USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 160 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 Set 1.1: A 1 DG O5' : rot -81:sc= 1.29 USER MOD Set 1.2: B 1 DG O5' : rot 180:sc= 1.06 USER MOD Single : A 7 DT C7 :methyl -30:sc= -2.34 (180deg=-4.18!) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl -30:sc= -2.24 (180deg=-4.11!) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.715 0.069 1.364 1.00 0.48 O ATOM 2 C5' DG A 1 -8.236 1.376 1.692 1.00 0.38 C ATOM 3 C4' DG A 1 -6.722 1.316 2.125 1.00 0.35 C ATOM 4 O4' DG A 1 -5.866 0.848 1.061 1.00 0.36 O ATOM 5 C3' DG A 1 -5.890 2.441 2.778 1.00 0.37 C ATOM 6 O3' DG A 1 -4.987 1.872 3.747 1.00 0.42 O ATOM 7 C2' DG A 1 -5.055 2.976 1.608 1.00 0.33 C ATOM 8 C1' DG A 1 -4.671 1.652 0.935 1.00 0.30 C ATOM 9 N9 DG A 1 -4.449 1.671 -0.536 1.00 0.28 N ATOM 10 C8 DG A 1 -3.472 1.052 -1.282 1.00 0.26 C ATOM 11 N7 DG A 1 -3.583 1.244 -2.565 1.00 0.32 N ATOM 12 C5 DG A 1 -4.705 2.044 -2.692 1.00 0.35 C ATOM 13 C6 DG A 1 -5.312 2.575 -3.856 1.00 0.45 C ATOM 14 O6 DG A 1 -4.959 2.431 -5.020 1.00 0.53 O ATOM 15 N1 DG A 1 -6.423 3.334 -3.550 1.00 0.51 N ATOM 16 C2 DG A 1 -6.894 3.553 -2.282 1.00 0.52 C ATOM 17 N2 DG A 1 -7.977 4.296 -2.161 1.00 0.63 N ATOM 18 N3 DG A 1 -6.330 3.057 -1.188 1.00 0.44 N ATOM 19 C4 DG A 1 -5.240 2.313 -1.464 1.00 0.34 C ATOM 0 H5' DG A 1 -8.835 1.797 2.499 1.00 0.38 H new ATOM 0 H5'' DG A 1 -8.349 2.037 0.833 1.00 0.38 H new ATOM 0 H4' DG A 1 -6.969 0.678 2.974 1.00 0.35 H new ATOM 0 H3' DG A 1 -6.503 3.192 3.276 1.00 0.37 H new ATOM 0 H2' DG A 1 -5.629 3.628 0.949 1.00 0.33 H new ATOM 0 H2'' DG A 1 -4.186 3.543 1.940 1.00 0.33 H new ATOM 0 HO5' DG A 1 -8.438 -0.162 0.453 1.00 0.48 H new ATOM 0 H1' DG A 1 -3.739 1.331 1.400 1.00 0.30 H new ATOM 0 H8 DG A 1 -2.683 0.460 -0.842 1.00 0.26 H new ATOM 0 H1 DG A 1 -6.930 3.763 -4.324 1.00 0.51 H new ATOM 0 H21 DG A 1 -8.364 4.486 -1.237 1.00 0.63 H new ATOM 0 H22 DG A 1 -8.427 4.680 -2.992 1.00 0.63 H new ATOM 32 P DG A 2 -4.559 2.596 5.121 1.00 0.41 P ATOM 33 OP1 DG A 2 -3.984 1.555 6.006 1.00 0.50 O ATOM 34 OP2 DG A 2 -5.704 3.407 5.601 1.00 0.54 O ATOM 35 O5' DG A 2 -3.367 3.596 4.646 1.00 0.37 O ATOM 36 C5' DG A 2 -2.015 3.127 4.445 1.00 0.33 C ATOM 37 C4' DG A 2 -1.200 3.891 3.295 1.00 0.31 C ATOM 38 O4' DG A 2 -1.789 3.786 1.962 1.00 0.32 O ATOM 39 C3' DG A 2 -0.992 5.437 3.458 1.00 0.33 C ATOM 40 O3' DG A 2 0.179 6.169 3.010 1.00 0.35 O ATOM 41 C2' DG A 2 -2.035 5.949 2.486 1.00 0.32 C ATOM 42 C1' DG A 2 -1.637 5.061 1.299 1.00 0.28 C ATOM 43 N9 DG A 2 -2.520 5.249 0.114 1.00 0.28 N ATOM 44 C8 DG A 2 -3.802 5.758 0.082 1.00 0.31 C ATOM 45 N7 DG A 2 -4.335 5.784 -1.092 1.00 0.35 N ATOM 46 C5 DG A 2 -3.358 5.266 -1.922 1.00 0.33 C ATOM 47 C6 DG A 2 -3.400 5.065 -3.321 1.00 0.37 C ATOM 48 O6 DG A 2 -4.298 5.313 -4.123 1.00 0.47 O ATOM 49 N1 DG A 2 -2.227 4.530 -3.771 1.00 0.37 N ATOM 50 C2 DG A 2 -1.141 4.220 -3.007 1.00 0.35 C ATOM 51 N2 DG A 2 -0.111 3.747 -3.689 1.00 0.41 N ATOM 52 N3 DG A 2 -1.069 4.396 -1.687 