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 23:sc= 0.0104 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.61! (180deg=-1.61!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.993 -9.107 -1.564 1.00 0.00 O ATOM 2 C5' DC A 1 3.990 -9.478 -0.202 1.00 0.00 C ATOM 3 C4' DC A 1 4.300 -8.262 0.676 1.00 0.00 C ATOM 4 O4' DC A 1 3.290 -7.280 0.567 1.00 0.00 O ATOM 5 C3' DC A 1 4.442 -8.614 2.160 1.00 0.00 C ATOM 6 O3' DC A 1 5.843 -8.714 2.382 1.00 0.00 O ATOM 7 C2' DC A 1 3.731 -7.416 2.850 1.00 0.00 C ATOM 8 C1' DC A 1 3.405 -6.452 1.702 1.00 0.00 C ATOM 9 N1 DC A 1 2.168 -5.659 1.910 1.00 0.00 N ATOM 10 C2 DC A 1 2.181 -4.263 1.853 1.00 0.00 C ATOM 11 O2 DC A 1 3.226 -3.638 1.693 1.00 0.00 O ATOM 12 N3 DC A 1 0.994 -3.598 1.979 1.00 0.00 N ATOM 13 C4 DC A 1 -0.159 -4.263 2.163 1.00 0.00 C ATOM 14 N4 DC A 1 -1.295 -3.569 2.298 1.00 0.00 N ATOM 15 C5 DC A 1 -0.194 -5.699 2.169 1.00 0.00 C ATOM 16 C6 DC A 1 0.992 -6.332 2.032 1.00 0.00 C ATOM 0 H5' DC A 1 4.730 -10.260 -0.028 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.019 -9.893 0.068 1.00 0.00 H new ATOM 0 H4' DC A 1 5.253 -7.882 0.308 1.00 0.00 H new ATOM 0 H3' DC A 1 4.007 -9.543 2.528 1.00 0.00 H new ATOM 0 H2' DC A 1 2.827 -7.736 3.369 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.376 -6.946 3.593 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.795 -9.891 -2.117 1.00 0.00 H new ATOM 0 H1' DC A 1 4.185 -5.696 1.610 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.178 -4.059 2.438 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.277 -2.550 2.261 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.120 -6.244 2.277 1.00 0.00 H new ATOM 0 H6 DC A 1 1.007 -7.412 2.019 1.00 0.00 H new ATOM 29 P DG A 2 6.556 -8.542 3.815 1.00 0.00 P ATOM 30 OP1 DG A 2 7.933 -9.072 3.707 1.00 0.00 O ATOM 31 OP2 DG A 2 5.645 -9.062 4.859 1.00 0.00 O ATOM 32 O5' DG A 2 6.646 -6.935 3.967 1.00 0.00 O ATOM 33 C5' DG A 2 7.200 -6.106 2.957 1.00 0.00 C ATOM 34 C4' DG A 2 7.317 -4.663 3.429 1.00 0.00 C ATOM 35 O4' DG A 2 6.048 -4.046 3.287 1.00 0.00 O ATOM 36 C3' DG A 2 7.772 -4.537 4.889 1.00 0.00 C ATOM 37 O3' DG A 2 8.728 -3.497 4.944 1.00 0.00 O ATOM 38 C2' DG A 2 6.422 -4.251 5.535 1.00 0.00 C ATOM 39 C1' DG A 2 5.782 -3.360 4.481 1.00 0.00 C ATOM 40 N9 DG A 2 4.328 -3.190 4.694 1.00 0.00 N ATOM 41 C8 DG A 2 3.439 -4.136 5.125 1.00 0.00 C ATOM 42 N7 DG A 2 2.194 -3.756 5.115 1.00 0.00 N ATOM 43 C5 DG A 2 2.259 -2.443 4.665 1.00 0.00 C ATOM 44 C6 DG A 2 1.208 -1.510 4.424 1.00 0.00 C ATOM 45 O6 DG A 2 -0.002 -1.712 4.474 1.00 0.00 O ATOM 46 N1 DG A 2 1.683 -0.243 4.098 1.00 0.00 N ATOM 47 C2 DG A 2 3.021 0.062 3.920 1.00 0.00 C ATOM 48 N2 DG A 2 3.315 1.325 3.595 1.00 0.00 N ATOM 49 N3 DG A 2 4.008 -0.842 4.052 1.00 0.00 N ATOM 50 C4 DG A 2 3.565 -2.071 4.437 1.00 0.00 C ATOM 0 H5' DG A 2 6.576 -6.150 2.065 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.184 -6.480 2.676 1.00 0.00 H new ATOM 0 H4' DG A 2 8.078 -4.178 2.818 1.00 0.00 H new ATOM 0 H3' DG A 2 8.275 -5.373 5.375 1.00 0.00 H new ATOM 0 H2' DG A 2 5.848 -5.160 5.711 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.523 -3.747 6.496 1.00 0.00 H new ATOM 0 H1' DG A 2 6.176 -2.344 4.496 1.00 0.00 H new ATOM 0 H8 DG A 2 3.746 -5.120 5.448 1.00 0.00 H new ATOM 0 H1 DG A 2 1.002 0.508 3.983 1.00 0.00 H new ATOM 0 H21 DG A 2 4.286 1.602 3.453 1.00 0.00 H new ATOM 0 H22 DG A 2 2.568 2.012 3.490 1.00 0.00 H new ATOM 62 P DC A 3 9.241 -2.847 6.319 1.00 0.00 P ATOM 63 OP1 DC A 3 10.677 -2.518 6.176 1.00 0.00 O ATOM 64 