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= -0.09 (180deg=-0.09) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc=-0.000374 (180deg=-0.000374) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.938 (180deg=-1.03) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.755 1.225 6.928 1.00 0.00 P ATOM 2 OP1 DG A 1 11.360 1.952 8.130 1.00 0.00 O ATOM 3 OP2 DG A 1 11.907 0.597 6.137 1.00 0.00 O ATOM 4 O5' DG A 1 9.982 2.343 6.022 1.00 0.00 O ATOM 5 C5' DG A 1 9.951 2.224 4.570 1.00 0.00 C ATOM 6 C4' DG A 1 9.984 3.571 3.821 1.00 0.00 C ATOM 7 O4' DG A 1 9.661 3.254 2.441 1.00 0.00 O ATOM 8 C3' DG A 1 8.977 4.647 4.279 1.00 0.00 C ATOM 9 O3' DG A 1 9.650 5.770 4.839 1.00 0.00 O ATOM 10 C2' DG A 1 8.298 5.100 2.981 1.00 0.00 C ATOM 11 C1' DG A 1 8.464 3.926 2.006 1.00 0.00 C ATOM 12 N9 DG A 1 7.267 3.003 1.984 1.00 0.00 N ATOM 13 C8 DG A 1 6.501 2.497 3.030 1.00 0.00 C ATOM 14 N7 DG A 1 5.246 1.985 2.848 1.00 0.00 N ATOM 15 C5 DG A 1 5.189 2.155 1.490 1.00 0.00 C ATOM 16 C6 DG A 1 3.943 1.933 0.604 1.00 0.00 C ATOM 17 O6 DG A 1 2.869 1.537 1.062 1.00 0.00 O ATOM 18 N1 DG A 1 4.121 2.237 -0.717 1.00 0.00 N ATOM 19 C2 DG A 1 5.407 2.736 -1.266 1.00 0.00 C ATOM 20 N2 DG A 1 5.539 2.983 -2.645 1.00 0.00 N ATOM 21 N3 DG A 1 6.419 2.953 -0.488 1.00 0.00 N ATOM 22 C4 DG A 1 6.393 2.717 0.936 1.00 0.00 C ATOM 0 H5' DG A 1 9.050 1.683 4.281 1.00 0.00 H new ATOM 0 H5'' DG A 1 10.801 1.622 4.248 1.00 0.00 H new ATOM 0 H4' DG A 1 10.967 4.004 4.005 1.00 0.00 H new ATOM 0 H3' DG A 1 8.292 4.258 5.032 1.00 0.00 H new ATOM 0 H2' DG A 1 7.245 5.328 3.147 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.762 6.005 2.589 1.00 0.00 H new ATOM 0 HO3' DG A 1 8.992 6.439 5.120 1.00 0.00 H new ATOM 0 H1' DG A 1 8.541 4.275 0.976 1.00 0.00 H new ATOM 0 H8 DG A 1 6.915 2.509 4.027 1.00 0.00 H new ATOM 0 H1 DG A 1 3.334 2.115 -1.355 1.00 0.00 H new ATOM 0 H21 DG A 1 6.424 3.326 -3.019 1.00 0.00 H new ATOM 0 H22 DG A 1 4.750 2.819 -3.270 1.00 0.00 H new ATOM 35 P DG A 2 5.248 -4.233 7.316 1.00 0.00 P ATOM 36 OP1 DG A 2 3.861 -3.944 6.743 1.00 0.00 O ATOM 37 OP2 DG A 2 5.087 -4.835 8.714 1.00 0.00 O ATOM 38 O5' DG A 2 6.102 -2.843 7.412 1.00 0.00 O ATOM 39 C5' DG A 2 7.361 -2.756 8.114 1.00 0.00 C ATOM 40 C4' DG A 2 8.380 -1.895 7.335 1.00 0.00 C ATOM 41 O4' DG A 2 8.217 -2.183 5.927 1.00 0.00 O ATOM 42 C3' DG A 2 8.413 -0.351 7.376 1.00 0.00 C ATOM 43 O3' DG A 2 9.815 0.016 7.513 1.00 0.00 O ATOM 44 C2' DG A 2 7.623 0.107 6.172 1.00 0.00 C ATOM 45 C1' DG A 2 7.965 -0.986 5.166 1.00 0.00 C ATOM 46 N9 DG A 2 6.888 -1.196 4.135 1.00 0.00 N ATOM 47 C8 DG A 2 7.035 -1.422 2.776 1.00 0.00 C ATOM 48 N7 DG A 2 5.964 -1.704 1.965 1.00 0.00 N ATOM 49 C5 DG A 2 4.980 -1.618 2.918 1.00 0.00 C ATOM 50 C6 DG A 2 3.457 -1.796 2.683 1.00 0.00 C ATOM 51 O6 DG A 2 2.966 -2.080 1.594 1.00 0.00 O ATOM 52 N1 DG A 2 2.679 -1.623 3.786 1.00 0.00 N ATOM 53 C2 DG A 2 3.235 -1.300 5.118 1.00 0.00 C ATOM 54 N2 DG A 2 2.363 -1.175 6.218 1.00 0.00 N ATOM 55 N3 DG A 2 4.512 -1.148 5.285 1.00 0.00 N ATOM 56 C4 DG A 2 5.487 -1.303 4.224 1.00 0.00 C ATOM 0 H5' DG A 2 7.766 -3.757 8.263 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.200 -2.327 9.103 1.00 0.00 H new ATOM 0 H4' DG A 2 9.285 -2.188 7.868 1.00 0.00 H new ATOM 0 H3' DG A 2 7.933 0.158 8.212 1.00 0.00 H new ATOM 0 H2' DG