USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 DA O5' : rot 24:sc= 0.0085 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.0528 (180deg=-0.0528) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 32:sc= 0.011 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.432 7.602 -13.262 1.00 10.00 O ATOM 2 C5' DA A 1 -4.834 7.766 -13.279 1.00 10.00 C ATOM 3 C4' DA A 1 -5.506 6.784 -12.315 1.00 10.00 C ATOM 4 O4' DA A 1 -5.150 5.448 -12.629 1.00 10.00 O ATOM 5 C3' DA A 1 -5.081 6.980 -10.861 1.00 10.00 C ATOM 6 O3' DA A 1 -5.837 8.004 -10.239 1.00 10.00 O ATOM 7 C2' DA A 1 -5.356 5.600 -10.273 1.00 10.00 C ATOM 8 C1' DA A 1 -5.331 4.650 -11.469 1.00 10.00 C ATOM 9 N9 DA A 1 -4.248 3.662 -11.333 1.00 10.00 N ATOM 10 C8 DA A 1 -2.931 3.843 -11.621 1.00 10.00 C ATOM 11 N7 DA A 1 -2.191 2.778 -11.484 1.00 10.00 N ATOM 12 C5 DA A 1 -3.096 1.816 -11.043 1.00 10.00 C ATOM 13 C6 DA A 1 -2.967 0.451 -10.706 1.00 10.00 C ATOM 14 N6 DA A 1 -1.814 -0.222 -10.807 1.00 10.00 N ATOM 15 N1 DA A 1 -4.057 -0.199 -10.257 1.00 10.00 N ATOM 16 C2 DA A 1 -5.212 0.455 -10.158 1.00 10.00 C ATOM 17 N3 DA A 1 -5.468 1.725 -10.461 1.00 10.00 N ATOM 18 C4 DA A 1 -4.351 2.360 -10.907 1.00 10.00 C ATOM 0 H5' DA A 1 -5.211 7.607 -14.289 1.00 10.00 H new ATOM 0 H5'' DA A 1 -5.089 8.789 -13.001 1.00 10.00 H new ATOM 0 H4' DA A 1 -6.573 6.974 -12.426 1.00 10.00 H new ATOM 0 H3' DA A 1 -4.048 7.303 -10.729 1.00 10.00 H new ATOM 0 H2' DA A 1 -4.601 5.327 -9.536 1.00 10.00 H new ATOM 0 H2'' DA A 1 -6.321 5.572 -9.766 1.00 10.00 H new ATOM 0 HO5' DA A 1 -3.212 6.695 -12.963 1.00 10.00 H new ATOM 0 H1' DA A 1 -6.262 4.086 -11.533 1.00 10.00 H new ATOM 0 H8 DA A 1 -2.530 4.794 -11.938 1.00 10.00 H new ATOM 0 H61 DA A 1 -1.775 -1.208 -10.550 1.00 10.00 H new ATOM 0 H62 DA A 1 -0.975 0.252 -11.141 1.00 10.00 H new ATOM 0 H2 DA A 1 -6.048 -0.118 -9.784 1.00 10.00 H new ATOM 31 P DT A 2 -5.442 8.595 -8.786 1.00 10.00 P ATOM 32 OP1 DT A 2 -6.357 9.719 -8.486 1.00 10.00 O ATOM 33 OP2 DT A 2 -3.979 8.817 -8.765 1.00 10.00 O ATOM 34 O5' DT A 2 -5.776 7.385 -7.774 1.00 10.00 O ATOM 35 C5' DT A 2 -7.097 7.109 -7.341 1.00 10.00 C ATOM 36 C4' DT A 2 -7.100 5.815 -6.520 1.00 10.00 C ATOM 37 O4' DT A 2 -6.514 4.768 -7.269 1.00 10.00 O ATOM 38 C3' DT A 2 -6.283 5.937 -5.231 1.00 10.00 C ATOM 39 O3' DT A 2 -7.127 6.304 -4.151 1.00 10.00 O ATOM 40 C2' DT A 2 -5.666 4.551 -5.069 1.00 10.00 C ATOM 41 C1' DT A 2 -5.967 3.815 -6.377 1.00 10.00 C ATOM 42 N1 DT A 2 -4.721 3.255 -6.953 1.00 10.00 N ATOM 43 C2 DT A 2 -4.564 1.875 -7.062 1.00 10.00 C ATOM 44 O2 DT A 2 -5.431 1.066 -6.739 1.00 10.00 O ATOM 45 N3 DT A 2 -3.343 1.441 -7.560 1.00 10.00 N ATOM 46 C4 DT A 2 -2.284 2.251 -7.948 1.00 10.00 C ATOM 47 O4 DT A 2 -1.232 1.740 -8.324 1.00 10.00 O ATOM 48 C5 DT A 2 -2.549 3.676 -7.841 1.00 10.00 C ATOM 49 C7 DT A 2 -1.510 4.689 -8.280 1.00 10.00 C ATOM 50 C6 DT A 2 -3.730 4.116 -7.342 1.00 10.00 C ATOM 0 H5' DT A 2 -7.760 7.010 -8.200 1.00 10.00 H new ATOM 0 H5'' DT A 2 -7.475 7.936 -6.740 1.00 10.00 H new ATOM 0 H4' DT A 2 -8.143 5.613 -6.275 1.00 