USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 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 171:sc= 1.02 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.221 (180deg=-1.96) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.134 (180deg=-0.134) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.712) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.072 2.632 -11.731 1.00 0.33 O ATOM 2 C5' DG A 1 9.170 2.459 -13.152 1.00 0.30 C ATOM 3 C4' DG A 1 9.441 1.028 -13.611 1.00 0.21 C ATOM 4 O4' DG A 1 10.721 0.517 -13.107 1.00 0.24 O ATOM 5 C3' DG A 1 8.370 0.051 -13.096 1.00 0.19 C ATOM 6 O3' DG A 1 8.037 -0.939 -14.073 1.00 0.18 O ATOM 7 C2' DG A 1 9.189 -0.581 -11.950 1.00 0.15 C ATOM 8 C1' DG A 1 10.543 -0.841 -12.570 1.00 0.16 C ATOM 9 N9 DG A 1 11.601 -1.211 -11.661 1.00 0.16 N ATOM 10 C8 DG A 1 12.968 -1.161 -11.819 1.00 0.18 C ATOM 11 N7 DG A 1 13.654 -1.536 -10.748 1.00 0.18 N ATOM 12 C5 DG A 1 12.656 -1.849 -9.838 1.00 0.15 C ATOM 13 C6 DG A 1 12.787 -2.313 -8.496 1.00 0.15 C ATOM 14 O6 DG A 1 13.834 -2.516 -7.855 1.00 0.20 O ATOM 15 N1 DG A 1 11.539 -2.504 -7.930 1.00 0.12 N ATOM 16 C2 DG A 1 10.350 -2.292 -8.538 1.00 0.13 C ATOM 17 N2 DG A 1 9.241 -2.522 -7.886 1.00 0.16 N ATOM 18 N3 DG A 1 10.237 -1.871 -9.767 1.00 0.14 N ATOM 19 C4 DG A 1 11.413 -1.657 -10.382 1.00 0.14 C ATOM 0 H5' DG A 1 9.966 3.102 -13.527 1.00 0.30 H new ATOM 0 H5'' DG A 1 8.242 2.802 -13.609 1.00 0.30 H new ATOM 0 H4' DG A 1 9.443 1.079 -14.700 1.00 0.21 H new ATOM 0 H3' DG A 1 7.413 0.500 -12.831 1.00 0.19 H new ATOM 0 H2' DG A 1 9.264 0.091 -11.095 1.00 0.15 H new ATOM 0 H2'' DG A 1 8.730 -1.503 -11.592 1.00 0.15 H new ATOM 0 HO5' DG A 1 9.042 3.588 -11.519 1.00 0.33 H new ATOM 0 H1' DG A 1 10.585 -1.690 -13.253 1.00 0.16 H new ATOM 0 H8 DG A 1 13.441 -0.844 -12.737 1.00 0.18 H new ATOM 0 H1 DG A 1 11.514 -2.835 -6.966 1.00 0.12 H new ATOM 0 H21 DG A 1 8.341 -2.364 -8.339 1.00 0.16 H new ATOM 0 H22 DG A 1 9.276 -2.859 -6.924 1.00 0.16 H new ATOM 32 P DG A 2 7.131 -2.213 -13.688 1.00 0.19 P ATOM 33 OP1 DG A 2 6.329 -2.603 -14.873 1.00 0.25 O ATOM 34 OP2 DG A 2 6.460 -1.931 -12.402 1.00 0.25 O ATOM 35 O5' DG A 2 8.248 -3.359 -13.438 1.00 0.20 O ATOM 36 C5' DG A 2 9.144 -3.882 -14.434 1.00 0.17 C ATOM 37 C4' DG A 2 9.918 -5.162 -13.927 1.00 0.16 C ATOM 38 O4' DG A 2 