATOM 466 C5 DA B 15 1.162 2.918 2.993 1.00 0.00 C ATOM 467 C6 DA B 15 1.466 1.537 2.939 1.00 0.00 C ATOM 468 N6 DA B 15 0.563 0.605 2.694 1.00 0.00 N ATOM 469 N1 DA B 15 2.707 1.091 3.177 1.00 0.00 N ATOM 470 C2 DA B 15 3.634 1.999 3.478 1.00 0.00 C ATOM 471 N3 DA B 15 3.493 3.321 3.581 1.00 0.00 N ATOM 472 C4 DA B 15 2.213 3.727 3.336 1.00 0.00 C ATOM 0 H5' DA B 15 0.665 8.296 6.631 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.255 9.834 6.035 1.00 0.00 H new ATOM 0 H4' DA B 15 3.026 8.327 5.746 1.00 0.00 H new ATOM 0 H3' DA B 15 1.960 9.542 3.394 1.00 0.00 H new ATOM 0 H2' DA B 15 1.154 7.458 2.475 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.826 7.387 1.955 1.00 0.00 H new ATOM 0 H1' DA B 15 3.477 5.965 3.780 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.290 5.732 2.976 1.00 0.00 H new ATOM 0 H61 DA B 15 0.838 -0.377 2.667 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.409 0.867 2.532 1.00 0.00 H new ATOM 0 H2 DA B 15 4.627 1.615 3.662 1.00 0.00 H new ATOM 484 P DC B 16 4.515 9.761 2.361 1.00 0.00 P ATOM 485 OP1 DC B 16 5.594 10.657 2.828 1.00 0.00 O ATOM 486 OP2 DC B 16 3.425 10.283 1.510 1.00 0.00 O ATOM 487 O5' DC B 16 5.196 8.534 1.583 1.00 0.00 O ATOM 488 C5' DC B 16 6.379 7.937 2.079 1.00 0.00 C ATOM 489 C4' DC B 16 6.728 6.687 1.273 1.00 0.00 C ATOM 490 O4' DC B 16 5.831 5.639 1.580 1.00 0.00 O ATOM 491 C3' DC B 16 6.649 6.873 -0.244 1.00 0.00 C ATOM 492 O3' DC B 16 7.839 7.422 -0.782 1.00 0.00 O ATOM 493 C2' DC B 16 6.447 5.437 -0.711 1.00 0.00 C ATOM 494 C1' DC B 16 5.826 4.727 0.501 1.00 0.00 C ATOM 495 N1 DC B 16 4.428 4.287 0.252 1.00 0.00 N ATOM 496 C2 DC B 16 4.157 2.919 0.218 1.00 0.00 C ATOM 497 O2 DC B 16 5.036 2.088 0.436 1.00 0.00 O ATOM 498 N3 DC B 16 2.913 2.477 -0.083 1.00 0.00 N ATOM 499 C4 DC B 16 1.954 3.352 -0.322 1.00 0.00 C ATOM 500 N4 DC B 16 0.779 2.843 -0.598 1.00 0.00 N ATOM 501 C5 DC B 16 2.173 4.765 -0.299 1.00 0.00 C ATOM 502 C6 DC B 16 3.430 5.193 -0.005 1.00 0.00 C ATOM 0 H5' DC B 16 6.248 7.675 3.129 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.202 8.650 2.029 1.00 0.00 H new ATOM 0 H4' DC B 16 7.758 6.464 1.551 1.00 0.00 H new ATOM 0 H3' DC B 16 5.870 7.568 -0.557 1.00 0.00 H new ATOM 0 H2' DC B 16 5.790 5.390 -1.579 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.391 4.976 -1.001 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.744 7.521 -1.752 1.00 0.00 H new ATOM 0 H1' DC B 16 6.412 3.833 0.713 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.010 3.459 -0.794 1.00 0.00 H new ATOM 0 H42 DC B 16 0.653 1.831 -0.617 1.00 0.00 H new ATOM 0 H5 DC B 16 1.375 5.462 -0.506 1.00 0.00 H new ATOM 0 H6 DC B 16 3.644 6.251 0.026 1.00 0.00 H new TER 515 DC B 16