USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.73! (180deg=-1.73!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.62! (180deg=-1.62!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.449 -8.713 -2.084 1.00 0.00 O ATOM 2 C5' DC A 1 4.149 -9.187 -0.789 1.00 0.00 C ATOM 3 C4' DC A 1 4.336 -8.067 0.240 1.00 0.00 C ATOM 4 O4' DC A 1 3.385 -7.029 0.032 1.00 0.00 O ATOM 5 C3' DC A 1 4.066 -8.542 1.676 1.00 0.00 C ATOM 6 O3' DC A 1 5.119 -9.162 2.410 1.00 0.00 O ATOM 7 C2' DC A 1 3.493 -7.279 2.365 1.00 0.00 C ATOM 8 C1' DC A 1 3.330 -6.260 1.221 1.00 0.00 C ATOM 9 N1 DC A 1 2.111 -5.409 1.329 1.00 0.00 N ATOM 10 C2 DC A 1 2.191 -4.010 1.333 1.00 0.00 C ATOM 11 O2 DC A 1 3.266 -3.423 1.239 1.00 0.00 O ATOM 12 N3 DC A 1 1.033 -3.291 1.446 1.00 0.00 N ATOM 13 C4 DC A 1 -0.158 -3.904 1.555 1.00 0.00 C ATOM 14 N4 DC A 1 -1.266 -3.165 1.681 1.00 0.00 N ATOM 15 C5 DC A 1 -0.262 -5.334 1.507 1.00 0.00 C ATOM 16 C6 DC A 1 0.897 -6.021 1.390 1.00 0.00 C ATOM 0 H5' DC A 1 4.796 -10.029 -0.543 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.123 -9.553 -0.756 1.00 0.00 H new ATOM 0 H4' DC A 1 5.367 -7.736 0.115 1.00 0.00 H new ATOM 0 H3' DC A 1 3.391 -9.397 1.645 1.00 0.00 H new ATOM 0 H2' DC A 1 2.539 -7.489 2.849 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.167 -6.906 3.136 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.328 -9.437 -2.733 1.00 0.00 H new ATOM 0 H1' DC A 1 4.124 -5.513 1.249 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.175 -3.619 1.764 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.201 -2.147 1.694 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.217 -5.836 1.561 1.00 0.00 H new ATOM 0 H6 DC A 1 0.858 -7.099 1.343 1.00 0.00 H new ATOM 29 P DG A 2 6.647 -8.619 2.548 1.00 0.00 P ATOM 30 OP1 DG A 2 7.273 -8.653 1.207 1.00 0.00 O ATOM 31 OP2 DG A 2 7.273 -9.387 3.646 1.00 0.00 O ATOM 32 O5' DG A 2 6.563 -7.078 3.041 1.00 0.00 O ATOM 33 C5' DG A 2 7.106 -6.029 2.261 1.00 0.00 C ATOM 34 C4' DG A 2 7.105 -4.684 2.969 1.00 0.00 C ATOM 35 O4' DG A 2 5.796 -4.144 2.920 1.00 0.00 O ATOM 36 C3' DG A 2 7.570 -4.720 4.435 1.00 0.00 C ATOM 37 O3' DG A 2 8.533 -3.696 4.577 1.00 0.00 O ATOM 38 C2' DG A 2 6.225 -4.504 5.125 1.00 0.00 C ATOM 39 C1' DG A 2 5.566 -3.532 4.159 1.00 0.00 C ATOM 40 N9 DG A 2 4.119 -3.359 4.418 1.00 0.00 N ATOM 41 C8 DG A 2 3.223 -4.308 4.837 1.00 0.00 C ATOM 42 N7 DG A 2 1.982 -3.918 4.833 1.00 0.00 N ATOM 43 C5 DG A 2 2.059 -2.592 4.427 1.00 0.00 C ATOM 44 C6 DG A 2 1.017 -1.638 4.240 1.00 0.00 C ATOM 45 O6 DG A 2 -0.193 -1.837 4.272 1.00 0.00 O ATOM 46 N1 DG A 2 1.504 -0.357 3.996 1.00 0.00 N ATOM 47 C2 DG A 2 2.844 -0.053 3.841 1.00 0.00 C ATOM 48 N2 DG A 2 3.153 1.230 3.622 1.00 0.00 N ATOM 49 N3 DG A 2 3.822 -0.975 3.909 1.00 0.00 N ATOM 50 C4 DG A 2 3.367 -2.221 4.221 1.00 0.00 C ATOM 0 H5' DG A 2 6.537 -5.944 1.335 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.129 -6.284 1.985 1.00 0.00 H new ATOM 0 H4' DG A 2 7.831 -4.067 2.440 1.00 0.00 H new ATOM 0 H3' DG A 2 8.068 -5.604 4.833 1.00 0.00 H new ATOM 0 H2' DG A 2 5.660 -5.430 5.230 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.335 -4.083 6.124 1.00 0.00 H new ATOM 0 H1' DG A 2 5.966 -2.521 4.237 1.00 0.00 H new ATOM 0 H8 DG A 2 3.523 -5.299 5.145 1.00 0.00 H new ATOM 0 H1 DG A 2 0.830 0.405 3.927 1.00 0.00 H new ATOM 0 H21 DG A 2 4.127 1.506 3.501 1.00 0.00 H new ATOM 0 H22 DG A 2 2.414 1.932 3.576 1.00 0.00 H new ATOM 62 P DC A 3 9.055 -3.156 5.995 1.00 0.00 P ATOM 63 OP1 DC A 3 10.499 -2.854 5.884 1.00 0.00 O ATOM 64 OP2 DC A 