A 2 6.554 0.159 6.376 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.931 1.095 5.828 1.00 0.00 H new ATOM 0 H1' DG A 2 8.842 -0.695 4.588 1.00 0.00 H new ATOM 0 H8 DG A 2 8.023 -1.375 2.341 1.00 0.00 H new ATOM 0 H1 DG A 2 1.668 -1.720 3.690 1.00 0.00 H new ATOM 0 H21 DG A 2 2.735 -0.953 7.141 1.00 0.00 H new ATOM 0 H22 DG A 2 1.360 -1.307 6.091 1.00 0.00 H new ATOM 68 O5' DT A 3 6.840 -4.716 1.918 1.00 0.00 O ATOM 69 C5' DT A 3 5.837 -5.473 2.624 1.00 0.00 C ATOM 70 C4' DT A 3 6.325 -6.033 3.983 1.00 0.00 C ATOM 71 O4' DT A 3 7.530 -6.802 3.771 1.00 0.00 O ATOM 72 C3' DT A 3 6.622 -4.983 5.085 1.00 0.00 C ATOM 73 O3' DT A 3 5.998 -5.317 6.348 1.00 0.00 O ATOM 74 C2' DT A 3 8.137 -5.074 5.252 1.00 0.00 C ATOM 75 C1' DT A 3 8.491 -6.492 4.791 1.00 0.00 C ATOM 76 N1 DT A 3 9.897 -6.653 4.298 1.00 0.00 N ATOM 77 C2 DT A 3 10.751 -7.584 4.883 1.00 0.00 C ATOM 78 O2 DT A 3 10.398 -8.328 5.801 1.00 0.00 O ATOM 79 N3 DT A 3 12.045 -7.710 4.455 1.00 0.00 N ATOM 80 C4 DT A 3 12.604 -6.965 3.457 1.00 0.00 C ATOM 81 O4 DT A 3 13.781 -7.140 3.140 1.00 0.00 O ATOM 82 C5 DT A 3 11.691 -5.910 2.763 1.00 0.00 C ATOM 83 C7 DT A 3 12.225 -4.999 1.679 1.00 0.00 C ATOM 84 C6 DT A 3 10.408 -5.799 3.186 1.00 0.00 C ATOM 0 H5' DT A 3 5.510 -6.301 1.996 1.00 0.00 H new ATOM 0 H5'' DT A 3 4.967 -4.838 2.793 1.00 0.00 H new ATOM 0 H4' DT A 3 5.490 -6.629 4.352 1.00 0.00 H new ATOM 0 H3' DT A 3 6.246 -3.998 4.809 1.00 0.00 H new ATOM 0 H2' DT A 3 8.648 -4.322 4.651 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.433 -4.908 6.288 1.00 0.00 H new ATOM 0 H1' DT A 3 8.448 -7.180 5.635 1.00 0.00 H new ATOM 0 H3 DT A 3 12.631 -8.408 4.913 1.00 0.00 H new ATOM 0 H71 DT A 3 11.422 -4.748 0.987 1.00 0.00 H new ATOM 0 H72 DT A 3 12.614 -4.086 2.130 1.00 0.00 H new ATOM 0 H73 DT A 3 13.024 -5.506 1.139 1.00 0.00 H new ATOM 0 H6 DT A 3 9.749 -5.085 2.714 1.00 0.00 H new ATOM 97 P DT A 4 7.677 -5.271 0.634 1.00 0.00 P ATOM 98 OP1 DT A 4 8.798 -4.279 0.320 1.00 0.00 O ATOM 99 OP2 DT A 4 8.295 -6.629 0.978 1.00 0.00 O ATOM 100 O5' DT A 4 6.733 -5.429 -0.684 1.00 0.00 O ATOM 101 C5' DT A 4 7.227 -6.146 -1.838 1.00 0.00 C ATOM 102 C4' DT A 4 6.251 -6.164 -3.037 1.00 0.00 C ATOM 103 O4' DT A 4 4.922 -6.492 -2.579 1.00 0.00 O ATOM 104 C3' DT A 4 6.155 -4.852 -3.847 1.00 0.00 C ATOM 105 O3' DT A 4 5.999 -5.163 -5.251 1.00 0.00 O ATOM 106 C2' DT A 4 4.864 -4.244 -3.313 1.00 0.00 C ATOM 107 C1' DT A 4 3.995 -5.466 -2.989 1.00 0.00 C ATOM 108 N1 DT A 4 2.934 -5.180 -1.974 1.00 0.00 N ATOM 109 C2 DT A 4 1.727 -4.614 -2.376 1.00 0.00 C ATOM 110 O2 DT A 4 1.480 -4.341 -3.553 1.00 0.00 O ATOM 111 N3 DT A 4 0.761 -4.317 -1.460 1.00 0.00 N ATOM 112 C4 DT A 4 0.880 -4.525 -0.118 1.00 0.00 C ATOM 113 O4 DT A 4 -0.013 -4.169 0.647 1.00 0.00 O ATOM 114 C5 DT A 4 2.179 -5.217 0.382 1.00 0.00 C ATOM 115 C7 DT A 4 2.316 -5.552 1.851 1.00 0.00 C ATOM 116 C6 DT A 4 3.151 -5.486 -0.527 1.00 0.00 C ATOM 0 H5' DT A 4 7.447 -7.173 -1.547 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.168 -5.697 -2.156 1.00 0.00 H new ATOM 0 H4' DT A 4 6.667 -6.914 -3.710 1.00 0.00 H new ATOM 0 H3' DT A 4 7.026 -4.203 -3.754 1.00 0.00 H new ATOM 0 H2' DT A 4 5.044 -3.635 -2.427 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.389 -3.599 -4.052 1.00 0.00 H new ATOM 0 H1' DT A 4 3.418 -5.785 -3.857 