USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 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 O3' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.325 (180deg=-0.516) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl 150:sc= -0.0525 (180deg=-0.0525) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.721 1.320 7.029 1.00 0.00 P ATOM 2 OP1 DG A 1 11.303 2.042 8.245 1.00 0.00 O ATOM 3 OP2 DG A 1 11.890 0.703 6.253 1.00 0.00 O ATOM 4 O5' DG A 1 9.961 2.442 6.116 1.00 0.00 O ATOM 5 C5' DG A 1 9.935 2.318 4.664 1.00 0.00 C ATOM 6 C4' DG A 1 10.021 3.658 3.907 1.00 0.00 C ATOM 7 O4' DG A 1 9.704 3.341 2.526 1.00 0.00 O ATOM 8 C3' DG A 1 9.046 4.773 4.343 1.00 0.00 C ATOM 9 O3' DG A 1 9.752 5.885 4.883 1.00 0.00 O ATOM 10 C2' DG A 1 8.379 5.221 3.037 1.00 0.00 C ATOM 11 C1' DG A 1 8.518 4.026 2.082 1.00 0.00 C ATOM 12 N9 DG A 1 7.305 3.122 2.078 1.00 0.00 N ATOM 13 C8 DG A 1 6.509 2.681 3.130 1.00 0.00 C ATOM 14 N7 DG A 1 5.267 2.142 2.943 1.00 0.00 N ATOM 15 C5 DG A 1 5.251 2.220 1.578 1.00 0.00 C ATOM 16 C6 DG A 1 4.038 1.907 0.675 1.00 0.00 C ATOM 17 O6 DG A 1 2.958 1.520 1.128 1.00 0.00 O ATOM 18 N1 DG A 1 4.251 2.122 -0.658 1.00 0.00 N ATOM 19 C2 DG A 1 5.539 2.618 -1.203 1.00 0.00 C ATOM 20 N2 DG A 1 5.693 2.793 -2.591 1.00 0.00 N ATOM 21 N3 DG A 1 6.526 2.903 -0.414 1.00 0.00 N ATOM 22 C4 DG A 1 6.464 2.761 1.023 1.00 0.00 C ATOM 0 H5' DG A 1 9.017 1.808 4.372 1.00 0.00 H new ATOM 0 H5'' DG A 1 10.765 1.684 4.351 1.00 0.00 H new ATOM 0 H4' DG A 1 11.015 4.059 4.102 1.00 0.00 H new ATOM 0 H3' DG A 1 8.349 4.420 5.103 1.00 0.00 H new ATOM 0 H2' DG A 1 7.332 5.477 3.198 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.865 6.108 2.631 1.00 0.00 H new ATOM 0 HO3' DG A 1 9.114 6.579 5.151 1.00 0.00 H new ATOM 0 H1' DG A 1 8.595 4.356 1.046 1.00 0.00 H new ATOM 0 H8 DG A 1 6.888 2.768 4.137 1.00 0.00 H new ATOM 0 H1 DG A 1 3.489 1.933 -1.309 1.00 0.00 H new ATOM 0 H21 DG A 1 6.578 3.134 -2.967 1.00 0.00 H new ATOM 0 H22 DG A 1 4.920 2.579 -3.221 1.00 0.00 H new ATOM 35 P DG A 2 5.212 -4.161 7.337 1.00 0.00 P ATOM 36 OP1 DG A 2 3.796 -3.852 6.852 1.00 0.00 O ATOM 37 OP2 DG A 2 5.124 -4.806 8.723 1.00 0.00 O ATOM 38 O5' DG A 2 6.075 -2.776 7.430 1.00 0.00 O ATOM 39 C5' DG A 2 7.340 -2.694 8.121 1.00 0.00 C ATOM 40 C4' DG A 2 8.350 -1.807 7.360 1.00 0.00 C ATOM 41 O4' DG A 2 8.186 -2.061 5.946 1.00 0.00 O ATOM 42 C3' DG A 2 8.376 -0.265 7.438 1.00 0.00 C ATOM 43 O3' DG A 2 9.777 0.104 7.591 1.00 0.00 O ATOM 44 C2' DG A 2 7.590 0.222 6.242 1.00 0.00 C ATOM 45 C1' DG A 2 7.936 -0.848 5.212 1.00 0.00 C ATOM 46 N9 DG A 2 6.860 -1.039 4.178 1.00 0.00 N ATOM 47 C8 DG A 2 7.004 -1.203 2.809 1.00 0.00 C ATOM 48 N7 DG A 2 5.931 -1.446 1.991 1.00 0.00 N ATOM 49 C5 DG A 2 4.952 -1.413 2.951 1.00 0.00 C ATOM 50 C6 DG A 2 3.431 -1.579 2.713 1.00 0.00 C ATOM 51 O6 DG A 2 2.935 -1.784 1.609 1.00 0.00 O ATOM 52 N1 DG A 2 2.656 -1.482 3.826 1.00 0.00 N ATOM 53 C2 DG A 2 3.212 -1.217 5.170 1.00 0.00 C ATOM 54 N2 DG A 2 2.338 -1.138 6.273 1.00 0.00 N ATOM 55 N3 DG A 2 4.489 -1.065 5.340 1.00 0.00 N ATOM 56 C4 DG A 2 5.461 -1.161 4.269 1.00 0.00 C ATOM 0 H5' DG A 2 7.754 -3.695 8.242 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.183 -2.291 9.121 1.00 0.00 H new ATOM 0 H4' DG A 2 9.257 -2.107 7.885 1.00 0.00 H new ATOM 0 H3' DG A 2 7.888 0.221 