1.00 0.32 N ATOM 53 C4 DG A 2 -2.230 4.930 -1.207 1.00 0.30 C ATOM 0 H5' DG A 2 -2.047 2.065 4.203 1.00 0.33 H new ATOM 0 H5'' DG A 2 -1.469 3.224 5.383 1.00 0.33 H new ATOM 0 H4' DG A 2 -0.254 3.360 3.406 1.00 0.31 H new ATOM 0 H3' DG A 2 -0.977 5.584 4.538 1.00 0.33 H new ATOM 0 H2' DG A 2 -3.057 5.780 2.825 1.00 0.32 H new ATOM 0 H2'' DG A 2 -1.940 7.014 2.276 1.00 0.32 H new ATOM 0 H1' DG A 2 -0.659 5.242 0.853 1.00 0.28 H new ATOM 0 H8 DG A 2 -4.316 6.106 0.966 1.00 0.31 H new ATOM 0 H1 DG A 2 -2.157 4.345 -4.772 1.00 0.37 H new ATOM 0 H21 DG A 2 0.747 3.487 -3.202 1.00 0.41 H new ATOM 0 H22 DG A 2 -0.175 3.642 -4.702 1.00 0.41 H new ATOM 65 P DA A 3 0.562 7.623 3.653 1.00 0.46 P ATOM 66 OP1 DA A 3 -0.465 7.992 4.654 1.00 0.59 O ATOM 67 OP2 DA A 3 0.875 8.541 2.529 1.00 0.65 O ATOM 68 O5' DA A 3 1.944 7.218 4.407 1.00 0.63 O ATOM 69 C5' DA A 3 2.152 5.906 4.980 1.00 0.48 C ATOM 70 C4' DA A 3 3.311 5.104 4.251 1.00 0.39 C ATOM 71 O4' DA A 3 2.973 4.928 2.857 1.00 0.45 O ATOM 72 C3' DA A 3 4.777 5.646 4.225 1.00 0.41 C ATOM 73 O3' DA A 3 5.940 4.775 4.204 1.00 0.45 O ATOM 74 C2' DA A 3 4.788 6.356 2.871 1.00 0.48 C ATOM 75 C1' DA A 3 4.057 5.335 2.004 1.00 0.47 C ATOM 76 N9 DA A 3 3.485 5.965 0.797 1.00 0.45 N ATOM 77 C8 DA A 3 2.354 6.710 0.675 1.00 0.44 C ATOM 78 N7 DA A 3 2.129 7.154 -0.533 1.00 0.43 N ATOM 79 C5 DA A 3 3.200 6.657 -1.264 1.00 0.44 C ATOM 80 C6 DA A 3 3.574 6.760 -2.616 1.00 0.47 C ATOM 81 N6 DA A 3 2.889 7.408 -3.543 1.00 0.49 N ATOM 82 N1 DA A 3 4.691 6.141 -2.988 1.00 0.52 N ATOM 83 C2 DA A 3 5.391 5.468 -2.091 1.00 0.52 C ATOM 84 N3 DA A 3 5.154 5.300 -0.801 1.00 0.49 N ATOM 85 C4 DA A 3 4.024 5.931 -0.454 1.00 0.45 C ATOM 0 H5' DA A 3 1.225 5.335 4.920 1.00 0.48 H new ATOM 0 H5'' DA A 3 2.395 6.009 6.038 1.00 0.48 H new ATOM 0 H4' DA A 3 3.343 4.217 4.884 1.00 0.39 H new ATOM 0 H3' DA A 3 4.917 6.164 5.174 1.00 0.41 H new ATOM 0 H2' DA A 3 4.271 7.315 2.904 1.00 0.48 H new ATOM 0 H2'' DA A 3 5.800 6.551 2.515 1.00 0.48 H new ATOM 0 H1' DA A 3 4.711 4.532 1.664 1.00 0.47 H new ATOM 0 H8 DA A 3 1.697 6.917 1.507 1.00 0.44 H new ATOM 0 H61 DA A 3 3.230 7.435 -4.504 1.00 0.49 H new ATOM 0 H62 DA A 3 2.019 7.881 -3.297 1.00 0.49 H new ATOM 0 H2 DA A 3 6.283 4.987 -2.465 1.00 0.52 H new ATOM 97 P DG A 4 6.073 3.156 4.023 1.00 0.61 P ATOM 98 OP1 DG A 4 7.462 2.891 3.588 1.00 0.69 O ATOM 99 OP2 DG A 4 4.953 2.691 3.175 1.00 0.98 O ATOM 100 O5' DG A 4 5.888 2.513 5.510 1.00 0.81 O ATOM 101 C5' DG A 4 5.479 3.148 6.744 1.00 0.63 C ATOM 102 C4' DG A 4 4.401 2.334 7.484 1.00 0.57 C ATOM 103 O4' DG A 4 3.169 2.251 6.733 1.00 0.49 O ATOM 104 C3' DG A 4 4.732 0.899 7.867 1.00 0.61 C ATOM 105 O3' DG A 4 4.048 0.443 9.060 1.00 0.76 O ATOM 106 C2' DG A 4 4.230 0.239 6.581 1.00 0.46 C ATOM 107 C1' DG A 4 2.833 0.871 6.492 1.00 0.41 C ATOM 108 N9 DG A 4 2.181 0.788 5.155 1.00 0.33 N ATOM 109 C8 DG A 4 2.652 1.247 3.952 1.00 0.33 C ATOM 110 N7 DG A 4 1.862 1.037 2.937 1.00 0.34 N ATOM 111 C5 DG A 4 0.774 0.385 3.510 1.00 0.28 C ATOM 