USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 173 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 DG O5' : rot 70:sc= 1.21 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.167 (180deg=-0.167) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.167 (180deg=-0.167) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.194 (180deg=-0.194) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl 150:sc= -4.06 (180deg=-4.06) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.414 7.991 0.017 1.00 0.00 O ATOM 2 C5' DG A 1 -3.056 9.114 0.632 1.00 0.00 C ATOM 3 C4' DG A 1 -2.683 9.293 2.118 1.00 0.00 C ATOM 4 O4' DG A 1 -3.089 8.211 2.976 1.00 0.00 O ATOM 5 C3' DG A 1 -1.206 9.461 2.360 1.00 0.00 C ATOM 6 O3' DG A 1 -0.949 10.386 3.424 1.00 0.00 O ATOM 7 C2' DG A 1 -0.782 8.061 2.664 1.00 0.00 C ATOM 8 C1' DG A 1 -1.899 7.614 3.531 1.00 0.00 C ATOM 9 N9 DG A 1 -2.017 6.159 3.631 1.00 0.00 N ATOM 10 C8 DG A 1 -1.828 5.377 4.705 1.00 0.00 C ATOM 11 N7 DG A 1 -2.022 4.095 4.537 1.00 0.00 N ATOM 12 C5 DG A 1 -2.380 4.041 3.185 1.00 0.00 C ATOM 13 C6 DG A 1 -2.727 2.933 2.361 1.00 0.00 C ATOM 14 O6 DG A 1 -2.796 1.748 2.664 1.00 0.00 O ATOM 15 N1 DG A 1 -3.015 3.329 1.060 1.00 0.00 N ATOM 16 C2 DG A 1 -2.976 4.636 0.613 1.00 0.00 C ATOM 17 N2 DG A 1 -3.268 4.886 -0.655 1.00 0.00 N ATOM 18 N3 DG A 1 -2.657 5.668 1.382 1.00 0.00 N ATOM 19 C4 DG A 1 -2.374 5.300 2.640 1.00 0.00 C ATOM 0 H5' DG A 1 -4.136 8.997 0.548 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.790 10.019 0.086 1.00 0.00 H new ATOM 0 H4' DG A 1 -3.232 10.201 2.366 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.655 9.890 1.524 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.689 7.453 1.764 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.179 8.022 3.176 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.791 7.161 0.377 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.725 7.932 4.559 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.531 5.786 5.659 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.273 2.605 0.389 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.245 5.844 -1.004 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.516 4.120 -1.282 1.00 0.00 H new ATOM 32 P DG A 2 0.351 11.340 3.387 1.00 0.00 P ATOM 33 OP1 DG A 2 0.310 12.225 4.573 1.00 0.00 O ATOM 34 OP2 DG A 2 0.464 11.928 2.033 1.00 0.00 O ATOM 35 O5' DG A 2 1.541 10.274 3.578 1.00 0.00 O ATOM 36 C5' DG A 2 1.848 9.733 4.866 1.00 0.00 C ATOM 37 C4' DG A 2 2.832 8.575 4.774 1.00 0.00 C ATOM 38 O4' DG A 2 2.284 7.397 4.193 1.00 0.00 O ATOM 39 C3' DG A 2 4.120 8.930 4.046 1.00 0.00 C ATOM 40 O3' DG A 2 5.162 8.895 5.036 1.00 0.00 O ATOM 41 C2' DG A 2 4.156 7.837 2.985 1.00 0.00 C ATOM 42 C1' DG A 2 3.375 6.701 3.595 1.00 0.00 C ATOM 43 N9 DG A 2 2.776 5.776 2.639 1.00 0.00 N ATOM 44 C8 DG A 2 2.066 6.079 1.539 1.00 0.00 C ATOM 45 N7 DG A 2 1.599 5.075 0.856 1.00 0.00 N ATOM 46 C5 DG A 2 2.060 3.984 1.600 1.00 0.00 C ATOM 47 C6 DG A 2 1.890 2.590 1.389 1.00 0.00 C ATOM 48 O6 DG A 2 1.284 2.023 0.487 1.00 0.00 O ATOM 49 N1 DG A 2 2.516 1.843 2.374 1.00 0.00 N ATOM 50 C2 DG A 2 3.223 2.373 3.436 1.00 0.00 C ATOM 51 N2 DG A 2 3.767 1.521 4.297 1.00 0.00 N ATOM 52 N3 DG A 2 3.384 3.676 3.638 1.00 0.00 N ATOM 53 C4 DG A 2 2.780 4.415 2.687 1.00 0.00 C ATOM 0 H5' DG A 2 0.930 9.393 5.345 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.266 10.516 5.499 1.00 0.00 H new