8.283 1.00 0.00 H new ATOM 0 H2' DG A 2 6.520 0.270 6.443 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.899 1.217 5.923 1.00 0.00 H new ATOM 0 H1' DG A 2 8.814 -0.542 4.643 1.00 0.00 H new ATOM 0 H8 DG A 2 7.990 -1.137 2.374 1.00 0.00 H new ATOM 0 H1 DG A 2 1.647 -1.597 3.729 1.00 0.00 H new ATOM 0 H21 DG A 2 2.709 -0.956 7.206 1.00 0.00 H new ATOM 0 H22 DG A 2 1.335 -1.263 6.139 1.00 0.00 H new ATOM 68 O5' DT A 3 6.570 -4.586 1.834 1.00 0.00 O ATOM 69 C5' DT A 3 5.622 -5.393 2.564 1.00 0.00 C ATOM 70 C4' DT A 3 6.161 -5.922 3.919 1.00 0.00 C ATOM 71 O4' DT A 3 7.386 -6.657 3.691 1.00 0.00 O ATOM 72 C3' DT A 3 6.449 -4.855 5.008 1.00 0.00 C ATOM 73 O3' DT A 3 5.900 -5.220 6.297 1.00 0.00 O ATOM 74 C2' DT A 3 7.971 -4.874 5.110 1.00 0.00 C ATOM 75 C1' DT A 3 8.365 -6.288 4.673 1.00 0.00 C ATOM 76 N1 DT A 3 9.763 -6.432 4.151 1.00 0.00 N ATOM 77 C2 DT A 3 10.603 -7.426 4.651 1.00 0.00 C ATOM 78 O2 DT A 3 10.246 -8.226 5.518 1.00 0.00 O ATOM 79 N3 DT A 3 11.885 -7.555 4.190 1.00 0.00 N ATOM 80 C4 DT A 3 12.447 -6.758 3.235 1.00 0.00 C ATOM 81 O4 DT A 3 13.610 -6.945 2.878 1.00 0.00 O ATOM 82 C5 DT A 3 11.553 -5.630 2.638 1.00 0.00 C ATOM 83 C7 DT A 3 12.077 -4.703 1.563 1.00 0.00 C ATOM 84 C6 DT A 3 10.278 -5.522 3.085 1.00 0.00 C ATOM 0 H5' DT A 3 5.328 -6.241 1.945 1.00 0.00 H new ATOM 0 H5'' DT A 3 4.723 -4.805 2.746 1.00 0.00 H new ATOM 0 H4' DT A 3 5.351 -6.538 4.309 1.00 0.00 H new ATOM 0 H3' DT A 3 6.011 -3.891 4.750 1.00 0.00 H new ATOM 0 H2' DT A 3 8.422 -4.119 4.466 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.304 -4.665 6.127 1.00 0.00 H new ATOM 0 H1' DT A 3 8.373 -6.949 5.540 1.00 0.00 H new ATOM 0 H3 DT A 3 12.460 -8.298 4.587 1.00 0.00 H new ATOM 0 H71 DT A 3 11.253 -4.381 0.927 1.00 0.00 H new ATOM 0 H72 DT A 3 12.539 -3.832 2.027 1.00 0.00 H new ATOM 0 H73 DT A 3 12.818 -5.228 0.960 1.00 0.00 H new ATOM 0 H6 DT A 3 9.627 -4.769 2.665 1.00 0.00 H new ATOM 97 P DT A 4 7.488 -5.124 0.596 1.00 0.00 P ATOM 98 OP1 DT A 4 8.557 -4.073 0.290 1.00 0.00 O ATOM 99 OP2 DT A 4 8.177 -6.430 1.000 1.00 0.00 O ATOM 100 O5' DT A 4 6.609 -5.384 -0.750 1.00 0.00 O ATOM 101 C5' DT A 4 7.172 -6.168 -1.828 1.00 0.00 C ATOM 102 C4' DT A 4 6.279 -6.258 -3.085 1.00 0.00 C ATOM 103 O4' DT A 4 4.917 -6.539 -2.699 1.00 0.00 O ATOM 104 C3' DT A 4 6.260 -5.008 -3.990 1.00 0.00 C ATOM 105 O3' DT A 4 6.218 -5.419 -5.375 1.00 0.00 O ATOM 106 C2' DT A 4 4.941 -4.353 -3.603 1.00 0.00 C ATOM 107 C1' DT A 4 4.036 -5.541 -3.252 1.00 0.00 C ATOM 108 N1 DT A 4 2.914 -5.167 -2.338 1.00 0.00 N ATOM 109 C2 DT A 4 1.741 -4.635 -2.865 1.00 0.00 C ATOM 110 O2 DT A 4 1.572 -4.466 -4.075 1.00 0.00 O ATOM 111 N3 DT A 4 0.721 -4.256 -2.043 1.00 0.00 N ATOM 112 C4 DT A 4 0.754 -4.341 -0.683 1.00 0.00 C ATOM 113 O4 DT A 4 -0.181 -3.903 -0.016 1.00 0.00 O ATOM 114 C5 DT A 4 2.015 -4.986 -0.040 1.00 0.00 C ATOM 115 C7 DT A 4 2.076 -5.184 1.459 1.00 0.00 C ATOM 116 C6 DT A 4 3.039 -5.339 -0.859 1.00 0.00 C ATOM 0 H5' DT A 4 7.368 -7.176 -1.464 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.133 -5.738 -2.110 1.00 0.00 H new ATOM 0 H4' DT A 4 6.728 -7.058 -3.673 1.00 0.00 H new ATOM 0 H3' DT A 4 7.126 -4.356 -3.875 1.00 0.00 H new ATOM 0 H2' DT A 4 5.062 -3.678 -2.756 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.530 -3.765 -4.423 1.00 0.00 H new ATOM 0 H1' DT