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.110 -3.912 -1.803 1.00 0.00 H new ATOM 0 H71 DT A 4 2.943 -6.436 1.966 1.00 0.00 H new ATOM 0 H72 DT A 4 2.773 -4.713 2.375 1.00 0.00 H new ATOM 0 H73 DT A 4 1.330 -5.749 2.273 1.00 0.00 H new ATOM 0 H6 DT A 4 4.084 -5.923 -0.203 1.00 0.00 H new ATOM 129 P DG A 5 6.847 -4.484 -6.461 1.00 0.00 P ATOM 130 OP1 DG A 5 6.709 -5.370 -7.702 1.00 0.00 O ATOM 131 OP2 DG A 5 8.326 -4.391 -6.077 1.00 0.00 O ATOM 132 O5' DG A 5 6.276 -3.000 -6.787 1.00 0.00 O ATOM 133 C5' DG A 5 6.443 -2.360 -8.073 1.00 0.00 C ATOM 134 C4' DG A 5 5.969 -0.883 -8.049 1.00 0.00 C ATOM 135 O4' DG A 5 4.723 -0.829 -7.365 1.00 0.00 O ATOM 136 C3' DG A 5 6.992 0.103 -7.404 1.00 0.00 C ATOM 137 O3' DG A 5 6.948 1.542 -7.658 1.00 0.00 O ATOM 138 C2' DG A 5 6.378 0.076 -5.992 1.00 0.00 C ATOM 139 C1' DG A 5 4.860 0.100 -6.306 1.00 0.00 C ATOM 140 N9 DG A 5 3.956 -0.259 -5.183 1.00 0.00 N ATOM 141 C8 DG A 5 2.612 -0.539 -5.285 1.00 0.00 C ATOM 142 N7 DG A 5 1.860 -0.943 -4.218 1.00 0.00 N ATOM 143 C5 DG A 5 2.879 -0.979 -3.302 1.00 0.00 C ATOM 144 C6 DG A 5 2.728 -1.228 -1.787 1.00 0.00 C ATOM 145 O6 DG A 5 1.625 -1.400 -1.262 1.00 0.00 O ATOM 146 N1 DG A 5 3.906 -1.221 -1.087 1.00 0.00 N ATOM 147 C2 DG A 5 5.220 -0.940 -1.725 1.00 0.00 C ATOM 148 N2 DG A 5 6.405 -0.951 -0.970 1.00 0.00 N ATOM 149 N3 DG A 5 5.297 -0.673 -2.986 1.00 0.00 N ATOM 150 C4 DG A 5 4.159 -0.662 -3.868 1.00 0.00 C ATOM 0 H5' DG A 5 5.881 -2.910 -8.828 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.492 -2.400 -8.365 1.00 0.00 H new ATOM 0 H4' DG A 5 5.869 -0.551 -9.082 1.00 0.00 H new ATOM 0 H3' DG A 5 7.992 -0.206 -7.708 1.00 0.00 H new ATOM 0 H2' DG A 5 6.667 -0.817 -5.438 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.686 0.935 -5.396 1.00 0.00 H new ATOM 0 H1' DG A 5 4.554 1.120 -6.541 1.00 0.00 H new ATOM 0 H8 DG A 5 2.133 -0.435 -6.247 1.00 0.00 H new ATOM 0 H1 DG A 5 3.881 -1.417 -0.086 1.00 0.00 H new ATOM 0 H21 DG A 5 7.299 -0.756 -1.421 1.00 0.00 H new ATOM 0 H22 DG A 5 6.371 -1.154 0.029 1.00 0.00 H new ATOM 162 P DG A 6 6.222 2.437 -8.800 1.00 0.00 P ATOM 163 OP1 DG A 6 7.226 2.747 -9.912 1.00 0.00 O ATOM 164 OP2 DG A 6 5.739 3.746 -8.170 1.00 0.00 O ATOM 165 O5' DG A 6 4.966 1.641 -9.422 1.00 0.00 O ATOM 166 C5' DG A 6 4.031 2.228 -10.338 1.00 0.00 C ATOM 167 C4' DG A 6 2.563 2.079 -9.841 1.00 0.00 C ATOM 168 O4' DG A 6 2.528 1.698 -8.422 1.00 0.00 O ATOM 169 C3' DG A 6 1.735 3.392 -9.887 1.00 0.00 C ATOM 170 O3' DG A 6 0.425 3.074 -10.407 1.00 0.00 O ATOM 171 C2' DG A 6 1.635 3.863 -8.440 1.00 0.00 C ATOM 172 C1' DG A 6 1.564 2.522 -7.725 1.00 0.00 C ATOM 173 N9 DG A 6 1.775 2.648 -6.246 1.00 0.00 N ATOM 174 C8 DG A 6 2.866 3.058 -5.479 1.00 0.00 C ATOM 175 N7 DG A 6 2.820 3.044 -4.103 1.00 0.00 N ATOM 176 C5 DG A 6 1.523 2.597 -3.965 1.00 0.00 C ATOM 177 C6 DG A 6 0.773 2.311 -2.635 1.00 0.00 C ATOM 178 O6 DG A 6 1.286 2.438 -1.525 1.00 0.00 O ATOM 179 N1 DG A 6 -0.527 1.924 -2.774 1.00 0.00 N ATOM 180 C2 DG A 6 -1.179 1.769 -4.095 1.00 0.00 C ATOM 181 N2 DG A 6 -2.547 1.458 -4.164 1.00 0.00 N ATOM 182 N3 DG A 6 -0.510 1.941 -5.189 1.00 0.00 N ATOM 183 C4 DG A 6 0.866 2.383 -5.223 1.00 0.00 C ATOM 0 H5' DG A 6 4.134 1.755 -11.315 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.265 3.285 -10.469 1.00 0.00 H new ATOM 0 H4' DG A 