ATOM 0 H4' DG A 2 3.066 8.365 5.818 1.00 0.00 H new ATOM 0 H3' DG A 2 4.218 9.908 3.574 1.00 0.00 H new ATOM 0 H2' DG A 2 3.705 8.174 2.051 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.179 7.539 2.756 1.00 0.00 H new ATOM 0 H1' DG A 2 4.026 6.099 4.229 1.00 0.00 H new ATOM 0 H8 DG A 2 1.892 7.102 1.238 1.00 0.00 H new ATOM 0 H1 DG A 2 2.450 0.827 2.310 1.00 0.00 H new ATOM 0 H21 DG A 2 4.297 1.871 5.095 1.00 0.00 H new ATOM 0 H22 DG A 2 3.655 0.516 4.160 1.00 0.00 H new ATOM 65 P DT A 3 6.686 8.414 4.818 1.00 0.00 P ATOM 66 OP1 DT A 3 6.680 6.958 4.546 1.00 0.00 O ATOM 67 OP2 DT A 3 7.497 8.952 5.933 1.00 0.00 O ATOM 68 O5' DT A 3 7.106 9.182 3.466 1.00 0.00 O ATOM 69 C5' DT A 3 6.989 10.602 3.317 1.00 0.00 C ATOM 70 C4' DT A 3 7.085 11.015 1.847 1.00 0.00 C ATOM 71 O4' DT A 3 8.378 10.677 1.316 1.00 0.00 O ATOM 72 C3' DT A 3 6.019 10.345 0.966 1.00 0.00 C ATOM 73 O3' DT A 3 5.398 11.190 -0.009 1.00 0.00 O ATOM 74 C2' DT A 3 6.792 9.274 0.241 1.00 0.00 C ATOM 75 C1' DT A 3 8.244 9.710 0.263 1.00 0.00 C ATOM 76 N1 DT A 3 9.146 8.547 0.476 1.00 0.00 N ATOM 77 C2 DT A 3 10.045 8.221 -0.532 1.00 0.00 C ATOM 78 O2 DT A 3 10.125 8.846 -1.590 1.00 0.00 O ATOM 79 N3 DT A 3 10.864 7.134 -0.285 1.00 0.00 N ATOM 80 C4 DT A 3 10.866 6.354 0.859 1.00 0.00 C ATOM 81 O4 DT A 3 11.645 5.408 0.963 1.00 0.00 O ATOM 82 C5 DT A 3 9.899 6.765 1.856 1.00 0.00 C ATOM 83 C7 DT A 3 9.789 5.996 3.178 1.00 0.00 C ATOM 84 C6 DT A 3 9.089 7.820 1.639 1.00 0.00 C ATOM 0 H5' DT A 3 7.775 11.096 3.888 1.00 0.00 H new ATOM 0 H5'' DT A 3 6.037 10.936 3.730 1.00 0.00 H new ATOM 0 H4' DT A 3 6.922 12.092 1.826 1.00 0.00 H new ATOM 0 H3' DT A 3 5.194 10.009 1.594 1.00 0.00 H new ATOM 0 H2' DT A 3 6.669 8.307 0.729 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.435 9.162 -0.783 1.00 0.00 H new ATOM 0 H1' DT A 3 8.530 10.149 -0.693 1.00 0.00 H new ATOM 0 H3 DT A 3 11.530 6.883 -1.015 1.00 0.00 H new ATOM 0 H71 DT A 3 9.464 6.674 3.967 1.00 0.00 H new ATOM 0 H72 DT A 3 9.064 5.190 3.071 1.00 0.00 H new ATOM 0 H73 DT A 3 10.761 5.577 3.437 1.00 0.00 H new ATOM 0 H6 DT A 3 8.376 8.101 2.400 1.00 0.00 H new ATOM 97 P DT A 4 3.939 10.791 -0.593 1.00 0.00 P ATOM 98 OP1 DT A 4 3.615 11.736 -1.685 1.00 0.00 O ATOM 99 OP2 DT A 4 3.013 10.660 0.556 1.00 0.00 O ATOM 100 O5' DT A 4 4.134 9.309 -1.236 1.00 0.00 O ATOM 101 C5' DT A 4 4.538 9.057 -2.594 1.00 0.00 C ATOM 102 C4' DT A 4 4.158 7.632 -3.067 1.00 0.00 C ATOM 103 O4' DT A 4 4.865 6.503 -2.568 1.00 0.00 O ATOM 104 C3' DT A 4 2.676 7.324 -2.926 1.00 0.00 C ATOM 105 O3' DT A 4 1.957 7.143 -4.154 1.00 0.00 O ATOM 106 C2' DT A 4 2.722 6.042 -2.186 1.00 0.00 C ATOM 107 C1' DT A 4 3.967 5.366 -2.616 1.00 0.00 C ATOM 108 N1 DT A 4 4.379 4.387 -1.601 1.00 0.00 N ATOM 109 C2 DT A 4 4.139 3.025 -1.739 1.00 0.00 C ATOM 110 O2 DT A 4 3.560 2.519 -2.699 1.00 0.00 O ATOM 111 N3 DT A 4 4.604 2.239 -0.702 1.00 0.00 N ATOM 112 C4 DT A 4 5.269 2.685 0.429 1.00 0.00 C ATOM 113 O4 DT A 4 5.631 1.876 1.282 1.00 0.00 O ATOM 114 C5 DT A 4 5.473 4.124 0.480 1.00 0.00 C ATOM 115 C7 DT A 4 6.220 4.723 1.684 1.00 0.00 C ATOM 116 C6 DT A 4 5.021 4.902 -0.531 1.00 0.00 C ATOM 0 H5' DT A 4 5.616 9.190 -2.680 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.072 9.791 -3.251 1.00 0.00 H new ATOM 0 H4' DT A 4 4.480 7.737 -4.103 1.00 0.00 H new ATOM 0 H3' DT A 4 2.146 8.152 -2.455 1.00 0.00 H new ATOM 0 H2' DT A 4 2.723 6.213 -1.109 