A 4 3.519 -5.923 -4.132 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.124 -3.883 -2.475 1.00 0.00 H new ATOM 0 H71 DT A 4 2.690 -6.055 1.686 1.00 0.00 H new ATOM 0 H72 DT A 4 2.513 -4.301 1.925 1.00 0.00 H new ATOM 0 H73 DT A 4 1.069 -5.339 1.847 1.00 0.00 H new ATOM 0 H6 DT A 4 3.947 -5.746 -0.440 1.00 0.00 H new ATOM 129 P DG A 5 6.983 -4.662 -6.595 1.00 0.00 P ATOM 130 OP1 DG A 5 6.920 -5.558 -7.835 1.00 0.00 O ATOM 131 OP2 DG A 5 8.449 -4.425 -6.223 1.00 0.00 O ATOM 132 O5' DG A 5 6.270 -3.240 -6.914 1.00 0.00 O ATOM 133 C5' DG A 5 6.398 -2.570 -8.189 1.00 0.00 C ATOM 134 C4' DG A 5 5.956 -1.086 -8.107 1.00 0.00 C ATOM 135 O4' DG A 5 4.724 -1.030 -7.393 1.00 0.00 O ATOM 136 C3' DG A 5 7.019 -0.150 -7.449 1.00 0.00 C ATOM 137 O3' DG A 5 7.027 1.295 -7.670 1.00 0.00 O ATOM 138 C2' DG A 5 6.411 -0.182 -6.035 1.00 0.00 C ATOM 139 C1' DG A 5 4.894 -0.099 -6.343 1.00 0.00 C ATOM 140 N9 DG A 5 3.980 -0.411 -5.214 1.00 0.00 N ATOM 141 C8 DG A 5 2.619 -0.609 -5.299 1.00 0.00 C ATOM 142 N7 DG A 5 1.858 -0.957 -4.219 1.00 0.00 N ATOM 143 C5 DG A 5 2.883 -1.046 -3.315 1.00 0.00 C ATOM 144 C6 DG A 5 2.731 -1.267 -1.797 1.00 0.00 C ATOM 145 O6 DG A 5 1.624 -1.364 -1.261 1.00 0.00 O ATOM 146 N1 DG A 5 3.914 -1.321 -1.108 1.00 0.00 N ATOM 147 C2 DG A 5 5.237 -1.124 -1.759 1.00 0.00 C ATOM 148 N2 DG A 5 6.427 -1.220 -1.019 1.00 0.00 N ATOM 149 N3 DG A 5 5.316 -0.866 -3.021 1.00 0.00 N ATOM 150 C4 DG A 5 4.173 -0.807 -3.895 1.00 0.00 C ATOM 0 H5' DG A 5 5.794 -3.088 -8.934 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.434 -2.623 -8.525 1.00 0.00 H new ATOM 0 H4' DG A 5 5.838 -0.713 -9.124 1.00 0.00 H new ATOM 0 H3' DG A 5 8.005 -0.489 -7.768 1.00 0.00 H new ATOM 0 H2' DG A 5 6.670 -1.095 -5.499 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.751 0.654 -5.424 1.00 0.00 H new ATOM 0 H1' DG A 5 4.623 0.929 -6.584 1.00 0.00 H new ATOM 0 H8 DG A 5 2.135 -0.484 -6.256 1.00 0.00 H new ATOM 0 H1 DG A 5 3.886 -1.504 -0.105 1.00 0.00 H new ATOM 0 H21 DG A 5 7.327 -1.082 -1.480 1.00 0.00 H new ATOM 0 H22 DG A 5 6.392 -1.427 -0.021 1.00 0.00 H new ATOM 162 P DG A 6 6.335 2.242 -8.791 1.00 0.00 P ATOM 163 OP1 DG A 6 7.350 2.543 -9.895 1.00 0.00 O ATOM 164 OP2 DG A 6 5.897 3.552 -8.130 1.00 0.00 O ATOM 165 O5' DG A 6 5.054 1.504 -9.429 1.00 0.00 O ATOM 166 C5' DG A 6 4.137 2.139 -10.330 1.00 0.00 C ATOM 167 C4' DG A 6 2.668 2.025 -9.828 1.00 0.00 C ATOM 168 O4' DG A 6 2.630 1.655 -8.407 1.00 0.00 O ATOM 169 C3' DG A 6 1.871 3.356 -9.881 1.00 0.00 C ATOM 170 O3' DG A 6 0.557 3.064 -10.403 1.00 0.00 O ATOM 171 C2' DG A 6 1.778 3.836 -8.435 1.00 0.00 C ATOM 172 C1' DG A 6 1.684 2.501 -7.712 1.00 0.00 C ATOM 173 N9 DG A 6 1.902 2.630 -6.235 1.00 0.00 N ATOM 174 C8 DG A 6 3.025 2.941 -5.468 1.00 0.00 C ATOM 175 N7 DG A 6 2.991 2.889 -4.092 1.00 0.00 N ATOM 176 C5 DG A 6 1.664 2.538 -3.954 1.00 0.00 C ATOM 177 C6 DG A 6 0.910 2.247 -2.628 1.00 0.00 C ATOM 178 O6 DG A 6 1.441 2.285 -1.521 1.00 0.00 O ATOM 179 N1 DG A 6 -0.416 1.959 -2.766 1.00 0.00 N ATOM 180 C2 DG A 6 -1.093 1.913 -4.080 1.00 0.00 C ATOM 181 N2 DG A 6 -2.483 1.716 -4.136 1.00 0.00 N ATOM 182 N3 DG A 6 -0.425 2.078 -5.177 1.00 0.00 N ATOM 183 C4 DG A 6 0.981 2.413 -5.211 1.00 0.00 C ATOM 0 H5' DG A 6 4.221 1.683 -11.317 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.404 3.190 -10.440 