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= -1.43! (180deg=-1.43!) 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= -1.57! (180deg=-1.57!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.586 -9.209 -1.268 1.00 0.00 O ATOM 2 C5' DC A 1 4.331 -9.564 0.074 1.00 0.00 C ATOM 3 C4' DC A 1 4.496 -8.342 0.984 1.00 0.00 C ATOM 4 O4' DC A 1 3.504 -7.364 0.699 1.00 0.00 O ATOM 5 C3' DC A 1 4.276 -8.682 2.466 1.00 0.00 C ATOM 6 O3' DC A 1 5.372 -9.181 3.228 1.00 0.00 O ATOM 7 C2' DC A 1 3.663 -7.381 3.040 1.00 0.00 C ATOM 8 C1' DC A 1 3.448 -6.485 1.808 1.00 0.00 C ATOM 9 N1 DC A 1 2.202 -5.671 1.869 1.00 0.00 N ATOM 10 C2 DC A 1 2.236 -4.274 1.786 1.00 0.00 C ATOM 11 O2 DC A 1 3.290 -3.661 1.637 1.00 0.00 O ATOM 12 N3 DC A 1 1.056 -3.588 1.876 1.00 0.00 N ATOM 13 C4 DC A 1 -0.111 -4.231 2.048 1.00 0.00 C ATOM 14 N4 DC A 1 -1.238 -3.520 2.160 1.00 0.00 N ATOM 15 C5 DC A 1 -0.168 -5.664 2.093 1.00 0.00 C ATOM 16 C6 DC A 1 1.011 -6.319 1.994 1.00 0.00 C ATOM 0 H5' DC A 1 5.015 -10.354 0.385 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.321 -9.962 0.167 1.00 0.00 H new ATOM 0 H4' DC A 1 5.511 -7.988 0.802 1.00 0.00 H new ATOM 0 H3' DC A 1 3.637 -9.562 2.539 1.00 0.00 H new ATOM 0 H2' DC A 1 2.724 -7.578 3.557 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.331 -6.911 3.762 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.479 -9.997 -1.841 1.00 0.00 H new ATOM 0 H1' DC A 1 4.218 -5.716 1.739 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.131 -3.996 2.291 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.205 -2.502 2.115 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.104 -6.192 2.200 1.00 0.00 H new ATOM 0 H6 DC A 1 1.008 -7.399 2.015 1.00 0.00 H new ATOM 29 P DG A 2 6.875 -8.558 3.277 1.00 0.00 P ATOM 30 OP1 DG A 2 7.474 -8.684 1.929 1.00 0.00 O ATOM 31 OP2 DG A 2 7.561 -9.193 4.423 1.00 0.00 O ATOM 32 O5' DG A 2 6.726 -6.985 3.633 1.00 0.00 O ATOM 33 C5' DG A 2 7.233 -5.984 2.770 1.00 0.00 C ATOM 34 C4' DG A 2 7.222 -4.593 3.385 1.00 0.00 C ATOM 35 O4' DG A 2 5.909 -4.068 3.301 1.00 0.00 O ATOM 36 C3' DG A 2 7.687 -4.532 4.849 1.00 0.00 C ATOM 37 O3' DG A 2 8.627 -3.480 4.931 1.00 0.00 O ATOM 38 C2' DG A 2 6.335 -4.299 5.524 1.00 0.00 C ATOM 39 C1' DG A 2 5.671 -3.388 4.503 1.00 0.00 C ATOM 40 N9 DG A 2 4.222 -3.210 4.743 1.00 0.00 N ATOM 41 C8 DG A 2 3.325 -4.134 5.214 1.00 0.00 C ATOM 42 N7 DG A 2 2.082 -3.749 5.172 1.00 0.00 N ATOM 43 C5 DG A 2 2.157 -2.454 4.674 1.00 0.00 C ATOM 44 C6 DG A 2 1.115 -1.521 4.399 1.00 0.00 C ATOM 45 O6 DG A 2 -0.097 -1.716 4.431 1.00 0.00 O ATOM 46 N1 DG A 2 1.603 -0.262 4.058 1.00 0.00 N ATOM 47 C2 DG A 2 2.944 0.031 3.889 1.00 0.00 C ATOM 48 N2 DG A 2 3.253 1.287 3.552 1.00 0.00 N ATOM 49 N3 DG A 2 3.922 -0.878 4.046 1.00 0.00 N ATOM 50 C4 DG A 2 3.466 -2.095 4.453 1.00 0.00 C ATOM 0 H5' DG A 2 6.643 -5.972 1.853 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.254 -6.241 2.489 1.00 0.00 H new ATOM 0 H4' DG A 2 7.942 -4.005 2.815 1.00 0.00 H new ATOM 0 H3' DG A 2 8.203 -5.381 5.297 1.00 0.00 H new ATOM 0 H2' DG A 2 5.782 -5.226 5.675 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.435 -3.825 6.500 1.00 0.00 H new ATOM 0 H1' DG A 2 6.064 -2.372 4.529 1.00 0.00 H new ATOM 0 H8 DG A 2 3.625 -5.101 5.589 1.00 0.00 H new ATOM 0 H1 DG A 2 0.929 0.492 3.924 1.00 0.00 H new ATOM 0 H21 DG A 2 4.228 1.553 3.416 1.00 0.00 H new ATOM 0 H22 DG A 2 2.514 1.979 3.431 1.00 0.00 H new ATOM 62 P DC A 3 9.145 -2.856 6.315 1.00 0.00 P ATOM 63 OP1 DC A 3 10.587 -2.551 6.185 1.00 0.00 