3 8.560 -4.031 7.081 1.00 0.00 O ATOM 65 O5' DC A 3 8.237 -1.773 6.020 1.00 0.00 O ATOM 66 C5' DC A 3 8.506 -0.762 5.065 1.00 0.00 C ATOM 67 C4' DC A 3 7.771 0.522 5.434 1.00 0.00 C ATOM 68 O4' DC A 3 6.376 0.319 5.334 1.00 0.00 O ATOM 69 C3' DC A 3 8.106 0.984 6.859 1.00 0.00 C ATOM 70 O3' DC A 3 8.614 2.305 6.772 1.00 0.00 O ATOM 71 C2' DC A 3 6.782 0.840 7.587 1.00 0.00 C ATOM 72 C1' DC A 3 5.749 0.871 6.472 1.00 0.00 C ATOM 73 N1 DC A 3 4.602 0.007 6.847 1.00 0.00 N ATOM 74 C2 DC A 3 3.332 0.557 7.009 1.00 0.00 C ATOM 75 O2 DC A 3 3.121 1.755 6.840 1.00 0.00 O ATOM 76 N3 DC A 3 2.312 -0.276 7.361 1.00 0.00 N ATOM 77 C4 DC A 3 2.515 -1.582 7.588 1.00 0.00 C ATOM 78 N4 DC A 3 1.470 -2.362 7.874 1.00 0.00 N ATOM 79 C5 DC A 3 3.824 -2.150 7.486 1.00 0.00 C ATOM 80 C6 DC A 3 4.816 -1.329 7.086 1.00 0.00 C ATOM 0 H5' DC A 3 8.195 -1.095 4.075 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.579 -0.574 5.016 1.00 0.00 H new ATOM 0 H4' DC A 3 8.095 1.296 4.738 1.00 0.00 H new ATOM 0 H3' DC A 3 8.873 0.423 7.393 1.00 0.00 H new ATOM 0 H2' DC A 3 6.735 -0.092 8.150 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.627 1.651 8.299 1.00 0.00 H new ATOM 0 H1' DC A 3 5.391 1.884 6.288 1.00 0.00 H new ATOM 0 H41 DC A 3 1.609 -3.357 8.049 1.00 0.00 H new ATOM 0 H42 DC A 3 0.532 -1.963 7.918 1.00 0.00 H new ATOM 0 H5 DC A 3 4.009 -3.188 7.719 1.00 0.00 H new ATOM 0 H6 DC A 3 5.808 -1.733 6.949 1.00 0.00 H new ATOM 92 P DT A 4 8.995 3.189 8.062 1.00 0.00 P ATOM 93 OP1 DT A 4 9.836 4.322 7.615 1.00 0.00 O ATOM 94 OP2 DT A 4 9.476 2.287 9.132 1.00 0.00 O ATOM 95 O5' DT A 4 7.556 3.767 8.493 1.00 0.00 O ATOM 96 C5' DT A 4 6.767 4.537 7.605 1.00 0.00 C ATOM 97 C4' DT A 4 5.498 5.012 8.320 1.00 0.00 C ATOM 98 O4' DT A 4 4.621 3.918 8.520 1.00 0.00 O ATOM 99 C3' DT A 4 5.787 5.655 9.682 1.00 0.00 C ATOM 100 O3' DT A 4 5.343 7.000 9.691 1.00 0.00 O ATOM 101 C2' DT A 4 5.048 4.739 10.660 1.00 0.00 C ATOM 102 C1' DT A 4 4.009 4.038 9.787 1.00 0.00 C ATOM 103 N1 DT A 4 3.610 2.677 10.258 1.00 0.00 N ATOM 104 C2 DT A 4 2.251 2.367 10.320 1.00 0.00 C ATOM 105 O2 DT A 4 1.361 3.211 10.256 1.00 0.00 O ATOM 106 N3 DT A 4 1.931 1.024 10.461 1.00 0.00 N ATOM 107 C4 DT A 4 2.825 -0.033 10.549 1.00 0.00 C ATOM 108 O4 DT A 4 2.399 -1.181 10.664 1.00 0.00 O ATOM 109 C5 DT A 4 4.224 0.365 10.493 1.00 0.00 C ATOM 110 C7 DT A 4 5.324 -0.690 10.492 1.00 0.00 C ATOM 111 C6 DT A 4 4.554 1.677 10.367 1.00 0.00 C ATOM 0 H5' DT A 4 6.502 3.943 6.730 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.337 5.395 7.247 1.00 0.00 H new ATOM 0 H4' DT A 4 5.045 5.768 7.679 1.00 0.00 H new ATOM 0 H3' DT A 4 6.843 5.728 9.942 1.00 0.00 H new ATOM 0 H2' DT A 4 5.725 4.024 11.128 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.578 5.307 11.463 1.00 0.00 H new ATOM 0 H1' DT A 4 3.088 4.622 9.798 1.00 0.00 H new ATOM 0 H3 DT A 4 0.939 0.791 10.504 1.00 0.00 H new ATOM 0 H71 DT A 4 6.186 -0.316 9.939 1.00 0.00 H new ATOM 0 H72 DT A 4 5.618 -0.910 11.518 1.00 0.00 H new ATOM 0 H73 DT A 4 4.955 -1.600 10.018 1.00 0.00 H new ATOM 0 H6 DT A 4 5.599 1.948 10.352 1.00 0.00 H new ATOM 124 P DA A 5 5.484 7.951 10.992 1.00 0.00 P ATOM 125 OP1 DA A 5 5.632 9.350 10.535 1.00 0.00 O ATOM 126 OP2 DA A 5 6.482 7.364 11.914 1.00 0.00 O ATOM 127 O5' DA A 5 4.023 7.781 11.646 1.00 0.00 O ATOM 128 C5' DA A 5 2.886 8.265 10.964 1.00 0.00 C ATOM 129 C4' DA A 5 1.595 7.877 11.663 1.00 0.00 C ATOM 130 O4' DA A 5 1.470 6.476 11.756 1.00 0.00 O ATOM 131 C3' DA A 5 1.477 8.479 13.068 1.00 0.00 C ATOM 132 O3' DA A 5 0.367 9.353 13.018 