1.00 0.00 H new ATOM 0 H4' DG A 6 2.227 1.284 -10.495 1.00 0.00 H new ATOM 0 H3' DG A 6 2.336 4.114 -10.511 1.00 0.00 H new ATOM 0 H2' DG A 6 2.652 4.412 -8.131 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.905 4.465 -8.261 1.00 0.00 H new ATOM 0 H1' DG A 6 0.687 2.062 -7.747 1.00 0.00 H new ATOM 0 H8 DG A 6 3.940 3.229 -5.964 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.964 1.767 -1.927 1.00 0.00 H new ATOM 0 H21 DG A 6 -2.957 1.683 -5.038 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.018 1.606 -3.274 1.00 0.00 H new ATOM 195 P DT A 7 -0.460 4.171 -11.002 1.00 0.00 P ATOM 196 OP1 DT A 7 -1.448 3.478 -11.942 1.00 0.00 O ATOM 197 OP2 DT A 7 0.308 5.250 -11.771 1.00 0.00 O ATOM 198 O5' DT A 7 -1.267 4.834 -9.766 1.00 0.00 O ATOM 199 C5' DT A 7 -2.323 5.788 -9.938 1.00 0.00 C ATOM 200 C4' DT A 7 -3.376 5.629 -8.824 1.00 0.00 C ATOM 201 O4' DT A 7 -3.881 4.278 -8.855 1.00 0.00 O ATOM 202 C3' DT A 7 -2.871 5.904 -7.389 1.00 0.00 C ATOM 203 O3' DT A 7 -3.813 6.750 -6.702 1.00 0.00 O ATOM 204 C2' DT A 7 -2.836 4.518 -6.743 1.00 0.00 C ATOM 205 C1' DT A 7 -3.888 3.723 -7.530 1.00 0.00 C ATOM 206 N1 DT A 7 -3.651 2.246 -7.559 1.00 0.00 N ATOM 207 C2 DT A 7 -4.525 1.375 -6.913 1.00 0.00 C ATOM 208 O2 DT A 7 -5.512 1.763 -6.285 1.00 0.00 O ATOM 209 N3 DT A 7 -4.311 0.026 -6.946 1.00 0.00 N ATOM 210 C4 DT A 7 -3.260 -0.575 -7.576 1.00 0.00 C ATOM 211 O4 DT A 7 -3.150 -1.801 -7.560 1.00 0.00 O ATOM 212 C5 DT A 7 -2.238 0.355 -8.298 1.00 0.00 C ATOM 213 C7 DT A 7 -1.007 -0.232 -8.955 1.00 0.00 C ATOM 214 C6 DT A 7 -2.467 1.692 -8.280 1.00 0.00 C ATOM 0 H5' DT A 7 -2.791 5.650 -10.913 1.00 0.00 H new ATOM 0 H5'' DT A 7 -1.915 6.799 -9.920 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.135 6.383 -9.035 1.00 0.00 H new ATOM 0 H3' DT A 7 -1.904 6.406 -7.360 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.848 4.064 -6.823 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.080 4.565 -5.682 1.00 0.00 H new ATOM 0 H1' DT A 7 -4.857 3.818 -7.040 1.00 0.00 H new ATOM 0 H3 DT A 7 -4.983 -0.573 -6.467 1.00 0.00 H new ATOM 0 H71 DT A 7 -0.718 0.387 -9.804 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.190 -0.264 -8.234 1.00 0.00 H new ATOM 0 H73 DT A 7 -1.226 -1.243 -9.300 1.00 0.00 H new ATOM 0 H6 DT A 7 -1.789 2.360 -8.790 1.00 0.00 H new ATOM 227 P DG A 8 -3.399 7.803 -5.537 1.00 0.00 P ATOM 228 OP1 DG A 8 -4.630 8.635 -5.174 1.00 0.00 O ATOM 229 OP2 DG A 8 -2.299 8.740 -6.044 1.00 0.00 O ATOM 230 O5' DG A 8 -2.900 7.013 -4.213 1.00 0.00 O ATOM 231 C5' DG A 8 -1.551 6.562 -4.018 1.00 0.00 C ATOM 232 C4' DG A 8 -1.467 5.729 -2.727 1.00 0.00 C ATOM 233 O4' DG A 8 -0.143 5.179 -2.612 1.00 0.00 O ATOM 234 C3' DG A 8 -1.740 6.530 -1.437 1.00 0.00 C ATOM 235 O3' DG A 8 -2.588 5.768 -0.547 1.00 0.00 O ATOM 236 C2' DG A 8 -0.346 6.731 -0.844 1.00 0.00 C ATOM 237 C1' DG A 8 0.415 5.492 -1.325 1.00 0.00 C ATOM 238 N9 DG A 8 1.892 5.717 -1.410 1.00 0.00 N ATOM 239 C8 DG A 8 2.697 6.015 -2.503 1.00 0.00 C ATOM 240 N7 DG A 8 4.049 6.236 -2.372 1.00 0.00 N ATOM 241 C5 DG A 8 4.124 6.061 -1.006 1.00 0.00 C ATOM 242 C6 DG A 8 5.389 6.226 -0.123 1.00 0.00 C ATOM 243 O6 DG A 8 6.498 6.502 -0.579 1.00 0.00 O ATOM 244 N1 DG A 8 5.189 6.038 1.215 1.00 0.00 N ATOM 245 C2 DG A 8 3.871 5.682 1.788 1.00 0.00 C ATOM 246 N2 DG A 8 3.744 5.492 3.179 1.00 