6 2.141 1.334 -10.515 1.00 0.00 H new ATOM 0 H3' DG A 6 2.182 4.162 -10.516 1.00 0.00 H new ATOM 0 H2' DG A 6 2.499 4.452 -8.134 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.752 4.476 -8.262 1.00 0.00 H new ATOM 0 H1' DG A 6 0.576 2.064 -7.765 1.00 0.00 H new ATOM 0 H8 DG A 6 3.765 3.393 -5.975 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.073 1.733 -1.934 1.00 0.00 H new ATOM 0 H21 DG A 6 -3.000 1.350 -5.071 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.087 1.340 -3.307 1.00 0.00 H new ATOM 195 P DT A 7 -0.641 4.166 -10.950 1.00 0.00 P ATOM 196 OP1 DT A 7 -1.558 3.493 -11.975 1.00 0.00 O ATOM 197 OP2 DT A 7 0.077 5.350 -11.604 1.00 0.00 O ATOM 198 O5' DT A 7 -1.521 4.673 -9.689 1.00 0.00 O ATOM 199 C5' DT A 7 -2.657 5.540 -9.812 1.00 0.00 C ATOM 200 C4' DT A 7 -3.709 5.206 -8.735 1.00 0.00 C ATOM 201 O4' DT A 7 -4.076 3.814 -8.867 1.00 0.00 O ATOM 202 C3' DT A 7 -3.261 5.432 -7.272 1.00 0.00 C ATOM 203 O3' DT A 7 -4.317 6.071 -6.530 1.00 0.00 O ATOM 204 C2' DT A 7 -3.048 4.014 -6.745 1.00 0.00 C ATOM 205 C1' DT A 7 -4.012 3.166 -7.585 1.00 0.00 C ATOM 206 N1 DT A 7 -3.613 1.729 -7.709 1.00 0.00 N ATOM 207 C2 DT A 7 -4.353 0.731 -7.080 1.00 0.00 C ATOM 208 O2 DT A 7 -5.355 0.971 -6.401 1.00 0.00 O ATOM 209 N3 DT A 7 -3.983 -0.579 -7.186 1.00 0.00 N ATOM 210 C4 DT A 7 -2.888 -1.022 -7.869 1.00 0.00 C ATOM 211 O4 DT A 7 -2.626 -2.224 -7.901 1.00 0.00 O ATOM 212 C5 DT A 7 -2.016 0.054 -8.583 1.00 0.00 C ATOM 213 C7 DT A 7 -0.751 -0.348 -9.312 1.00 0.00 C ATOM 214 C6 DT A 7 -2.399 1.353 -8.493 1.00 0.00 C ATOM 0 H5' DT A 7 -3.097 5.435 -10.804 1.00 0.00 H new ATOM 0 H5'' DT A 7 -2.342 6.579 -9.712 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.534 5.896 -8.914 1.00 0.00 H new ATOM 0 H3' DT A 7 -2.377 6.063 -7.186 1.00 0.00 H new ATOM 0 H2' DT A 7 -2.015 3.690 -6.872 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.275 3.944 -5.681 1.00 0.00 H new ATOM 0 H1' DT A 7 -4.985 3.117 -7.096 1.00 0.00 H new ATOM 0 H3 DT A 7 -4.566 -1.275 -6.722 1.00 0.00 H new ATOM 0 H71 DT A 7 -0.575 0.338 -10.141 1.00 0.00 H new ATOM 0 H72 DT A 7 0.093 -0.310 -8.624 1.00 0.00 H new ATOM 0 H73 DT A 7 -0.860 -1.362 -9.697 1.00 0.00 H new ATOM 0 H6 DT A 7 -1.823 2.119 -8.991 1.00 0.00 H new ATOM 227 P DG A 8 -4.068 7.112 -5.307 1.00 0.00 P ATOM 228 OP1 DG A 8 -5.421 7.671 -4.863 1.00 0.00 O ATOM 229 OP2 DG A 8 -3.186 8.270 -5.782 1.00 0.00 O ATOM 230 O5' DG A 8 -3.379 6.364 -4.042 1.00 0.00 O ATOM 231 C5' DG A 8 -1.970 6.105 -3.943 1.00 0.00 C ATOM 232 C4' DG A 8 -1.622 5.636 -2.520 1.00 0.00 C ATOM 233 O4' DG A 8 -0.246 5.221 -2.498 1.00 0.00 O ATOM 234 C3' DG A 8 -1.786 6.719 -1.430 1.00 0.00 C ATOM 235 O3' DG A 8 -2.663 6.255 -0.383 1.00 0.00 O ATOM 236 C2' DG A 8 -0.366 6.939 -0.904 1.00 0.00 C ATOM 237 C1' DG A 8 0.353 5.638 -1.265 1.00 0.00 C ATOM 238 N9 DG A 8 1.830 5.824 -1.407 1.00 0.00 N ATOM 239 C8 DG A 8 2.592 6.159 -2.519 1.00 0.00 C ATOM 240 N7 DG A 8 3.947 6.383 -2.430 1.00 0.00 N ATOM 241 C5 DG A 8 4.072 6.165 -1.073 1.00 0.00 C ATOM 242 C6 DG A 8 5.370 6.300 -0.233 1.00 0.00 C ATOM 243 O6 DG A 8 6.460 6.596 -0.721 1.00 0.00 O ATOM 244 N1 DG A 8 5.221 6.060 1.103 1.00 0.00 N ATOM 245 C2 DG A 8 3.927 5.677 1.712 1.00 0.00 C ATOM 246 N2 DG A 8 3.857 5.425 3.097 1.00 0.00 N ATOM 247 N3 DG A 8 2.859 5.572 0.986 1.00 0.00 N