O ATOM 64 OP2 DC A 3 8.658 -3.672 7.449 1.00 0.00 O ATOM 65 O5' DC A 3 8.317 -1.481 6.263 1.00 0.00 O ATOM 66 C5' DC A 3 8.577 -0.523 5.253 1.00 0.00 C ATOM 67 C4' DC A 3 7.834 0.775 5.550 1.00 0.00 C ATOM 68 O4' DC A 3 6.442 0.556 5.451 1.00 0.00 O ATOM 69 C3' DC A 3 8.157 1.316 6.950 1.00 0.00 C ATOM 70 O3' DC A 3 8.645 2.639 6.804 1.00 0.00 O ATOM 71 C2' DC A 3 6.831 1.192 7.678 1.00 0.00 C ATOM 72 C1' DC A 3 5.805 1.157 6.556 1.00 0.00 C ATOM 73 N1 DC A 3 4.661 0.305 6.962 1.00 0.00 N ATOM 74 C2 DC A 3 3.380 0.845 7.046 1.00 0.00 C ATOM 75 O2 DC A 3 3.157 2.024 6.783 1.00 0.00 O ATOM 76 N3 DC A 3 2.362 0.025 7.431 1.00 0.00 N ATOM 77 C4 DC A 3 2.576 -1.258 7.756 1.00 0.00 C ATOM 78 N4 DC A 3 1.532 -2.030 8.071 1.00 0.00 N ATOM 79 C5 DC A 3 3.895 -1.814 7.723 1.00 0.00 C ATOM 80 C6 DC A 3 4.886 -1.008 7.292 1.00 0.00 C ATOM 0 H5' DC A 3 8.267 -0.914 4.284 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.648 -0.331 5.192 1.00 0.00 H new ATOM 0 H4' DC A 3 8.159 1.514 4.818 1.00 0.00 H new ATOM 0 H3' DC A 3 8.932 0.793 7.511 1.00 0.00 H new ATOM 0 H2' DC A 3 6.791 0.288 8.286 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.662 2.034 8.349 1.00 0.00 H new ATOM 0 H1' DC A 3 5.442 2.158 6.323 1.00 0.00 H new ATOM 0 H41 DC A 3 1.678 -3.008 8.321 1.00 0.00 H new ATOM 0 H42 DC A 3 0.589 -1.641 8.062 1.00 0.00 H new ATOM 0 H5 DC A 3 4.087 -2.832 8.029 1.00 0.00 H new ATOM 0 H6 DC A 3 5.886 -1.407 7.204 1.00 0.00 H new ATOM 92 P DT A 4 9.012 3.587 8.054 1.00 0.00 P ATOM 93 OP1 DT A 4 9.849 4.702 7.558 1.00 0.00 O ATOM 94 OP2 DT A 4 9.496 2.739 9.167 1.00 0.00 O ATOM 95 O5' DT A 4 7.570 4.178 8.456 1.00 0.00 O ATOM 96 C5' DT A 4 6.774 4.890 7.526 1.00 0.00 C ATOM 97 C4' DT A 4 5.498 5.394 8.206 1.00 0.00 C ATOM 98 O4' DT A 4 4.625 4.302 8.440 1.00 0.00 O ATOM 99 C3' DT A 4 5.771 6.091 9.546 1.00 0.00 C ATOM 100 O3' DT A 4 5.215 7.393 9.537 1.00 0.00 O ATOM 101 C2' DT A 4 5.126 5.142 10.558 1.00 0.00 C ATOM 102 C1' DT A 4 4.058 4.429 9.727 1.00 0.00 C ATOM 103 N1 DT A 4 3.676 3.072 10.219 1.00 0.00 N ATOM 104 C2 DT A 4 2.322 2.732 10.232 1.00 0.00 C ATOM 105 O2 DT A 4 1.417 3.548 10.073 1.00 0.00 O ATOM 106 N3 DT A 4 2.026 1.393 10.440 1.00 0.00 N ATOM 107 C4 DT A 4 2.940 0.368 10.630 1.00 0.00 C ATOM 108 O4 DT A 4 2.542 -0.781 10.811 1.00 0.00 O ATOM 109 C5 DT A 4 4.329 0.793 10.592 1.00 0.00 C ATOM 110 C7 DT A 4 5.447 -0.238 10.687 1.00 0.00 C ATOM 111 C6 DT A 4 4.637 2.101 10.405 1.00 0.00 C ATOM 0 H5' DT A 4 6.518 4.245 6.686 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.337 5.731 7.122 1.00 0.00 H new ATOM 0 H4' DT A 4 5.050 6.125 7.533 1.00 0.00 H new ATOM 0 H3' DT A 4 6.823 6.255 9.777 1.00 0.00 H new ATOM 0 H2' DT A 4 5.850 4.441 10.972 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.690 5.683 11.398 1.00 0.00 H new ATOM 0 H1' DT A 4 3.137 5.010 9.769 1.00 0.00 H new ATOM 0 H3 DT A 4 1.039 1.137 10.455 1.00 0.00 H new ATOM 0 H71 DT A 4 6.319 0.119 10.139 1.00 0.00 H new ATOM 0 H72 DT A 4 5.713 -0.391 11.733 1.00 0.00 H new ATOM 0 H73 DT A 4 5.110 -1.181 10.257 1.00 0.00 H new ATOM 0 H6 DT A 4 5.677 2.393 10.402 1.00 0.00 H new ATOM 124 P DA A 5 5.274 8.366 10.826 1.00 0.00 P ATOM 125 OP1 DA A 5 5.228 9.768 10.357 1.00 0.00 O ATOM 126 OP2 DA A 5 6.368 7.920 11.718 1.00 0.00 O ATOM 127 O5' DA A 5 3.867 8.014 11.526 1.00 0.00 O ATOM 128 C5' DA A 5 2.659 8.347 10.878 1.00 0.00 C ATOM 129 C4' DA A 5 1.434 7.894 11.654 1.00 0.00 C ATOM 130 O4' DA A 5 1.355 6.491 11.729 1.00 0.00 O ATOM 131 C3' DA A 5 1.379 8.467 13.074 1.00 0.00 C ATOM 