10.00 H new ATOM 0 H3' DT A 2 -5.515 6.710 -5.258 1.00 10.00 H new ATOM 0 H2' DT A 2 -4.592 4.617 -4.894 1.00 10.00 H new ATOM 0 H2'' DT A 2 -6.096 4.027 -4.216 1.00 10.00 H new ATOM 0 H1' DT A 2 -6.658 2.990 -6.202 1.00 10.00 H new ATOM 0 H3 DT A 2 -3.212 0.433 -7.649 1.00 10.00 H new ATOM 0 H71 DT A 2 -2.008 5.593 -8.631 1.00 10.00 H new ATOM 0 H72 DT A 2 -0.863 4.935 -7.438 1.00 10.00 H new ATOM 0 H73 DT A 2 -0.911 4.269 -9.088 1.00 10.00 H new ATOM 0 H6 DT A 2 -3.894 5.179 -7.248 1.00 10.00 H new ATOM 63 P DG A 3 -6.572 6.546 -2.650 1.00 10.00 P ATOM 64 OP1 DG A 3 -7.471 7.515 -1.984 1.00 10.00 O ATOM 65 OP2 DG A 3 -5.122 6.831 -2.728 1.00 10.00 O ATOM 66 O5' DG A 3 -6.753 5.117 -1.918 1.00 10.00 O ATOM 67 C5' DG A 3 -8.029 4.550 -1.675 1.00 10.00 C ATOM 68 C4' DG A 3 -7.902 3.326 -0.758 1.00 10.00 C ATOM 69 O4' DG A 3 -6.805 2.498 -1.132 1.00 10.00 O ATOM 70 C3' DG A 3 -7.696 3.739 0.701 1.00 10.00 C ATOM 71 O3' DG A 3 -8.468 2.863 1.507 1.00 10.00 O ATOM 72 C2' DG A 3 -6.193 3.570 0.878 1.00 10.00 C ATOM 73 C1' DG A 3 -5.886 2.397 -0.052 1.00 10.00 C ATOM 74 N9 DG A 3 -4.496 2.411 -0.571 1.00 10.00 N ATOM 75 C8 DG A 3 -3.791 3.463 -1.102 1.00 10.00 C ATOM 76 N7 DG A 3 -2.572 3.167 -1.459 1.00 10.00 N ATOM 77 C5 DG A 3 -2.460 1.813 -1.170 1.00 10.00 C ATOM 78 C6 DG A 3 -1.349 0.931 -1.334 1.00 10.00 C ATOM 79 O6 DG A 3 -0.229 1.201 -1.760 1.00 10.00 O ATOM 80 N1 DG A 3 -1.643 -0.376 -0.956 1.00 10.00 N ATOM 81 C2 DG A 3 -2.867 -0.783 -0.455 1.00 10.00 C ATOM 82 N2 DG A 3 -2.993 -2.073 -0.130 1.00 10.00 N ATOM 83 N3 DG A 3 -3.902 0.053 -0.268 1.00 10.00 N ATOM 84 C4 DG A 3 -3.640 1.334 -0.647 1.00 10.00 C ATOM 0 H5' DG A 3 -8.491 4.260 -2.619 1.00 10.00 H new ATOM 0 H5'' DG A 3 -8.682 5.291 -1.215 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.836 2.774 -0.864 1.00 10.00 H new ATOM 0 H3' DG A 3 -8.007 4.748 0.973 1.00 10.00 H new ATOM 0 H2' DG A 3 -5.646 4.469 0.593 1.00 10.00 H new ATOM 0 H2'' DG A 3 -5.927 3.350 1.912 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.985 1.462 0.500 1.00 10.00 H new ATOM 0 H8 DG A 3 -4.210 4.452 -1.214 1.00 10.00 H new ATOM 0 H1 DG A 3 -0.910 -1.078 -1.055 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.876 -2.421 0.243 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.206 -2.710 -0.255 1.00 10.00 H new ATOM 96 P DC A 4 -8.589 3.024 3.108 1.00 10.00 P ATOM 97 OP1 DC A 4 -9.969 2.668 3.507 1.00 10.00 O ATOM 98 OP2 DC A 4 -8.021 4.332 3.501 1.00 10.00 O ATOM 99 O5' DC A 4 -7.597 1.867 3.622 1.00 10.00 O ATOM 100 C5' DC A 4 -7.973 0.502 3.597 1.00 10.00 C ATOM 101 C4' DC A 4 -6.760 -0.361 3.952 1.00 10.00 C ATOM 102 O4' DC A 4 -5.738 -0.108 3.011 1.00 10.00 O ATOM 103 C3' DC A 4 -6.191 -0.035 5.339 1.00 10.00 C ATOM 104 O3' DC A 4 -6.541 -1.045 6.274 1.00 10.00 O ATOM 105 C2' DC A 4 -4.688 0.043 5.103 1.00 10.00 C ATOM 106 C1' DC A 4 -4.499 -0.353 3.637 1.00 10.00 C ATOM 107 N1 DC A 4 -3.462 0.504 3.014 1.00 10.00 N ATOM 108 C2 DC A 4 -2.241 -0.041 2.615 1.00 10.00 C ATOM 109 O2 DC A 4 -1.986 -1.232 2.776 1.00 10.00 O ATOM 110 N3 DC A 4 -1.323 0.787 2.035 1.00 10.00 N ATOM 111 C4 DC A 4 -1.574 2.096 1.873 1.00 10.00 C ATOM 112 N4 DC A 4 -0.651 2.856 1.277 1.00 10.00 N ATOM 113 C5 DC A 4 -2.817 2.674 2.300 1.00 10.00 C ATOM 114 C6 DC A 4 -3.718 1.841 2.860 1.00 10.00 C ATOM 0 H5' DC A 4 -8.348 0.234 2.609 1.00 10.00 H new ATOM 0 H5'' DC A 4 -8.782 0.322 4.305 1.00 10.00 H new ATOM 0 H4' DC A 4 -7.089 -1.400 3.946 1.00 10.00 H new ATOM 0 H3' DC A 4 -6.582 0.890 5.763 1.00 10.00 H new ATOM 0 H2' DC A 4 -4.310 1.047 5.293 1.00 10.00 H new ATOM 0 H2'' DC A 4 -4.148 -0.632 5.767 1.00 10.00 H new ATOM 0 H1' DC A 4 -4.187 -1.393 3.541 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.820 3.853 1.143 1.00 10.00 H new ATOM 0 H42 DC A 4 0.223 2.439 0.956 1.00 10.00 H new ATOM 0 H5 DC A 4 -3.021 3.728 2.178 1.00 10.00 H new ATOM 0 H6 DC A 4 -4.665 2.238 3.195 1.00 10.00 H new ATOM 126 P DA A 5 -6.393 -0.839 7.876 1.00 10.00 P ATOM 127 OP1 DA A 5 -7.193 -1.895 8.536 1.00 10.00 O ATOM 128 OP2 DA A 5 -6.671 0.580 8.188 1.00 10.00 O ATOM 129 O5' DA A 5 -4.834 -1.117 8.208 1.00 10.00 O ATOM 130 C5' DA A 5 -4.282 -2.421 8.174 1.00 10.00 C ATOM 131 C4' DA A 5 -2.869 -2.422 8.771 1.00 10.00 C ATOM 132 O4' DA A 5 -2.022 -1.480 8.129 1.00 10.00 O ATOM 133 C3' DA A 5 -2.866 -2.083 10.270 1.00 10.00 C ATOM 134 O3' DA A 5 -2.599 -3.256 11.021 1.00 10.00 O ATOM 135 C2' DA A 5 -1.778 -1.011 10.391 1.00 10.00 C ATOM 136 C1' DA A 5 -1.031 -1.093 9.063 1.00 10.00 C ATOM 137 N9 DA A 5 -0.418 0.198 8.691 1.00 10.00 N ATOM 138 C8 DA A 5 -1.059 1.394 8.545 1.00 10.00 C ATOM 139 N7 DA A 5 -0.312 2.361 8.093 1.00 10.00 N ATOM 140 C5 DA A 5 0.928 1.755 7.923 1.00 10.00 C ATOM 141 C6 DA A 5 2.158 2.220 7.413 1.00 10.00 C ATOM 142 N6 DA A 5 2.325 3.469 6.964 1.00 10.00 N ATOM 143 N1 DA A 5 3.195 1.363 7.358 1.00 10.00 N ATOM 144 C2 DA A 5 3.022 0.113 7.784 1.00 10.00 C ATOM 145 N3 DA A 5 1.918 -0.448 8.274 1.00 10.00 N ATOM 146 C4 DA A 5 0.885 0.438 8.313 1.00 10.00 C ATOM 0 H5' DA A 5 -4.249 -2.782 7.146 1.00 10.00 H new ATOM 0 H5'' DA A 5 -4.919 -3.107 8.732 1.00 10.00 H new ATOM 0 H4' DA A 5 -2.499 -3.436 8.617 1.00 10.00 H new ATOM 0 H3' DA A 5 -3.815 -1.714 10.659 1.00 10.00 H new ATOM 0 H2' DA A 5 -2.208 -0.022 10.547 1.00 10.00 H new ATOM 0 H2'' DA A 5 -1.116 -1.207 11.234 1.00 10.00 H new ATOM 0 H1' DA A 5 -0.199 -1.796 9.107 1.00 10.00 H new ATOM 0 H8 DA A 5 -2.103 1.528 8.785 1.00 10.00 H new ATOM 0 H61 DA A 5 3.232 3.764 6.603 1.00 10.00 H new ATOM 0 H62 DA A 5 1.545 4.126 6.983 1.00 10.00 H new ATOM 0 H2 DA A 5 3.889 -0.528 7.724 1.00 10.00 H new ATOM 158 P DT A 6 -2.585 -3.272 12.640 1.00 10.00 P ATOM 159 OP1 DT A 6 -2.804 -4.664 13.092 1.00 10.00 O ATOM 160 OP2 DT A 6 -3.464 -2.190 13.136 1.00 10.00 O ATOM 161 O5' DT A 6 -1.061 -2.873 12.971 1.00 10.00 O ATOM 162 C5' DT A 6 0.003 -3.751 12.664 1.00 10.00 C ATOM 163 C4' DT A 6 1.355 -3.049 12.803 1.00 10.00 C ATOM 164 O4' DT A 6 1.497 -2.029 11.833 1.00 10.00 O ATOM 165 C3' DT A 6 1.574 -2.342 14.140 1.00 10.00 C ATOM 166 O3' DT A 6 2.100 -3.219 15.114 1.00 10.00 O ATOM 167 C2' DT A 6 2.568 -1.237 