OP2 DC A 3 8.779 -3.666 7.461 1.00 0.00 O ATOM 65 O5' DC A 3 8.390 -1.483 6.277 1.00 0.00 O ATOM 66 C5' DC A 3 8.653 -0.499 5.293 1.00 0.00 C ATOM 67 C4' DC A 3 7.892 0.786 5.608 1.00 0.00 C ATOM 68 O4' DC A 3 6.502 0.559 5.497 1.00 0.00 O ATOM 69 C3' DC A 3 8.198 1.304 7.021 1.00 0.00 C ATOM 70 O3' DC A 3 8.704 2.623 6.897 1.00 0.00 O ATOM 71 C2' DC A 3 6.861 1.186 7.732 1.00 0.00 C ATOM 72 C1' DC A 3 5.849 1.157 6.597 1.00 0.00 C ATOM 73 N1 DC A 3 4.701 0.304 6.990 1.00 0.00 N ATOM 74 C2 DC A 3 3.422 0.849 7.088 1.00 0.00 C ATOM 75 O2 DC A 3 3.205 2.035 6.852 1.00 0.00 O ATOM 76 N3 DC A 3 2.400 0.024 7.454 1.00 0.00 N ATOM 77 C4 DC A 3 2.607 -1.268 7.743 1.00 0.00 C ATOM 78 N4 DC A 3 1.562 -2.042 8.048 1.00 0.00 N ATOM 79 C5 DC A 3 3.923 -1.832 7.688 1.00 0.00 C ATOM 80 C6 DC A 3 4.919 -1.019 7.286 1.00 0.00 C ATOM 0 H5' DC A 3 8.361 -0.871 4.311 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.723 -0.295 5.251 1.00 0.00 H new ATOM 0 H4' DC A 3 8.216 1.539 4.889 1.00 0.00 H new ATOM 0 H3' DC A 3 8.957 0.763 7.587 1.00 0.00 H new ATOM 0 H2' DC A 3 6.809 0.282 8.338 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.688 2.029 8.401 1.00 0.00 H new ATOM 0 H1' DC A 3 5.488 2.158 6.360 1.00 0.00 H new ATOM 0 H41 DC A 3 1.705 -3.027 8.270 1.00 0.00 H new ATOM 0 H42 DC A 3 0.621 -1.648 8.059 1.00 0.00 H new ATOM 0 H5 DC A 3 4.108 -2.862 7.957 1.00 0.00 H new ATOM 0 H6 DC A 3 5.918 -1.419 7.194 1.00 0.00 H new ATOM 92 P DT A 4 9.052 3.558 8.161 1.00 0.00 P ATOM 93 OP1 DT A 4 9.909 4.670 7.692 1.00 0.00 O ATOM 94 OP2 DT A 4 9.504 2.698 9.278 1.00 0.00 O ATOM 95 O5' DT A 4 7.607 4.159 8.536 1.00 0.00 O ATOM 96 C5' DT A 4 6.833 4.877 7.592 1.00 0.00 C ATOM 97 C4' DT A 4 5.551 5.393 8.252 1.00 0.00 C ATOM 98 O4' DT A 4 4.665 4.309 8.476 1.00 0.00 O ATOM 99 C3' DT A 4 5.812 6.089 9.595 1.00 0.00 C ATOM 100 O3' DT A 4 5.257 7.392 9.581 1.00 0.00 O ATOM 101 C2' DT A 4 5.154 5.141 10.600 1.00 0.00 C ATOM 102 C1' DT A 4 4.089 4.437 9.759 1.00 0.00 C ATOM 103 N1 DT A 4 3.694 3.081 10.246 1.00 0.00 N ATOM 104 C2 DT A 4 2.338 2.748 10.244 1.00 0.00 C ATOM 105 O2 DT A 4 1.438 3.568 10.077 1.00 0.00 O ATOM 106 N3 DT A 4 2.032 1.410 10.444 1.00 0.00 N ATOM 107 C4 DT A 4 2.939 0.379 10.640 1.00 0.00 C ATOM 108 O4 DT A 4 2.536 -0.769 10.811 1.00 0.00 O ATOM 109 C5 DT A 4 4.330 0.797 10.619 1.00 0.00 C ATOM 110 C7 DT A 4 5.439 -0.240 10.721 1.00 0.00 C ATOM 111 C6 DT A 4 4.647 2.105 10.440 1.00 0.00 C ATOM 0 H5' DT A 4 6.584 4.233 6.748 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.410 5.713 7.196 1.00 0.00 H new ATOM 0 H4' DT A 4 5.119 6.126 7.571 1.00 0.00 H new ATOM 0 H3' DT A 4 6.862 6.251 9.837 1.00 0.00 H new ATOM 0 H2' DT A 4 5.871 4.434 11.018 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.714 5.682 11.438 1.00 0.00 H new ATOM 0 H1' DT A 4 3.171 5.024 9.794 1.00 0.00 H new ATOM 0 H3 DT A 4 1.043 1.160 10.447 1.00 0.00 H new ATOM 0 H71 DT A 4 6.319 0.114 10.184 1.00 0.00 H new ATOM 0 H72 DT A 4 5.693 -0.399 11.769 1.00 0.00 H new ATOM 0 H73 DT A 4 5.101 -1.179 10.283 1.00 0.00 H new ATOM 0 H6 DT A 4 5.688 2.392 10.450 1.00 0.00 H new ATOM 124 P DA A 5 5.307 8.365 10.870 1.00 0.00 P ATOM 125 OP1 DA A 5 5.265 9.768 10.400 1.00 0.00 O ATOM 126 OP2 DA A 5 6.395 7.920 11.770 1.00 0.00 O ATOM 127 O5' DA A 5 3.895 8.014 11.560 1.00 0.00 O ATOM 128 C5' DA A 5 2.691 8.347 10.904 1.00 0.00 C ATOM 129 C4' DA A 5 1.461 7.897 11.673 1.00 0.00 C ATOM 130 O4' DA A 5 1.379 6.494 11.749 1.00 0.00 O ATOM 131 C3' DA A 5 1.400 8.471 13.093 1.00 0.00 C ATOM 132 O3' DA