ATOM 248 C4 DG A 8 2.832 5.814 -0.439 1.00 0.00 C ATOM 0 H5' DG A 8 -1.408 7.007 -4.186 1.00 0.00 H new ATOM 0 H5'' DG A 8 -1.680 5.344 -4.667 1.00 0.00 H new ATOM 0 H4' DG A 8 -2.322 4.833 -2.291 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.232 7.638 -1.811 1.00 0.00 H new ATOM 0 H2' DG A 8 0.107 7.802 -1.373 1.00 0.00 H new ATOM 0 H2'' DG A 8 -0.359 7.117 0.171 1.00 0.00 H new ATOM 0 H1' DG A 8 0.244 4.891 -0.479 1.00 0.00 H new ATOM 0 H8 DG A 8 2.108 6.246 -3.480 1.00 0.00 H new ATOM 0 H1 DG A 8 6.037 6.149 1.708 1.00 0.00 H new ATOM 0 H21 DG A 8 2.969 5.161 3.523 1.00 0.00 H new ATOM 0 H22 DG A 8 4.695 5.507 3.673 1.00 0.00 H new ATOM 260 P DT A 9 -3.560 7.283 0.499 1.00 0.00 P ATOM 261 OP1 DT A 9 -4.472 8.098 -0.423 1.00 0.00 O ATOM 262 OP2 DT A 9 -2.638 8.233 1.267 1.00 0.00 O ATOM 263 O5' DT A 9 -4.458 6.464 1.561 1.00 0.00 O ATOM 264 C5' DT A 9 -5.546 5.615 1.173 1.00 0.00 C ATOM 265 C4' DT A 9 -6.123 4.870 2.396 1.00 0.00 C ATOM 266 O4' DT A 9 -5.083 4.118 3.042 1.00 0.00 O ATOM 267 C3' DT A 9 -6.750 5.761 3.484 1.00 0.00 C ATOM 268 O3' DT A 9 -7.838 5.076 4.139 1.00 0.00 O ATOM 269 C2' DT A 9 -5.598 5.943 4.471 1.00 0.00 C ATOM 270 C1' DT A 9 -4.813 4.622 4.367 1.00 0.00 C ATOM 271 N1 DT A 9 -3.347 4.764 4.641 1.00 0.00 N ATOM 272 C2 DT A 9 -2.892 4.913 5.949 1.00 0.00 C ATOM 273 O2 DT A 9 -3.652 4.878 6.920 1.00 0.00 O ATOM 274 N3 DT A 9 -1.565 5.117 6.206 1.00 0.00 N ATOM 275 C4 DT A 9 -0.593 5.168 5.249 1.00 0.00 C ATOM 276 O4 DT A 9 0.580 5.366 5.566 1.00 0.00 O ATOM 277 C5 DT A 9 -1.041 4.950 3.773 1.00 0.00 C ATOM 278 C7 DT A 9 -0.029 4.965 2.653 1.00 0.00 C ATOM 279 C6 DT A 9 -2.361 4.778 3.522 1.00 0.00 C ATOM 0 H5' DT A 9 -5.204 4.894 0.431 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.328 6.211 0.702 1.00 0.00 H new ATOM 0 H4' DT A 9 -6.917 4.251 1.977 1.00 0.00 H new ATOM 0 H3' DT A 9 -7.156 6.693 3.092 1.00 0.00 H new ATOM 0 H2' DT A 9 -4.977 6.799 4.208 1.00 0.00 H new ATOM 0 H2'' DT A 9 -5.962 6.113 5.484 1.00 0.00 H new ATOM 0 H1' DT A 9 -5.139 3.925 5.139 1.00 0.00 H new ATOM 0 H3 DT A 9 -1.282 5.239 7.178 1.00 0.00 H new ATOM 0 H71 DT A 9 -0.367 4.312 1.848 1.00 0.00 H new ATOM 0 H72 DT A 9 0.080 5.981 2.275 1.00 0.00 H new ATOM 0 H73 DT A 9 0.932 4.612 3.026 1.00 0.00 H new ATOM 0 H6 DT A 9 -2.702 4.650 2.505 1.00 0.00 H new ATOM 292 P DG A 10 -9.377 5.161 3.626 1.00 0.00 P ATOM 293 OP1 DG A 10 -9.793 6.628 3.500 1.00 0.00 O ATOM 294 OP2 DG A 10 -10.288 4.472 4.645 1.00 0.00 O ATOM 295 O5' DG A 10 -9.524 4.440 2.182 1.00 0.00 O ATOM 296 C5' DG A 10 -9.512 3.013 2.024 1.00 0.00 C ATOM 297 C4' DG A 10 -9.418 2.657 0.528 1.00 0.00 C ATOM 298 O4' DG A 10 -8.139 3.094 0.015 1.00 0.00 O ATOM 299 C3' DG A 10 -9.544 1.146 0.218 1.00 0.00 C ATOM 300 O3' DG A 10 -10.438 0.956 -0.905 1.00 0.00 O ATOM 301 C2' DG A 10 -8.108 0.747 -0.127 1.00 0.00 C ATOM 302 C1' DG A 10 -7.554 2.032 -0.748 1.00 0.00 C ATOM 303 N9 DG A 10 -6.066 2.114 -0.761 1.00 0.00 N ATOM 304 C8 DG A 10 -5.230 2.504 -1.790 1.00 0.00 C ATOM 305 N7 DG A 10 -3.867 2.584 -1.625 1.00 0.00 N ATOM 306 C5 DG A 10 -3.818 2.181 -0.309 1.00 0.00 C ATOM 307 C6 DG A 10 -2.544 1.980 0.552 1.00 0.00 C ATOM 308 O6 DG A 10 -1.408 2.190 0.126 1.00 0.00 O ATOM 309 N1 DG A 10 -2.772 1.537 1.826 1.00 0.00 N ATOM 310 C2 DG A 10 -4.138 1.268 2.348 1.00 0.00 C ATOM 