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.848 5.430 -2.411 1.00 0.00 H new ATOM 0 H1' DT A 4 3.912 4.830 -3.563 1.00 0.00 H new ATOM 0 H3 DT A 4 4.442 1.235 -0.776 1.00 0.00 H new ATOM 0 H71 DT A 4 6.748 5.625 1.373 1.00 0.00 H new ATOM 0 H72 DT A 4 5.505 4.973 2.468 1.00 0.00 H new ATOM 0 H73 DT A 4 6.937 3.996 2.066 1.00 0.00 H new ATOM 0 H6 DT A 4 5.179 5.969 -0.480 1.00 0.00 H new ATOM 129 P DG A 5 1.417 8.329 -5.108 1.00 0.00 P ATOM 130 OP1 DG A 5 2.277 8.369 -6.313 1.00 0.00 O ATOM 131 OP2 DG A 5 1.246 9.549 -4.284 1.00 0.00 O ATOM 132 O5' DG A 5 -0.053 7.784 -5.547 1.00 0.00 O ATOM 133 C5' DG A 5 -0.224 6.411 -5.934 1.00 0.00 C ATOM 134 C4' DG A 5 -1.476 6.074 -6.788 1.00 0.00 C ATOM 135 O4' DG A 5 -1.550 4.648 -6.860 1.00 0.00 O ATOM 136 C3' DG A 5 -2.903 6.420 -6.354 1.00 0.00 C ATOM 137 O3' DG A 5 -3.727 6.438 -7.534 1.00 0.00 O ATOM 138 C2' DG A 5 -3.207 5.376 -5.351 1.00 0.00 C ATOM 139 C1' DG A 5 -2.622 4.170 -6.026 1.00 0.00 C ATOM 140 N9 DG A 5 -1.947 3.233 -5.143 1.00 0.00 N ATOM 141 C8 DG A 5 -1.759 1.948 -5.433 1.00 0.00 C ATOM 142 N7 DG A 5 -1.059 1.258 -4.591 1.00 0.00 N ATOM 143 C5 DG A 5 -0.755 2.213 -3.623 1.00 0.00 C ATOM 144 C6 DG A 5 -0.004 2.088 -2.433 1.00 0.00 C ATOM 145 O6 DG A 5 0.571 1.100 -1.995 1.00 0.00 O ATOM 146 N1 DG A 5 0.064 3.277 -1.741 1.00 0.00 N ATOM 147 C2 DG A 5 -0.514 4.461 -2.131 1.00 0.00 C ATOM 148 N2 DG A 5 -0.336 5.482 -1.291 1.00 0.00 N ATOM 149 N3 DG A 5 -1.223 4.594 -3.255 1.00 0.00 N ATOM 150 C4 DG A 5 -1.300 3.431 -3.948 1.00 0.00 C ATOM 0 H5' DG A 5 -0.257 5.805 -5.029 1.00 0.00 H new ATOM 0 H5'' DG A 5 0.660 6.103 -6.492 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.278 6.693 -7.663 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.067 7.398 -5.902 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.740 5.579 -4.387 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.277 5.272 -5.172 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.458 3.669 -6.514 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.170 1.503 -6.327 1.00 0.00 H new ATOM 0 H1 DG A 5 0.587 3.279 -0.866 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.734 6.396 -1.508 1.00 0.00 H new ATOM 0 H22 DG A 5 0.198 5.349 -0.432 1.00 0.00 H new ATOM 162 P DG A 6 -5.319 6.713 -7.568 1.00 0.00 P ATOM 163 OP1 DG A 6 -5.710 6.983 -8.969 1.00 0.00 O ATOM 164 OP2 DG A 6 -5.663 7.686 -6.508 1.00 0.00 O ATOM 165 O5' DG A 6 -5.907 5.279 -7.148 1.00 0.00 O ATOM 166 C5' DG A 6 -5.789 4.159 -8.034 1.00 0.00 C ATOM 167 C4' DG A 6 -5.960 2.830 -7.294 1.00 0.00 C ATOM 168 O4' DG A 6 -4.919 2.438 -6.388 1.00 0.00 O ATOM 169 C3' DG A 6 -7.306 2.565 -6.655 1.00 0.00 C ATOM 170 O3' DG A 6 -7.911 1.453 -7.250 1.00 0.00 O ATOM 171 C2' DG A 6 -6.837 2.353 -5.265 1.00 0.00 C ATOM 172 C1' DG A 6 -5.545 1.663 -5.354 1.00 0.00 C ATOM 173 N9 DG A 6 -4.866 1.718 -4.057 1.00 0.00 N ATOM 174 C8 DG A 6 -4.619 2.793 -3.300 1.00 0.00 C ATOM 175 N7 DG A 6 -4.016 2.595 -2.178 1.00 0.00 N ATOM 176 C5 DG A 6 -3.836 1.217 -2.184 1.00 0.00 C ATOM 177 C6 DG A 6 -3.230 0.370 -1.222 1.00 0.00 C ATOM 178 O6 DG A 6 -2.727 0.682 -0.143 1.00 0.00 O ATOM 179 N1 DG A 6 -3.259 -0.955 -1.638 1.00 0.00 N ATOM 180 C2 DG A 6 -3.810 -1.416 -2.823 1.00 0.00 C ATOM 181 N2 DG A 6 -3.780 -2.721 -3.104 1.00 0.00 N ATOM 182 N3 DG A 6 -4.377 -0.612 -3.716 1.00 0.00 N ATOM 183 C4 DG A 6 -4.352 0.677 -3.336 1.00 0.00 C ATOM 0 H5' DG A 6 -4.814 4.181 -8.521 