112 C6 DG A 4 -0.415 -0.100 2.902 1.00 0.29 C ATOM 113 O6 DG A 4 -0.747 -0.056 1.723 1.00 0.38 O ATOM 114 N1 DG A 4 -1.249 -0.685 3.818 1.00 0.30 N ATOM 115 C2 DG A 4 -0.995 -0.800 5.151 1.00 0.36 C ATOM 116 N2 DG A 4 -1.951 -1.385 5.857 1.00 0.48 N ATOM 117 N3 DG A 4 0.114 -0.360 5.750 1.00 0.38 N ATOM 118 C4 DG A 4 0.958 0.228 4.864 1.00 0.31 C ATOM 0 H5' DG A 4 5.095 4.145 6.528 1.00 0.63 H new ATOM 0 H5'' DG A 4 6.347 3.273 7.392 1.00 0.63 H new ATOM 0 H4' DG A 4 4.321 2.914 8.403 1.00 0.57 H new ATOM 0 H3' DG A 4 5.768 0.699 8.140 1.00 0.61 H new ATOM 0 H2' DG A 4 4.852 0.478 5.719 1.00 0.46 H new ATOM 0 H2'' DG A 4 4.193 -0.848 6.656 1.00 0.46 H new ATOM 0 H1' DG A 4 2.128 0.381 7.164 1.00 0.41 H new ATOM 0 H8 DG A 4 3.605 1.745 3.853 1.00 0.33 H new ATOM 0 H1 DG A 4 -2.131 -1.065 3.474 1.00 0.30 H new ATOM 0 H21 DG A 4 -1.838 -1.510 6.863 1.00 0.48 H new ATOM 0 H22 DG A 4 -2.800 -1.711 5.395 1.00 0.48 H new ATOM 130 P DG A 5 4.680 -0.688 10.037 1.00 0.94 P ATOM 131 OP1 DG A 5 3.987 -0.655 11.349 1.00 1.23 O ATOM 132 OP2 DG A 5 6.155 -0.562 9.966 1.00 1.16 O ATOM 133 O5' DG A 5 4.239 -2.024 9.224 1.00 0.77 O ATOM 134 C5' DG A 5 2.858 -2.429 9.056 1.00 0.65 C ATOM 135 C4' DG A 5 2.644 -3.465 7.891 1.00 0.53 C ATOM 136 O4' DG A 5 3.008 -2.841 6.613 1.00 0.51 O ATOM 137 C3' DG A 5 3.509 -4.759 7.934 1.00 0.58 C ATOM 138 O3' DG A 5 2.982 -6.106 8.152 1.00 0.65 O ATOM 139 C2' DG A 5 4.356 -4.647 6.640 1.00 0.55 C ATOM 140 C1' DG A 5 3.512 -3.808 5.659 1.00 0.48 C ATOM 141 N9 DG A 5 4.291 -3.172 4.519 1.00 0.48 N ATOM 142 C8 DG A 5 5.623 -2.798 4.493 1.00 0.53 C ATOM 143 N7 DG A 5 6.028 -2.274 3.375 1.00 0.53 N ATOM 144 C5 DG A 5 4.906 -2.289 2.563 1.00 0.46 C ATOM 145 C6 DG A 5 4.762 -1.837 1.211 1.00 0.45 C ATOM 146 O6 DG A 5 5.589 -1.330 0.456 1.00 0.49 O ATOM 147 N1 DG A 5 3.483 -2.029 0.758 1.00 0.41 N ATOM 148 C2 DG A 5 2.481 -2.575 1.497 1.00 0.38 C ATOM 149 N2 DG A 5 1.341 -2.682 0.871 1.00 0.38 N ATOM 150 N3 DG A 5 2.580 -3.005 2.755 1.00 0.39 N ATOM 151 C4 DG A 5 3.833 -2.834 3.239 1.00 0.43 C ATOM 0 H5' DG A 5 2.250 -1.546 8.862 1.00 0.65 H new ATOM 0 H5'' DG A 5 2.499 -2.864 9.989 1.00 0.65 H new ATOM 0 H4' DG A 5 1.597 -3.746 8.005 1.00 0.53 H new ATOM 0 H3' DG A 5 4.010 -4.735 8.902 1.00 0.58 H new ATOM 0 H2' DG A 5 5.315 -4.168 6.840 1.00 0.55 H new ATOM 0 H2'' DG A 5 4.572 -5.632 6.227 1.00 0.55 H new ATOM 0 H1' DG A 5 2.771 -4.372 5.092 1.00 0.48 H new ATOM 0 H8 DG A 5 6.279 -2.932 5.341 1.00 0.53 H new ATOM 0 H1 DG A 5 3.268 -1.743 -0.197 1.00 0.41 H new ATOM 0 H21 DG A 5 0.533 -3.081 1.348 1.00 0.38 H new ATOM 0 H22 DG A 5 1.258 -2.367 -0.096 1.00 0.38 H new ATOM 163 P DA A 6 1.587 -6.717 7.607 1.00 0.46 P ATOM 164 OP1 DA A 6 1.892 -7.975 6.879 1.00 0.67 O ATOM 165 OP2 DA A 6 0.926 -5.600 6.894 1.00 0.61 O ATOM 166 O5' DA A 6 0.749 -7.074 8.941 1.00 0.59 O ATOM 167 C5' DA A 6 -0.523 -6.507 9.309 1.00 0.53 C ATOM 168 C4' DA A 6 -1.702 -6.852 8.317 1.00 0.45 C ATOM 169 O4' DA A 6 -1.593 -6.311 6.983 1.00 0.43 O ATOM 170 C3' DA