1.00 0.00 O ATOM 133 C2' DA A 5 1.414 7.245 13.958 1.00 0.00 C ATOM 134 C1' DA A 5 0.906 6.172 13.011 1.00 0.00 C ATOM 135 N9 DA A 5 1.330 4.798 13.355 1.00 0.00 N ATOM 136 C8 DA A 5 2.599 4.305 13.542 1.00 0.00 C ATOM 137 N7 DA A 5 2.662 3.004 13.632 1.00 0.00 N ATOM 138 C5 DA A 5 1.336 2.602 13.502 1.00 0.00 C ATOM 139 C6 DA A 5 0.699 1.342 13.494 1.00 0.00 C ATOM 140 N6 DA A 5 1.362 0.183 13.601 1.00 0.00 N ATOM 141 N1 DA A 5 -0.641 1.309 13.365 1.00 0.00 N ATOM 142 C2 DA A 5 -1.308 2.452 13.216 1.00 0.00 C ATOM 143 N3 DA A 5 -0.826 3.685 13.161 1.00 0.00 N ATOM 144 C4 DA A 5 0.522 3.692 13.324 1.00 0.00 C ATOM 0 H5' DA A 5 2.879 7.873 9.947 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.944 9.351 10.887 1.00 0.00 H new ATOM 0 H4' DA A 5 0.791 8.283 11.050 1.00 0.00 H new ATOM 0 H3' DA A 5 2.279 9.104 13.461 1.00 0.00 H new ATOM 0 H2' DA A 5 2.392 6.992 14.368 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.741 7.390 14.803 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.183 6.179 13.048 1.00 0.00 H new ATOM 0 H8 DA A 5 3.470 4.940 13.609 1.00 0.00 H new ATOM 0 H61 DA A 5 0.851 -0.700 13.590 1.00 0.00 H new ATOM 0 H62 DA A 5 2.378 0.183 13.694 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.381 2.362 13.129 1.00 0.00 H new ATOM 156 P DG A 6 -0.175 10.155 14.292 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.911 11.353 13.830 1.00 0.00 O ATOM 158 OP2 DG A 6 0.905 10.279 15.296 1.00 0.00 O ATOM 159 O5' DG A 6 -1.226 9.061 14.789 1.00 0.00 O ATOM 160 C5' DG A 6 -2.361 8.724 14.014 1.00 0.00 C ATOM 161 C4' DG A 6 -3.076 7.559 14.694 1.00 0.00 C ATOM 162 O4' DG A 6 -2.321 6.354 14.540 1.00 0.00 O ATOM 163 C3' DG A 6 -3.218 7.848 16.199 1.00 0.00 C ATOM 164 O3' DG A 6 -4.549 7.697 16.649 1.00 0.00 O ATOM 165 C2' DG A 6 -2.252 6.815 16.746 1.00 0.00 C ATOM 166 C1' DG A 6 -2.395 5.671 15.773 1.00 0.00 C ATOM 167 N9 DG A 6 -1.363 4.643 16.048 1.00 0.00 N ATOM 168 C8 DG A 6 -0.025 4.796 16.331 1.00 0.00 C ATOM 169 N7 DG A 6 0.604 3.683 16.576 1.00 0.00 N ATOM 170 C5 DG A 6 -0.391 2.721 16.491 1.00 0.00 C ATOM 171 C6 DG A 6 -0.311 1.312 16.677 1.00 0.00 C ATOM 172 O6 DG A 6 0.698 0.639 16.863 1.00 0.00 O ATOM 173 N1 DG A 6 -1.560 0.701 16.628 1.00 0.00 N ATOM 174 C2 DG A 6 -2.749 1.361 16.386 1.00 0.00 C ATOM 175 N2 DG A 6 -3.869 0.631 16.414 1.00 0.00 N ATOM 176 N3 DG A 6 -2.818 2.681 16.162 1.00 0.00 N ATOM 177 C4 DG A 6 -1.608 3.303 16.230 1.00 0.00 C ATOM 0 H5' DG A 6 -2.062 8.448 13.003 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.029 9.581 13.926 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.057 7.441 14.233 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.996 8.868 16.511 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.230 7.194 16.777 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.512 6.516 17.762 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.308 5.077 15.820 1.00 0.00 H new ATOM 0 H8 DG A 6 0.463 5.759 16.348 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.601 -0.307 16.782 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.771 1.074 16.241 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.821 -0.369 16.608 1.00 0.00 H new ATOM 189 P DC A 7 -4.961 7.885 18.206 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.249 8.612 18.263 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.798 8.385 18.974 1.00 0.00 O ATOM 192 O5' DC A 7 -5.222 6.348 18.615 1.00 0.00 O ATOM 193 C5' DC A 7 -6.136 5.594 17.851 1.00 0.00 C ATOM 194 C4' DC A 7 -6.460 4.209 18.400 1.00 0.00 C ATOM 195 O4' DC