A 5 0.313 9.376 13.089 1.00 0.00 O ATOM 133 C2' DA A 5 1.327 7.220 13.961 1.00 0.00 C ATOM 134 C1' DA A 5 0.809 6.166 12.995 1.00 0.00 C ATOM 135 N9 DA A 5 1.233 4.786 13.300 1.00 0.00 N ATOM 136 C8 DA A 5 2.507 4.289 13.383 1.00 0.00 C ATOM 137 N7 DA A 5 2.572 2.987 13.471 1.00 0.00 N ATOM 138 C5 DA A 5 1.238 2.590 13.436 1.00 0.00 C ATOM 139 C6 DA A 5 0.594 1.333 13.469 1.00 0.00 C ATOM 140 N6 DA A 5 1.251 0.168 13.521 1.00 0.00 N ATOM 141 N1 DA A 5 -0.753 1.307 13.434 1.00 0.00 N ATOM 142 C2 DA A 5 -1.422 2.453 13.333 1.00 0.00 C ATOM 143 N3 DA A 5 -0.937 3.684 13.245 1.00 0.00 N ATOM 144 C4 DA A 5 0.418 3.684 13.315 1.00 0.00 C ATOM 0 H5' DA A 5 2.683 7.890 9.914 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.648 9.426 10.758 1.00 0.00 H new ATOM 0 H4' DA A 5 0.613 8.285 11.108 1.00 0.00 H new ATOM 0 H3' DA A 5 2.230 9.064 13.477 1.00 0.00 H new ATOM 0 H2' DA A 5 2.303 6.952 14.366 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.656 7.355 14.809 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.280 6.176 13.040 1.00 0.00 H new ATOM 0 H8 DA A 5 3.383 4.920 13.376 1.00 0.00 H new ATOM 0 H61 DA A 5 0.732 -0.710 13.543 1.00 0.00 H new ATOM 0 H62 DA A 5 2.271 0.158 13.539 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.499 2.370 13.321 1.00 0.00 H new ATOM 156 P DG A 6 -0.190 10.148 14.397 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.943 11.353 13.985 1.00 0.00 O ATOM 158 OP2 DG A 6 0.923 10.253 15.367 1.00 0.00 O ATOM 159 O5' DG A 6 -1.222 9.041 14.906 1.00 0.00 O ATOM 160 C5' DG A 6 -2.379 8.710 14.162 1.00 0.00 C ATOM 161 C4' DG A 6 -3.076 7.540 14.853 1.00 0.00 C ATOM 162 O4' DG A 6 -2.341 6.329 14.657 1.00 0.00 O ATOM 163 C3' DG A 6 -3.159 7.811 16.366 1.00 0.00 C ATOM 164 O3' DG A 6 -4.473 7.673 16.865 1.00 0.00 O ATOM 165 C2' DG A 6 -2.188 6.756 16.860 1.00 0.00 C ATOM 166 C1' DG A 6 -2.385 5.627 15.881 1.00 0.00 C ATOM 167 N9 DG A 6 -1.363 4.578 16.116 1.00 0.00 N ATOM 168 C8 DG A 6 -0.009 4.700 16.330 1.00 0.00 C ATOM 169 N7 DG A 6 0.606 3.575 16.551 1.00 0.00 N ATOM 170 C5 DG A 6 -0.413 2.635 16.519 1.00 0.00 C ATOM 171 C6 DG A 6 -0.353 1.225 16.697 1.00 0.00 C ATOM 172 O6 DG A 6 0.648 0.532 16.844 1.00 0.00 O ATOM 173 N1 DG A 6 -1.615 0.637 16.692 1.00 0.00 N ATOM 174 C2 DG A 6 -2.799 1.322 16.504 1.00 0.00 C ATOM 175 N2 DG A 6 -3.931 0.614 16.570 1.00 0.00 N ATOM 176 N3 DG A 6 -2.852 2.646 16.294 1.00 0.00 N ATOM 177 C4 DG A 6 -1.628 3.243 16.313 1.00 0.00 C ATOM 0 H5' DG A 6 -2.109 8.442 13.141 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.049 9.568 14.100 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.073 7.436 14.425 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.912 8.824 16.684 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.160 7.120 16.855 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.412 6.448 17.881 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.304 5.045 15.945 1.00 0.00 H new ATOM 0 H8 DG A 6 0.501 5.652 16.316 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.669 -0.371 16.838 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.830 1.077 16.438 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.895 -0.389 16.753 1.00 0.00 H new ATOM 189 P DC A 7 -4.821 7.846 18.439 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.095 8.588 18.555 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.622 8.320 19.167 1.00 0.00 O ATOM 192 O5' DC A 7 -5.087 6.307 18.835 1.00 0.00 O ATOM 193 C5' DC A 7 -6.041 5.578 18.098 1.00 0.00 C ATOM 194 C4' DC A 7 -6.367 4.193 