A 6 -1.803 -8.331 8.002 1.00 0.48 C ATOM 171 O3' DA A 6 -2.305 -9.139 9.063 1.00 0.60 O ATOM 172 C2' DA A 6 -2.770 -8.359 6.824 1.00 0.49 C ATOM 173 C1' DA A 6 -2.272 -7.153 6.012 1.00 0.37 C ATOM 174 N9 DA A 6 -1.429 -7.397 4.801 1.00 0.30 N ATOM 175 C8 DA A 6 -0.102 -7.130 4.640 1.00 0.33 C ATOM 176 N7 DA A 6 0.388 -7.445 3.477 1.00 0.34 N ATOM 177 C5 DA A 6 -0.702 -7.966 2.797 1.00 0.31 C ATOM 178 C6 DA A 6 -0.845 -8.485 1.499 1.00 0.35 C ATOM 179 N6 DA A 6 0.158 -8.563 0.626 1.00 0.41 N ATOM 180 N1 DA A 6 -2.059 -8.913 1.146 1.00 0.40 N ATOM 181 C2 DA A 6 -3.059 -8.832 2.016 1.00 0.41 C ATOM 182 N3 DA A 6 -3.052 -8.369 3.260 1.00 0.38 N ATOM 183 C4 DA A 6 -1.816 -7.944 3.592 1.00 0.30 C ATOM 0 H5' DA A 6 -0.420 -5.424 9.369 1.00 0.53 H new ATOM 0 H5'' DA A 6 -0.789 -6.858 10.306 1.00 0.53 H new ATOM 0 H4' DA A 6 -2.538 -6.429 8.874 1.00 0.45 H new ATOM 0 H3' DA A 6 -0.815 -8.750 7.809 1.00 0.48 H new ATOM 0 H2' DA A 6 -2.708 -9.290 6.261 1.00 0.49 H new ATOM 0 H2'' DA A 6 -3.807 -8.245 7.138 1.00 0.49 H new ATOM 0 H1' DA A 6 -3.142 -6.699 5.536 1.00 0.37 H new ATOM 0 H8 DA A 6 0.499 -6.689 5.421 1.00 0.33 H new ATOM 0 H61 DA A 6 -0.004 -8.950 -0.304 1.00 0.41 H new ATOM 0 H62 DA A 6 1.088 -8.236 0.887 1.00 0.41 H new ATOM 0 H2 DA A 6 -4.013 -9.194 1.661 1.00 0.41 H new ATOM 195 P DT A 7 -1.932 -10.690 9.235 1.00 0.67 P ATOM 196 OP1 DT A 7 -2.502 -11.147 10.521 1.00 0.83 O ATOM 197 OP2 DT A 7 -0.486 -10.867 8.975 1.00 0.71 O ATOM 198 O5' DT A 7 -2.745 -11.414 8.046 1.00 0.75 O ATOM 199 C5' DT A 7 -4.178 -11.542 7.920 1.00 0.85 C ATOM 200 C4' DT A 7 -4.462 -12.140 6.535 1.00 0.89 C ATOM 201 O4' DT A 7 -3.907 -11.321 5.493 1.00 0.82 O ATOM 202 C3' DT A 7 -3.947 -13.521 6.305 1.00 0.95 C ATOM 203 O3' DT A 7 -4.911 -14.490 6.649 1.00 1.13 O ATOM 204 C2' DT A 7 -3.521 -13.594 4.840 1.00 0.94 C ATOM 205 C1' DT A 7 -3.331 -12.124 4.442 1.00 0.85 C ATOM 206 N1 DT A 7 -1.902 -11.761 4.251 1.00 0.76 N ATOM 207 C2 DT A 7 -1.415 -11.614 2.970 1.00 0.82 C ATOM 208 O2 DT A 7 -2.105 -11.785 1.975 1.00 0.94 O ATOM 209 N3 DT A 7 -0.086 -11.272 2.871 1.00 0.83 N ATOM 210 C4 DT A 7 0.787 -11.069 3.921 1.00 0.77 C ATOM 211 O4 DT A 7 1.955 -10.771 3.700 1.00 0.87 O ATOM 212 C5 DT A 7 0.198 -11.248 5.226 1.00 0.66 C ATOM 213 C7 DT A 7 1.026 -11.050 6.496 1.00 0.63 C ATOM 214 C6 DT A 7 -1.099 -11.579 5.333 1.00 0.69 C ATOM 0 H5' DT A 7 -4.661 -10.571 8.026 1.00 0.85 H new ATOM 0 H5'' DT A 7 -4.577 -12.184 8.705 1.00 0.85 H new ATOM 0 H4' DT A 7 -5.551 -12.180 6.508 1.00 0.89 H new ATOM 0 H3' DT A 7 -3.091 -13.738 6.945 1.00 0.95 H new ATOM 0 H2' DT A 7 -2.600 -14.164 4.719 1.00 0.94 H new ATOM 0 H2'' DT A 7 -4.279 -14.080 4.226 1.00 0.94 H new ATOM 0 HO3' DT A 7 -4.547 -15.385 6.487 1.00 1.13 H new ATOM 0 H1' DT A 7 -3.820 -11.949 3.484 1.00 0.85 H new ATOM 0 H3 DT A 7 0.291 -11.157 1.930 1.00 0.83 H new ATOM 0 H71 DT A 7 2.067 -11.302 6.294 1.00 0.63 H new ATOM 0 H72 DT A 7 0.959 -10.010 6.815 1.00 0.63 H new ATOM 0 H73 DT A 7 0.643 -11.697 7.285 1.00 0.63 