132 O3' DA A 5 0.291 9.371 13.075 1.00 0.00 O ATOM 133 C2' DA A 5 1.314 7.216 13.943 1.00 0.00 C ATOM 134 C1' DA A 5 0.793 6.161 12.979 1.00 0.00 C ATOM 135 N9 DA A 5 1.222 4.783 13.281 1.00 0.00 N ATOM 136 C8 DA A 5 2.498 4.290 13.360 1.00 0.00 C ATOM 137 N7 DA A 5 2.568 2.989 13.451 1.00 0.00 N ATOM 138 C5 DA A 5 1.235 2.588 13.422 1.00 0.00 C ATOM 139 C6 DA A 5 0.594 1.329 13.462 1.00 0.00 C ATOM 140 N6 DA A 5 1.254 0.166 13.520 1.00 0.00 N ATOM 141 N1 DA A 5 -0.753 1.299 13.431 1.00 0.00 N ATOM 142 C2 DA A 5 -1.425 2.443 13.329 1.00 0.00 C ATOM 143 N3 DA A 5 -0.945 3.675 13.237 1.00 0.00 N ATOM 144 C4 DA A 5 0.411 3.679 13.301 1.00 0.00 C ATOM 0 H5' DA A 5 2.645 7.892 9.887 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.614 9.426 10.734 1.00 0.00 H new ATOM 0 H4' DA A 5 0.582 8.281 11.095 1.00 0.00 H new ATOM 0 H3' DA A 5 2.209 9.061 13.455 1.00 0.00 H new ATOM 0 H2' DA A 5 2.293 6.950 14.343 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.647 7.350 14.795 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.296 6.168 13.030 1.00 0.00 H new ATOM 0 H8 DA A 5 3.372 4.924 13.348 1.00 0.00 H new ATOM 0 H61 DA A 5 0.737 -0.713 13.547 1.00 0.00 H new ATOM 0 H62 DA A 5 2.274 0.159 13.537 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.501 2.356 13.320 1.00 0.00 H new ATOM 156 P DG A 6 -0.209 10.138 14.386 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.971 11.340 13.980 1.00 0.00 O ATOM 158 OP2 DG A 6 0.908 10.247 15.351 1.00 0.00 O ATOM 159 O5' DG A 6 -1.232 9.024 14.896 1.00 0.00 O ATOM 160 C5' DG A 6 -2.391 8.689 14.158 1.00 0.00 C ATOM 161 C4' DG A 6 -3.087 7.523 14.858 1.00 0.00 C ATOM 162 O4' DG A 6 -2.357 6.308 14.660 1.00 0.00 O ATOM 163 C3' DG A 6 -3.157 7.799 16.371 1.00 0.00 C ATOM 164 O3' DG A 6 -4.467 7.669 16.880 1.00 0.00 O ATOM 165 C2' DG A 6 -2.186 6.741 16.862 1.00 0.00 C ATOM 166 C1' DG A 6 -2.396 5.610 15.887 1.00 0.00 C ATOM 167 N9 DG A 6 -1.373 4.559 16.113 1.00 0.00 N ATOM 168 C8 DG A 6 -0.017 4.681 16.313 1.00 0.00 C ATOM 169 N7 DG A 6 0.600 3.556 16.527 1.00 0.00 N ATOM 170 C5 DG A 6 -0.419 2.616 16.501 1.00 0.00 C ATOM 171 C6 DG A 6 -0.357 1.204 16.671 1.00 0.00 C ATOM 172 O6 DG A 6 0.647 0.514 16.810 1.00 0.00 O ATOM 173 N1 DG A 6 -1.617 0.614 16.669 1.00 0.00 N ATOM 174 C2 DG A 6 -2.804 1.299 16.497 1.00 0.00 C ATOM 175 N2 DG A 6 -3.934 0.588 16.565 1.00 0.00 N ATOM 176 N3 DG A 6 -2.860 2.624 16.297 1.00 0.00 N ATOM 177 C4 DG A 6 -1.637 3.224 16.309 1.00 0.00 C ATOM 0 H5' DG A 6 -2.125 8.414 13.137 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.060 9.547 14.093 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.088 7.421 14.438 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.903 8.812 16.683 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.157 7.100 16.848 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.404 6.437 17.886 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.318 5.033 15.962 1.00 0.00 H new ATOM 0 H8 DG A 6 0.493 5.633 16.294 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.668 -0.396 16.804 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.835 1.050 16.444 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.895 -0.417 16.738 1.00 0.00 H new ATOM 189 P DC A 7 -4.801 7.848 18.457 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.072 8.595 18.581 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.595 8.319 19.173 1.00 0.00 O ATOM 192 O5' DC A 7 -5.069 6.311 18.858 1.00 0.00 O ATOM 193 C5' DC A 7 -6.033 5.583 18.131 1.00 0.00 C ATOM 194 C4' DC A 7 -6.361 4.203 18.688 1.00 0.00 C ATOM 195 O4' DC A 7 -5.297 3.312 18.426 1.00 0.00 O ATOM 196 C3' DC A 7 -6.686 4.209 20.182 1.00 0.00 C ATOM 197 O3' DC A 7 -7.886 3.481 20.382 1.00 0.00 O ATOM 198 C2' DC A 7 -5.441 3.554 20.745 1.00 0.00 C ATOM 199 C1' DC A 7 -4.947 2.654 19.620 1.00 0.00 C ATOM 200 N1 DC A 7 -3.466 2.543 19.666 1.00 0.00 N ATOM 201 C2 DC A 7 -2.848 1.307 19.871 1.00 0.00 C ATOM 202 O2 DC A 7 -3.500 0.276 20.024 1.00 0.00 O ATOM 203 N3 DC A 7 -1.482 1.264 19.898 1.00 0.00 N ATOM 204 C4 DC A 7 -0.749 2.379 19.745 1.00 0.00 C ATOM 205 N4 DC A 7 0.584 2.286 19.734 1.00 0.00 N ATOM 206 C5 DC A 7 -1.369 3.649 19.510 1.00 0.00 C ATOM 207 C6 DC A 7 -2.714 3.675 19.464 1.00 0.00 C ATOM 0 H5' DC A 7 -5.681 5.469 17.106 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.952 6.168 18.090 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.265 3.870 18.178 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.877 5.173 20.654 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.691 4.296 21.019 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.665 2.980 21.644 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.377 1.656 19.700 1.00 0.00 H new ATOM 0 H41 DC A 7 1.153 3.125 19.619 1.00 0.00 H new ATOM 0 H42 DC A 7 1.033 1.376 19.841 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.783 4.546 19.376 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.215 4.610 19.263 1.00 0.00 H new ATOM 219 P DG A 8 -8.605 3.360 21.822 1.00 0.00 P ATOM 220 OP1 DG A 8 -9.977 2.845 21.613 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.399 4.622 22.567 1.00 0.00 O ATOM 222 O5' DG A 8 -7.739 2.208 22.533 1.00 0.00 O ATOM 223 C5' DG A 8 -7.678 0.901 21.997 1.00 0.00 C ATOM 224 C4' DG A 8 -6.737 0.020 22.824 1.00 0.00 C ATOM 225 O4' DG A 8 -5.398 0.273 22.433 1.00 0.00 O ATOM 226 C3' DG A 8 -6.822 0.245 24.346 1.00 0.00 C ATOM 227 O3' DG A 8 -6.945 -0.981 25.037 1.00 0.00 O ATOM 228 C2' DG A 8 -5.479 0.894 24.657 1.00 0.00 C ATOM 229 C1' DG A 8 -4.606 0.238 23.597 1.00 0.00 C ATOM 230 N9 DG A 8 -3.304 0.908 23.394 1.00 0.00 N ATOM 231 C8 DG A 8 -3.003 2.247 23.344 1.00 0.00 C ATOM 232 N7 DG A 8 -1.740 2.495 23.121 1.00 0.00 N ATOM 233 C5 DG A 8 -1.160 1.234 23.013 1.00 0.00 C ATOM 234 C6 DG A 8 0.194 0.850 22.758 1.00 0.00 C ATOM 235 O6 DG A 8 1.171 1.576 22.590 1.00 0.00 O ATOM 236 N1 DG A 8 0.357 -0.534 22.707 1.00 0.00 N ATOM 237 C2 DG A 8 -0.663 -1.446 22.894 1.00 0.00 C ATOM 238 N2 DG A 8 -0.348 -2.743 22.833 1.00 0.00 N ATOM 239 N3 DG A 8 -1.934 -1.089 23.125 1.00 0.00 N ATOM 240 C4 DG A 8 -2.115 0.259 23.170 1.00 0.00 C ATOM 0 H5' DG A 8 -7.332 0.942 20.964 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.676 0.462 21.982 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.050 -1.005 22.628 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.684 0.842 24.645 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.509 1.979 24.557 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.137 0.677 25.669 1.00 0.00 H new ATOM 0 HO3' DG A 8 -6.995 -0.810 26.001 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.322 -0.772 23.894 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.742 3.023 23.477 1.00 0.00 H new ATOM 0 H1 DG A 8 1.292 -0.897 22.519 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.071 -3.450 22.965 1.00 0.00 H new ATOM 0 H22 DG A 8 0.615 -3.026 22.654 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.990 -6.653 25.554 1.00 0.00 O ATOM 255 C5' DC B 1 7.360 -6.772 24.197 1.00 0.00 C ATOM 256 C4' DC B 1 6.122 -6.670 