10.623 -4.878 -12.678 1.00 0.16 O ATOM 39 C3' DG A 2 8.934 -6.329 -13.610 1.00 0.16 C ATOM 40 O3' DG A 2 9.389 -7.711 -13.882 1.00 0.19 O ATOM 41 C2' DG A 2 8.800 -6.061 -12.161 1.00 0.13 C ATOM 42 C1' DG A 2 10.229 -5.849 -11.697 1.00 0.14 C ATOM 43 N9 DG A 2 10.530 -5.650 -10.261 1.00 0.12 N ATOM 44 C8 DG A 2 9.645 -5.441 -9.221 1.00 0.14 C ATOM 45 N7 DG A 2 10.227 -5.366 -8.062 1.00 0.14 N ATOM 46 C5 DG A 2 11.579 -5.529 -8.332 1.00 0.11 C ATOM 47 C6 DG A 2 12.652 -5.533 -7.442 1.00 0.13 C ATOM 48 O6 DG A 2 12.577 -5.421 -6.237 1.00 0.13 O ATOM 49 N1 DG A 2 13.845 -5.722 -8.074 1.00 0.19 N ATOM 50 C2 DG A 2 13.994 -5.886 -9.438 1.00 0.23 C ATOM 51 N2 DG A 2 15.235 -6.052 -9.887 1.00 0.26 N ATOM 52 N3 DG A 2 12.976 -5.888 -10.312 1.00 0.22 N ATOM 53 C4 DG A 2 11.791 -5.703 -9.672 1.00 0.13 C ATOM 0 H5' DG A 2 9.863 -3.112 -14.714 1.00 0.17 H new ATOM 0 H5'' DG A 2 8.580 -4.133 -15.332 1.00 0.17 H new ATOM 0 H4' DG A 2 10.609 -5.439 -14.723 1.00 0.16 H new ATOM 0 H3' DG A 2 8.040 -6.325 -14.234 1.00 0.16 H new ATOM 0 H2' DG A 2 8.184 -5.182 -11.972 1.00 0.13 H new ATOM 0 H2'' DG A 2 8.331 -6.897 -11.642 1.00 0.13 H new ATOM 0 H1' DG A 2 10.849 -6.745 -11.671 1.00 0.14 H new ATOM 0 H8 DG A 2 8.578 -5.349 -9.358 1.00 0.14 H new ATOM 0 H1 DG A 2 14.687 -5.744 -7.499 1.00 0.19 H new ATOM 0 H21 DG A 2 15.404 -6.178 -10.885 1.00 0.26 H new ATOM 0 H22 DG A 2 16.018 -6.054 -9.233 1.00 0.26 H new ATOM 65 P DT A 3 9.698 -8.953 -12.888 1.00 0.19 P ATOM 66 OP1 DT A 3 10.831 -8.569 -12.036 1.00 0.24 O ATOM 67 OP2 DT A 3 9.805 -10.149 -13.742 1.00 0.26 O ATOM 68 O5' DT A 3 8.386 -9.127 -11.919 1.00 0.25 O ATOM 69 C5' DT A 3 7.463 -10.214 -12.046 1.00 0.26 C ATOM 70 C4' DT A 3 6.062 -9.708 -12.381 1.00 0.24 C ATOM 71 O4' DT A 3 6.069 -8.930 -13.611 1.00 0.25 O ATOM 72 C3' DT A 3 5.335 -8.810 -11.323 1.00 0.24 C ATOM 73 O3' DT A 3 6.262 -7.928 -10.600 1.00 0.27 O ATOM 74 C2' DT A 3 4.631 -7.896 -12.339 1.00 0.23 C ATOM 75 C1' DT A 3 5.750 -7.562 -13.329 1.00 0.22 C ATOM 76 N1 DT A 3 5.469 -6.727 -14.508 1.00 0.26 N ATOM 77 C2 DT A 3 5.477 -5.359 -14.290 1.00 0.27 C ATOM 78 O2 DT A 3 5.675 -4.861 -13.190 1.00 0.32 O ATOM 79 N3 DT A 3 5.245 -4.550 -15.374 1.00 0.31 N ATOM 80 C4 DT A 3 5.005 -4.978 -16.652 1.00 0.35 C ATOM 81 O4 DT A 3 4.801 -4.161 -17.538 1.00 0.39 O ATOM 82 C5 DT A 3 5.014 -6.417 -16.808 1.00 0.37 C ATOM 83 C7 DT A 3 4.797 -7.023 -18.212 1.00 0.48 C ATOM 84 C6 DT A 3 5.239 -7.238 -15.751 1.00 0.33 C ATOM 0 H5' DT A 3 7.435 -10.782 -11.116 1.00 0.26 H new ATOM 0 H5'' DT A 3 7.803 -10.895 -12.826 1.00 0.26 H new ATOM 0 H4' DT A 3 5.509 -10.645 -12.441 1.00 0.24 H new ATOM 0 H3' DT A 3 4.769 -9.362 -10.573 1.00 0.24 H new ATOM 0 H2' DT A 3 3.797 -8.401 -12.827 1.00 0.23 H new ATOM 0 H2'' DT A 3 4.229 -7.000 -11.866 1.00 0.23 H new ATOM 0 H1' DT A 3 6.520 -6.895 -12.942 1.00 0.22 H new ATOM 0 H3 DT A 3 5.252 -3.543 -15.214 1.00 0.31 H new ATOM 0 H71 DT A 3 5.329 -7.972 -18.285 1.00 0.48 H new ATOM 0 H72 DT A 3 3.732 -7.190 -18.376 1.00 0.48 H new ATOM 0 H73 DT A 3 5.177 -6.335 -18.968 1.00 0.48 H new ATOM 0 H6 DT A 3 5.236 -8.308 -15.896 1.00 0.33 H new ATOM 97 P DT A 4 5.845 -7.021 -9.345 1.00 0.22 P ATOM 98 OP1 DT A 4 4.465 -6.562 -9.573 1.00 0.28 O ATOM 99 OP2 DT A 4 6.902 -6.021 -9.115 1.00 0.26 O ATOM 100 O5' DT A 4 5.815 -8.019 -8.065 1.00 0.28 O ATOM 101 C5' DT A 4 4.871 -9.105 -7.969 1.00 0.29 C ATOM 102 C4' DT A 4 5.014 -9.885 -6.671 1.00 0.27 C ATOM 103 O4' DT A 4 6.354 -10.351 -6.382 1.00 0.25 O ATOM 104 C3' DT A 4 4.656 -8.996 -5.480 1.00 0.35 C ATOM 105 O3' DT A 4 4.268 -9.801 -4.378 1.00 0.43 O ATOM 106 C2' DT A 4 6.075 -8.436 -5.225 1.00 0.26 C ATOM 107 C1' DT A 4 7.019 -9.647 -5.289 1.00 0.24 C ATOM 108 N1 DT A 4 8.452 -9.387 -5.613 1.00 0.20 N ATOM 109 C2 DT A 4 9.310 -9.264 -4.546 1.00 0.25 C ATOM 110 O2 DT A 4 8.985 -9.351 -3.373 1.00 0.28 O ATOM 111 N3 DT A 4 10.621 -9.042 -4.848 1.00 0.27 N ATOM 112 C4 DT A 4 11.158 -8.934 -6.093 1.00 0.25 C ATOM 113 O4 DT A 4 12.364 -8.740 -6.152 1.00 0.33 O ATOM 114 C5 DT A 4 10.215 -9.071 -7.174 1.00 0.18 C ATOM 115 C7 DT A 4 10.734 -8.979 -8.625 1.00 0.22 C ATOM 116 C6 DT A 4 8.917 -9.286 -6.928 1.00 0.16 C ATOM 0 H5' DT A 4 5.011 -9.780 -8.813 1.00 0.29 H new ATOM 0 H5'' DT A 4 3.858 -8.710 -8.042 1.00 0.29 H new ATOM 0 H4' DT A 4 4.353 -10.740 -6.810 1.00 0.27 H new ATOM 0 H3' DT A 4 3.852 -8.275 -5.629 1.00 0.35 H new ATOM 0 H2' DT A 4 6.342 -7.691 -5.975 1.00 0.26 H new ATOM 0 H2'' DT A 4 6.133 -7.945 -4.253 1.00 0.26 H new ATOM 0 H1' DT A 4 7.133 -10.147 -4.327 1.00 0.24 H new ATOM 0 H3 DT A 4 11.263 -8.947 -4.061 1.00 0.27 H new ATOM 0 H71 DT A 4 11.605 -8.324 -8.659 1.00 0.22 H