H new ATOM 0 H6 DT A 7 -1.522 -11.706 6.319 1.00 0.69 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.608 -0.464 -1.255 1.00 0.46 O ATOM 230 C5' DG B 1 -8.091 -1.755 -1.593 1.00 0.38 C ATOM 231 C4' DG B 1 -6.578 -1.625 -2.002 1.00 0.33 C ATOM 232 O4' DG B 1 -5.775 -1.096 -0.924 1.00 0.34 O ATOM 233 C3' DG B 1 -5.671 -2.703 -2.629 1.00 0.35 C ATOM 234 O3' DG B 1 -4.778 -2.086 -3.576 1.00 0.43 O ATOM 235 C2' DG B 1 -4.839 -3.185 -1.432 1.00 0.33 C ATOM 236 C1' DG B 1 -4.546 -1.841 -0.756 1.00 0.30 C ATOM 237 N9 DG B 1 -4.364 -1.852 0.720 1.00 0.27 N ATOM 238 C8 DG B 1 -3.443 -1.180 1.491 1.00 0.25 C ATOM 239 N7 DG B 1 -3.577 -1.380 2.771 1.00 0.32 N ATOM 240 C5 DG B 1 -4.655 -2.242 2.869 1.00 0.35 C ATOM 241 C6 DG B 1 -5.262 -2.807 4.017 1.00 0.45 C ATOM 242 O6 DG B 1 -4.948 -2.645 5.190 1.00 0.54 O ATOM 243 N1 DG B 1 -6.324 -3.625 3.683 1.00 0.50 N ATOM 244 C2 DG B 1 -6.749 -3.865 2.404 1.00 0.49 C ATOM 245 N2 DG B 1 -7.787 -4.667 2.253 1.00 0.62 N ATOM 246 N3 DG B 1 -6.185 -3.340 1.324 1.00 0.41 N ATOM 247 C4 DG B 1 -5.143 -2.537 1.627 1.00 0.33 C ATOM 0 H5' DG B 1 -8.665 -2.184 -2.414 1.00 0.38 H new ATOM 0 H5'' DG B 1 -8.192 -2.432 -0.745 1.00 0.38 H new ATOM 0 H4' DG B 1 -6.842 -1.023 -2.871 1.00 0.33 H new ATOM 0 H3' DG B 1 -6.226 -3.490 -3.140 1.00 0.35 H new ATOM 0 H2' DG B 1 -5.394 -3.865 -0.785 1.00 0.33 H new ATOM 0 H2'' DG B 1 -3.931 -3.705 -1.737 1.00 0.33 H new ATOM 0 HO5' DG B 1 -9.551 -0.545 -1.001 1.00 0.46 H new ATOM 0 H1' DG B 1 -3.620 -1.469 -1.195 1.00 0.30 H new ATOM 0 H8 DG B 1 -2.678 -0.544 1.072 1.00 0.25 H new ATOM 0 H1 DG B 1 -6.827 -4.083 4.443 1.00 0.50 H new ATOM 0 H21 DG B 1 -8.139 -4.875 1.319 1.00 0.62 H new ATOM 0 H22 DG B 1 -8.237 -5.079 3.071 1.00 0.62 H new ATOM 260 P DG B 2 -4.278 -2.783 -4.942 1.00 0.40 P ATOM 261 OP1 DG B 2 -3.733 -1.714 -5.811 1.00 0.48 O ATOM 262 OP2 DG B 2 -5.366 -3.653 -5.452 1.00 0.53 O ATOM 263 O5' DG B 2 -3.049 -3.719 -4.432 1.00 0.37 O ATOM 264 C5' DG B 2 -1.731 -3.177 -4.191 1.00 0.32 C ATOM 265 C4' DG B 2 -0.906 -3.901 -3.022 1.00 0.29 C ATOM 266 O4' DG B 2 -1.534 -3.829 -1.705 1.00 0.32 O ATOM 267 C3' DG B 2 -0.615 -5.433 -3.182 1.00 0.30 C ATOM 268 O3' DG B 2 0.579 -6.109 -2.704 1.00 0.36 O ATOM 269 C2' DG B 2 -1.658 -6.000 -2.241 1.00 0.31 C ATOM 270 C1' DG B 2 -1.336 -5.097 -1.040 1.00 0.29 C ATOM 271 N9 DG B 2 -2.238 -5.329 0.121 1.00 0.27 N ATOM 272 C8 DG B 2 -3.493 -5.904 0.119 1.00 0.31 C ATOM 273 N7 DG B 2 -4.056 -5.957 1.279 1.00 0.34 N ATOM 274 C5 DG B 2 -3.128 -5.390 2.134 1.00 0.30 C ATOM 275 C6 DG B 2 -3.216 -5.191 3.533 1.00 0.34 C ATOM 276 O6 DG B 2 -4.119 -5.487 4.312 1.00 0.41 O ATOM 277 N1 DG B 2 -2.083 -4.599 4.012 1.00 0.34 N ATOM 278 C2 DG B 2 -0.995 -4.234 3.276 1.00 0.35 C ATOM 279 N2 DG B 2 -0.011 -3.708 3.986 1.00 0.41 N ATOM 280 N3 DG B 2 -0.880 -4.406 1.959 1.00 0.33 N ATOM 281 C4 DG B 2 -2.000 -4.998 1.448 1.00 0.28 C ATOM 0 H5' DG B 2 -1.828 -2.119 -3.946 1.00 0.32 H new ATOM 0 H5'' DG B 2 -1.155 -3.238 -5.114 1.00 0.32 H new ATOM 0 H4' DG B 2 