23.301 1.00 0.00 C ATOM 257 O4' DC B 1 5.519 -5.396 23.402 1.00 0.00 O ATOM 258 C3' DC B 1 6.429 -6.919 21.822 1.00 0.00 C ATOM 259 O3' DC B 1 6.068 -8.275 21.592 1.00 0.00 O ATOM 260 C2' DC B 1 5.542 -5.855 21.121 1.00 0.00 C ATOM 261 C1' DC B 1 4.715 -5.237 22.255 1.00 0.00 C ATOM 262 N1 DC B 1 4.373 -3.809 22.038 1.00 0.00 N ATOM 263 C2 DC B 1 3.048 -3.368 22.054 1.00 0.00 C ATOM 264 O2 DC B 1 2.112 -4.153 22.188 1.00 0.00 O ATOM 265 N3 DC B 1 2.809 -2.029 21.917 1.00 0.00 N ATOM 266 C4 DC B 1 3.818 -1.155 21.758 1.00 0.00 C ATOM 267 N4 DC B 1 3.536 0.144 21.612 1.00 0.00 N ATOM 268 C5 DC B 1 5.187 -1.589 21.793 1.00 0.00 C ATOM 269 C6 DC B 1 5.396 -2.916 21.942 1.00 0.00 C ATOM 0 H5' DC B 1 7.860 -7.726 24.031 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.072 -5.989 23.937 1.00 0.00 H new ATOM 0 H4' DC B 1 5.448 -7.448 23.659 1.00 0.00 H new ATOM 0 H3' DC B 1 7.455 -6.813 21.469 1.00 0.00 H new ATOM 0 H2' DC B 1 6.148 -5.103 20.617 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.902 -6.308 20.364 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.789 -6.721 26.118 1.00 0.00 H new ATOM 0 H1' DC B 1 3.746 -5.729 22.334 1.00 0.00 H new ATOM 0 H41 DC B 1 4.291 0.819 21.490 1.00 0.00 H new ATOM 0 H42 DC B 1 2.566 0.460 21.622 1.00 0.00 H new ATOM 0 H5 DC B 1 6.007 -0.891 21.705 1.00 0.00 H new ATOM 0 H6 DC B 1 6.411 -3.281 21.987 1.00 0.00 H new ATOM 282 P DG B 2 5.717 -8.893 20.147 1.00 0.00 P ATOM 283 OP1 DG B 2 5.759 -10.368 20.257 1.00 0.00 O ATOM 284 OP2 DG B 2 6.541 -8.205 19.128 1.00 0.00 O ATOM 285 O5' DG B 2 4.176 -8.448 19.947 1.00 0.00 O ATOM 286 C5' DG B 2 3.180 -8.700 20.926 1.00 0.00 C ATOM 287 C4' DG B 2 1.797 -8.317 20.417 1.00 0.00 C ATOM 288 O4' DG B 2 1.638 -6.915 20.558 1.00 0.00 O ATOM 289 C3' DG B 2 1.564 -8.702 18.950 1.00 0.00 C ATOM 290 O3' DG B 2 0.272 -9.269 18.868 1.00 0.00 O ATOM 291 C2' DG B 2 1.752 -7.329 18.317 1.00 0.00 C ATOM 292 C1' DG B 2 1.091 -6.439 19.358 1.00 0.00 C ATOM 293 N9 DG B 2 1.413 -5.010 19.152 1.00 0.00 N ATOM 294 C8 DG B 2 2.613 -4.483 18.762 1.00 0.00 C ATOM 295 N7 DG B 2 2.664 -3.182 18.772 1.00 0.00 N ATOM 296 C5 DG B 2 1.387 -2.811 19.176 1.00 0.00 C ATOM 297 C6 DG B 2 0.843 -1.511 19.393 1.00 0.00 C ATOM 298 O6 DG B 2 1.434 -0.436 19.366 1.00 0.00 O ATOM 299 N1 DG B 2 -0.521 -1.543 19.666 1.00 0.00 N ATOM 300 C2 DG B 2 -1.256 -2.704 19.819 1.00 0.00 C ATOM 301 N2 DG B 2 -2.558 -2.566 20.091 1.00 0.00 N ATOM 302 N3 DG B 2 -0.722 -3.934 19.713 1.00 0.00 N ATOM 303 C4 DG B 2 0.598 -3.921 19.376 1.00 0.00 C ATOM 0 H5' DG B 2 3.406 -8.137 21.831 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.191 -9.756 21.196 1.00 0.00 H new ATOM 0 H4' DG B 2 1.067 -8.868 21.009 1.00 0.00 H new ATOM 0 H3' DG B 2 2.198 -9.448 18.471 1.00 0.00 H new ATOM 0 H2' DG B 2 2.804 -7.082 18.171 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.269 -7.254 17.343 1.00 0.00 H new ATOM 0 H1' DG B 2 0.002 -6.482 19.324 1.00 0.00 H new ATOM 0 H8 DG B 2 3.452 -5.097 18.469 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.010 -0.653 19.759 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.144 -3.392 20.213 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.965 -1.635 20.176 1.00 0.00 H new ATOM 315 P DC B 3 -0.485 -9.528 17.479 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.286 -10.767 17.601 1.00 0.00 O ATOM 317 OP2 DC B 3 0.467 -9.368 16.357 1.00 0.00 O ATOM 318 O5' DC B 3 -1.477 -8.264 17.505 1.00 0.00 O ATOM 319 C5' DC B 3 -2.530 -8.186 18.448 1.00 0.00 C ATOM 320 C4' DC B 3 -3.450 -7.020 