new ATOM 0 H72 DT A 4 11.013 -9.973 -8.975 1.00 0.22 H new ATOM 0 H73 DT A 4 9.951 -8.575 -9.267 1.00 0.22 H new ATOM 0 H6 DT A 4 8.224 -9.382 -7.751 1.00 0.16 H new ATOM 129 P DG A 5 3.187 -9.391 -3.296 1.00 0.53 P ATOM 130 OP1 DG A 5 2.817 -10.534 -2.664 1.00 0.95 O ATOM 131 OP2 DG A 5 2.210 -8.587 -3.801 1.00 0.94 O ATOM 132 O5' DG A 5 3.892 -8.547 -2.256 1.00 0.27 O ATOM 133 C5' DG A 5 3.253 -7.693 -1.294 1.00 0.29 C ATOM 134 C4' DG A 5 3.776 -6.256 -1.365 1.00 0.23 C ATOM 135 O4' DG A 5 5.208 -6.169 -1.097 1.00 0.23 O ATOM 136 C3' DG A 5 3.518 -5.662 -2.752 1.00 0.23 C ATOM 137 O3' DG A 5 3.327 -4.244 -2.633 1.00 0.24 O ATOM 138 C2' DG A 5 4.967 -5.848 -3.263 1.00 0.22 C ATOM 139 C1' DG A 5 5.861 -5.391 -2.102 1.00 0.21 C ATOM 140 N9 DG A 5 7.239 -5.782 -2.317 1.00 0.19 N ATOM 141 C8 DG A 5 8.140 -6.298 -1.406 1.00 0.24 C ATOM 142 N7 DG A 5 9.315 -6.529 -1.930 1.00 0.27 N ATOM 143 C5 DG A 5 9.164 -6.137 -3.267 1.00 0.21 C ATOM 144 C6 DG A 5 10.105 -6.154 -4.343 1.00 0.21 C ATOM 145 O6 DG A 5 11.277 -6.538 -4.308 1.00 0.24 O ATOM 146 N1 DG A 5 9.568 -5.688 -5.487 1.00 0.15 N ATOM 147 C2 DG A 5 8.274 -5.253 -5.615 1.00 0.13 C ATOM 148 N2 DG A 5 7.862 -4.795 -6.789 1.00 0.17 N ATOM 149 N3 DG A 5 7.404 -5.237 -4.637 1.00 0.13 N ATOM 150 C4 DG A 5 7.908 -5.690 -3.496 1.00 0.15 C ATOM 0 H5' DG A 5 3.417 -8.089 -0.292 1.00 0.29 H new ATOM 0 H5'' DG A 5 2.177 -7.696 -1.465 1.00 0.29 H new ATOM 0 H4' DG A 5 3.241 -5.698 -0.597 1.00 0.23 H new ATOM 0 H3' DG A 5 2.683 -6.074 -3.318 1.00 0.23 H new ATOM 0 H2' DG A 5 5.162 -6.888 -3.525 1.00 0.22 H new ATOM 0 H2'' DG A 5 5.149 -5.254 -4.158 1.00 0.22 H new ATOM 0 H1' DG A 5 5.946 -4.322 -1.908 1.00 0.21 H new ATOM 0 H8 DG A 5 7.899 -6.490 -0.371 1.00 0.24 H new ATOM 0 H1 DG A 5 10.164 -5.657 -6.314 1.00 0.15 H new ATOM 0 H21 DG A 5 6.902 -4.468 -6.901 1.00 0.17 H new ATOM 0 H22 DG A 5 8.505 -4.770 -7.581 1.00 0.17 H new ATOM 162 P DG A 6 2.857 -3.284 -3.813 1.00 0.23 P ATOM 163 OP1 DG A 6 1.597 -3.829 -4.341 1.00 0.37 O ATOM 164 OP2 DG A 6 3.997 -3.032 -4.724 1.00 0.21 O ATOM 165 O5' DG A 6 2.489 -1.933 -2.988 1.00 0.23 O ATOM 166 C5' DG A 6 3.417 -1.006 -2.426 1.00 0.21 C ATOM 167 C4' DG A 6 4.554 -1.589 -1.559 1.00 0.15 C ATOM 168 O4' DG A 6 5.463 -2.346 -2.395 1.00 0.16 O ATOM 169 C3' DG A 6 5.446 -0.507 -0.910 1.00 0.15 C ATOM 