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.540 4.237 -8.820 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.880 2.186 -8.169 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.079 3.328 -6.745 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.732 3.304 -4.743 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.555 1.758 -4.701 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.564 0.598 -5.584 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.912 3.784 -3.615 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.839 -1.648 -1.018 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.184 -3.065 -3.975 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.353 -3.374 -2.448 1.00 0.00 H new ATOM 195 P DT A 7 -8.689 1.592 -8.651 1.00 0.00 P ATOM 196 OP1 DT A 7 -7.710 1.617 -9.760 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.771 2.600 -8.558 1.00 0.00 O ATOM 198 O5' DT A 7 -9.260 0.131 -8.410 1.00 0.00 O ATOM 199 C5' DT A 7 -10.325 -0.083 -7.487 1.00 0.00 C ATOM 200 C4' DT A 7 -10.124 -1.361 -6.689 1.00 0.00 C ATOM 201 O4' DT A 7 -9.809 -2.441 -7.561 1.00 0.00 O ATOM 202 C3' DT A 7 -9.140 -1.343 -5.499 1.00 0.00 C ATOM 203 O3' DT A 7 -9.528 -2.324 -4.514 1.00 0.00 O ATOM 204 C2' DT A 7 -7.948 -1.848 -6.261 1.00 0.00 C ATOM 205 C1' DT A 7 -8.510 -2.905 -7.210 1.00 0.00 C ATOM 206 N1 DT A 7 -7.763 -2.987 -8.475 1.00 0.00 N ATOM 207 C2 DT A 7 -7.084 -4.154 -8.772 1.00 0.00 C ATOM 208 O2 DT A 7 -7.048 -5.124 -8.014 1.00 0.00 O ATOM 209 N3 DT A 7 -6.445 -4.171 -9.993 1.00 0.00 N ATOM 210 C4 DT A 7 -6.421 -3.144 -10.920 1.00 0.00 C ATOM 211 O4 DT A 7 -5.811 -3.289 -11.979 1.00 0.00 O ATOM 212 C5 DT A 7 -7.157 -1.958 -10.525 1.00 0.00 C ATOM 213 C7 DT A 7 -7.211 -0.773 -11.509 1.00 0.00 C ATOM 214 C6 DT A 7 -7.795 -1.923 -9.330 1.00 0.00 C ATOM 0 H5' DT A 7 -11.270 -0.135 -8.027 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.393 0.765 -6.806 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.090 -1.486 -6.201 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.037 -0.404 -4.955 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.460 -1.043 -6.810 1.00 0.00 H new ATOM 0 H2'' DT A 7 -7.202 -2.275 -5.591 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.473 -3.878 -6.720 1.00 0.00 H new ATOM 0 H3 DT A 7 -5.941 -5.023 -10.237 1.00 0.00 H new ATOM 0 H71 DT A 7 -8.146 -0.229 -11.372 1.00 0.00 H new ATOM 0 H72 DT A 7 -6.371 -0.105 -11.320 1.00 0.00 H new ATOM 0 H73 DT A 7 -7.155 -1.146 -12.532 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.340 -1.035 -9.048 1.00 0.00 H new ATOM 227 P DG A 8 -10.327 -1.974 -3.152 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.021 -3.198 -2.692 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.106 -0.736 -3.382 1.00 0.00 O ATOM 230 O5' DG A 8 -9.147 -1.627 -2.100 1.00 0.00 O ATOM 231 C5' DG A 8 -8.268 -2.589 -1.486 1.00 0.00 C ATOM 232 C4' DG A 8 -7.364 -1.871 -0.418 1.00 0.00 C ATOM 233 O4' DG A 8 -6.361 -0.865 -0.730 1.00 0.00 O ATOM 234 C3' DG A 8 -8.036 -1.557 0.894 1.00 0.00 C ATOM 235 O3' DG A 8 -7.464 -2.345 1.943 1.00 0.00 O ATOM 236 C2' DG A 8 -7.674 -0.116 0.906 1.00 0.00 C ATOM 237 C1' DG A 8 -6.305 0.151 0.321 1.00 0.00 C ATOM 238 N9 DG A 8 -6.553 1.416 -0.397 1.00 0.00 N ATOM 239 C8 DG A 8 -6.943 1.496 -1.681 1.00 0.00 C ATOM 240 N7 DG A 8 -7.166 2.685 -2.150 1.00 0.00 N ATOM 241 C5 DG A 8 -6.886 3.489 -1.038 1.00 0.00 C ATOM 242 C6 DG A 8 -6.941 4.905 -0.900 1.00 