0.014 -3.323 -3.107 1.00 0.29 H new ATOM 0 H3' DG B 2 -0.561 -5.574 -4.261 1.00 0.30 H new ATOM 0 H2' DG B 2 -2.678 -5.880 -2.607 1.00 0.31 H new ATOM 0 H2'' DG B 2 -1.517 -7.060 -2.032 1.00 0.31 H new ATOM 0 H1' DG B 2 -0.363 -5.234 -0.568 1.00 0.29 H new ATOM 0 H8 DG B 2 -3.964 -6.278 -0.778 1.00 0.31 H new ATOM 0 H1 DG B 2 -2.047 -4.412 5.014 1.00 0.34 H new ATOM 0 H21 DG B 2 0.846 -3.404 3.523 1.00 0.41 H new ATOM 0 H22 DG B 2 -0.109 -3.606 4.996 1.00 0.41 H new ATOM 293 P DA B 3 1.053 -7.542 -3.335 1.00 0.47 P ATOM 294 OP1 DA B 3 0.071 -7.961 -4.361 1.00 0.61 O ATOM 295 OP2 DA B 3 1.380 -8.443 -2.200 1.00 0.66 O ATOM 296 O5' DA B 3 2.433 -7.071 -4.052 1.00 0.63 O ATOM 297 C5' DA B 3 2.590 -5.752 -4.624 1.00 0.49 C ATOM 298 C4' DA B 3 3.681 -4.888 -3.863 1.00 0.40 C ATOM 299 O4' DA B 3 3.298 -4.732 -2.478 1.00 0.44 O ATOM 300 C3' DA B 3 5.172 -5.353 -3.799 1.00 0.42 C ATOM 301 O3' DA B 3 6.289 -4.425 -3.746 1.00 0.44 O ATOM 302 C2' DA B 3 5.185 -6.063 -2.447 1.00 0.50 C ATOM 303 C1' DA B 3 4.381 -5.083 -1.598 1.00 0.46 C ATOM 304 N9 DA B 3 3.812 -5.739 -0.405 1.00 0.45 N ATOM 305 C8 DA B 3 2.718 -6.541 -0.311 1.00 0.42 C ATOM 306 N7 DA B 3 2.484 -6.996 0.891 1.00 0.42 N ATOM 307 C5 DA B 3 3.510 -6.443 1.649 1.00 0.44 C ATOM 308 C6 DA B 3 3.852 -6.524 3.008 1.00 0.48 C ATOM 309 N6 DA B 3 3.175 -7.206 3.915 1.00 0.50 N ATOM 310 N1 DA B 3 4.928 -5.853 3.410 1.00 0.52 N ATOM 311 C2 DA B 3 5.617 -5.147 2.531 1.00 0.52 C ATOM 312 N3 DA B 3 5.406 -4.991 1.235 1.00 0.49 N ATOM 313 C4 DA B 3 4.317 -5.678 0.859 1.00 0.45 C ATOM 0 H5' DA B 3 1.633 -5.231 -4.596 1.00 0.49 H new ATOM 0 H5'' DA B 3 2.871 -5.845 -5.673 1.00 0.49 H new ATOM 0 H4' DA B 3 3.680 -3.998 -4.492 1.00 0.40 H new ATOM 0 H3' DA B 3 5.362 -5.859 -4.745 1.00 0.42 H new ATOM 0 H2' DA B 3 4.719 -7.047 -2.493 1.00 0.50 H new ATOM 0 H2'' DA B 3 6.196 -6.206 -2.066 1.00 0.50 H new ATOM 0 H1' DA B 3 4.986 -4.249 -1.242 1.00 0.46 H new ATOM 0 H8 DA B 3 2.094 -6.782 -1.159 1.00 0.42 H new ATOM 0 H61 DA B 3 3.489 -7.215 4.885 1.00 0.50 H new ATOM 0 H62 DA B 3 2.338 -7.723 3.645 1.00 0.50 H new ATOM 0 H2 DA B 3 6.474 -4.623 2.927 1.00 0.52 H new ATOM 325 P DG B 4 6.335 -2.801 -3.565 1.00 0.62 P ATOM 326 OP1 DG B 4 7.696 -2.465 -3.095 1.00 0.75 O ATOM 327 OP2 DG B 4 5.171 -2.391 -2.749 1.00 1.01 O ATOM 328 O5' DG B 4 6.163 -2.171 -5.059 1.00 0.80 O ATOM 329 C5' DG B 4 5.805 -2.827 -6.300 1.00 0.63 C ATOM 330 C4' DG B 4 4.711 -2.064 -7.066 1.00 0.56 C ATOM 331 O4' DG B 4 3.458 -2.042 -6.347 1.00 0.49 O ATOM 332 C3' DG B 4 4.981 -0.611 -7.443 1.00 0.60 C ATOM 333 O3' DG B 4 4.307 -0.191 -8.654 1.00 0.76 O ATOM 334 C2' DG B 4 4.410 0.023 -6.173 1.00 0.46 C ATOM 335 C1' DG B 4 3.046 -0.681 -6.118 1.00 0.41 C ATOM 336 N9 DG B 4 2.357 -0.633 -4.797 1.00 0.33 N ATOM 337 C8 DG B 4 2.819 -1.067 -3.582 1.00 0.32 C ATOM 338 N7 DG B 4 1.993 -0.899 -2.588 1.00 0.33 N ATOM 339 C5 DG B 4 0.889 -0.303 -3.190 1.00 0.28 C ATOM 340 C6 DG B 4 -0.339 0.121 -2.613 1.00 0.29 C ATOM 341 O6 DG B 4 -0.701 0.059 -1.443 