170 O3' DG A 6 5.937 -0.925 0.356 1.00 0.15 O ATOM 171 C2' DG A 6 6.577 -0.464 -1.850 1.00 0.18 C ATOM 172 C1' DG A 6 6.816 -1.916 -2.128 1.00 0.15 C ATOM 173 N9 DG A 6 7.777 -2.200 -3.172 1.00 0.13 N ATOM 174 C8 DG A 6 7.569 -2.287 -4.525 1.00 0.13 C ATOM 175 N7 DG A 6 8.654 -2.557 -5.202 1.00 0.13 N ATOM 176 C5 DG A 6 9.628 -2.649 -4.218 1.00 0.12 C ATOM 177 C6 DG A 6 11.003 -2.916 -4.352 1.00 0.12 C ATOM 178 O6 DG A 6 11.644 -3.082 -5.384 1.00 0.14 O ATOM 179 N1 DG A 6 11.629 -2.925 -3.139 1.00 0.10 N ATOM 180 C2 DG A 6 11.043 -2.701 -1.927 1.00 0.12 C ATOM 181 N2 DG A 6 11.815 -2.723 -0.855 1.00 0.16 N ATOM 182 N3 DG A 6 9.749 -2.444 -1.791 1.00 0.14 N ATOM 183 C4 DG A 6 9.104 -2.431 -2.974 1.00 0.12 C ATOM 0 H5' DG A 6 2.858 -0.294 -1.818 1.00 0.21 H new ATOM 0 H5'' DG A 6 3.869 -0.442 -3.242 1.00 0.21 H new ATOM 0 H4' DG A 6 4.054 -2.181 -0.792 1.00 0.15 H new ATOM 0 H3' DG A 6 4.922 0.435 -0.746 1.00 0.15 H new ATOM 0 H2' DG A 6 6.331 0.089 -2.757 1.00 0.18 H new ATOM 0 H2'' DG A 6 7.452 0.016 -1.412 1.00 0.18 H new ATOM 0 H1' DG A 6 7.304 -2.453 -1.314 1.00 0.15 H new ATOM 0 H8 DG A 6 6.603 -2.146 -4.986 1.00 0.13 H new ATOM 0 H1 DG A 6 12.631 -3.118 -3.138 1.00 0.10 H new ATOM 0 H21 DG A 6 11.412 -2.560 0.067 1.00 0.16 H new ATOM 0 H22 DG A 6 12.814 -2.903 -0.950 1.00 0.16 H new ATOM 195 P DT A 7 5.291 -0.400 1.716 1.00 0.14 P ATOM 196 OP1 DT A 7 4.381 -1.435 2.224 1.00 0.28 O ATOM 197 OP2 DT A 7 4.772 0.960 1.483 1.00 0.26 O ATOM 198 O5' DT A 7 6.534 -0.331 2.749 1.00 0.14 O ATOM 199 C5' DT A 7 7.262 -1.500 3.159 1.00 0.17 C ATOM 200 C4' DT A 7 8.734 -1.465 2.692 1.00 0.16 C ATOM 201 O4' DT A 7 9.357 -2.739 3.061 1.00 0.20 O ATOM 202 C3' DT A 7 8.843 -1.407 1.164 1.00 0.15 C ATOM 203 O3' DT A 7 10.144 -1.041 0.710 1.00 0.16 O ATOM 204 C2' DT A 7 8.728 -2.939 0.934 1.00 0.19 C ATOM 205 C1' DT A 7 9.764 -3.545 1.907 1.00 0.22 C ATOM 206 N1 DT A 7 9.746 -5.009 2.090 1.00 0.30 N ATOM 207 C2 DT A 7 10.496 -5.752 1.228 1.00 0.20 C ATOM 208 O2 DT A 7 11.176 -5.257 0.390 1.00 0.30 O ATOM 209 N3 DT A 7 10.486 -7.115 1.353 1.00 0.28 N ATOM 210 C4 DT A 7 9.781 -7.836 2.283 1.00 0.53 C ATOM 211 O4 DT A 7 9.884 -9.054 2.231 1.00 0.61 O ATOM 212 C5 DT A 7 9.027 -6.975 3.157 1.00 0.68 C ATOM 213 C7 DT A 7 8.185 -7.495 4.307 1.00 1.03 C ATOM 214 C6 DT A 7 9.015 -5.634 3.047 1.00 