0.00 C ATOM 243 O6 DG A 8 -7.246 5.747 -1.741 1.00 0.00 O ATOM 244 N1 DG A 8 -6.582 5.304 0.381 1.00 0.00 N ATOM 245 C2 DG A 8 -6.217 4.456 1.407 1.00 0.00 C ATOM 246 N2 DG A 8 -5.904 5.018 2.574 1.00 0.00 N ATOM 247 N3 DG A 8 -6.164 3.128 1.279 1.00 0.00 N ATOM 248 C4 DG A 8 -6.509 2.718 0.039 1.00 0.00 C ATOM 0 H5' DG A 8 -7.645 -3.064 -2.244 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.851 -3.379 -1.012 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.713 -2.744 -0.373 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.099 -1.763 1.020 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.420 0.446 0.344 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.704 0.253 1.931 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.427 0.162 0.967 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.065 0.614 -2.292 1.00 0.00 H new ATOM 0 H1 DG A 8 -6.589 6.304 0.580 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.628 4.434 3.363 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.941 6.032 2.678 1.00 0.00 H new ATOM 260 P DT A 9 -8.039 -3.831 2.264 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.806 -4.325 1.096 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.680 -3.795 3.597 1.00 0.00 O ATOM 263 O5' DT A 9 -6.712 -4.721 2.390 1.00 0.00 O ATOM 264 C5' DT A 9 -5.883 -5.181 1.310 1.00 0.00 C ATOM 265 C4' DT A 9 -4.383 -5.365 1.949 1.00 0.00 C ATOM 266 O4' DT A 9 -3.892 -4.217 2.712 1.00 0.00 O ATOM 267 C3' DT A 9 -4.096 -6.507 2.989 1.00 0.00 C ATOM 268 O3' DT A 9 -2.707 -6.912 2.951 1.00 0.00 O ATOM 269 C2' DT A 9 -4.392 -5.811 4.312 1.00 0.00 C ATOM 270 C1' DT A 9 -3.641 -4.507 4.135 1.00 0.00 C ATOM 271 N1 DT A 9 -4.060 -3.375 4.997 1.00 0.00 N ATOM 272 C2 DT A 9 -3.462 -3.155 6.232 1.00 0.00 C ATOM 273 O2 DT A 9 -2.593 -3.887 6.696 1.00 0.00 O ATOM 274 N3 DT A 9 -3.907 -2.038 6.924 1.00 0.00 N ATOM 275 C4 DT A 9 -4.876 -1.141 6.495 1.00 0.00 C ATOM 276 O4 DT A 9 -5.190 -0.178 7.194 1.00 0.00 O ATOM 277 C5 DT A 9 -5.432 -1.467 5.194 1.00 0.00 C ATOM 278 C7 DT A 9 -6.490 -0.578 4.538 1.00 0.00 C ATOM 279 C6 DT A 9 -5.006 -2.549 4.525 1.00 0.00 C ATOM 0 H5' DT A 9 -5.874 -4.463 0.490 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.254 -6.122 0.905 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.905 -5.570 0.991 1.00 0.00 H new ATOM 0 H3' DT A 9 -4.679 -7.411 2.809 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.460 -5.653 4.464 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.029 -6.382 5.167 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.597 -4.616 4.429 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.482 -1.859 7.834 1.00 0.00 H new ATOM 0 H71 DT A 9 -6.396 -0.640 3.454 1.00 0.00 H new ATOM 0 H72 DT A 9 -7.483 -0.914 4.836 1.00 0.00 H new ATOM 0 H73 DT A 9 -6.346 0.455 4.856 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.445 -2.765 3.562 1.00 0.00 H new ATOM 292 P DG A 10 -2.160 -8.338 2.395 1.00 0.00 P ATOM 293 OP1 DG A 10 -3.210 -9.360 2.631 1.00 0.00 O ATOM 294 OP2 DG A 10 -0.805 -8.556 2.947 1.00 0.00 O ATOM 295 O5' DG A 10 -2.004 -8.117 0.797 1.00 0.00 O ATOM 296 C5' DG A 10 -2.834 -8.830 -0.123 1.00 0.00 C ATOM 297 C4' DG A 10 -2.460 -8.653 -1.596 1.00 0.00 C ATOM 298 O4' DG A 10 -2.643 -7.309 -2.045 1.00 0.00 O ATOM 299 C3' DG A 10 -1.034 -9.048 -1.991 1.00 0.00 C ATOM 300 O3' DG A 10 -1.071 -9.779 -3.226 1.00 0.00 O ATOM 301 C2' DG A 10 -0.335 -7.713 -2.085 1.00 