1.00 0.38 O ATOM 342 N1 DG B 4 -1.179 0.663 -3.550 1.00 0.29 N ATOM 343 C2 DG B 4 -0.895 0.791 -4.878 1.00 0.37 C ATOM 344 N2 DG B 4 -1.862 1.325 -5.608 1.00 0.50 N ATOM 345 N3 DG B 4 0.249 0.408 -5.447 1.00 0.38 N ATOM 346 C4 DG B 4 1.100 -0.135 -4.538 1.00 0.30 C ATOM 0 H5' DG B 4 5.459 -3.839 -6.088 1.00 0.63 H new ATOM 0 H5'' DG B 4 6.690 -2.918 -6.929 1.00 0.63 H new ATOM 0 H4' DG B 4 4.685 -2.645 -7.988 1.00 0.56 H new ATOM 0 H3' DG B 4 6.013 -0.359 -7.688 1.00 0.60 H new ATOM 0 H2' DG B 4 5.021 -0.181 -5.294 1.00 0.46 H new ATOM 0 H2'' DG B 4 4.318 1.106 -6.252 1.00 0.46 H new ATOM 0 H1' DG B 4 2.335 -0.227 -6.808 1.00 0.41 H new ATOM 0 H8 DG B 4 3.794 -1.514 -3.458 1.00 0.32 H new ATOM 0 H1 DG B 4 -2.088 0.997 -3.229 1.00 0.29 H new ATOM 0 H21 DG B 4 -1.731 1.456 -6.611 1.00 0.50 H new ATOM 0 H22 DG B 4 -2.738 1.605 -5.167 1.00 0.50 H new ATOM 358 P DG B 5 4.905 0.972 -9.615 1.00 0.95 P ATOM 359 OP1 DG B 5 4.250 0.904 -10.945 1.00 1.22 O ATOM 360 OP2 DG B 5 6.381 0.923 -9.506 1.00 1.18 O ATOM 361 O5' DG B 5 4.375 2.282 -8.814 1.00 0.80 O ATOM 362 C5' DG B 5 2.970 2.612 -8.678 1.00 0.67 C ATOM 363 C4' DG B 5 2.677 3.642 -7.524 1.00 0.54 C ATOM 364 O4' DG B 5 3.037 3.038 -6.237 1.00 0.50 O ATOM 365 C3' DG B 5 3.475 4.978 -7.550 1.00 0.57 C ATOM 366 O3' DG B 5 2.884 6.297 -7.778 1.00 0.66 O ATOM 367 C2' DG B 5 4.297 4.909 -6.237 1.00 0.56 C ATOM 368 C1' DG B 5 3.473 4.029 -5.273 1.00 0.49 C ATOM 369 N9 DG B 5 4.250 3.430 -4.112 1.00 0.48 N ATOM 370 C8 DG B 5 5.597 3.124 -4.050 1.00 0.53 C ATOM 371 N7 DG B 5 5.998 2.621 -2.922 1.00 0.51 N ATOM 372 C5 DG B 5 4.857 2.575 -2.141 1.00 0.44 C ATOM 373 C6 DG B 5 4.702 2.113 -0.793 1.00 0.40 C ATOM 374 O6 DG B 5 5.534 1.649 -0.018 1.00 0.45 O ATOM 375 N1 DG B 5 3.405 2.241 -0.372 1.00 0.36 N ATOM 376 C2 DG B 5 2.396 2.737 -1.136 1.00 0.36 C ATOM 377 N2 DG B 5 1.234 2.782 -0.539 1.00 0.34 N ATOM 378 N3 DG B 5 2.503 3.173 -2.391 1.00 0.40 N ATOM 379 C4 DG B 5 3.775 3.065 -2.845 1.00 0.43 C ATOM 0 H5' DG B 5 2.407 1.698 -8.490 1.00 0.67 H new ATOM 0 H5'' DG B 5 2.608 3.022 -9.621 1.00 0.67 H new ATOM 0 H4' DG B 5 1.622 3.874 -7.667 1.00 0.54 H new ATOM 0 H3' DG B 5 3.997 4.980 -8.507 1.00 0.57 H new ATOM 0 H2' DG B 5 5.282 4.478 -6.414 1.00 0.56 H new ATOM 0 H2'' DG B 5 4.454 5.904 -5.821 1.00 0.56 H new ATOM 0 H1' DG B 5 2.695 4.559 -4.724 1.00 0.49 H new ATOM 0 H8 DG B 5 6.267 3.291 -4.880 1.00 0.53 H new ATOM 0 H1 DG B 5 3.181 1.944 0.578 1.00 0.36 H new ATOM 0 H21 DG B 5 0.419 3.140 -1.036 1.00 0.34 H new ATOM 0 H22 DG B 5 1.143 2.459 0.424 1.00 0.34 H new ATOM 391 P DA B 6 1.448 6.836 -7.266 1.00 0.47 P ATOM 392 OP1 DA B 6 1.673 8.105 -6.532 1.00 0.69 O ATOM 393 OP2 DA B 6 0.828 5.686 -6.570 1.00 0.62 O ATOM 394 O5' DA B 6 0.624 7.151 -8.620 1.00 0.60 O ATOM 395 C5' DA B 6 -0.600 6.504 -9.021 1.00 0.54 C ATOM 396 C4' DA B 6 -1.827 6.794 -8.069 1.00 0.43 C ATOM 397 O4' DA B 6 -1.732 6.264 -6.729 1.00 0.41 O ATOM 398 C3' DA B 6 -2.008 8.262 -7.763 1.00 0.49 C ATOM 399 O3' DA B 6 -2.516 9.054 -8.833 1.00 0.59 O ATOM 400 C2' DA B 6 -2.998 8.272 -6.603 1.00 0.48 C ATOM 401 C1' DA B 6 -2.476 7.077 -5.778 1.00 0.37 C ATOM 402 N9 DA B 6 -1.675 7.357 -4.546 1.00 0.32 N ATOM 403 C8 DA B 6 -0.343 7.153 -4.349 1.00 0.34 C ATOM 404 N7 DA B 6 0.102 7.491 -3.174 1.00 0.35 N ATOM 405 C5 DA B 6 -1.028 7.961 -2.522 1.00 0.31 C ATOM 406 C6 DA B 6 -1.230 8.473 -1.229 1.00 0.34 C ATOM 407 N6 DA B 6 -0.258 8.601 -0.329 1.00 0.41 N ATOM 408 N1 DA B 6 -2.472 8.840 -0.908 1.00 0.38 N ATOM 409 C2 DA B 6 -3.444 8.709 -1.804 1.00 0.39 C ATOM 410 N3 DA B 6 -3.381 8.248 -3.045 1.00 0.36 N ATOM 411 C4 DA B 6 -2.120 7.884 -3.346 1.00 0.31 C ATOM 0 H5' DA B 6 -0.433 5.428 -9.062 1.00 0.54 H new ATOM 0 H5'' DA B 6 -0.854 6.826 -10.031 1.00 0.54 H new ATOM 0 H4' DA B 6 -2.623 6.330 -8.651 1.00 0.43 H new ATOM 0 H3' DA B 6 -1.037 8.711 -7.552 1.00 0.49 H new ATOM 0 H2' DA B 6 -2.970 9.206 -6.042 1.00 0.48 H new ATOM 0 H2'' DA B 6 -4.027 8.129 -6.934 1.00 0.48 H new ATOM 0 H1' DA B 6 -3.341 6.585 -5.333 1.00 0.37 H new ATOM 0 H8 DA B 6 0.298 6.740 -5.114 1.00 0.34 H new ATOM 0 H61 DA B 6 -0.465 8.980 0.595 1.00 0.41 H new ATOM 0 H62 DA B 6 0.694 8.320 -0.563 1.00 0.41 H new ATOM 0 H2 DA B 6 -4.424 9.022 -1.475 1.00 0.39 H new ATOM 423 P DT B 7 -2.220 10.623 -8.991 1.00 0.66 P ATOM 424 OP1 DT B 7 -2.783 11.053 -10.290 1.00 0.83 O ATOM 425 OP2 DT B 7 -0.792 10.873 -8.696 1.00 0.71 O ATOM 426 O5' DT B 7 -3.098 11.302 -7.821 1.00 0.73 O ATOM 427 C5' DT B 7 -4.537 11.359 -7.726 1.00 0.84 C ATOM 428 C4' DT B 7 -4.887 11.924 -6.356 1.00 0.89 C ATOM 429 O4' DT B 7 -4.299 11.142 -5.308 1.00 0.85 O ATOM 430 C3' DT B 7 -4.453 13.346 -6.117 1.00 0.96 C ATOM 431 O3' DT B 7 -5.442 14.283 -6.513 1.00 1.15 O ATOM 432 C2' DT B 7 -4.099 13.437 -4.632 1.00 1.01 C ATOM 433 C1' DT B 7 -3.815 11.976 -4.237 1.00 0.87 C ATOM 434 N1 DT B 7 -2.378 11.690 -4.010 1.00 0.77 N ATOM 435 C2 DT B 7 -1.916 11.565 -2.716 1.00 0.83 C ATOM 436 O2 DT B 7 -2.640 11.695 -1.738 1.00 0.94 O ATOM 437 N3 DT B 7 -0.575 11.296 -2.579 1.00 0.83 N ATOM 438 C4 DT B 7 0.335 11.142 -3.603 1.00 0.75 C ATOM 439 O4 DT B 7 1.513 10.912 -3.355 1.00 0.86 O ATOM 440 C5 DT B 7 -0.235 11.288 -4.921 1.00 0.65 C ATOM 441 C7 DT B 7 0.630 11.145 -6.172 1.00 0.62 C ATOM 442 C6 DT B 7 -1.538 11.550 -5.066 1.00 0.68 C ATOM 0 H5' DT B 7 -4.968 10.366 -7.852 1.00 0.84 H new ATOM 0 H5'' DT B 7 -4.948 11.988 -8.516 1.00 0.84 H new ATOM 0 H4' DT B 7 -5.976 11.891 -6.344 1.00 0.89 H new ATOM 0 H3' DT B 7 -3.588 13.603 -6.729 1.00 0.96 H new ATOM 0 H2' DT B 7 -3.230 14.073 -4.465 1.00 1.01 H new ATOM 0 H2'' DT B 7 -4.919 13.858 -4.050 1.00 1.01 H new ATOM 0 HO3' DT B 7 -5.120 15.192 -6.339 1.00 1.15 H new ATOM 0 H1' DT B 7 -4.317 11.778 -3.290 1.00 0.87 H new ATOM 0 H3 DT B 7 -0.219 11.201 -1.628 1.00 0.83 H new ATOM 0 H71 DT B 7 1.649 11.459 -5.948 1.00 0.62 H new ATOM 0 H72 DT B 7 0.634 10.104 -6.494 1.00 0.62 H new ATOM 0 H73 DT B 7 0.225 11.770 -6.968 1.00 0.62 H new ATOM 0 H6 DT B 7 -1.938 11.654 -6.064 1.00 0.68 H new TER 456 DT B 7