311 N2 DG A 10 -4.333 0.857 3.679 1.00 0.00 N ATOM 312 N3 DG A 10 -5.176 1.422 1.594 1.00 0.00 N ATOM 313 C4 DG A 10 -5.114 1.891 0.234 1.00 0.00 C ATOM 0 H5' DG A 10 -10.416 2.582 2.454 1.00 0.00 H new ATOM 0 H5'' DG A 10 -8.667 2.585 2.563 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.261 3.160 0.055 1.00 0.00 H new ATOM 0 H3' DG A 10 -9.954 0.551 1.034 1.00 0.00 H new ATOM 0 H2' DG A 10 -7.545 0.447 0.757 1.00 0.00 H new ATOM 0 H2'' DG A 10 -8.075 -0.090 -0.825 1.00 0.00 H new ATOM 0 H1' DG A 10 -7.814 2.081 -1.805 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.659 2.753 -2.750 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.973 1.385 2.442 1.00 0.00 H new ATOM 0 H21 DG A 10 -5.276 0.676 4.024 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.532 0.740 4.299 1.00 0.00 H new ATOM 325 P DG A 11 -10.785 -0.491 -1.563 1.00 0.00 P ATOM 326 OP1 DG A 11 -12.140 -0.414 -2.271 1.00 0.00 O ATOM 327 OP2 DG A 11 -10.855 -1.560 -0.469 1.00 0.00 O ATOM 328 O5' DG A 11 -9.631 -0.896 -2.629 1.00 0.00 O ATOM 329 C5' DG A 11 -9.502 -0.243 -3.904 1.00 0.00 C ATOM 330 C4' DG A 11 -8.452 -0.933 -4.802 1.00 0.00 C ATOM 331 O4' DG A 11 -7.125 -0.657 -4.317 1.00 0.00 O ATOM 332 C3' DG A 11 -8.600 -2.467 -4.897 1.00 0.00 C ATOM 333 O3' DG A 11 -8.724 -2.878 -6.273 1.00 0.00 O ATOM 334 C2' DG A 11 -7.313 -3.013 -4.276 1.00 0.00 C ATOM 335 C1' DG A 11 -6.322 -1.849 -4.384 1.00 0.00 C ATOM 336 N9 DG A 11 -5.296 -1.837 -3.284 1.00 0.00 N ATOM 337 C8 DG A 11 -5.462 -1.508 -1.942 1.00 0.00 C ATOM 338 N7 DG A 11 -4.395 -1.209 -1.139 1.00 0.00 N ATOM 339 C5 DG A 11 -3.396 -1.442 -2.047 1.00 0.00 C ATOM 340 C6 DG A 11 -1.872 -1.320 -1.782 1.00 0.00 C ATOM 341 O6 DG A 11 -1.395 -0.940 -0.715 1.00 0.00 O ATOM 342 N1 DG A 11 -1.074 -1.648 -2.833 1.00 0.00 N ATOM 343 C2 DG A 11 -1.619 -2.046 -4.156 1.00 0.00 C ATOM 344 N2 DG A 11 -0.729 -2.323 -5.209 1.00 0.00 N ATOM 345 N3 DG A 11 -2.901 -2.128 -4.354 1.00 0.00 N ATOM 346 C4 DG A 11 -3.891 -1.836 -3.337 1.00 0.00 C ATOM 0 H5' DG A 11 -9.220 0.799 -3.751 1.00 0.00 H new ATOM 0 H5'' DG A 11 -10.467 -0.241 -4.410 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.622 -0.521 -5.797 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.491 -2.835 -4.387 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.466 -3.311 -3.239 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.954 -3.893 -4.811 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.752 -1.933 -5.309 1.00 0.00 H new ATOM 0 H8 DG A 11 -6.458 -1.488 -1.524 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.062 -1.620 -2.708 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.090 -2.597 -6.123 1.00 0.00 H new ATOM 0 H22 DG A 11 0.277 -2.249 -5.059 1.00 0.00 H new ATOM 358 P DT A 12 -9.729 -4.072 -6.702 1.00 0.00 P ATOM 359 OP1 DT A 12 -9.503 -4.429 -8.173 1.00 0.00 O ATOM 360 OP2 DT A 12 -11.178 -3.622 -6.498 1.00 0.00 O ATOM 361 O5' DT A 12 -9.415 -5.356 -5.775 1.00 0.00 O ATOM 362 C5' DT A 12 -10.225 -6.537 -5.716 1.00 0.00 C ATOM 363 C4' DT A 12 -9.347 -7.761 -5.394 1.00 0.00 C ATOM 364 O4' DT A 12 -8.502 -8.052 -6.522 1.00 0.00 O ATOM 365 C3' DT A 12 -8.410 -7.597 -4.181 1.00 0.00 C ATOM 366 O3' DT A 12 -9.048 -7.975 -2.945 1.00 0.00 O ATOM 367 C2' DT A 12 -7.259 -8.530 -4.540 1.00 0.00 C ATOM 368 C1' DT A 12 -7.202 -8.504 -6.083 