0.00 N ATOM 247 N3 DG A 8 2.833 5.545 1.025 1.00 0.00 N ATOM 248 C4 DG A 8 2.859 5.735 -0.406 1.00 0.00 C ATOM 0 H5' DG A 8 -0.877 7.416 -3.956 1.00 0.00 H new ATOM 0 H5'' DG A 8 -1.230 5.963 -4.871 1.00 0.00 H new ATOM 0 H4' DG A 8 -2.241 4.967 -2.814 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.259 7.473 -1.609 1.00 0.00 H new ATOM 0 H2' DG A 8 0.115 7.652 -1.201 1.00 0.00 H new ATOM 0 H2'' DG A 8 -0.375 6.790 0.244 1.00 0.00 H new ATOM 0 H1' DG A 8 0.302 4.670 -0.618 1.00 0.00 H new ATOM 0 H8 DG A 8 2.249 6.075 -3.484 1.00 0.00 H new ATOM 0 H1 DG A 8 5.982 6.148 1.847 1.00 0.00 H new ATOM 0 H21 DG A 8 2.839 5.247 3.580 1.00 0.00 H new ATOM 0 H22 DG A 8 4.557 5.600 3.785 1.00 0.00 H new ATOM 260 P DT A 9 -3.645 6.491 0.450 1.00 0.00 P ATOM 261 OP1 DT A 9 -4.528 7.451 -0.352 1.00 0.00 O ATOM 262 OP2 DT A 9 -2.871 7.280 1.511 1.00 0.00 O ATOM 263 O5' DT A 9 -4.586 5.389 1.178 1.00 0.00 O ATOM 264 C5' DT A 9 -5.595 5.802 2.118 1.00 0.00 C ATOM 265 C4' DT A 9 -6.053 4.634 3.022 1.00 0.00 C ATOM 266 O4' DT A 9 -4.924 3.879 3.485 1.00 0.00 O ATOM 267 C3' DT A 9 -6.778 5.079 4.300 1.00 0.00 C ATOM 268 O3' DT A 9 -7.643 4.031 4.781 1.00 0.00 O ATOM 269 C2' DT A 9 -5.615 5.275 5.276 1.00 0.00 C ATOM 270 C1' DT A 9 -4.574 4.219 4.845 1.00 0.00 C ATOM 271 N1 DT A 9 -3.137 4.635 4.973 1.00 0.00 N ATOM 272 C2 DT A 9 -2.596 4.923 6.224 1.00 0.00 C ATOM 273 O2 DT A 9 -3.263 4.865 7.259 1.00 0.00 O ATOM 274 N3 DT A 9 -1.282 5.280 6.352 1.00 0.00 N ATOM 275 C4 DT A 9 -0.399 5.358 5.314 1.00 0.00 C ATOM 276 O4 DT A 9 0.775 5.667 5.518 1.00 0.00 O ATOM 277 C5 DT A 9 -0.944 5.019 3.896 1.00 0.00 C ATOM 278 C7 DT A 9 -0.029 5.074 2.697 1.00 0.00 C ATOM 279 C6 DT A 9 -2.249 4.679 3.774 1.00 0.00 C ATOM 0 H5' DT A 9 -6.453 6.201 1.577 1.00 0.00 H new ATOM 0 H5'' DT A 9 -5.205 6.610 2.738 1.00 0.00 H new ATOM 0 H4' DT A 9 -6.730 4.059 2.390 1.00 0.00 H new ATOM 0 H3' DT A 9 -7.404 5.960 4.162 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.208 6.284 5.212 1.00 0.00 H new ATOM 0 H2'' DT A 9 -5.932 5.124 6.308 1.00 0.00 H new ATOM 0 H1' DT A 9 -4.622 3.367 5.523 1.00 0.00 H new ATOM 0 H3 DT A 9 -0.939 5.503 7.286 1.00 0.00 H new ATOM 0 H71 DT A 9 0.744 5.824 2.863 1.00 0.00 H new ATOM 0 H72 DT A 9 0.437 4.100 2.550 1.00 0.00 H new ATOM 0 H73 DT A 9 -0.606 5.338 1.811 1.00 0.00 H new ATOM 0 H6 DT A 9 -2.651 4.438 2.801 1.00 0.00 H new ATOM 292 P DG A 10 -9.224 3.966 4.423 1.00 0.00 P ATOM 293 OP1 DG A 10 -9.895 5.275 4.845 1.00 0.00 O ATOM 294 OP2 DG A 10 -9.869 2.807 5.187 1.00 0.00 O ATOM 295 O5' DG A 10 -9.422 3.758 2.828 1.00 0.00 O ATOM 296 C5' DG A 10 -9.317 2.474 2.195 1.00 0.00 C ATOM 297 C4' DG A 10 -9.273 2.652 0.666 1.00 0.00 C ATOM 298 O4' DG A 10 -8.008 3.250 0.302 1.00 0.00 O ATOM 299 C3' DG A 10 -9.411 1.338 -0.138 1.00 0.00 C ATOM 300 O3' DG A 10 -10.329 1.524 -1.239 1.00 0.00 O ATOM 301 C2' DG A 10 -7.995 1.097 -0.655 1.00 0.00 C ATOM 302 C1' DG A 10 -7.443 2.514 -0.790 1.00 0.00 C ATOM 303 N9 DG A 10 -5.953 2.553 -0.785 1.00 0.00 N ATOM 304 C8 DG A 10 -5.096 2.988 -1.778 1.00 0.00 C ATOM 305 N7 DG A 10 -3.732 2.967 -1.614 1.00 0.00 N ATOM 306 C5 DG A 10 -3.707 2.437 -0.343 1.00 0.00 C ATOM 307 C6 DG A 10 -2.446 2.091 0.489 1.00 0.00 C ATOM 308 O6 DG A 10 -1.300 2.317 0.100 1.00 0.00 O ATOM 309 N1 DG A 10 -2.694 1.502 1.695 1.00 0.00 N ATOM 