13.781 1.00 10.00 C ATOM 168 C1' DT A 6 2.571 -1.205 12.246 1.00 10.00 C ATOM 169 N1 DT A 6 2.399 0.176 11.720 1.00 10.00 N ATOM 170 C2 DT A 6 3.448 0.759 11.009 1.00 10.00 C ATOM 171 O2 DT A 6 4.511 0.188 10.778 1.00 10.00 O ATOM 172 N3 DT A 6 3.235 2.052 10.557 1.00 10.00 N ATOM 173 C4 DT A 6 2.090 2.810 10.747 1.00 10.00 C ATOM 174 O4 DT A 6 2.024 3.945 10.280 1.00 10.00 O ATOM 175 C5 DT A 6 1.049 2.136 11.503 1.00 10.00 C ATOM 176 C7 DT A 6 -0.245 2.868 11.801 1.00 10.00 C ATOM 177 C6 DT A 6 1.234 0.869 11.955 1.00 10.00 C ATOM 0 H5' DT A 6 -0.113 -4.126 11.647 1.00 10.00 H new ATOM 0 H5'' DT A 6 -0.031 -4.615 13.328 1.00 10.00 H new ATOM 0 H4' DT A 6 2.073 -3.862 12.693 1.00 10.00 H new ATOM 0 H3' DT A 6 0.652 -1.963 14.581 1.00 10.00 H new ATOM 0 H2' DT A 6 2.262 -0.277 14.197 1.00 10.00 H new ATOM 0 H2'' DT A 6 3.561 -1.453 14.175 1.00 10.00 H new ATOM 0 HO3' DT A 6 2.229 -2.734 15.956 1.00 10.00 H new ATOM 0 H1' DT A 6 3.527 -1.560 11.860 1.00 10.00 H new ATOM 0 H3 DT A 6 3.994 2.488 10.034 1.00 10.00 H new ATOM 0 H71 DT A 6 -1.062 2.150 11.868 1.00 10.00 H new ATOM 0 H72 DT A 6 -0.152 3.401 12.747 1.00 10.00 H new ATOM 0 H73 DT A 6 -0.453 3.580 11.002 1.00 10.00 H new ATOM 0 H6 DT A 6 0.444 0.391 12.515 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 11.992 7.666 6.530 1.00 10.00 O ATOM 193 C5' DA B 1 12.940 6.676 6.868 1.00 10.00 C ATOM 194 C4' DA B 1 12.283 5.294 6.920 1.00 10.00 C ATOM 195 O4' DA B 1 11.199 5.286 7.833 1.00 10.00 O ATOM 196 C3' DA B 1 11.686 4.859 5.584 1.00 10.00 C ATOM 197 O3' DA B 1 12.673 4.289 4.741 1.00 10.00 O ATOM 198 C2' DA B 1 10.633 3.851 6.034 1.00 10.00 C ATOM 199 C1' DA B 1 10.322 4.226 7.482 1.00 10.00 C ATOM 200 N9 DA B 1 8.915 4.634 7.634 1.00 10.00 N ATOM 201 C8 DA B 1 8.378 5.850 7.342 1.00 10.00 C ATOM 202 N7 DA B 1 7.115 5.975 7.640 1.00 10.00 N ATOM 203 C5 DA B 1 6.785 4.726 8.157 1.00 10.00 C ATOM 204 C6 DA B 1 5.588 4.181 8.671 1.00 10.00 C ATOM 205 N6 DA B 1 4.454 4.884 8.781 1.00 10.00 N ATOM 206 N1 DA B 1 5.590 2.892 9.059 1.00 10.00 N ATOM 207 C2 DA B 1 6.713 2.183 8.958 1.00 10.00 C ATOM 208 N3 DA B 1 7.901 2.581 8.511 1.00 10.00 N ATOM 209 C4 DA B 1 7.871 3.885 8.122 1.00 10.00 C ATOM 0 H5' DA B 1 13.387 6.908 7.835 1.00 10.00 H new ATOM 0 H5'' DA B 1 13.747 6.673 6.136 1.00 10.00 H new ATOM 0 H4' DA B 1 13.086 4.618 7.213 1.00 10.00 H new ATOM 0 H3' DA B 1 11.272 5.670 4.984 1.00 10.00 H new ATOM 0 H2' DA B 1 9.740 3.908 5.411 1.00 10.00 H new ATOM 0 H2'' DA B 1 11.008 2.830 5.962 1.00 10.00 H new ATOM 0 HO5' DA B 1 11.114 7.413 6.884 1.00 10.00 H new ATOM 0 H1' DA B 1 10.470 3.369 8.140 1.00 10.00 H new ATOM 0 H8 DA B 1 8.953 6.649 6.898 1.00 10.00 H new ATOM 0 H61 DA B 1 3.615 4.443 9.159 1.00 10.00 H new ATOM 0 H62 DA B 1 4.429 5.860 8.487 1.00 10.00 H new ATOM 0 H2 DA B 1 6.651 1.154 9.280 1.00 10.00 H new ATOM 222 P DT B 2 12.383 3.969 3.183 1.00 10.00 P ATOM 223 OP1 DT B 2 13.648 3.510 2.568 1.00 10.00 O ATOM 224 OP2 DT B 2 11.665 5.125 2.601 1.00 10.00 O ATOM 225 O5' DT B 2 11.362 2.723 3.230 1.00 10.00 O ATOM 226 C5' DT B 2 