1.00 0.00 C ATOM 369 N1 DT A 12 -6.089 -7.675 -6.658 1.00 0.00 N ATOM 370 C2 DT A 12 -4.805 -8.206 -6.754 1.00 0.00 C ATOM 371 O2 DT A 12 -4.539 -9.357 -6.398 1.00 0.00 O ATOM 372 N3 DT A 12 -3.770 -7.454 -7.241 1.00 0.00 N ATOM 373 C4 DT A 12 -3.887 -6.159 -7.657 1.00 0.00 C ATOM 374 O4 DT A 12 -2.897 -5.542 -8.052 1.00 0.00 O ATOM 375 C5 DT A 12 -5.308 -5.521 -7.599 1.00 0.00 C ATOM 376 C7 DT A 12 -5.517 -4.085 -8.027 1.00 0.00 C ATOM 377 C6 DT A 12 -6.327 -6.275 -7.117 1.00 0.00 C ATOM 0 H5' DT A 12 -10.736 -6.686 -6.667 1.00 0.00 H new ATOM 0 H5'' DT A 12 -10.996 -6.422 -4.954 1.00 0.00 H new ATOM 0 H4' DT A 12 -10.057 -8.555 -5.160 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.100 -6.567 -4.008 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.321 -8.188 -4.103 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.436 -9.539 -4.167 1.00 0.00 H new ATOM 0 H1' DT A 12 -6.971 -9.504 -6.451 1.00 0.00 H new ATOM 0 H3 DT A 12 -2.850 -7.890 -7.297 1.00 0.00 H new ATOM 0 H71 DT A 12 -6.525 -3.967 -8.426 1.00 0.00 H new ATOM 0 H72 DT A 12 -5.387 -3.427 -7.168 1.00 0.00 H new ATOM 0 H73 DT A 12 -4.790 -3.825 -8.796 1.00 0.00 H new ATOM 0 H6 DT A 12 -7.322 -5.858 -7.065 1.00 0.00 H new ATOM 390 P DT A 13 -9.655 -6.901 -1.883 1.00 0.00 P ATOM 391 OP1 DT A 13 -10.993 -7.420 -1.353 1.00 0.00 O ATOM 392 OP2 DT A 13 -9.886 -5.548 -2.564 1.00 0.00 O ATOM 393 O5' DT A 13 -8.618 -6.693 -0.657 1.00 0.00 O ATOM 394 C5' DT A 13 -8.553 -7.559 0.490 1.00 0.00 C ATOM 395 C4' DT A 13 -7.512 -7.055 1.517 1.00 0.00 C ATOM 396 O4' DT A 13 -6.202 -7.069 0.906 1.00 0.00 O ATOM 397 C3' DT A 13 -7.746 -5.613 2.031 1.00 0.00 C ATOM 398 O3' DT A 13 -7.210 -5.416 3.366 1.00 0.00 O ATOM 399 C2' DT A 13 -6.856 -4.810 1.080 1.00 0.00 C ATOM 400 C1' DT A 13 -5.639 -5.745 0.967 1.00 0.00 C ATOM 401 N1 DT A 13 -4.699 -5.498 -0.165 1.00 0.00 N ATOM 402 C2 DT A 13 -3.350 -5.256 0.087 1.00 0.00 C ATOM 403 O2 DT A 13 -2.880 -5.181 1.224 1.00 0.00 O ATOM 404 N3 DT A 13 -2.469 -5.111 -0.942 1.00 0.00 N ATOM 405 C4 DT A 13 -2.788 -5.214 -2.258 1.00 0.00 C ATOM 406 O4 DT A 13 -1.913 -5.090 -3.115 1.00 0.00 O ATOM 407 C5 DT A 13 -4.279 -5.503 -2.596 1.00 0.00 C ATOM 408 C7 DT A 13 -4.668 -5.655 -4.041 1.00 0.00 C ATOM 409 C6 DT A 13 -5.165 -5.632 -1.575 1.00 0.00 C ATOM 0 H5' DT A 13 -8.293 -8.569 0.172 1.00 0.00 H new ATOM 0 H5'' DT A 13 -9.534 -7.616 0.962 1.00 0.00 H new ATOM 0 H4' DT A 13 -7.605 -7.728 2.370 1.00 0.00 H new ATOM 0 H3' DT A 13 -8.804 -5.353 2.064 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.334 -4.635 0.116 1.00 0.00 H new ATOM 0 H2'' DT A 13 -6.591 -3.834 1.487 1.00 0.00 H new ATOM 0 H1' DT A 13 -4.989 -5.573 1.825 1.00 0.00 H new ATOM 0 H3 DT A 13 -1.497 -4.910 -0.706 1.00 0.00 H new ATOM 0 H71 DT A 13 -4.009 -5.048 -4.661 1.00 0.00 H new ATOM 0 H72 DT A 13 -4.579 -6.701 -4.334 1.00 0.00 H new ATOM 0 H73 DT A 13 -5.698 -5.326 -4.177 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.206 -5.831 -1.784 1.00 0.00 H new ATOM 422 P DG A 14 -7.975 -5.718 4.762 1.00 0.00 P ATOM 423 OP1 DG A 14 -8.163 -7.227 4.929 1.00 0.00 O ATOM 424 OP2 DG A 14 -9.345 -5.033 4.765 1.00 0.00 O ATOM 425 O5' DG A 14 -7.069 -5.151 5.990 1.00 0.00 O ATOM 426 C5' DG A 14 -6.865 -3.741 6.182 1.00 0.00 C ATOM 427 C4' DG A 14 -5.890 -3.447 7.352 1.00 0.00 C ATOM 428 O4' DG A 