A 7 -5.366 3.341 18.191 1.00 0.00 O ATOM 196 C3' DC A 7 -6.854 4.212 19.878 1.00 0.00 C ATOM 197 O3' DC A 7 -8.042 3.452 20.031 1.00 0.00 O ATOM 198 C2' DC A 7 -5.620 3.594 20.500 1.00 0.00 C ATOM 199 C1' DC A 7 -5.053 2.700 19.404 1.00 0.00 C ATOM 200 N1 DC A 7 -3.574 2.629 19.520 1.00 0.00 N ATOM 201 C2 DC A 7 -2.932 1.413 19.773 1.00 0.00 C ATOM 202 O2 DC A 7 -3.562 0.366 19.901 1.00 0.00 O ATOM 203 N3 DC A 7 -1.570 1.411 19.875 1.00 0.00 N ATOM 204 C4 DC A 7 -0.861 2.545 19.751 1.00 0.00 C ATOM 205 N4 DC A 7 0.471 2.493 19.818 1.00 0.00 N ATOM 206 C5 DC A 7 -1.506 3.796 19.478 1.00 0.00 C ATOM 207 C6 DC A 7 -2.846 3.782 19.357 1.00 0.00 C ATOM 0 H5' DC A 7 -5.736 5.482 16.843 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.064 6.159 17.765 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.333 3.855 17.852 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.093 5.173 20.333 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.902 4.357 20.802 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.869 3.020 21.392 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.460 1.691 19.470 1.00 0.00 H new ATOM 0 H41 DC A 7 1.020 3.348 19.725 1.00 0.00 H new ATOM 0 H42 DC A 7 0.940 1.599 19.962 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.941 4.710 19.374 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.363 4.702 19.126 1.00 0.00 H new ATOM 219 P DG A 8 -8.815 3.313 21.442 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.164 2.764 21.178 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.670 4.579 22.193 1.00 0.00 O ATOM 222 O5' DG A 8 -7.952 2.181 22.191 1.00 0.00 O ATOM 223 C5' DG A 8 -7.836 0.877 21.659 1.00 0.00 C ATOM 224 C4' DG A 8 -6.908 0.018 22.524 1.00 0.00 C ATOM 225 O4' DG A 8 -5.558 0.315 22.204 1.00 0.00 O ATOM 226 C3' DG A 8 -7.075 0.226 24.041 1.00 0.00 C ATOM 227 O3' DG A 8 -7.187 -1.011 24.714 1.00 0.00 O ATOM 228 C2' DG A 8 -5.769 0.911 24.425 1.00 0.00 C ATOM 229 C1' DG A 8 -4.826 0.288 23.407 1.00 0.00 C ATOM 230 N9 DG A 8 -3.534 0.996 23.281 1.00 0.00 N ATOM 231 C8 DG A 8 -3.276 2.343 23.230 1.00 0.00 C ATOM 232 N7 DG A 8 -2.012 2.633 23.073 1.00 0.00 N ATOM 233 C5 DG A 8 -1.384 1.391 23.021 1.00 0.00 C ATOM 234 C6 DG A 8 -0.004 1.053 22.855 1.00 0.00 C ATOM 235 O6 DG A 8 0.952 1.812 22.718 1.00 0.00 O ATOM 236 N1 DG A 8 0.214 -0.324 22.859 1.00 0.00 N ATOM 237 C2 DG A 8 -0.781 -1.270 23.017 1.00 0.00 C ATOM 238 N2 DG A 8 -0.412 -2.554 23.013 1.00 0.00 N ATOM 239 N3 DG A 8 -2.077 -0.956 23.158 1.00 0.00 N ATOM 240 C4 DG A 8 -2.311 0.385 23.150 1.00 0.00 C ATOM 0 H5' DG A 8 -7.449 0.928 20.641 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.821 0.413 21.603 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.179 -1.014 22.302 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.970 0.792 24.300 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.825 1.995 24.330 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.473 0.696 25.452 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.290 -0.852 25.676 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.531 -0.718 23.706 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.047 3.094 23.312 1.00 0.00 H new ATOM 0 H1 DG A 8 1.171 -0.655 22.737 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.113 -3.286 23.127 1.00 0.00 H new ATOM 0 H22 DG A 8 0.571 -2.802 22.896 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.857 -6.792 25.680 1.00 0.00 O ATOM 255 C5' DC B 1 7.333 -6.690 24.355 1.00 0.00 C ATOM 256 C4' DC B 1 6.160 -6.500 23.387 1.00 0.00 C ATOM 