11.803 1.399 3.471 1.00 10.00 C ATOM 227 C4' DT B 2 10.585 0.480 3.615 1.00 10.00 C ATOM 228 O4' DT B 2 9.725 0.980 4.621 1.00 10.00 O ATOM 229 C3' DT B 2 9.756 0.397 2.331 1.00 10.00 C ATOM 230 O3' DT B 2 10.160 -0.727 1.565 1.00 10.00 O ATOM 231 C2' DT B 2 8.323 0.289 2.844 1.00 10.00 C ATOM 232 C1' DT B 2 8.404 0.555 4.350 1.00 10.00 C ATOM 233 N1 DT B 2 7.455 1.625 4.740 1.00 10.00 N ATOM 234 C2 DT B 2 6.400 1.341 5.606 1.00 10.00 C ATOM 235 O2 DT B 2 6.223 0.239 6.120 1.00 10.00 O ATOM 236 N3 DT B 2 5.525 2.389 5.862 1.00 10.00 N ATOM 237 C4 DT B 2 5.615 3.672 5.339 1.00 10.00 C ATOM 238 O4 DT B 2 4.746 4.501 5.598 1.00 10.00 O ATOM 239 C5 DT B 2 6.774 3.896 4.491 1.00 10.00 C ATOM 240 C7 DT B 2 7.042 5.267 3.901 1.00 10.00 C ATOM 241 C6 DT B 2 7.626 2.878 4.215 1.00 10.00 C ATOM 0 H5' DT B 2 12.409 1.364 4.376 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.435 1.059 2.651 1.00 10.00 H new ATOM 0 H4' DT B 2 10.975 -0.508 3.859 1.00 10.00 H new ATOM 0 H3' DT B 2 9.875 1.249 1.662 1.00 10.00 H new ATOM 0 H2' DT B 2 7.675 1.014 2.352 1.00 10.00 H new ATOM 0 H2'' DT B 2 7.908 -0.698 2.642 1.00 10.00 H new ATOM 0 H1' DT B 2 8.148 -0.344 4.910 1.00 10.00 H new ATOM 0 H3 DT B 2 4.745 2.199 6.492 1.00 10.00 H new ATOM 0 H71 DT B 2 8.116 5.405 3.774 1.00 10.00 H new ATOM 0 H72 DT B 2 6.549 5.349 2.932 1.00 10.00 H new ATOM 0 H73 DT B 2 6.654 6.034 4.572 1.00 10.00 H new ATOM 0 H6 DT B 2 8.466 3.061 3.561 1.00 10.00 H new ATOM 254 P DG B 3 9.469 -1.121 0.155 1.00 10.00 P ATOM 255 OP1 DG B 3 10.488 -1.798 -0.678 1.00 10.00 O ATOM 256 OP2 DG B 3 8.771 0.073 -0.374 1.00 10.00 O ATOM 257 O5' DG B 3 8.343 -2.213 0.547 1.00 10.00 O ATOM 258 C5' DG B 3 8.671 -3.473 1.109 1.00 10.00 C ATOM 259 C4' DG B 3 7.437 -4.388 1.142 1.00 10.00 C ATOM 260 O4' DG B 3 6.279 -3.688 1.586 1.00 10.00 O ATOM 261 C3' DG B 3 7.123 -4.966 -0.241 1.00 10.00 C ATOM 262 O3' DG B 3 6.671 -6.300 -0.067 1.00 10.00 O ATOM 263 C2' DG B 3 6.037 -4.024 -0.739 1.00 10.00 C ATOM 264 C1' DG B 3 5.302 -3.665 0.553 1.00 10.00 C ATOM 265 N9 DG B 3 4.658 -2.329 0.502 1.00 10.00 N ATOM 266 C8 DG B 3 5.186 -1.140 0.062 1.00 10.00 C ATOM 267 N7 DG B 3 4.367 -0.128 0.133 1.00 10.00 N ATOM 268 C5 DG B 3 3.210 -0.676 0.672 1.00 10.00 C ATOM 269 C6 DG B 3 1.958 -0.057 0.964 1.00 10.00 C ATOM 270 O6 DG B 3 1.636 1.112 0.769 1.00 10.00 O ATOM 271 N1 DG B 3 1.050 -0.935 1.545 1.00 10.00 N ATOM 272 C2 DG B 3 1.314 -2.269 1.801 1.00 10.00 C ATOM 273 N2 DG B 3 0.337 -2.984 2.366 1.00 10.00 N ATOM 274 N3 DG B 3 2.479 -2.864 1.490 1.00 10.00 N ATOM 275 C4 DG B 3 3.386 -2.015 0.932 1.00 10.00 C ATOM 0 H5' DG B 3 9.057 -3.337 2.119 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.463 -3.942 0.526 1.00 10.00 H new ATOM 0 H4' DG B 3 7.681 -5.192 1.836 1.00 10.00 H new ATOM 0 H3' DG B 3 7.955 -5.023 -0.943 1.00 10.00 H new ATOM 0 H2' DG B 3 6.455 -3.144 -1.228 1.00 10.00 H new ATOM 0 H2'' DG B 3 5.379 -4.507 -1.461 1.00 10.00 H new ATOM 0 H1' DG B 3 4.495 -4.379 0.721 1.00 10.00 H new ATOM 0 H8 DG B 3 6.195 -1.051 -0.312 1.00 10.00 H new ATOM 0 H1 DG