0.00 C ATOM 302 C1' DG A 10 -1.450 -6.924 -2.733 1.00 0.00 C ATOM 303 N9 DG A 10 -1.298 -5.478 -2.723 1.00 0.00 N ATOM 304 C8 DG A 10 -1.403 -4.649 -3.775 1.00 0.00 C ATOM 305 N7 DG A 10 -1.241 -3.386 -3.522 1.00 0.00 N ATOM 306 C5 DG A 10 -1.001 -3.391 -2.149 1.00 0.00 C ATOM 307 C6 DG A 10 -0.748 -2.317 -1.269 1.00 0.00 C ATOM 308 O6 DG A 10 -0.713 -1.122 -1.512 1.00 0.00 O ATOM 309 N1 DG A 10 -0.559 -2.721 0.025 1.00 0.00 N ATOM 310 C2 DG A 10 -0.612 -4.041 0.446 1.00 0.00 C ATOM 311 N2 DG A 10 -0.442 -4.324 1.734 1.00 0.00 N ATOM 312 N3 DG A 10 -0.851 -5.063 -0.380 1.00 0.00 N ATOM 313 C4 DG A 10 -1.035 -4.665 -1.655 1.00 0.00 C ATOM 0 H5' DG A 10 -3.866 -8.508 0.016 1.00 0.00 H new ATOM 0 H5'' DG A 10 -2.795 -9.891 0.122 1.00 0.00 H new ATOM 0 H4' DG A 10 -3.147 -9.350 -2.076 1.00 0.00 H new ATOM 0 H3' DG A 10 -0.517 -9.710 -1.296 1.00 0.00 H new ATOM 0 H2' DG A 10 -0.046 -7.317 -1.112 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.568 -7.750 -2.695 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.459 -7.160 -3.797 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.610 -5.011 -4.771 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.367 -2.005 0.725 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.479 -5.292 2.053 1.00 0.00 H new ATOM 0 H22 DG A 10 -0.274 -3.573 2.403 1.00 0.00 H new ATOM 325 P DG A 11 0.208 -10.539 -3.853 1.00 0.00 P ATOM 326 OP1 DG A 11 -0.292 -11.558 -4.804 1.00 0.00 O ATOM 327 OP2 DG A 11 1.107 -10.944 -2.749 1.00 0.00 O ATOM 328 O5' DG A 11 0.933 -9.365 -4.689 1.00 0.00 O ATOM 329 C5' DG A 11 0.374 -8.904 -5.925 1.00 0.00 C ATOM 330 C4' DG A 11 1.007 -7.603 -6.414 1.00 0.00 C ATOM 331 O4' DG A 11 0.748 -6.520 -5.537 1.00 0.00 O ATOM 332 C3' DG A 11 2.502 -7.641 -6.703 1.00 0.00 C ATOM 333 O3' DG A 11 2.609 -7.691 -8.123 1.00 0.00 O ATOM 334 C2' DG A 11 3.001 -6.350 -6.050 1.00 0.00 C ATOM 335 C1' DG A 11 1.755 -5.552 -5.820 1.00 0.00 C ATOM 336 N9 DG A 11 1.883 -4.775 -4.611 1.00 0.00 N ATOM 337 C8 DG A 11 2.278 -5.191 -3.392 1.00 0.00 C ATOM 338 N7 DG A 11 2.328 -4.276 -2.474 1.00 0.00 N ATOM 339 C5 DG A 11 1.916 -3.142 -3.178 1.00 0.00 C ATOM 340 C6 DG A 11 1.754 -1.810 -2.743 1.00 0.00 C ATOM 341 O6 DG A 11 1.970 -1.352 -1.626 1.00 0.00 O ATOM 342 N1 DG A 11 1.314 -0.985 -3.769 1.00 0.00 N ATOM 343 C2 DG A 11 1.061 -1.388 -5.064 1.00 0.00 C ATOM 344 N2 DG A 11 0.643 -0.462 -5.924 1.00 0.00 N ATOM 345 N3 DG A 11 1.218 -2.642 -5.476 1.00 0.00 N ATOM 346 C4 DG A 11 1.641 -3.451 -4.483 1.00 0.00 C ATOM 0 H5' DG A 11 -0.699 -8.756 -5.800 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.503 -9.674 -6.686 1.00 0.00 H new ATOM 0 H4' DG A 11 0.514 -7.458 -7.375 1.00 0.00 H new ATOM 0 H3' DG A 11 3.085 -8.479 -6.321 1.00 0.00 H new ATOM 0 H2' DG A 11 3.523 -6.552 -5.115 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.700 -5.820 -6.697 1.00 0.00 H new ATOM 0 H1' DG A 11 1.549 -4.903 -6.671 1.00 0.00 H new ATOM 0 H8 DG A 11 2.536 -6.220 -3.192 1.00 0.00 H new ATOM 0 H1 DG A 11 1.166 -0.000 -3.547 1.00 0.00 H new ATOM 0 H21 DG A 11 0.444 -0.717 -6.891 1.00 0.00 H new ATOM 0 H22 DG A 11 0.521 0.503 -5.616 1.00 0.00 H new ATOM 358 P DT A 12 3.350 -8.907 -8.860 1.00 0.00 P ATOM 359 OP1 DT A 12 2.893 -8.955 -10.267 1.00 0.00 O ATOM 360 OP2 DT A 12 3.276 -10.116 -8.006 1.00 0.00 O ATOM 361 O5' DT A 12 4.830 -8.298 -8.810 1.00 0.00 O ATOM 362 C5' DT A 12 5.987 -8.989 -8.344 1.00 0.00 C ATOM 363 C4' DT