257 O4' DC B 1 5.517 -5.252 23.612 1.00 0.00 O ATOM 258 C3' DC B 1 6.617 -6.428 21.922 1.00 0.00 C ATOM 259 O3' DC B 1 6.805 -7.642 21.198 1.00 0.00 O ATOM 260 C2' DC B 1 5.588 -5.469 21.277 1.00 0.00 C ATOM 261 C1' DC B 1 4.746 -4.962 22.460 1.00 0.00 C ATOM 262 N1 DC B 1 4.356 -3.528 22.343 1.00 0.00 N ATOM 263 C2 DC B 1 3.013 -3.133 22.349 1.00 0.00 C ATOM 264 O2 DC B 1 2.101 -3.947 22.475 1.00 0.00 O ATOM 265 N3 DC B 1 2.725 -1.803 22.212 1.00 0.00 N ATOM 266 C4 DC B 1 3.701 -0.892 22.064 1.00 0.00 C ATOM 267 N4 DC B 1 3.375 0.396 21.907 1.00 0.00 N ATOM 268 C5 DC B 1 5.084 -1.275 22.096 1.00 0.00 C ATOM 269 C6 DC B 1 5.342 -2.595 22.241 1.00 0.00 C ATOM 0 H5' DC B 1 7.891 -7.588 24.091 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.023 -5.850 24.272 1.00 0.00 H new ATOM 0 H4' DC B 1 5.508 -7.355 23.562 1.00 0.00 H new ATOM 0 H3' DC B 1 7.650 -6.082 21.886 1.00 0.00 H new ATOM 0 H2' DC B 1 6.081 -4.647 20.759 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.971 -5.985 20.542 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.613 -6.915 26.291 1.00 0.00 H new ATOM 0 H1' DC B 1 3.778 -5.461 22.500 1.00 0.00 H new ATOM 0 H41 DC B 1 4.107 1.097 21.794 1.00 0.00 H new ATOM 0 H42 DC B 1 2.394 0.677 21.901 1.00 0.00 H new ATOM 0 H5 DC B 1 5.877 -0.547 22.009 1.00 0.00 H new ATOM 0 H6 DC B 1 6.371 -2.922 22.277 1.00 0.00 H new ATOM 282 P DG B 2 5.764 -8.891 21.125 1.00 0.00 P ATOM 283 OP1 DG B 2 5.628 -9.463 22.483 1.00 0.00 O ATOM 284 OP2 DG B 2 6.227 -9.766 20.026 1.00 0.00 O ATOM 285 O5' DG B 2 4.333 -8.286 20.671 1.00 0.00 O ATOM 286 C5' DG B 2 3.182 -8.435 21.480 1.00 0.00 C ATOM 287 C4' DG B 2 1.899 -7.993 20.793 1.00 0.00 C ATOM 288 O4' DG B 2 1.811 -6.580 20.839 1.00 0.00 O ATOM 289 C3' DG B 2 1.766 -8.450 19.331 1.00 0.00 C ATOM 290 O3' DG B 2 0.477 -9.017 19.205 1.00 0.00 O ATOM 291 C2' DG B 2 2.001 -7.108 18.638 1.00 0.00 C ATOM 292 C1' DG B 2 1.292 -6.171 19.602 1.00 0.00 C ATOM 293 N9 DG B 2 1.589 -4.746 19.336 1.00 0.00 N ATOM 294 C8 DG B 2 2.768 -4.197 18.906 1.00 0.00 C ATOM 295 N7 DG B 2 2.789 -2.895 18.905 1.00 0.00 N ATOM 296 C5 DG B 2 1.511 -2.548 19.325 1.00 0.00 C ATOM 297 C6 DG B 2 0.933 -1.259 19.519 1.00 0.00 C ATOM 298 O6 DG B 2 1.496 -0.170 19.478 1.00 0.00 O ATOM 299 N1 DG B 2 -0.432 -1.322 19.782 1.00 0.00 N ATOM 300 C2 DG B 2 -1.137 -2.499 19.954 1.00 0.00 C ATOM 301 N2 DG B 2 -2.447 -2.393 20.200 1.00 0.00 N ATOM 302 N3 DG B 2 -0.569 -3.715 19.878 1.00 0.00 N ATOM 303 C4 DG B 2 0.750 -3.673 19.544 1.00 0.00 C ATOM 0 H5' DG B 2 3.313 -7.857 22.395 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.086 -9.480 21.774 1.00 0.00 H new ATOM 0 H4' DG B 2 1.086 -8.472 21.339 1.00 0.00 H new ATOM 0 H3' DG B 2 2.429 -9.215 18.927 1.00 0.00 H new ATOM 0 H2' DG B 2 3.061 -6.874 18.536 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.570 -7.077 17.637 1.00 0.00 H new ATOM 0 H1' DG B 2 0.206 -6.228 19.531 1.00 0.00 H new ATOM 0 H8 DG B 2 3.611 -4.795 18.593 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.945 -0.443 19.852 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.010 -3.233 20.334 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.883 -1.472 20.253 1.00 0.00 H new ATOM 315 P DC B 3 -0.233 -9.319 17.798 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.999 -10.579 17.916 1.00 0.00 O ATOM 317 OP2 DC B 3 0.739 -9.142 16.697 1.00 0.00 O ATOM 318 O5' DC B 3 -1.263 -8.085 17.792 1.00 0.00 O ATOM 319 C5' DC B 3 -2.307 -8.010 18.747 1.00 0.00 C ATOM 320 C4' DC B 3 -3.257 -6.869 18.386 1.00 0.00 C ATOM 321 O4' DC B 3 -2.584 -5.629 18.451 1.00 0.00 O ATOM 322 C3' DC B 3 -3.864 -7.033 16.985 1.00 0.00 C ATOM 323 O3' DC B 3 -5.277 -7.040 17.111 1.00 0.00 O ATOM 324 C2' DC B 3 -3.301 -5.844 16.228 1.00 0.00 C ATOM 325 C1' DC B 3 -2.942 -4.854 17.326 1.00 0.00 C ATOM 326 N1 DC B 3 -1.758 -4.068 16.905 1.00 0.00 N ATOM 327 C2 DC B 3 -1.840 -2.685 16.768 1.00 0.00 C ATOM 328 O2 DC B 3 -2.889 -2.076 16.958 1.00 0.00 O ATOM 329 N3 DC B 3 -0.710 -2.010 16.413 1.00 0.00 N ATOM 330 C4 DC B 3 0.445 -2.646 16.169 1.00 0.00 C ATOM 331 N4 DC B 3 1.533 -1.926 15.884 1.00 0.00 N ATOM 332 C5 DC B 3 0.529 -4.074 16.249 1.00 0.00 C ATOM 333 C6 DC B 3 -0.583 -4.725 16.642 1.00 0.00 C ATOM 0 H5' DC B 3 -1.892 -7.849 19.742 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.852 -8.953 18.778 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.068 -6.897 19.113 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.624 -7.958 16.460 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.427 -6.122 15.638 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.033 -5.427 15.536 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.769 -4.176 17.538 1.00 0.00 H new ATOM 0 H41 DC B 3 2.419 -2.394 15.696 1.00 0.00 H new ATOM 0 H42 DC B 3 1.477 -0.908 15.854 1.00 0.00 H new ATOM 0 H5 DC B 3 1.439 -4.603 16.006 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.548 -5.799 16.754 1.00 0.00 H new ATOM 345 P DT B 4 -6.274 -7.128 15.845 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.619 -7.489 16.344 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.632 -7.949 14.795 1.00 0.00 O ATOM 348 O5' DT B 4 -6.319 -5.600 15.335 1.00 0.00 O ATOM 349 C5' DT B 4 -6.735 -4.547 16.187 1.00 0.00 C ATOM 350 C4' DT B 4 -6.730 -3.208 15.444 1.00 0.00 C ATOM 351 O4' DT B 4 -5.393 -2.781 15.258 1.00 0.00 O ATOM 352 C3' DT B 4 -7.418 -3.277 14.077 1.00 0.00 C ATOM 353 O3' DT B 4 -8.510 -2.379 14.005 1.00 0.00 O ATOM 354 C2' DT B 4 -6.283 -2.940 13.110 1.00 0.00 C ATOM 355 C1' DT B 4 -5.270 -2.200 13.978 1.00 0.00 C ATOM 356 N1 DT B 4 -3.858 -2.336 13.521 1.00 0.00 N ATOM 357 C2 DT B 4 -3.079 -1.185 13.419 1.00 0.00 C ATOM 358 O2 DT B 4 -3.544 -0.048 13.459 1.00 0.00 O ATOM 359 N3 DT B 4 -1.715 -1.378 13.267 1.00 0.00 N ATOM 360 C4 DT B 4 -1.058 -2.598 13.194 1.00 0.00 C ATOM 361 O4 DT B 4 0.164 -2.626 13.070 1.00 0.00 O ATOM 362 C5 DT B 4 -1.937 -3.753 13.278 1.00 0.00 C ATOM 363 C7 DT B 4 -1.351 -5.159 13.256 1.00 0.00 C ATOM 364 C6 DT B 4 -3.276 -3.582 13.426 1.00 0.00 C ATOM 0 H5' DT B 4 -6.073 -4.490 17.051 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.736 -4.754 16.565 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.291 -2.503 16.058 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.869 -4.243 13.853 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.852 -3.840 12.671 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.632 -2.319 12.285 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.482 -1.131 13.944 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.137 -0.540 13.202 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.991 -5.829 13.830 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.288 -5.511 12.226 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.354 -5.145 13.696 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.909 -4.456 13.471 1.00 0.00 H new ATOM 377 P DA B 5 -9.397 -2.219 12.662 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.750 -1.759 13.047 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.238 -3.435 11.833 1.00 0.00 O ATOM 380 O5' DA B 5 -8.629 -1.003 11.932 1.00 0.00 O ATOM 381 C5' DA B 5 -8.703 0.299 12.467 1.00 0.00 C ATOM 382 C4' DA B 5 -7.841 1.315 11.723 1.00 0.00 C ATOM 383 O4' DA B 5 -6.489 0.894 11.741 1.00 0.00 O ATOM 384 C3' DA B 5 -8.278 1.452 10.257 1.00 0.00 C ATOM 385 O3' DA B 5 -8.087 2.751 9.748 1.00 0.00 O ATOM 386 C2' DA B 5 -7.248 0.593 9.563 1.00 0.00 C ATOM 387 C1' DA B 5 -6.024 0.939 10.412 1.00 0.00 C ATOM 388 N9 DA B 5 -4.902 0.004 10.227 1.00 0.00 N ATOM 389 C8 DA B 5 -4.932 -1.353 10.071 1.00 0.00 C ATOM 390 N7 DA B 5 -3.750 -1.912 10.025 1.00 0.00 N ATOM 391 C5 DA B 5 -2.870 -0.836 10.139 1.00 0.00 C ATOM 392 C6 DA B 5 -1.460 -0.714 10.158 1.00 0.00 C ATOM 393 N6 DA B 5 -0.619 -1.753 10.099 1.00 0.00 N ATOM 394 N1 DA B 5 -0.929 0.520 10.249 1.00 0.00 N ATOM 395 C2 DA B 5 -1.740 1.570 10.342 1.00 0.00 C ATOM 396 N3 DA B 5 -3.064 1.589 10.375 1.00 0.00 N ATOM 397 C4 DA B 5 -3.574 0.336 10.262 1.00 0.00 C ATOM 0 H5' DA B 5 -8.396 0.271 13.513 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.741 0.632 12.448 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.957 2.277 12.223 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.331 1.199 10.130 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.495 -0.468 9.596 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.119 0.858 8.513 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.623 1.911 10.126 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.851 -1.915 9.993 1.00 0.00 H new ATOM 0 H61 DA B 5 0.389 -1.595 10.117 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.986 -2.703 10.036 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.255 2.534 10.398 1.00 0.00 H new ATOM 409 P DG B 6 -9.157 3.924 9.942 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.321 4.211 11.385 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.338 3.636 9.099 1.00 0.00 O ATOM 412 O5' DG B 6 -8.316 5.113 9.267 1.00 0.00 O ATOM 413 C5' DG B 6 -7.040 5.486 9.755 1.00 0.00 C ATOM 414 C4' DG B 6 -5.887 5.221 8.768 1.00 0.00 C ATOM 415 O4' DG B 6 -5.156 4.003 8.929 1.00 0.00 O ATOM 416 C3' DG B 6 -6.227 5.319 7.272 1.00 0.00 C ATOM 417 O3' DG B 6 -5.866 6.599 6.779 1.00 0.00 O ATOM 418 C2' DG B 6 -5.475 4.131 6.687 1.00 0.00 C ATOM 419 C1' DG B 6 -4.423 3.812 7.723 1.00 0.00 C ATOM 420 N9 DG B 6 -3.806 2.484 7.475 1.00 0.00 N ATOM 421 C8 DG B 6 -4.384 1.272 7.170 1.00 0.00 C ATOM 422 N7 DG B 6 -3.537 0.303 6.977 1.00 0.00 N ATOM 423 C5 DG B 6 -2.302 0.918 7.111 1.00 0.00 C ATOM 424 C6 DG B 6 -0.994 0.370 6.991 1.00 0.00 C ATOM 425 O6 DG B 6 -0.688 -0.809 6.850 1.00 0.00 O ATOM 426 N1 DG B 6 -0.003 1.345 7.052 1.00 0.00 N ATOM 427 C2 DG B 6 -0.237 2.691 7.255 1.00 0.00 C ATOM 428 N2 DG B 6 0.822 3.505 7.257 1.00 0.00 N ATOM 429 N3 DG B 6 -1.466 3.198 7.426 1.00 0.00 N ATOM 430 C4 DG B 6 -2.454 2.264 7.340 1.00 0.00 C ATOM 0 H5' DG B 6 -6.844 4.944 10.680 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.054 6.547 10.004 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.262 6.062 9.068 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.283 5.255 7.009 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.139 3.283 6.519 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.025 4.379 5.726 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.526 4.431 7.730 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.453 1.137 7.097 1.00 0.00 H new ATOM 0 H1 DG B 6 0.965 1.044 6.939 1.00 0.00 H new ATOM 0 H21 DG B 6 0.695 4.506 7.403 1.00 0.00 H new ATOM 0 H22 DG B 6 1.757 3.125 7.112 1.00 0.00 H new ATOM 442 P DC B 7 -5.822 6.973 5.205 