B 3 0.131 -0.573 1.799 1.00 10.00 H new ATOM 0 H21 DG B 3 0.483 -3.972 2.574 1.00 10.00 H new ATOM 0 H22 DG B 3 -0.555 -2.542 2.589 1.00 10.00 H new ATOM 287 P DC B 4 6.338 -7.280 -1.309 1.00 10.00 P ATOM 288 OP1 DC B 4 6.785 -8.645 -0.953 1.00 10.00 O ATOM 289 OP2 DC B 4 6.824 -6.647 -2.556 1.00 10.00 O ATOM 290 O5' DC B 4 4.728 -7.262 -1.332 1.00 10.00 O ATOM 291 C5' DC B 4 3.965 -8.024 -0.412 1.00 10.00 C ATOM 292 C4' DC B 4 2.489 -7.633 -0.531 1.00 10.00 C ATOM 293 O4' DC B 4 2.379 -6.248 -0.281 1.00 10.00 O ATOM 294 C3' DC B 4 1.911 -7.893 -1.930 1.00 10.00 C ATOM 295 O3' DC B 4 1.038 -9.011 -1.910 1.00 10.00 O ATOM 296 C2' DC B 4 1.185 -6.597 -2.275 1.00 10.00 C ATOM 297 C1' DC B 4 1.263 -5.766 -0.993 1.00 10.00 C ATOM 298 N1 DC B 4 1.489 -4.347 -1.341 1.00 10.00 N ATOM 299 C2 DC B 4 0.496 -3.397 -1.098 1.00 10.00 C ATOM 300 O2 DC B 4 -0.574 -3.705 -0.578 1.00 10.00 O ATOM 301 N3 DC B 4 0.739 -2.106 -1.462 1.00 10.00 N ATOM 302 C4 DC B 4 1.893 -1.764 -2.055 1.00 10.00 C ATOM 303 N4 DC B 4 2.062 -0.496 -2.426 1.00 10.00 N ATOM 304 C5 DC B 4 2.921 -2.727 -2.320 1.00 10.00 C ATOM 305 C6 DC B 4 2.668 -3.998 -1.946 1.00 10.00 C ATOM 0 H5' DC B 4 4.319 -7.849 0.604 1.00 10.00 H new ATOM 0 H5'' DC B 4 4.088 -9.088 -0.613 1.00 10.00 H new ATOM 0 H4' DC B 4 1.934 -8.240 0.184 1.00 10.00 H new ATOM 0 H3' DC B 4 2.671 -8.138 -2.672 1.00 10.00 H new ATOM 0 H2' DC B 4 1.662 -6.085 -3.111 1.00 10.00 H new ATOM 0 H2'' DC B 4 0.151 -6.785 -2.564 1.00 10.00 H new ATOM 0 H1' DC B 4 0.345 -5.842 -0.410 1.00 10.00 H new ATOM 0 H41 DC B 4 2.930 -0.208 -2.879 1.00 10.00 H new ATOM 0 H42 DC B 4 1.324 0.187 -2.257 1.00 10.00 H new ATOM 0 H5 DC B 4 3.850 -2.449 -2.795 1.00 10.00 H new ATOM 0 H6 DC B 4 3.413 -4.759 -2.128 1.00 10.00 H new ATOM 317 P DA B 5 0.537 -9.748 -3.264 1.00 10.00 P ATOM 318 OP1 DA B 5 -0.036 -11.056 -2.876 1.00 10.00 O ATOM 319 OP2 DA B 5 1.641 -9.705 -4.249 1.00 10.00 O ATOM 320 O5' DA B 5 -0.664 -8.828 -3.836 1.00 10.00 O ATOM 321 C5' DA B 5 -1.935 -8.782 -3.210 1.00 10.00 C ATOM 322 C4' DA B 5 -2.941 -8.039 -4.097 1.00 10.00 C ATOM 323 O4' DA B 5 -2.492 -6.738 -4.451 1.00 10.00 O ATOM 324 C3' DA B 5 -3.219 -8.788 -5.410 1.00 10.00 C ATOM 325 O3' DA B 5 -4.500 -9.395 -5.351 1.00 10.00 O ATOM 326 C2' DA B 5 -3.098 -7.696 -6.477 1.00 10.00 C ATOM 327 C1' DA B 5 -3.113 -6.397 -5.678 1.00 10.00 C ATOM 328 N9 DA B 5 -2.390 -5.312 -6.370 1.00 10.00 N ATOM 329 C8 DA B 5 -1.090 -5.325 -6.782 1.00 10.00 C ATOM 330 N7 DA B 5 -0.659 -4.194 -7.266 1.00 10.00 N ATOM 331 C5 DA B 5 -1.770 -3.364 -7.173 1.00 10.00 C ATOM 332 C6 DA B 5 -1.976 -2.002 -7.477 1.00 10.00 C ATOM 333 N6 DA B 5 -1.005 -1.211 -7.947 1.00 10.00 N ATOM 334 N1 DA B 5 -3.197 -1.475 -7.265 1.00 10.00 N ATOM 335 C2 DA B 5 -4.161 -2.254 -6.777 1.00 10.00 C ATOM 336 N3 DA B 5 -4.092 -3.540 -6.440 1.00 10.00 N ATOM 337 C4 DA B 5 -2.847 -4.046 -6.660 1.00 10.00 C ATOM 0 H5' DA B 5 -1.854 -8.283 -2.244 1.00 10.00 H new ATOM 0 H5'' DA B 5 -2.289 -9.795 -3.017 1.00 10.00 H new ATOM 0 H4' DA B 5 -3.848 -7.974 -3.495 1.00 10.00 H new ATOM 0 H3' DA