18.645 1.00 0.00 C ATOM 195 O4' DC A 7 -5.295 3.309 18.389 1.00 0.00 O ATOM 196 C3' DC A 7 -6.706 4.190 20.136 1.00 0.00 C ATOM 197 O3' DC A 7 -7.905 3.455 20.322 1.00 0.00 O ATOM 198 C2' DC A 7 -5.463 3.538 20.708 1.00 0.00 C ATOM 199 C1' DC A 7 -4.951 2.648 19.583 1.00 0.00 C ATOM 200 N1 DC A 7 -3.471 2.549 19.648 1.00 0.00 N ATOM 201 C2 DC A 7 -2.844 1.321 19.876 1.00 0.00 C ATOM 202 O2 DC A 7 -3.490 0.285 20.024 1.00 0.00 O ATOM 203 N3 DC A 7 -1.480 1.291 19.929 1.00 0.00 N ATOM 204 C4 DC A 7 -0.753 2.411 19.780 1.00 0.00 C ATOM 205 N4 DC A 7 0.580 2.332 19.800 1.00 0.00 N ATOM 206 C5 DC A 7 -1.381 3.674 19.524 1.00 0.00 C ATOM 207 C6 DC A 7 -2.725 3.687 19.454 1.00 0.00 C ATOM 0 H5' DC A 7 -5.681 5.471 17.075 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.962 6.159 18.053 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.264 3.857 18.125 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.906 5.151 20.610 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.720 4.282 20.995 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.694 2.957 21.601 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.374 1.646 19.650 1.00 0.00 H new ATOM 0 H41 DC A 7 1.143 3.175 19.688 1.00 0.00 H new ATOM 0 H42 DC A 7 1.035 1.428 19.927 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.801 4.576 19.393 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.231 4.617 19.240 1.00 0.00 H new ATOM 219 P DG A 8 -8.633 3.318 21.756 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.005 2.809 21.532 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.427 4.569 22.519 1.00 0.00 O ATOM 222 O5' DG A 8 -7.775 2.153 22.456 1.00 0.00 O ATOM 223 C5' DG A 8 -7.710 0.855 21.899 1.00 0.00 C ATOM 224 C4' DG A 8 -6.783 -0.042 22.724 1.00 0.00 C ATOM 225 O4' DG A 8 -5.437 0.224 22.366 1.00 0.00 O ATOM 226 C3' DG A 8 -6.899 0.151 24.248 1.00 0.00 C ATOM 227 O3' DG A 8 -7.016 -1.092 24.910 1.00 0.00 O ATOM 228 C2' DG A 8 -5.568 0.804 24.598 1.00 0.00 C ATOM 229 C1' DG A 8 -4.671 0.169 23.546 1.00 0.00 C ATOM 230 N9 DG A 8 -3.368 0.849 23.385 1.00 0.00 N ATOM 231 C8 DG A 8 -3.078 2.190 23.352 1.00 0.00 C ATOM 232 N7 DG A 8 -1.814 2.452 23.156 1.00 0.00 N ATOM 233 C5 DG A 8 -1.220 1.196 23.051 1.00 0.00 C ATOM 234 C6 DG A 8 0.142 0.827 22.822 1.00 0.00 C ATOM 235 O6 DG A 8 1.113 1.565 22.671 1.00 0.00 O ATOM 236 N1 DG A 8 0.322 -0.555 22.775 1.00 0.00 N ATOM 237 C2 DG A 8 -0.692 -1.479 22.940 1.00 0.00 C ATOM 238 N2 DG A 8 -0.359 -2.771 22.880 1.00 0.00 N ATOM 239 N3 DG A 8 -1.972 -1.135 23.144 1.00 0.00 N ATOM 240 C4 DG A 8 -2.168 0.211 23.187 1.00 0.00 C ATOM 0 H5' DG A 8 -7.349 0.912 20.872 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.708 0.419 21.863 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.088 -1.064 22.499 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.773 0.732 24.542 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.603 1.890 24.514 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.246 0.573 25.613 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.086 -0.943 25.876 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.391 -0.846 23.829 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.827 2.958 23.477 1.00 0.00 H new ATOM 0 H1 DG A 8 1.265 -0.907 22.608 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.075 -3.488 22.996 1.00 0.00 H new ATOM 0 H22 DG A 8 0.611 -3.041 22.718 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 8.191 -6.062 24.005 1.00 0.00 O ATOM 255 C5' DC B 1 7.282 -7.144 23.966 1.00 0.00 C