0.57 C ATOM 0 H5' DT A 7 6.776 -2.388 2.756 1.00 0.17 H new ATOM 0 H5'' DT A 7 7.229 -1.584 4.245 1.00 0.17 H new ATOM 0 H4' DT A 7 9.201 -0.591 3.145 1.00 0.16 H new ATOM 0 H3' DT A 7 8.150 -0.715 0.685 1.00 0.15 H new ATOM 0 H2' DT A 7 7.722 -3.300 1.148 1.00 0.19 H new ATOM 0 H2'' DT A 7 8.949 -3.205 -0.100 1.00 0.19 H new ATOM 0 H1' DT A 7 10.809 -3.491 1.600 1.00 0.22 H new ATOM 0 H3 DT A 7 11.056 -7.644 0.693 1.00 0.28 H new ATOM 0 H71 DT A 7 8.154 -6.749 5.101 1.00 1.03 H new ATOM 0 H72 DT A 7 7.172 -7.693 3.956 1.00 1.03 H new ATOM 0 H73 DT A 7 8.623 -8.416 4.691 1.00 1.03 H new ATOM 0 H6 DT A 7 8.416 -5.048 3.729 1.00 0.57 H new ATOM 227 P DG A 8 11.014 0.284 1.045 1.00 0.15 P ATOM 228 OP1 DG A 8 12.348 0.091 0.438 1.00 0.21 O ATOM 229 OP2 DG A 8 10.883 0.585 2.481 1.00 0.21 O ATOM 230 O5' DG A 8 10.298 1.447 0.184 1.00 0.20 O ATOM 231 C5' DG A 8 11.074 2.507 -0.409 1.00 0.22 C ATOM 232 C4' DG A 8 11.577 2.108 -1.836 1.00 0.18 C ATOM 233 O4' DG A 8 10.533 2.168 -2.869 1.00 0.24 O ATOM 234 C3' DG A 8 12.813 2.825 -2.470 1.00 0.18 C ATOM 235 O3' DG A 8 13.105 4.109 -1.937 1.00 0.18 O ATOM 236 C2' DG A 8 12.369 2.956 -3.972 1.00 0.28 C ATOM 237 C1' DG A 8 11.031 2.143 -4.238 1.00 0.28 C ATOM 238 N9 DG A 8 10.100 2.741 -5.235 1.00 0.30 N ATOM 239 C8 DG A 8 9.056 3.607 -4.996 1.00 0.31 C ATOM 240 N7 DG A 8 8.435 3.978 -6.074 1.00 0.35 N ATOM 241 C5 DG A 8 9.098 3.323 -7.105 1.00 0.35 C ATOM 242 C6 DG A 8 8.844 3.362 -8.513 1.00 0.39 C ATOM 243 O6 DG A 8 8.006 4.012 -9.142 1.00 0.43 O ATOM 244 N1 DG A 8 9.728 2.563 -9.190 1.00 0.40 N ATOM 245 C2 DG A 8 10.725 1.829 -8.605 1.00 0.40 C ATOM 246 N2 DG A 8 11.502 1.125 -9.400 1.00 0.45 N ATOM 247 N3 DG A 8 10.972 1.790 -7.304 1.00 0.37 N ATOM 248 C4 DG A 8 10.121 2.559 -6.606 1.00 0.33 C ATOM 0 H5' DG A 8 11.927 2.738 0.229 1.00 0.22 H new ATOM 0 H5'' DG A 8 10.470 3.412 -0.473 1.00 0.22 H new ATOM 0 H4' DG A 8 11.899 1.100 -1.574 1.00 0.18 H new ATOM 0 H3' DG A 8 13.730 2.266 -2.285 1.00 0.18 H new ATOM 0 H2' DG A 8 12.217 4.006 -4.221 1.00 0.28 H new ATOM 0 H2'' DG A 8 13.160 2.586 -4.623 1.00 0.28 H new ATOM 0 H1' DG A 8 11.162 1.164 -4.699 1.00 0.28 H new ATOM 0 H8 DG A 8 8.781 3.945 -4.008 1.00 0.31 H new ATOM 0 H1 DG A 8 9.637 2.511 -10.205 1.00 0.40 H new ATOM 0 H21 DG A 8 12.258 0.563 -9.008 1.00 0.45 H new ATOM 0 