310 C2 DG A 10 -4.065 1.214 2.181 1.00 0.00 C ATOM 311 N2 DG A 10 -4.252 0.636 3.450 1.00 0.00 N ATOM 312 N3 DG A 10 -5.101 1.511 1.462 1.00 0.00 N ATOM 313 C4 DG A 10 -5.017 2.157 0.173 1.00 0.00 C ATOM 0 H5' DG A 10 -10.166 1.850 2.474 1.00 0.00 H new ATOM 0 H5'' DG A 10 -8.418 1.961 2.537 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.130 3.277 0.415 1.00 0.00 H new ATOM 0 H3' DG A 10 -9.798 0.506 0.451 1.00 0.00 H new ATOM 0 H2' DG A 10 -7.407 0.497 0.040 1.00 0.00 H new ATOM 0 H2'' DG A 10 -7.996 0.570 -1.609 1.00 0.00 H new ATOM 0 H1' DG A 10 -7.717 2.951 -1.750 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.509 3.354 -2.707 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.903 1.249 2.287 1.00 0.00 H new ATOM 0 H21 DG A 10 -5.194 0.437 3.786 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.445 0.416 4.034 1.00 0.00 H new ATOM 325 P DG A 11 -10.924 0.294 -2.120 1.00 0.00 P ATOM 326 OP1 DG A 11 -12.081 0.803 -2.983 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.448 -0.799 -1.185 1.00 0.00 O ATOM 328 O5' DG A 11 -9.760 -0.331 -3.063 1.00 0.00 O ATOM 329 C5' DG A 11 -9.409 0.215 -4.348 1.00 0.00 C ATOM 330 C4' DG A 11 -8.356 -0.649 -5.081 1.00 0.00 C ATOM 331 O4' DG A 11 -7.040 -0.409 -4.534 1.00 0.00 O ATOM 332 C3' DG A 11 -8.610 -2.173 -5.006 1.00 0.00 C ATOM 333 O3' DG A 11 -8.499 -2.777 -6.310 1.00 0.00 O ATOM 334 C2' DG A 11 -7.488 -2.672 -4.097 1.00 0.00 C ATOM 335 C1' DG A 11 -6.362 -1.665 -4.368 1.00 0.00 C ATOM 336 N9 DG A 11 -5.353 -1.581 -3.252 1.00 0.00 N ATOM 337 C8 DG A 11 -5.524 -1.244 -1.911 1.00 0.00 C ATOM 338 N7 DG A 11 -4.457 -0.997 -1.084 1.00 0.00 N ATOM 339 C5 DG A 11 -3.455 -1.246 -1.989 1.00 0.00 C ATOM 340 C6 DG A 11 -1.927 -1.163 -1.719 1.00 0.00 C ATOM 341 O6 DG A 11 -1.445 -0.807 -0.646 1.00 0.00 O ATOM 342 N1 DG A 11 -1.131 -1.498 -2.772 1.00 0.00 N ATOM 343 C2 DG A 11 -1.684 -1.875 -4.099 1.00 0.00 C ATOM 344 N2 DG A 11 -0.808 -2.183 -5.156 1.00 0.00 N ATOM 345 N3 DG A 11 -2.965 -1.916 -4.301 1.00 0.00 N ATOM 346 C4 DG A 11 -3.951 -1.611 -3.288 1.00 0.00 C ATOM 0 H5' DG A 11 -9.021 1.225 -4.218 1.00 0.00 H new ATOM 0 H5'' DG A 11 -10.305 0.294 -4.964 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.432 -0.347 -6.126 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.607 -2.418 -4.640 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.786 -2.673 -3.049 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.189 -3.690 -4.345 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.779 -1.963 -5.240 1.00 0.00 H new ATOM 0 H8 DG A 11 -6.525 -1.175 -1.511 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.119 -1.490 -2.645 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.182 -2.442 -6.069 1.00 0.00 H new ATOM 0 H22 DG A 11 0.201 -2.147 -5.009 1.00 0.00 H new ATOM 358 P DT A 12 -9.553 -3.901 -6.812 1.00 0.00 P ATOM 359 OP1 DT A 12 -9.111 -4.441 -8.173 1.00 0.00 O ATOM 360 OP2 DT A 12 -10.940 -3.265 -6.944 1.00 0.00 O ATOM 361 O5' DT A 12 -9.594 -5.111 -5.735 1.00 0.00 O ATOM 362 C5' DT A 12 -10.718 -5.994 -5.597 1.00 0.00 C ATOM 363 C4' DT A 12 -10.337 -7.288 -4.847 1.00 0.00 C ATOM 364 O4' DT A 12 -9.376 -8.024 -5.633 1.00 0.00 O ATOM 365 C3' DT A 12 -9.716 -7.089 -3.447 1.00 0.00 C ATOM 366 O3' DT A 12 -10.139 -8.162 -2.583 1.00 0.00 O ATOM 367 C2' DT A 12 -8.219 -7.199 -3.734 