18.091 1.00 0.00 C ATOM 321 O4' DC B 3 -2.755 -5.795 18.196 1.00 0.00 O ATOM 322 C3' DC B 3 -4.019 -7.149 16.670 1.00 0.00 C ATOM 323 O3' DC B 3 -5.433 -7.187 16.755 1.00 0.00 O ATOM 324 C2' DC B 3 -3.450 -5.931 15.962 1.00 0.00 C ATOM 325 C1' DC B 3 -3.098 -4.980 17.096 1.00 0.00 C ATOM 326 N1 DC B 3 -1.907 -4.183 16.716 1.00 0.00 N ATOM 327 C2 DC B 3 -1.983 -2.795 16.619 1.00 0.00 C ATOM 328 O2 DC B 3 -3.032 -2.189 16.823 1.00 0.00 O ATOM 329 N3 DC B 3 -0.848 -2.113 16.291 1.00 0.00 N ATOM 330 C4 DC B 3 0.306 -2.747 16.038 1.00 0.00 C ATOM 331 N4 DC B 3 1.398 -2.027 15.765 1.00 0.00 N ATOM 332 C5 DC B 3 0.389 -4.176 16.095 1.00 0.00 C ATOM 333 C6 DC B 3 -0.729 -4.836 16.457 1.00 0.00 C ATOM 0 H5' DC B 3 -2.125 -8.049 19.451 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.094 -9.119 18.457 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.279 -7.043 18.798 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.753 -8.054 16.123 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.572 -6.187 15.369 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.177 -5.489 15.281 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.924 -4.306 17.321 1.00 0.00 H new ATOM 0 H41 DC B 3 2.283 -2.496 15.571 1.00 0.00 H new ATOM 0 H42 DC B 3 1.347 -1.008 15.751 1.00 0.00 H new ATOM 0 H5 DC B 3 1.304 -4.699 15.859 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.696 -5.912 16.546 1.00 0.00 H new ATOM 345 P DT B 4 -6.392 -7.230 15.459 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.739 -7.660 15.895 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.697 -7.965 14.378 1.00 0.00 O ATOM 348 O5' DT B 4 -6.468 -5.675 15.048 1.00 0.00 O ATOM 349 C5' DT B 4 -6.891 -4.691 15.973 1.00 0.00 C ATOM 350 C4' DT B 4 -6.936 -3.308 15.321 1.00 0.00 C ATOM 351 O4' DT B 4 -5.618 -2.822 15.144 1.00 0.00 O ATOM 352 C3' DT B 4 -7.648 -3.309 13.965 1.00 0.00 C ATOM 353 O3' DT B 4 -8.731 -2.395 13.992 1.00 0.00 O ATOM 354 C2' DT B 4 -6.529 -2.922 12.996 1.00 0.00 C ATOM 355 C1' DT B 4 -5.512 -2.200 13.881 1.00 0.00 C ATOM 356 N1 DT B 4 -4.094 -2.307 13.429 1.00 0.00 N ATOM 357 C2 DT B 4 -3.308 -1.154 13.438 1.00 0.00 C ATOM 358 O2 DT B 4 -3.765 -0.023 13.583 1.00 0.00 O ATOM 359 N3 DT B 4 -1.944 -1.338 13.271 1.00 0.00 N ATOM 360 C4 DT B 4 -1.292 -2.548 13.096 1.00 0.00 C ATOM 361 O4 DT B 4 -0.072 -2.569 12.949 1.00 0.00 O ATOM 362 C5 DT B 4 -2.170 -3.705 13.109 1.00 0.00 C ATOM 363 C7 DT B 4 -1.578 -5.105 13.016 1.00 0.00 C ATOM 364 C6 DT B 4 -3.511 -3.544 13.261 1.00 0.00 C ATOM 0 H5' DT B 4 -6.212 -4.673 16.826 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.878 -4.948 16.357 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.505 -2.664 15.991 1.00 0.00 H new ATOM 0 H3' DT B 4 -8.104 -4.257 13.679 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.092 -3.799 12.519 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.896 -2.275 12.199 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.740 -1.134 13.867 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.363 -0.500 13.278 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.221 -5.808 13.546 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.504 -5.400 11.969 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.585 -5.111 13.466 1.00 0.00 H new ATOM 0 H6 DT B 4 -4.144 -4.419 13.250 1.00 0.00 H new ATOM 377 P DA B 5 -9.613 -2.053 12.681 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.927 -1.536 13.123 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.545 -3.197 11.744 1.00 0.00 O ATOM 