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.128 8.413 5.062 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.599 5.973 4.438 1.00 0.00 O ATOM 445 O5' DC B 7 -4.251 6.757 4.896 1.00 0.00 O ATOM 446 C5' DC B 7 -3.287 7.388 5.716 1.00 0.00 C ATOM 447 C4' DC B 7 -1.852 7.280 5.197 1.00 0.00 C ATOM 448 O4' DC B 7 -1.357 5.965 5.384 1.00 0.00 O ATOM 449 C3' DC B 7 -1.704 7.698 3.737 1.00 0.00 C ATOM 450 O3' DC B 7 -0.578 8.553 3.609 1.00 0.00 O ATOM 451 C2' DC B 7 -1.536 6.338 3.107 1.00 0.00 C ATOM 452 C1' DC B 7 -0.825 5.500 4.165 1.00 0.00 C ATOM 453 N1 DC B 7 -1.170 4.061 4.013 1.00 0.00 N ATOM 454 C2 DC B 7 -0.182 3.080 3.882 1.00 0.00 C ATOM 455 O2 DC B 7 1.011 3.368 3.826 1.00 0.00 O ATOM 456 N3 DC B 7 -0.577 1.771 3.818 1.00 0.00 N ATOM 457 C4 DC B 7 -1.877 1.433 3.881 1.00 0.00 C ATOM 458 N4 DC B 7 -2.221 0.144 3.837 1.00 0.00 N ATOM 459 C5 DC B 7 -2.897 2.427 4.035 1.00 0.00 C ATOM 460 C6 DC B 7 -2.489 3.707 4.097 1.00 0.00 C ATOM 0 H5' DC B 7 -3.334 6.952 6.714 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.546 8.442 5.817 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.259 7.983 5.782 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.513 8.273 3.287 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.500 5.904 2.841 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.950 6.397 2.190 1.00 0.00 H new ATOM 0 H1' DC B 7 0.259 5.589 4.095 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.204 -0.123 3.884 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.501 -0.574 3.756 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.942 2.162 4.098 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.230 4.484 4.217 1.00 0.00 H new ATOM 472 P DG B 8 -0.145 9.230 2.207 1.00 0.00 P ATOM 473 OP1 DG B 8 0.771 10.355 2.499 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.360 9.463 1.395 1.00 0.00 O ATOM 475 O5' DG B 8 0.709 8.057 1.510 1.00 0.00 O ATOM 476 C5' DG B 8 1.910 7.583 2.087 1.00 0.00 C ATOM 477 C4' DG B 8 2.484 6.427 1.263 1.00 0.00 C ATOM 478 O4' DG B 8 1.742 5.248 1.530 1.00 0.00 O ATOM 479 C3' DG B 8 2.449 6.662 -0.258 1.00 0.00 C ATOM 480 O3' DG B 8 3.695 6.354 -0.851 1.00 0.00 O ATOM 481 C2' DG B 8 1.388 5.664 -0.711 1.00 0.00 C ATOM 482 C1' DG B 8 1.601 4.556 0.312 1.00 0.00 C ATOM 483 N9 DG B 8 0.506 3.563 0.373 1.00 0.00 N ATOM 484 C8 DG B 8 -0.854 3.754 0.354 1.00 0.00 C ATOM 485 N7 DG B 8 -1.545 2.656 0.498 1.00 0.00 N ATOM 486 C5 DG B 8 -0.579 1.660 0.610 1.00 0.00 C ATOM 487 C6 DG B 8 -0.718 0.248 0.783 1.00 0.00 C ATOM 488 O6 DG B 8 -1.754 -0.405 0.886 1.00 0.00 O ATOM 489 N1 DG B 8 0.510 -0.409 0.834 1.00 0.00 N ATOM 490 C2 DG B 8 1.735 0.220 0.720 1.00 0.00 C ATOM 491 N2 DG B 8 2.825 -0.553 0.762 1.00 0.00 N ATOM 492 N3 DG B 8 1.868 1.546 0.574 1.00 0.00 N ATOM 493 C4 DG B 8 0.679 2.207 0.526 1.00 0.00 C ATOM 0 H5' DG B 8 1.723 7.251 3.108 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.637 8.393 2.143 1.00 0.00 H new ATOM 0 H4' DG B 8 3.529 6.340 1.560 1.00 0.00 H new ATOM 0 H3' DG B 8 2.239 7.696 -0.532 1.00 0.00 H new ATOM 0 H2' DG B 8 0.381 6.080 -0.669 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.549 5.322 -1.733 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.645 6.510 -1.817 1.00 0.00 H new ATOM 0 H1' DG B 8 2.467 3.948 0.051 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.310 4.725 0.231 1.00 0.00 H new ATOM 0 H1 DG B 8 0.504 -1.421 0.964 1.00 0.00 H new ATOM 0 H21 DG B 8 3.751 -0.133 0.682 1.00 0.00 H new ATOM 0 H22 DG B 8 2.730 -1.562 0.874 1.00 0.00 H new TER 506 DG B 8