ATOM 256 C4' DC B 1 6.125 -6.887 22.991 1.00 0.00 C ATOM 257 O4' DC B 1 5.490 -5.647 23.272 1.00 0.00 O ATOM 258 C3' DC B 1 6.547 -6.792 21.515 1.00 0.00 C ATOM 259 O3' DC B 1 6.681 -7.995 20.760 1.00 0.00 O ATOM 260 C2' DC B 1 5.521 -5.795 20.925 1.00 0.00 C ATOM 261 C1' DC B 1 4.711 -5.307 22.139 1.00 0.00 C ATOM 262 N1 DC B 1 4.356 -3.862 22.073 1.00 0.00 N ATOM 263 C2 DC B 1 3.024 -3.433 22.117 1.00 0.00 C ATOM 264 O2 DC B 1 2.094 -4.227 22.234 1.00 0.00 O ATOM 265 N3 DC B 1 2.768 -2.092 22.025 1.00 0.00 N ATOM 266 C4 DC B 1 3.765 -1.202 21.887 1.00 0.00 C ATOM 267 N4 DC B 1 3.472 0.098 21.773 1.00 0.00 N ATOM 268 C5 DC B 1 5.138 -1.621 21.883 1.00 0.00 C ATOM 269 C6 DC B 1 5.364 -2.951 21.983 1.00 0.00 C ATOM 0 H5' DC B 1 6.882 -7.318 24.965 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.810 -8.051 23.671 1.00 0.00 H new ATOM 0 H4' DC B 1 5.472 -7.748 23.133 1.00 0.00 H new ATOM 0 H3' DC B 1 7.587 -6.471 21.454 1.00 0.00 H new ATOM 0 H2' DC B 1 6.018 -4.966 20.421 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.879 -6.277 20.188 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.741 -5.245 23.704 1.00 0.00 H new ATOM 0 H1' DC B 1 3.734 -5.789 22.178 1.00 0.00 H new ATOM 0 H41 DC B 1 4.221 0.782 21.668 1.00 0.00 H new ATOM 0 H42 DC B 1 2.499 0.405 21.791 1.00 0.00 H new ATOM 0 H5 DC B 1 5.948 -0.911 21.804 1.00 0.00 H new ATOM 0 H6 DC B 1 6.385 -3.304 21.992 1.00 0.00 H new ATOM 282 P DG B 2 5.605 -9.214 20.685 1.00 0.00 P ATOM 283 OP1 DG B 2 5.480 -9.809 22.035 1.00 0.00 O ATOM 284 OP2 DG B 2 6.021 -10.081 19.561 1.00 0.00 O ATOM 285 O5' DG B 2 4.184 -8.560 20.272 1.00 0.00 O ATOM 286 C5' DG B 2 3.040 -8.711 21.092 1.00 0.00 C ATOM 287 C4' DG B 2 1.757 -8.225 20.436 1.00 0.00 C ATOM 288 O4' DG B 2 1.695 -6.813 20.526 1.00 0.00 O ATOM 289 C3' DG B 2 1.596 -8.634 18.963 1.00 0.00 C ATOM 290 O3' DG B 2 0.300 -9.184 18.842 1.00 0.00 O ATOM 291 C2' DG B 2 1.839 -7.275 18.307 1.00 0.00 C ATOM 292 C1' DG B 2 1.162 -6.357 19.312 1.00 0.00 C ATOM 293 N9 DG B 2 1.481 -4.929 19.086 1.00 0.00 N ATOM 294 C8 DG B 2 2.665 -4.388 18.657 1.00 0.00 C ATOM 295 N7 DG B 2 2.713 -3.088 18.704 1.00 0.00 N ATOM 296 C5 DG B 2 1.450 -2.731 19.160 1.00 0.00 C ATOM 297 C6 DG B 2 0.905 -1.439 19.419 1.00 0.00 C ATOM 298 O6 DG B 2 1.492 -0.361 19.413 1.00 0.00 O ATOM 299 N1 DG B 2 -0.456 -1.483 19.707 1.00 0.00 N ATOM 300 C2 DG B 2 -1.184 -2.651 19.845 1.00 0.00 C ATOM 301 N2 DG B 2 -2.484 -2.526 20.130 1.00 0.00 N ATOM 302 N3 DG B 2 -0.645 -3.875 19.706 1.00 0.00 N ATOM 303 C4 DG B 2 0.669 -3.848 19.348 1.00 0.00 C ATOM 0 H5' DG B 2 3.194 -8.163 22.022 1.00 0.00 H new ATOM 0 H5'' DG B 2 2.928 -9.762 21.356 1.00 0.00 H new ATOM 0 H4' DG B 2 0.943 -8.707 20.978 1.00 0.00 H new ATOM 0 H3' DG B 2 2.243 -9.393 18.524 1.00 0.00 H new ATOM 0 H2' DG B 2 2.900 -7.054 18.193 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.391 -7.207 17.316 1.00 0.00 H new ATOM 0 H1' DG B 2 0.074 -6.394 19.258 1.00 0.00 H new ATOM 0 H8 DG B 2 3.491 -4.991 18.309 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.948 -0.597 19.824 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.064 -3.358 20.242 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.896 -1.599 20.236 1.00 0.00 H new ATOM 315 P DC B 3 -0.431 -9.439 17.438 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.212 -10.693 17.533 1.00 0.00 O ATOM 317 OP2 DC B 3 0.527 -9.243 16.328 1.00 0.00 O ATOM 318 O5' DC B 3 -1.443 -8.193 17.486 1.00 0.00 O ATOM 319 C5' DC B 3 -2.470 -8.132 18.460 1.00 0.00 C ATOM 320 C4' DC B 