A 12 7.013 -7.991 -7.816 1.00 0.00 C ATOM 364 O4' DT A 12 7.240 -6.959 -8.795 1.00 0.00 O ATOM 365 C3' DT A 12 6.576 -7.235 -6.551 1.00 0.00 C ATOM 366 O3' DT A 12 6.797 -8.010 -5.366 1.00 0.00 O ATOM 367 C2' DT A 12 7.581 -6.111 -6.615 1.00 0.00 C ATOM 368 C1' DT A 12 7.660 -5.768 -8.101 1.00 0.00 C ATOM 369 N1 DT A 12 6.993 -4.489 -8.470 1.00 0.00 N ATOM 370 C2 DT A 12 7.698 -3.325 -8.160 1.00 0.00 C ATOM 371 O2 DT A 12 8.800 -3.329 -7.614 1.00 0.00 O ATOM 372 N3 DT A 12 7.094 -2.133 -8.500 1.00 0.00 N ATOM 373 C4 DT A 12 5.868 -1.986 -9.112 1.00 0.00 C ATOM 374 O4 DT A 12 5.436 -0.861 -9.358 1.00 0.00 O ATOM 375 C5 DT A 12 5.193 -3.238 -9.404 1.00 0.00 C ATOM 376 C7 DT A 12 3.822 -3.179 -10.089 1.00 0.00 C ATOM 377 C6 DT A 12 5.756 -4.433 -9.082 1.00 0.00 C ATOM 0 H5' DT A 12 6.421 -9.576 -9.154 1.00 0.00 H new ATOM 0 H5'' DT A 12 5.710 -9.689 -7.556 1.00 0.00 H new ATOM 0 H4' DT A 12 7.890 -8.599 -7.594 1.00 0.00 H new ATOM 0 H3' DT A 12 5.522 -6.960 -6.514 1.00 0.00 H new ATOM 0 H2' DT A 12 7.259 -5.254 -6.024 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.551 -6.420 -6.225 1.00 0.00 H new ATOM 0 H1' DT A 12 8.675 -5.522 -8.413 1.00 0.00 H new ATOM 0 H3 DT A 12 7.604 -1.278 -8.277 1.00 0.00 H new ATOM 0 H71 DT A 12 3.683 -4.070 -10.701 1.00 0.00 H new ATOM 0 H72 DT A 12 3.039 -3.132 -9.332 1.00 0.00 H new ATOM 0 H73 DT A 12 3.769 -2.293 -10.721 1.00 0.00 H new ATOM 0 H6 DT A 12 5.230 -5.349 -9.307 1.00 0.00 H new ATOM 390 P DT A 13 6.034 -7.777 -3.958 1.00 0.00 P ATOM 391 OP1 DT A 13 6.584 -8.761 -3.000 1.00 0.00 O ATOM 392 OP2 DT A 13 4.579 -7.761 -4.214 1.00 0.00 O ATOM 393 O5' DT A 13 6.471 -6.298 -3.454 1.00 0.00 O ATOM 394 C5' DT A 13 7.713 -6.063 -2.772 1.00 0.00 C ATOM 395 C4' DT A 13 7.639 -4.907 -1.755 1.00 0.00 C ATOM 396 O4' DT A 13 7.395 -3.611 -2.343 1.00 0.00 O ATOM 397 C3' DT A 13 6.549 -5.121 -0.689 1.00 0.00 C ATOM 398 O3' DT A 13 6.917 -4.578 0.591 1.00 0.00 O ATOM 399 C2' DT A 13 5.444 -4.271 -1.279 1.00 0.00 C ATOM 400 C1' DT A 13 6.191 -3.047 -1.785 1.00 0.00 C ATOM 401 N1 DT A 13 5.460 -2.216 -2.777 1.00 0.00 N ATOM 402 C2 DT A 13 5.026 -0.944 -2.407 1.00 0.00 C ATOM 403 O2 DT A 13 5.186 -0.468 -1.283 1.00 0.00 O ATOM 404 N3 DT A 13 4.379 -0.216 -3.391 1.00 0.00 N ATOM 405 C4 DT A 13 4.127 -0.634 -4.684 1.00 0.00 C ATOM 406 O4 DT A 13 3.550 0.109 -5.475 1.00 0.00 O ATOM 407 C5 DT A 13 4.608 -1.967 -4.970 1.00 0.00 C ATOM 408 C7 DT A 13 4.393 -2.577 -6.347 1.00 0.00 C ATOM 409 C6 DT A 13 5.241 -2.695 -4.038 1.00 0.00 C ATOM 0 H5' DT A 13 8.487 -5.843 -3.507 1.00 0.00 H new ATOM 0 H5'' DT A 13 8.014 -6.974 -2.255 1.00 0.00 H new ATOM 0 H4' DT A 13 8.632 -4.917 -1.306 1.00 0.00 H new ATOM 0 H3' DT A 13 6.321 -6.170 -0.502 1.00 0.00 H new ATOM 0 H2' DT A 13 4.923 -4.788 -2.085 1.00 0.00 H new ATOM 0 H2'' DT A 13 4.695 -4.007 -0.533 1.00 0.00 H new ATOM 0 H1' DT A 13 6.357 -2.334 -0.977 1.00 0.00 H new ATOM 0 H3 DT A 13 4.058 0.718 -3.137 1.00 0.00 H new ATOM 0 H71 DT A 13 5.205 -3.269 -6.569 1.00 0.00 H new ATOM 0 H72 DT A 13 3.444 -3.114 -6.363 1.00 0.00 H new ATOM 0 H73 DT A 13 4.375 -1.786 -7.097 1.00 0.00 H new ATOM 0 H6 DT A 13 5.587 -3.686 -4.291 1.00 0.00 H new ATOM 422 P DG A 14 8.035 -5.228 1.560 1.00 0.00 P ATOM 423 OP1 DG A 14 9.186 -4.297 1.587 1.00 0.00 O ATOM 424 OP2 DG A 14 8.246 -6.639 1.164 1.00 0.00 O ATOM 425 O5' DG A 14 7.359 -5.208 3.025 1.00 0.00 O ATOM 426 C5' DG A 14 6.260 -6.050 3.397 1.00 