380 O5' DA B 5 -8.762 -0.830 12.063 1.00 0.00 O ATOM 381 C5' DA B 5 -8.612 0.364 12.799 1.00 0.00 C ATOM 382 C4' DA B 5 -7.823 1.441 12.075 1.00 0.00 C ATOM 383 O4' DA B 5 -6.448 1.127 12.016 1.00 0.00 O ATOM 384 C3' DA B 5 -8.340 1.659 10.649 1.00 0.00 C ATOM 385 O3' DA B 5 -8.699 3.021 10.572 1.00 0.00 O ATOM 386 C2' DA B 5 -7.180 1.138 9.817 1.00 0.00 C ATOM 387 C1' DA B 5 -5.988 1.426 10.716 1.00 0.00 C ATOM 388 N9 DA B 5 -4.821 0.569 10.445 1.00 0.00 N ATOM 389 C8 DA B 5 -4.777 -0.793 10.336 1.00 0.00 C ATOM 390 N7 DA B 5 -3.571 -1.290 10.254 1.00 0.00 N ATOM 391 C5 DA B 5 -2.753 -0.165 10.306 1.00 0.00 C ATOM 392 C6 DA B 5 -1.354 0.026 10.269 1.00 0.00 C ATOM 393 N6 DA B 5 -0.478 -0.984 10.221 1.00 0.00 N ATOM 394 N1 DA B 5 -0.882 1.289 10.284 1.00 0.00 N ATOM 395 C2 DA B 5 -1.745 2.301 10.374 1.00 0.00 C ATOM 396 N3 DA B 5 -3.065 2.252 10.474 1.00 0.00 N ATOM 397 C4 DA B 5 -3.513 0.973 10.424 1.00 0.00 C ATOM 0 H5' DA B 5 -8.116 0.137 13.743 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.600 0.754 13.044 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.959 2.357 12.650 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.238 1.149 10.300 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.279 0.074 9.600 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.102 1.653 8.859 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.656 2.453 10.563 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.665 -1.407 10.319 1.00 0.00 H new ATOM 0 H61 DA B 5 0.523 -0.790 10.196 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.811 -1.948 10.210 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.311 3.290 10.364 1.00 0.00 H new ATOM 409 P DG B 6 -9.285 3.692 9.243 1.00 0.00 P ATOM 410 OP1 DG B 6 -10.162 4.823 9.618 1.00 0.00 O ATOM 411 OP2 DG B 6 -9.766 2.639 8.320 1.00 0.00 O ATOM 412 O5' DG B 6 -7.899 4.263 8.706 1.00 0.00 O ATOM 413 C5' DG B 6 -7.214 5.290 9.396 1.00 0.00 C ATOM 414 C4' DG B 6 -5.880 5.513 8.696 1.00 0.00 C ATOM 415 O4' DG B 6 -5.004 4.408 8.937 1.00 0.00 O ATOM 416 C3' DG B 6 -6.111 5.619 7.178 1.00 0.00 C ATOM 417 O3' DG B 6 -5.580 6.810 6.637 1.00 0.00 O ATOM 418 C2' DG B 6 -5.427 4.347 6.724 1.00 0.00 C ATOM 419 C1' DG B 6 -4.315 4.172 7.729 1.00 0.00 C ATOM 420 N9 DG B 6 -3.684 2.843 7.547 1.00 0.00 N ATOM 421 C8 DG B 6 -4.265 1.604 7.411 1.00 0.00 C ATOM 422 N7 DG B 6 -3.422 0.631 7.222 1.00 0.00 N ATOM 423 C5 DG B 6 -2.190 1.268 7.200 1.00 0.00 C ATOM 424 C6 DG B 6 -0.887 0.720 7.037 1.00 0.00 C ATOM 425 O6 DG B 6 -0.581 -0.464 6.942 1.00 0.00 O ATOM 426 N1 DG B 6 0.098 1.702 6.991 1.00 0.00 N ATOM 427 C2 DG B 6 -0.138 3.058 7.114 1.00 0.00 C ATOM 428 N2 DG B 6 0.916 3.874 7.016 1.00 0.00 N ATOM 429 N3 DG B 6 -1.363 3.571 7.305 1.00 0.00 N ATOM 430 C4 DG B 6 -2.343 2.626 7.341 1.00 0.00 C ATOM 0 H5' DG B 6 -7.057 5.011 10.438 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.803 6.207 9.397 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.434 6.430 9.082 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.150 5.689 6.856 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.111 3.499 6.730 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.041 4.438 5.709 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.452 4.834 7.656 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.333 1.451 7.457 1.00 0.00 H new ATOM 0 H1 DG B 6 1.063 1.399 6.857 1.00 0.00 H new ATOM 0 H21 DG B 6 0.790 4.883 7.100 1.00 0.00 H new ATOM 0 H22 DG B 6 1.847 3.488 6.857 1.00 0.00 H new ATOM 442 P DC B 7 -5.640 7.131 5.051 