1.00 0.00 C ATOM 368 C1' DT A 12 -8.159 -8.216 -4.883 1.00 0.00 C ATOM 369 N1 DT A 12 -6.932 -8.089 -5.729 1.00 0.00 N ATOM 370 C2 DT A 12 -5.779 -8.797 -5.402 1.00 0.00 C ATOM 371 O2 DT A 12 -5.718 -9.546 -4.423 1.00 0.00 O ATOM 372 N3 DT A 12 -4.651 -8.681 -6.165 1.00 0.00 N ATOM 373 C4 DT A 12 -4.543 -7.880 -7.265 1.00 0.00 C ATOM 374 O4 DT A 12 -3.487 -7.838 -7.897 1.00 0.00 O ATOM 375 C5 DT A 12 -5.796 -7.037 -7.656 1.00 0.00 C ATOM 376 C7 DT A 12 -5.759 -6.118 -8.857 1.00 0.00 C ATOM 377 C6 DT A 12 -6.919 -7.176 -6.908 1.00 0.00 C ATOM 0 H5' DT A 12 -11.106 -6.246 -6.584 1.00 0.00 H new ATOM 0 H5'' DT A 12 -11.518 -5.484 -5.060 1.00 0.00 H new ATOM 0 H4' DT A 12 -11.281 -7.814 -4.704 1.00 0.00 H new ATOM 0 H3' DT A 12 -9.996 -6.156 -2.959 1.00 0.00 H new ATOM 0 H2' DT A 12 -7.792 -6.239 -4.023 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.665 -7.544 -2.861 1.00 0.00 H new ATOM 0 H1' DT A 12 -8.087 -9.232 -4.494 1.00 0.00 H new ATOM 0 H3 DT A 12 -3.835 -9.230 -5.894 1.00 0.00 H new ATOM 0 H71 DT A 12 -6.758 -6.041 -9.287 1.00 0.00 H new ATOM 0 H72 DT A 12 -5.420 -5.129 -8.548 1.00 0.00 H new ATOM 0 H73 DT A 12 -5.073 -6.520 -9.602 1.00 0.00 H new ATOM 0 H6 DT A 12 -7.809 -6.622 -7.168 1.00 0.00 H new ATOM 390 P DT A 13 -10.136 -8.076 -0.964 1.00 0.00 P ATOM 391 OP1 DT A 13 -10.644 -9.408 -0.406 1.00 0.00 O ATOM 392 OP2 DT A 13 -11.065 -6.950 -0.505 1.00 0.00 O ATOM 393 O5' DT A 13 -8.634 -7.787 -0.424 1.00 0.00 O ATOM 394 C5' DT A 13 -8.218 -8.141 0.907 1.00 0.00 C ATOM 395 C4' DT A 13 -7.139 -7.184 1.446 1.00 0.00 C ATOM 396 O4' DT A 13 -6.007 -7.132 0.548 1.00 0.00 O ATOM 397 C3' DT A 13 -7.625 -5.726 1.664 1.00 0.00 C ATOM 398 O3' DT A 13 -7.175 -5.218 2.948 1.00 0.00 O ATOM 399 C2' DT A 13 -6.900 -4.978 0.538 1.00 0.00 C ATOM 400 C1' DT A 13 -5.582 -5.765 0.460 1.00 0.00 C ATOM 401 N1 DT A 13 -4.664 -5.548 -0.703 1.00 0.00 N ATOM 402 C2 DT A 13 -3.287 -5.514 -0.487 1.00 0.00 C ATOM 403 O2 DT A 13 -2.778 -5.598 0.635 1.00 0.00 O ATOM 404 N3 DT A 13 -2.419 -5.391 -1.529 1.00 0.00 N ATOM 405 C4 DT A 13 -2.782 -5.292 -2.833 1.00 0.00 C ATOM 406 O4 DT A 13 -1.918 -5.169 -3.702 1.00 0.00 O ATOM 407 C5 DT A 13 -4.306 -5.342 -3.145 1.00 0.00 C ATOM 408 C7 DT A 13 -4.743 -5.224 -4.586 1.00 0.00 C ATOM 409 C6 DT A 13 -5.175 -5.461 -2.106 1.00 0.00 C ATOM 0 H5' DT A 13 -7.832 -9.160 0.907 1.00 0.00 H new ATOM 0 H5'' DT A 13 -9.081 -8.127 1.573 1.00 0.00 H new ATOM 0 H4' DT A 13 -6.869 -7.598 2.418 1.00 0.00 H new ATOM 0 H3' DT A 13 -8.710 -5.625 1.654 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.454 -5.009 -0.400 1.00 0.00 H new ATOM 0 H2'' DT A 13 -6.739 -3.927 0.779 1.00 0.00 H new ATOM 0 H1' DT A 13 -4.932 -5.409 1.259 1.00 0.00 H new ATOM 0 H3 DT A 13 -1.422 -5.372 -1.314 1.00 0.00 H new ATOM 0 H71 DT A 13 -5.672 -5.776 -4.731 1.00 0.00 H new ATOM 0 H72 DT A 13 -4.902 -4.174 -4.833 1.00 0.00 H new ATOM 0 H73 DT A 13 -3.971 -5.637 -5.235 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.238 -5.493 -2.294 1.00 0.00 H new ATOM 422 P DG A 14 -7.947 -5.497 4.355 1.00 0.00 P ATOM 423 OP1 DG A 14 -8.153 -7.002 4.544 1.00 0.00 O ATOM 424 OP2 DG A 14 -9.314 -4.807 4.334 1.00 0.00 O ATOM 425 O5' DG A 14 -7.063 -4.934 5.599 1.00 0.00 O ATOM 426 C5' DG A 14 -6.891 -3.531 5.843 1.00 0.00 C ATOM 427 C4' DG A 14 -6.004 -3.272 7.090 1.00 