0.00 C ATOM 427 C4' DG A 14 5.903 -5.871 4.882 1.00 0.00 C ATOM 428 O4' DG A 14 5.552 -4.500 5.140 1.00 0.00 O ATOM 429 C3' DG A 14 4.693 -6.697 5.340 1.00 0.00 C ATOM 430 O3' DG A 14 4.723 -6.882 6.769 1.00 0.00 O ATOM 431 C2' DG A 14 3.587 -5.769 4.898 1.00 0.00 C ATOM 432 C1' DG A 14 4.125 -4.402 5.292 1.00 0.00 C ATOM 433 N9 DG A 14 3.637 -3.296 4.450 1.00 0.00 N ATOM 434 C8 DG A 14 3.512 -1.989 4.787 1.00 0.00 C ATOM 435 N7 DG A 14 3.071 -1.204 3.859 1.00 0.00 N ATOM 436 C5 DG A 14 2.879 -2.065 2.790 1.00 0.00 C ATOM 437 C6 DG A 14 2.407 -1.784 1.489 1.00 0.00 C ATOM 438 O6 DG A 14 2.068 -0.693 1.040 1.00 0.00 O ATOM 439 N1 DG A 14 2.357 -2.926 0.707 1.00 0.00 N ATOM 440 C2 DG A 14 2.718 -4.192 1.130 1.00 0.00 C ATOM 441 N2 DG A 14 2.592 -5.180 0.246 1.00 0.00 N ATOM 442 N3 DG A 14 3.163 -4.456 2.360 1.00 0.00 N ATOM 443 C4 DG A 14 3.220 -3.349 3.135 1.00 0.00 C ATOM 0 H5' DG A 14 6.515 -7.092 3.204 1.00 0.00 H new ATOM 0 H5'' DG A 14 5.393 -5.815 2.780 1.00 0.00 H new ATOM 0 H4' DG A 14 6.790 -6.202 5.423 1.00 0.00 H new ATOM 0 H3' DG A 14 4.617 -7.710 4.944 1.00 0.00 H new ATOM 0 H2' DG A 14 3.403 -5.839 3.826 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.645 -5.994 5.398 1.00 0.00 H new ATOM 0 H1' DG A 14 3.793 -4.168 6.304 1.00 0.00 H new ATOM 0 H8 DG A 14 3.766 -1.625 5.772 1.00 0.00 H new ATOM 0 H1 DG A 14 2.029 -2.826 -0.254 1.00 0.00 H new ATOM 0 H21 DG A 14 2.845 -6.133 0.507 1.00 0.00 H new ATOM 0 H22 DG A 14 2.243 -4.984 -0.692 1.00 0.00 H new ATOM 455 P DG A 15 3.430 -7.273 7.665 1.00 0.00 P ATOM 456 OP1 DG A 15 3.920 -7.772 8.970 1.00 0.00 O ATOM 457 OP2 DG A 15 2.533 -8.121 6.849 1.00 0.00 O ATOM 458 O5' DG A 15 2.691 -5.851 7.907 1.00 0.00 O ATOM 459 C5' DG A 15 3.136 -4.954 8.936 1.00 0.00 C ATOM 460 C4' DG A 15 2.127 -3.847 9.287 1.00 0.00 C ATOM 461 O4' DG A 15 1.924 -2.928 8.191 1.00 0.00 O ATOM 462 C3' DG A 15 0.736 -4.373 9.671 1.00 0.00 C ATOM 463 O3' DG A 15 0.101 -3.442 10.555 1.00 0.00 O ATOM 464 C2' DG A 15 0.048 -4.293 8.326 1.00 0.00 C ATOM 465 C1' DG A 15 0.537 -2.950 7.805 1.00 0.00 C ATOM 466 N9 DG A 15 0.372 -2.722 6.356 1.00 0.00 N ATOM 467 C8 DG A 15 0.643 -3.550 5.312 1.00 0.00 C ATOM 468 N7 DG A 15 0.410 -3.070 4.131 1.00 0.00 N ATOM 469 C5 DG A 15 -0.065 -1.794 4.405 1.00 0.00 C ATOM 470 C6 DG A 15 -0.488 -0.778 3.511 1.00 0.00 C ATOM 471 O6 DG A 15 -0.523 -0.824 2.282 1.00 0.00 O ATOM 472 N1 DG A 15 -0.895 0.359 4.193 1.00 0.00 N ATOM 473 C2 DG A 15 -0.895 0.509 5.565 1.00 0.00 C ATOM 474 N2 DG A 15 -1.326 1.678 6.049 1.00 0.00 N ATOM 475 N3 DG A 15 -0.494 -0.450 6.406 1.00 0.00 N ATOM 476 C4 DG A 15 -0.094 -1.570 5.760 1.00 0.00 C ATOM 0 H5' DG A 15 4.071 -4.491 8.620 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.354 -5.530 9.835 1.00 0.00 H new ATOM 0 H4' DG A 15 2.581 -3.351 10.145 1.00 0.00 H new ATOM 0 H3' DG A 15 0.729 -5.348 10.158 1.00 0.00 H new ATOM 0 H2' DG A 15 0.335 -5.115 7.670 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.038 -4.324 8.420 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.787 -3.776 10.799 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.063 -2.143 8.225 1.00 0.00 H new ATOM 0 H8 DG A 15 1.029 -4.548 5.458 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.221 1.148 3.635 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.345 1.837 7.056 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.636 2.411 5.411 1.00 0.00 H new TER 489 DG A 15