3 -3.414 -6.977 18.136 1.00 0.00 C ATOM 321 O4' DC B 3 -2.732 -5.744 18.230 1.00 0.00 O ATOM 322 C3' DC B 3 -4.026 -7.105 16.733 1.00 0.00 C ATOM 323 O3' DC B 3 -5.438 -7.127 16.858 1.00 0.00 O ATOM 324 C2' DC B 3 -3.468 -5.893 16.007 1.00 0.00 C ATOM 325 C1' DC B 3 -3.091 -4.936 17.130 1.00 0.00 C ATOM 326 N1 DC B 3 -1.903 -4.146 16.730 1.00 0.00 N ATOM 327 C2 DC B 3 -1.967 -2.756 16.661 1.00 0.00 C ATOM 328 O2 DC B 3 -3.006 -2.144 16.898 1.00 0.00 O ATOM 329 N3 DC B 3 -0.833 -2.079 16.321 1.00 0.00 N ATOM 330 C4 DC B 3 0.309 -2.718 16.029 1.00 0.00 C ATOM 331 N4 DC B 3 1.401 -2.001 15.752 1.00 0.00 N ATOM 332 C5 DC B 3 0.377 -4.149 16.048 1.00 0.00 C ATOM 333 C6 DC B 3 -0.738 -4.804 16.428 1.00 0.00 C ATOM 0 H5' DC B 3 -2.038 -7.995 19.451 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.022 -9.072 18.481 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.223 -7.015 18.866 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.784 -8.014 16.183 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.603 -6.155 15.398 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.207 -5.453 15.338 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.912 -4.258 17.362 1.00 0.00 H new ATOM 0 H41 DC B 3 2.277 -2.472 15.528 1.00 0.00 H new ATOM 0 H42 DC B 3 1.359 -0.982 15.764 1.00 0.00 H new ATOM 0 H5 DC B 3 1.278 -4.677 15.771 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.713 -5.882 16.497 1.00 0.00 H new ATOM 345 P DT B 4 -6.432 -7.182 15.588 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.773 -7.580 16.070 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.777 -7.952 14.507 1.00 0.00 O ATOM 348 O5' DT B 4 -6.493 -5.635 15.144 1.00 0.00 O ATOM 349 C5' DT B 4 -6.895 -4.626 16.051 1.00 0.00 C ATOM 350 C4' DT B 4 -6.922 -3.255 15.373 1.00 0.00 C ATOM 351 O4' DT B 4 -5.598 -2.789 15.183 1.00 0.00 O ATOM 352 C3' DT B 4 -7.639 -3.271 14.020 1.00 0.00 C ATOM 353 O3' DT B 4 -8.722 -2.357 14.038 1.00 0.00 O ATOM 354 C2' DT B 4 -6.522 -2.902 13.043 1.00 0.00 C ATOM 355 C1' DT B 4 -5.496 -2.177 13.915 1.00 0.00 C ATOM 356 N1 DT B 4 -4.080 -2.297 13.457 1.00 0.00 N ATOM 357 C2 DT B 4 -3.288 -1.148 13.455 1.00 0.00 C ATOM 358 O2 DT B 4 -3.739 -0.014 13.596 1.00 0.00 O ATOM 359 N3 DT B 4 -1.926 -1.340 13.280 1.00 0.00 N ATOM 360 C4 DT B 4 -1.281 -2.554 13.107 1.00 0.00 C ATOM 361 O4 DT B 4 -0.062 -2.580 12.951 1.00 0.00 O ATOM 362 C5 DT B 4 -2.164 -3.708 13.134 1.00 0.00 C ATOM 363 C7 DT B 4 -1.581 -5.112 13.044 1.00 0.00 C ATOM 364 C6 DT B 4 -3.503 -3.538 13.294 1.00 0.00 C ATOM 0 H5' DT B 4 -6.211 -4.602 16.900 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.884 -4.860 16.445 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.479 -2.591 16.034 1.00 0.00 H new ATOM 0 H3' DT B 4 -8.099 -4.221 13.747 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.093 -3.787 12.574 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.888 -2.262 12.241 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.718 -1.110 13.892 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.341 -0.505 13.278 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.223 -5.808 13.584 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.518 -5.413 11.998 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.584 -5.121 13.485 1.00 0.00 H new ATOM 0 H6 DT B 4 -4.140 -4.410 13.293 1.00 0.00 H new ATOM 377 P DA B 5 -9.605 -2.032 12.724 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.919 -1.510 13.160 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.536 -3.185 11.799 