B 5 -2.535 -9.610 -5.622 1.00 10.00 H new ATOM 0 H2' DA B 5 -2.178 -7.800 -7.052 1.00 10.00 H new ATOM 0 H2'' DA B 5 -3.924 -7.738 -7.187 1.00 10.00 H new ATOM 0 H1' DA B 5 -4.124 -6.012 -5.542 1.00 10.00 H new ATOM 0 H8 DA B 5 -0.466 -6.204 -6.713 1.00 10.00 H new ATOM 0 H61 DA B 5 -1.200 -0.231 -8.153 1.00 10.00 H new ATOM 0 H62 DA B 5 -0.069 -1.588 -8.099 1.00 10.00 H new ATOM 0 H2 DA B 5 -5.122 -1.782 -6.637 1.00 10.00 H new ATOM 349 P DT B 6 -5.072 -10.336 -6.536 1.00 10.00 P ATOM 350 OP1 DT B 6 -6.133 -11.200 -5.972 1.00 10.00 O ATOM 351 OP2 DT B 6 -3.932 -10.945 -7.257 1.00 10.00 O ATOM 352 O5' DT B 6 -5.769 -9.264 -7.515 1.00 10.00 O ATOM 353 C5' DT B 6 -6.936 -8.573 -7.120 1.00 10.00 C ATOM 354 C4' DT B 6 -7.245 -7.423 -8.081 1.00 10.00 C ATOM 355 O4' DT B 6 -6.245 -6.426 -8.013 1.00 10.00 O ATOM 356 C3' DT B 6 -7.294 -7.820 -9.557 1.00 10.00 C ATOM 357 O3' DT B 6 -8.577 -8.278 -9.931 1.00 10.00 O ATOM 358 C2' DT B 6 -6.929 -6.518 -10.270 1.00 10.00 C ATOM 359 C1' DT B 6 -6.394 -5.607 -9.157 1.00 10.00 C ATOM 360 N1 DT B 6 -5.093 -4.986 -9.524 1.00 10.00 N ATOM 361 C2 DT B 6 -5.030 -3.602 -9.680 1.00 10.00 C ATOM 362 O2 DT B 6 -5.992 -2.857 -9.516 1.00 10.00 O ATOM 363 N3 DT B 6 -3.796 -3.083 -10.041 1.00 10.00 N ATOM 364 C4 DT B 6 -2.634 -3.805 -10.259 1.00 10.00 C ATOM 365 O4 DT B 6 -1.599 -3.217 -10.564 1.00 10.00 O ATOM 366 C5 DT B 6 -2.782 -5.239 -10.082 1.00 10.00 C ATOM 367 C7 DT B 6 -1.587 -6.143 -10.315 1.00 10.00 C ATOM 368 C6 DT B 6 -3.981 -5.771 -9.727 1.00 10.00 C ATOM 0 H5' DT B 6 -6.808 -8.183 -6.110 1.00 10.00 H new ATOM 0 H5'' DT B 6 -7.779 -9.263 -7.090 1.00 10.00 H new ATOM 0 H4' DT B 6 -8.228 -7.080 -7.757 1.00 10.00 H new ATOM 0 H3' DT B 6 -6.626 -8.645 -9.802 1.00 10.00 H new ATOM 0 H2' DT B 6 -6.177 -6.685 -11.042 1.00 10.00 H new ATOM 0 H2'' DT B 6 -7.797 -6.077 -10.761 1.00 10.00 H new ATOM 0 HO3' DT B 6 -8.574 -8.522 -10.880 1.00 10.00 H new ATOM 0 H1' DT B 6 -7.084 -4.782 -8.978 1.00 10.00 H new ATOM 0 H3 DT B 6 -3.738 -2.071 -10.157 1.00 10.00 H new ATOM 0 H71 DT B 6 -1.666 -7.022 -9.676 1.00 10.00 H new ATOM 0 H72 DT B 6 -1.565 -6.455 -11.359 1.00 10.00 H new ATOM 0 H73 DT B 6 -0.670 -5.603 -10.078 1.00 10.00 H new ATOM 0 H6 DT B 6 -4.064 -6.840 -9.601 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 1.045 0.143 -5.196 1.00 10.00 O HETATM 384 C11 NF A 7 -0.117 0.207 -4.896 1.00 10.00 C HETATM 385 N21 NF A 7 -0.791 1.434 -4.912 1.00 10.00 N HETATM 386 C12 NF A 7 -0.033 2.649 -5.321 1.00 10.00 C HETATM 387 C31 NF A 7 -2.136 1.587 -4.561 1.00 10.00 C HETATM 388 O31 NF A 7 -2.657 2.669 -4.590 1.00 10.00 O HETATM 389 CX3 NF A 7 -2.895 0.366 -4.138 1.00 10.00 C HETATM 390 CXD NF A 7 -2.245 -0.895 -4.092 1.00 10.00 C HETATM 391 CXT NF A 7 -0.881 -1.009 -4.467 1.00 10.00 C HETATM 392 C91 NF A 7 -0.255 -2.237 -4.439 1.00 10.00 C HETATM 393 C81 NF A 7 -0.943 -3.382 -4.006 1.00 10.00 C HETATM 394 C71 NF A 7 -2.285 -3.297 -3.610 1.00 10.00 C HETATM 395 CXN NF A 7 -2.963 -2.047 -3.663 1.00 10.00 C HETATM 396 C61 NF A 7 -4.334 -1.907 -3.302 1.00 10.00 C HETATM 397 