0.00 C ATOM 428 O4' DG A 14 -4.658 -3.767 6.831 1.00 0.00 O ATOM 429 C3' DG A 14 -5.872 -1.764 7.435 1.00 0.00 C ATOM 430 O3' DG A 14 -5.705 -1.543 8.873 1.00 0.00 O ATOM 431 C2' DG A 14 -4.608 -1.441 6.635 1.00 0.00 C ATOM 432 C1' DG A 14 -3.733 -2.668 6.932 1.00 0.00 C ATOM 433 N9 DG A 14 -2.583 -2.769 5.985 1.00 0.00 N ATOM 434 C8 DG A 14 -1.254 -2.456 6.212 1.00 0.00 C ATOM 435 N7 DG A 14 -0.366 -2.244 5.187 1.00 0.00 N ATOM 436 C5 DG A 14 -1.250 -2.442 4.150 1.00 0.00 C ATOM 437 C6 DG A 14 -0.984 -2.160 2.651 1.00 0.00 C ATOM 438 O6 DG A 14 0.115 -1.823 2.215 1.00 0.00 O ATOM 439 N1 DG A 14 -2.075 -2.288 1.840 1.00 0.00 N ATOM 440 C2 DG A 14 -3.417 -2.640 2.349 1.00 0.00 C ATOM 441 N2 DG A 14 -4.518 -2.639 1.489 1.00 0.00 N ATOM 442 N3 DG A 14 -3.605 -2.905 3.598 1.00 0.00 N ATOM 443 C4 DG A 14 -2.572 -2.783 4.596 1.00 0.00 C ATOM 0 H5' DG A 14 -7.865 -3.064 5.986 1.00 0.00 H new ATOM 0 H5'' DG A 14 -6.438 -3.062 4.970 1.00 0.00 H new ATOM 0 H4' DG A 14 -6.485 -3.783 7.924 1.00 0.00 H new ATOM 0 H3' DG A 14 -6.738 -1.147 7.195 1.00 0.00 H new ATOM 0 H2' DG A 14 -4.814 -1.332 5.570 1.00 0.00 H new ATOM 0 H2'' DG A 14 -4.140 -0.514 6.965 1.00 0.00 H new ATOM 0 H1' DG A 14 -3.252 -2.633 7.909 1.00 0.00 H new ATOM 0 H8 DG A 14 -0.904 -2.376 7.230 1.00 0.00 H new ATOM 0 H1 DG A 14 -1.959 -2.134 0.838 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.443 -2.883 1.844 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.397 -2.395 0.506 1.00 0.00 H new ATOM 455 P DG A 15 -4.940 -0.242 9.512 1.00 0.00 P ATOM 456 OP1 DG A 15 -5.202 -0.183 11.019 1.00 0.00 O ATOM 457 OP2 DG A 15 -5.460 1.041 8.858 1.00 0.00 O ATOM 458 O5' DG A 15 -3.347 -0.401 9.208 1.00 0.00 O ATOM 459 C5' DG A 15 -2.322 -0.718 10.162 1.00 0.00 C ATOM 460 C4' DG A 15 -1.453 0.516 10.501 1.00 0.00 C ATOM 461 O4' DG A 15 -0.575 0.737 9.378 1.00 0.00 O ATOM 462 C3' DG A 15 -2.169 1.856 10.758 1.00 0.00 C ATOM 463 O3' DG A 15 -1.442 2.621 11.714 1.00 0.00 O ATOM 464 C2' DG A 15 -2.124 2.557 9.398 1.00 0.00 C ATOM 465 C1' DG A 15 -0.839 2.004 8.752 1.00 0.00 C ATOM 466 N9 DG A 15 -0.880 1.835 7.259 1.00 0.00 N ATOM 467 C8 DG A 15 -1.891 1.387 6.423 1.00 0.00 C ATOM 468 N7 DG A 15 -1.686 1.145 5.087 1.00 0.00 N ATOM 469 C5 DG A 15 -0.358 1.498 5.043 1.00 0.00 C ATOM 470 C6 DG A 15 0.549 1.512 3.783 1.00 0.00 C ATOM 471 O6 DG A 15 0.158 1.167 2.669 1.00 0.00 O ATOM 472 N1 DG A 15 1.828 1.944 3.993 1.00 0.00 N ATOM 473 C2 DG A 15 2.316 2.366 5.334 1.00 0.00 C ATOM 474 N2 DG A 15 3.650 2.780 5.499 1.00 0.00 N ATOM 475 N3 DG A 15 1.532 2.347 6.367 1.00 0.00 N ATOM 476 C4 DG A 15 0.153 1.921 6.318 1.00 0.00 C ATOM 0 H5' DG A 15 -1.688 -1.511 9.765 1.00 0.00 H new ATOM 0 H5'' DG A 15 -2.780 -1.102 11.074 1.00 0.00 H new ATOM 0 H4' DG A 15 -0.977 0.260 11.447 1.00 0.00 H new ATOM 0 H3' DG A 15 -3.180 1.730 11.144 1.00 0.00 H new ATOM 0 H2' DG A 15 -3.005 2.328 8.799 1.00 0.00 H new ATOM 0 H2'' DG A 15 -2.085 3.641 9.506 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.902 3.472 11.871 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.052 2.741 8.913 1.00 0.00 H new ATOM 0 H8 DG A 15 -2.875 1.222 6.837 1.00 0.00 H new ATOM 0 H1 DG A 15 2.471 1.979 3.202 1.00 0.00 H new ATOM 0 H21 DG A 15 3.984 3.069 6.418 1.00 0.00 H new ATOM 0 H22 DG A 15 4.283 2.791 4.699 1.00 0.00 H new TER 489 DG A 15