14 -4.553 -3.892 6.981 1.00 0.00 O ATOM 429 C3' DG A 14 -5.787 -1.932 7.683 1.00 0.00 C ATOM 430 O3' DG A 14 -5.544 -1.702 9.107 1.00 0.00 O ATOM 431 C2' DG A 14 -4.584 -1.563 6.809 1.00 0.00 C ATOM 432 C1' DG A 14 -3.657 -2.766 7.038 1.00 0.00 C ATOM 433 N9 DG A 14 -2.545 -2.833 6.045 1.00 0.00 N ATOM 434 C8 DG A 14 -1.194 -2.603 6.241 1.00 0.00 C ATOM 435 N7 DG A 14 -0.333 -2.348 5.203 1.00 0.00 N ATOM 436 C5 DG A 14 -1.261 -2.420 4.190 1.00 0.00 C ATOM 437 C6 DG A 14 -1.042 -2.015 2.712 1.00 0.00 C ATOM 438 O6 DG A 14 0.058 -1.697 2.260 1.00 0.00 O ATOM 439 N1 DG A 14 -2.172 -2.013 1.943 1.00 0.00 N ATOM 440 C2 DG A 14 -3.509 -2.343 2.487 1.00 0.00 C ATOM 441 N2 DG A 14 -4.651 -2.202 1.703 1.00 0.00 N ATOM 442 N3 DG A 14 -3.654 -2.721 3.709 1.00 0.00 N ATOM 443 C4 DG A 14 -2.581 -2.736 4.662 1.00 0.00 C ATOM 0 H5' DG A 14 -7.823 -3.260 6.379 1.00 0.00 H new ATOM 0 H5'' DG A 14 -6.472 -3.304 5.264 1.00 0.00 H new ATOM 0 H4' DG A 14 -6.279 -3.973 8.224 1.00 0.00 H new ATOM 0 H3' DG A 14 -6.686 -1.346 7.490 1.00 0.00 H new ATOM 0 H2' DG A 14 -4.858 -1.451 5.760 1.00 0.00 H new ATOM 0 H2'' DG A 14 -4.123 -0.625 7.120 1.00 0.00 H new ATOM 0 H1' DG A 14 -3.123 -2.718 7.987 1.00 0.00 H new ATOM 0 H8 DG A 14 -0.803 -2.625 7.248 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.091 -1.775 0.955 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.566 -2.433 2.089 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.572 -1.868 0.742 1.00 0.00 H new ATOM 455 P DG A 15 -4.800 -0.367 9.699 1.00 0.00 P ATOM 456 OP1 DG A 15 -5.002 -0.302 11.215 1.00 0.00 O ATOM 457 OP2 DG A 15 -5.393 0.889 9.056 1.00 0.00 O ATOM 458 O5' DG A 15 -3.216 -0.473 9.331 1.00 0.00 O ATOM 459 C5' DG A 15 -2.145 -0.725 10.253 1.00 0.00 C ATOM 460 C4' DG A 15 -1.327 0.556 10.548 1.00 0.00 C ATOM 461 O4' DG A 15 -0.471 0.781 9.409 1.00 0.00 O ATOM 462 C3' DG A 15 -2.095 1.874 10.772 1.00 0.00 C ATOM 463 O3' DG A 15 -1.384 2.702 11.688 1.00 0.00 O ATOM 464 C2' DG A 15 -2.103 2.528 9.387 1.00 0.00 C ATOM 465 C1' DG A 15 -0.796 2.017 8.751 1.00 0.00 C ATOM 466 N9 DG A 15 -0.827 1.805 7.264 1.00 0.00 N ATOM 467 C8 DG A 15 -1.841 1.348 6.436 1.00 0.00 C ATOM 468 N7 DG A 15 -1.641 1.111 5.101 1.00 0.00 N ATOM 469 C5 DG A 15 -0.319 1.466 5.044 1.00 0.00 C ATOM 470 C6 DG A 15 0.562 1.505 3.769 1.00 0.00 C ATOM 471 O6 DG A 15 0.138 1.205 2.654 1.00 0.00 O ATOM 472 N1 DG A 15 1.848 1.916 3.966 1.00 0.00 N ATOM 473 C2 DG A 15 2.363 2.308 5.305 1.00 0.00 C ATOM 474 N2 DG A 15 3.710 2.691 5.450 1.00 0.00 N ATOM 475 N3 DG A 15 1.593 2.290 6.351 1.00 0.00 N ATOM 476 C4 DG A 15 0.206 1.878 6.317 1.00 0.00 C ATOM 0 H5' DG A 15 -1.486 -1.491 9.844 1.00 0.00 H new ATOM 0 H5'' DG A 15 -2.552 -1.119 11.184 1.00 0.00 H new ATOM 0 H4' DG A 15 -0.834 0.347 11.498 1.00 0.00 H new ATOM 0 H3' DG A 15 -3.093 1.720 11.181 1.00 0.00 H new ATOM 0 H2' DG A 15 -2.977 2.231 8.806 1.00 0.00 H new ATOM 0 H2'' DG A 15 -2.120 3.616 9.455 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.877 3.538 11.824 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.047 2.797 8.890 1.00 0.00 H new ATOM 0 H8 DG A 15 -2.820 1.173 6.857 1.00 0.00 H new ATOM 0 H1 DG A 15 2.479 1.956 3.166 1.00 0.00 H new ATOM 0 H21 DG A 15 4.068 2.961 6.366 1.00 0.00 H new ATOM 0 H22 DG A 15 4.328 2.699 4.639 1.00 0.00 H new TER 489 DG A 15