C51 NF A 7 -4.953 -0.650 -3.371 1.00 10.00 C HETATM 398 C41 NF A 7 -4.223 0.474 -3.786 1.00 10.00 C HETATM 399 C22 NF A 7 0.589 3.425 -4.155 1.00 10.00 C HETATM 400 N32 NF A 7 1.581 2.602 -3.440 1.00 10.00 N HETATM 401 C42 NF A 7 2.475 3.329 -2.514 1.00 10.00 C HETATM 402 C52 NF A 7 3.549 2.380 -1.973 1.00 10.00 C HETATM 403 C62 NF A 7 4.651 3.048 -1.138 1.00 10.00 C HETATM 404 N72 NF A 7 4.440 2.920 0.319 1.00 10.00 N HETATM 405 C82 NF A 7 3.482 3.861 0.935 1.00 10.00 C HETATM 406 O13 NF A 7 1.120 3.698 3.564 1.00 10.00 O HETATM 407 C13 NF A 7 1.781 2.698 3.646 1.00 10.00 C HETATM 408 N23 NF A 7 3.082 2.651 3.133 1.00 10.00 N HETATM 409 C92 NF A 7 3.615 3.869 2.463 1.00 10.00 C HETATM 410 C33 NF A 7 3.907 1.524 3.211 1.00 10.00 C HETATM 411 O33 NF A 7 5.017 1.546 2.752 1.00 10.00 O HETATM 412 CX5 NF A 7 3.355 0.291 3.858 1.00 10.00 C HETATM 413 CXF NF A 7 2.033 0.290 4.370 1.00 10.00 C HETATM 414 CXV NF A 7 1.236 1.462 4.290 1.00 10.00 C HETATM 415 C93 NF A 7 -0.041 1.468 4.806 1.00 10.00 C HETATM 416 C83 NF A 7 -0.578 0.313 5.393 1.00 10.00 C HETATM 417 C73 NF A 7 0.173 -0.867 5.464 1.00 10.00 C HETATM 418 CXP NF A 7 1.505 -0.890 4.965 1.00 10.00 C HETATM 419 C63 NF A 7 2.327 -2.050 5.041 1.00 10.00 C HETATM 420 C53 NF A 7 3.633 -2.018 4.534 1.00 10.00 C HETATM 421 C43 NF A 7 4.130 -0.845 3.946 1.00 10.00 C HETATM 0 H922 NF A 7 4.668 3.981 2.723 1.00 10.00 H new HETATM 0 H912 NF A 7 3.095 4.742 2.856 1.00 10.00 H new HETATM 0 H822 NF A 7 3.654 4.865 0.547 1.00 10.00 H new HETATM 0 H812 NF A 7 2.465 3.582 0.658 1.00 10.00 H new HETATM 0 H722 NF A 7 4.123 1.970 0.513 1.00 10.00 H new HETATM 0 H712 NF A 7 5.341 3.034 0.783 1.00 10.00 H new HETATM 0 H622 NF A 7 5.613 2.606 -1.399 1.00 10.00 H new HETATM 0 H612 NF A 7 4.704 4.105 -1.399 1.00 10.00 H new HETATM 0 H522 NF A 7 3.064 1.618 -1.362 1.00 10.00 H new HETATM 0 H512 NF A 7 4.014 1.866 -2.814 1.00 10.00 H new HETATM 0 H422 NF A 7 2.944 4.167 -3.030 1.00 10.00 H new HETATM 0 H412 NF A 7 1.897 3.746 -1.689 1.00 10.00 H new HETATM 0 H322 NF A 7 1.084 1.885 -2.911 1.00 10.00 H new HETATM 0 H312 NF A 7 2.156 2.119 -4.130 1.00 10.00 H new HETATM 0 H222 NF A 7 1.066 4.331 -4.530 1.00 10.00 H new HETATM 0 H212 NF A 7 -0.194 3.739 -3.464 1.00 10.00 H new HETATM 0 H122 NF A 7 0.759 2.355 -6.010 1.00 10.00 H new HETATM 0 H112 NF A 7 -0.702 3.313 -5.869 1.00 10.00 H new HETATM 0 H93 NF A 7 -0.639 2.378 4.758 1.00 10.00 H new HETATM 0 H91 NF A 7 0.785 -2.320 -4.756 1.00 10.00 H new HETATM 0 H83 NF A 7 -1.590 0.334 5.798 1.00 10.00 H new HETATM 0 H81 NF A 7 -0.430 -4.343 -3.978 1.00 10.00 H new HETATM 0 H73 NF A 7 -0.262 -1.766 5.901 1.00 10.00 H new HETATM 0 H71 NF A 7 -2.809 -4.187 -3.262 1.00 10.00 H new HETATM 0 H63 NF A 7 1.940 -2.963 5.494 1.00 10.00 H new HETATM 0 H61 NF A 7 -4.902 -2.777 -2.972 1.00 10.00 H new HETATM 0 H53 NF A 7 4.263 -2.905 4.596 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.004 -0.546 -3.101 1.00 10.00 H new HETATM 0 H43 NF A 7 5.146 -0.832 3.552 1.00 10.00 H new HETATM 0 H41 NF A 7 -4.713 1.447 -3.831 1.00 10.00 H new