1.00 0.00 O ATOM 380 O5' DA B 5 -8.753 -0.815 12.094 1.00 0.00 O ATOM 381 C5' DA B 5 -8.601 0.385 12.820 1.00 0.00 C ATOM 382 C4' DA B 5 -7.812 1.454 12.085 1.00 0.00 C ATOM 383 O4' DA B 5 -6.437 1.141 12.028 1.00 0.00 O ATOM 384 C3' DA B 5 -8.330 1.660 10.659 1.00 0.00 C ATOM 385 O3' DA B 5 -8.690 3.021 10.570 1.00 0.00 O ATOM 386 C2' DA B 5 -7.171 1.131 9.831 1.00 0.00 C ATOM 387 C1' DA B 5 -5.979 1.429 10.725 1.00 0.00 C ATOM 388 N9 DA B 5 -4.813 0.568 10.461 1.00 0.00 N ATOM 389 C8 DA B 5 -4.771 -0.795 10.358 1.00 0.00 C ATOM 390 N7 DA B 5 -3.567 -1.294 10.275 1.00 0.00 N ATOM 391 C5 DA B 5 -2.747 -0.169 10.319 1.00 0.00 C ATOM 392 C6 DA B 5 -1.348 0.020 10.274 1.00 0.00 C ATOM 393 N6 DA B 5 -0.474 -0.992 10.218 1.00 0.00 N ATOM 394 N1 DA B 5 -0.875 1.283 10.284 1.00 0.00 N ATOM 395 C2 DA B 5 -1.735 2.296 10.376 1.00 0.00 C ATOM 396 N3 DA B 5 -3.056 2.249 10.480 1.00 0.00 N ATOM 397 C4 DA B 5 -3.505 0.970 10.436 1.00 0.00 C ATOM 0 H5' DA B 5 -8.104 0.166 13.765 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.588 0.779 13.063 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.947 2.375 12.652 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.229 1.148 10.315 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.270 0.065 9.625 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.094 1.636 8.868 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.648 2.455 10.562 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.660 -1.408 10.346 1.00 0.00 H new ATOM 0 H61 DA B 5 0.527 -0.800 10.187 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.809 -1.955 10.206 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.300 3.284 10.364 1.00 0.00 H new ATOM 409 P DG B 6 -9.271 3.681 9.235 1.00 0.00 P ATOM 410 OP1 DG B 6 -10.146 4.818 9.597 1.00 0.00 O ATOM 411 OP2 DG B 6 -9.753 2.621 8.320 1.00 0.00 O ATOM 412 O5' DG B 6 -7.882 4.242 8.697 1.00 0.00 O ATOM 413 C5' DG B 6 -7.197 5.274 9.378 1.00 0.00 C ATOM 414 C4' DG B 6 -5.867 5.500 8.669 1.00 0.00 C ATOM 415 O4' DG B 6 -4.981 4.405 8.916 1.00 0.00 O ATOM 416 C3' DG B 6 -6.108 5.591 7.152 1.00 0.00 C ATOM 417 O3' DG B 6 -5.588 6.779 6.596 1.00 0.00 O ATOM 418 C2' DG B 6 -5.419 4.318 6.705 1.00 0.00 C ATOM 419 C1' DG B 6 -4.300 4.161 7.705 1.00 0.00 C ATOM 420 N9 DG B 6 -3.664 2.833 7.539 1.00 0.00 N ATOM 421 C8 DG B 6 -4.243 1.591 7.424 1.00 0.00 C ATOM 422 N7 DG B 6 -3.398 0.618 7.244 1.00 0.00 N ATOM 423 C5 DG B 6 -2.167 1.257 7.212 1.00 0.00 C ATOM 424 C6 DG B 6 -0.863 0.709 7.054 1.00 0.00 C ATOM 425 O6 DG B 6 -0.558 -0.475 6.967 1.00 0.00 O ATOM 426 N1 DG B 6 0.121 1.691 7.002 1.00 0.00 N ATOM 427 C2 DG B 6 -0.117 3.047 7.109 1.00 0.00 C ATOM 428 N2 DG B 6 0.937 3.864 7.007 1.00 0.00 N ATOM 429 N3 DG B 6 -1.343 3.561 7.291 1.00 0.00 N ATOM 430 C4 DG B 6 -2.322 2.616 7.336 1.00 0.00 C ATOM 0 H5' DG B 6 -7.032 5.000 10.420 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.789 6.189 9.379 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.425 6.423 9.045 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.150 5.652 6.837 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.098 3.465 6.723 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.040 4.402 5.687 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.443 4.828 7.615 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.310 1.436 7.479 1.00 0.00 H new ATOM 0 H1 DG B 6 1.087 1.388 6.876 1.00 0.00 H new ATOM 0 H21 DG B 6 0.809 4.873 7.080 1.00 0.00 H new ATOM 0 H22 DG B 6 1.869 3.478 6.856 1.00 0.00 H new ATOM 442 P DC B 7 -5.661 7.084 5.008 1.00 0.00 P ATOM 443 OP1 DC B 7 -5.905 8.531 4.818 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.542 6.093 4.349 1.00 0.00 O ATOM 445 O5' DC B 7 -4.137 6.762 4.606 1.00 0.00 O ATOM 446 C5' DC B 7 -3.103 7.435 5.287 1.00 0.00 C ATOM 447 C4' DC B 7 -1.718 7.240 4.684 1.00 0.00 C ATOM 448 O4' DC B 7 -1.240 5.941 4.966 1.00 0.00 O ATOM 449 C3' DC B 7 -1.678 7.515 3.185 1.00 0.00 C ATOM 450 O3' DC B 7 -0.574 8.362 2.908 1.00 0.00 O ATOM 451 C2' DC B 7 -1.545 6.101 2.668 1.00 0.00 C ATOM 452 C1' DC B 7 -0.800 5.352 3.767 1.00 0.00 C ATOM 453 N1 DC B 7 -1.191 3.919 3.792 1.00 0.00 N ATOM 454 C2 DC B 7 -0.227 2.911 3.694 1.00 0.00 C ATOM 455 O2 DC B 7 0.962 3.170 3.521 1.00 0.00 O ATOM 456 N3 DC B 7 -0.638 1.612 3.795 1.00 0.00 N ATOM 457 C4 DC B 7 -1.932 1.305 3.986 1.00 0.00 C ATOM 458 N4 DC B 7 -2.285 0.023 4.114 1.00 0.00 N ATOM 459 C5 DC B 7 -2.926 2.329 4.127 1.00 0.00 C ATOM 460 C6 DC B 7 -2.505 3.604 4.030 1.00 0.00 C ATOM 0 H5' DC B 7 -3.086 7.095 6.322 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.331 8.501 5.305 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.063 7.975 5.151 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.523 8.037 2.736 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.522 5.656 2.478 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.994 6.074 1.728 1.00 0.00 H new ATOM 0 H1' DC B 7 0.278 5.407 3.617 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.264 -0.224 4.259 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.576 -0.708 4.066 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.964 2.088 4.303 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.223 4.403 4.143 1.00 0.00 H new ATOM 472 P DG B 8 -0.253 8.927 1.430 1.00 0.00 P ATOM 473 OP1 DG B 8 0.691 10.059 1.561 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.527 9.111 0.701 1.00 0.00 O ATOM 475 O5' DG B 8 0.534 7.691 0.767 1.00 0.00 O ATOM 476 C5' DG B 8 1.762 7.235 1.298 1.00 0.00 C ATOM 477 C4' DG B 8 2.264 6.013 0.525 1.00 0.00 C ATOM 478 O4' DG B 8 1.582 4.860 0.989 1.00 0.00 O ATOM 479 C3' DG B 8 2.050 6.094 -0.999 1.00 0.00 C ATOM 480 O3' DG B 8 3.217 5.709 -1.696 1.00 0.00 O ATOM 481 C2' DG B 8 0.948 5.064 -1.221 1.00 0.00 C ATOM 482 C1' DG B 8 1.305 4.060 -0.135 1.00 0.00 C ATOM 483 N9 DG B 8 0.248 3.066 0.150 1.00 0.00 N ATOM 484 C8 DG B 8 -1.114 3.224 0.221 1.00 0.00 C ATOM 485 N7 DG B 8 -1.757 2.132 0.534 1.00 0.00 N ATOM 486 C5 DG B 8 -0.753 1.178 0.685 1.00 0.00 C ATOM 487 C6 DG B 8 -0.829 -0.206 1.036 1.00 0.00 C ATOM 488 O6 DG B 8 -1.830 -0.876 1.274 1.00 0.00 O ATOM 489 N1 DG B 8 0.427 -0.810 1.101 1.00 0.00 N ATOM 490 C2 DG B 8 1.618 -0.159 0.845 1.00 0.00 C ATOM 491 N2 DG B 8 2.742 -0.876 0.930 1.00 0.00 N ATOM 492 N3 DG B 8 1.692 1.139 0.522 1.00 0.00 N ATOM 493 C4 DG B 8 0.477 1.748 0.460 1.00 0.00 C ATOM 0 H5' DG B 8 1.637 6.980 2.350 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.504 8.032 1.249 1.00 0.00 H new ATOM 0 H4' DG B 8 3.339 5.970 0.703 1.00 0.00 H new ATOM 0 H3' DG B 8 1.807 7.097 -1.350 1.00 0.00 H new ATOM 0 H2' DG B 8 -0.049 5.485 -1.089 1.00 0.00 H new ATOM 0 H2'' DG B 8 0.980 4.628 -2.219 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.056 5.767 -2.661 1.00 0.00 H new ATOM 0 H1' DG B 8 2.145 3.439 -0.445 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.608 4.166 0.035 1.00 0.00 H new ATOM 0 H1 DG B 8 0.468 -1.797 1.354 1.00 0.00 H new ATOM 0 H21 DG B 8 3.643 -0.435 0.749 1.00 0.00 H new ATOM 0 H22 DG B 8 2.699 -1.865 1.176 1.00 0.00 H new TER 506 DG B 8