1.00 0.00 P ATOM 443 OP1 DC B 7 -5.876 8.582 4.875 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.520 6.152 4.375 1.00 0.00 O ATOM 445 O5' DC B 7 -4.113 6.807 4.656 1.00 0.00 O ATOM 446 C5' DC B 7 -3.081 7.465 5.354 1.00 0.00 C ATOM 447 C4' DC B 7 -1.690 7.266 4.765 1.00 0.00 C ATOM 448 O4' DC B 7 -1.229 5.958 5.036 1.00 0.00 O ATOM 449 C3' DC B 7 -1.628 7.559 3.270 1.00 0.00 C ATOM 450 O3' DC B 7 -0.511 8.396 3.016 1.00 0.00 O ATOM 451 C2' DC B 7 -1.506 6.151 2.738 1.00 0.00 C ATOM 452 C1' DC B 7 -0.784 5.379 3.835 1.00 0.00 C ATOM 453 N1 DC B 7 -1.193 3.950 3.831 1.00 0.00 N ATOM 454 C2 DC B 7 -0.243 2.932 3.715 1.00 0.00 C ATOM 455 O2 DC B 7 0.950 3.179 3.554 1.00 0.00 O ATOM 456 N3 DC B 7 -0.671 1.637 3.787 1.00 0.00 N ATOM 457 C4 DC B 7 -1.970 1.342 3.965 1.00 0.00 C ATOM 458 N4 DC B 7 -2.341 0.063 4.061 1.00 0.00 N ATOM 459 C5 DC B 7 -2.951 2.376 4.121 1.00 0.00 C ATOM 460 C6 DC B 7 -2.513 3.647 4.052 1.00 0.00 C ATOM 0 H5' DC B 7 -3.078 7.115 6.386 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.301 8.532 5.380 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.034 7.990 5.248 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.461 8.097 2.818 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.486 5.720 2.531 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.944 6.129 1.804 1.00 0.00 H new ATOM 0 H1' DC B 7 0.297 5.422 3.701 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.324 -0.174 4.196 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.642 -0.677 3.999 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.993 2.146 4.286 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.222 4.453 4.174 1.00 0.00 H new ATOM 472 P DG B 8 -0.160 8.968 1.548 1.00 0.00 P ATOM 473 OP1 DG B 8 0.791 10.091 1.702 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.420 9.167 0.799 1.00 0.00 O ATOM 475 O5' DG B 8 0.629 7.731 0.887 1.00 0.00 O ATOM 476 C5' DG B 8 1.844 7.261 1.436 1.00 0.00 C ATOM 477 C4' DG B 8 2.353 6.043 0.659 1.00 0.00 C ATOM 478 O4' DG B 8 1.652 4.889 1.091 1.00 0.00 O ATOM 479 C3' DG B 8 2.175 6.146 -0.868 1.00 0.00 C ATOM 480 O3' DG B 8 3.359 5.766 -1.541 1.00 0.00 O ATOM 481 C2' DG B 8 1.075 5.123 -1.131 1.00 0.00 C ATOM 482 C1' DG B 8 1.401 4.103 -0.049 1.00 0.00 C ATOM 483 N9 DG B 8 0.330 3.113 0.195 1.00 0.00 N ATOM 484 C8 DG B 8 -1.031 3.287 0.260 1.00 0.00 C ATOM 485 N7 DG B 8 -1.690 2.195 0.541 1.00 0.00 N ATOM 486 C5 DG B 8 -0.700 1.226 0.673 1.00 0.00 C ATOM 487 C6 DG B 8 -0.797 -0.165 0.990 1.00 0.00 C ATOM 488 O6 DG B 8 -1.810 -0.824 1.211 1.00 0.00 O ATOM 489 N1 DG B 8 0.448 -0.791 1.040 1.00 0.00 N ATOM 490 C2 DG B 8 1.651 -0.153 0.803 1.00 0.00 C ATOM 491 N2 DG B 8 2.762 -0.891 0.878 1.00 0.00 N ATOM 492 N3 DG B 8 1.745 1.153 0.516 1.00 0.00 N ATOM 493 C4 DG B 8 0.540 1.783 0.467 1.00 0.00 C ATOM 0 H5' DG B 8 1.697 6.996 2.483 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.592 8.054 1.410 1.00 0.00 H new ATOM 0 H4' DG B 8 3.422 5.989 0.862 1.00 0.00 H new ATOM 0 H3' DG B 8 1.943 7.154 -1.211 1.00 0.00 H new ATOM 0 H2' DG B 8 0.077 5.546 -1.018 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.130 4.699 -2.134 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.222 5.837 -2.509 1.00 0.00 H new ATOM 0 H1' DG B 8 2.246 3.481 -0.343 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.512 4.240 0.094 1.00 0.00 H new ATOM 0 H1 DG B 8 0.473 -1.785 1.266 1.00 0.00 H new ATOM 0 H21 DG B 8 3.672 -0.461 0.710 1.00 0.00 H new ATOM 0 H22 DG B 8 2.700 -1.884 1.103 1.00 0.00 H new TER 506 DG B 8