H22 DG A 8 11.349 1.141 -10.408 1.00 0.45 H new ATOM 260 P DT A 9 14.096 4.345 -0.698 1.00 0.22 P ATOM 261 OP1 DT A 9 13.718 3.432 0.396 1.00 0.28 O ATOM 262 OP2 DT A 9 14.170 5.790 -0.414 1.00 0.36 O ATOM 263 O5' DT A 9 15.624 3.895 -1.184 1.00 0.23 O ATOM 264 C5' DT A 9 16.793 3.898 -0.318 1.00 0.27 C ATOM 265 C4' DT A 9 17.956 2.995 -0.796 1.00 0.22 C ATOM 266 O4' DT A 9 17.511 1.644 -0.917 1.00 0.16 O ATOM 267 C3' DT A 9 18.549 3.332 -2.180 1.00 0.20 C ATOM 268 O3' DT A 9 19.927 2.890 -2.357 1.00 0.18 O ATOM 269 C2' DT A 9 17.526 2.554 -3.003 1.00 0.15 C ATOM 270 C1' DT A 9 17.286 1.206 -2.273 1.00 0.12 C ATOM 271 N1 DT A 9 15.915 0.654 -2.510 1.00 0.12 N ATOM 272 C2 DT A 9 15.039 0.509 -1.411 1.00 0.13 C ATOM 273 O2 DT A 9 15.312 0.700 -0.235 1.00 0.17 O ATOM 274 N3 DT A 9 13.785 0.070 -1.694 1.00 0.13 N ATOM 275 C4 DT A 9 13.301 -0.241 -2.932 1.00 0.13 C ATOM 276 O4 DT A 9 12.143 -0.600 -3.065 1.00 0.15 O ATOM 277 C5 DT A 9 14.239 -0.093 -4.015 1.00 0.11 C ATOM 278 C7 DT A 9 13.816 -0.423 -5.423 1.00 0.13 C ATOM 279 C6 DT A 9 15.486 0.336 -3.791 1.00 0.11 C ATOM 0 H5' DT A 9 16.490 3.579 0.679 1.00 0.27 H new ATOM 0 H5'' DT A 9 17.159 4.921 -0.228 1.00 0.27 H new ATOM 0 H4' DT A 9 18.721 3.158 -0.037 1.00 0.22 H new ATOM 0 H3' DT A 9 18.661 4.389 -2.422 1.00 0.20 H new ATOM 0 H2' DT A 9 16.596 3.115 -3.092 1.00 0.15 H new ATOM 0 H2'' DT A 9 17.894 2.384 -4.015 1.00 0.15 H new ATOM 0 H1' DT A 9 17.913 0.374 -2.595 1.00 0.12 H new ATOM 0 H3 DT A 9 13.145 -0.037 -0.907 1.00 0.13 H new ATOM 0 H71 DT A 9 14.371 0.200 -6.125 1.00 0.13 H new ATOM 0 H72 DT A 9 14.023 -1.473 -5.628 1.00 0.13 H new ATOM 0 H73 DT A 9 12.748 -0.234 -5.536 1.00 0.13 H new ATOM 0 H6 DT A 9 16.170 0.437 -4.621 1.00 0.11 H new ATOM 292 P DG A 10 20.633 1.435 -2.153 1.00 0.15 P ATOM 293 OP1 DG A 10 22.086 1.632 -2.314 1.00 0.20 O ATOM 294 OP2 DG A 10 19.960 0.391 -2.954 1.00 0.20 O ATOM 295 O5' DG A 10 20.415 1.080 -0.596 1.00 0.20 O ATOM 296 C5' DG A 10 20.751 -0.203 -0.044 1.00 0.24 C ATOM 297 C4' DG A 10 19.907 -0.590 1.196 1.00 0.16 C ATOM 298 O4' DG A 10 18.483 -0.474 0.871 1.00 0.16 O ATOM 299 C3' DG A 10 20.213 -2.068 1.559 1.00 0.15 C ATOM 300 O3' DG A 10 20.379 -2.516 2.915 1.00 0.22 O ATOM 301 C2' DG A 10 18.862 -2.622 1.047 1.00 0.15 C ATOM 302 C1' DG A 10 17.759 -1.591 1.365 1.00 0.16 C ATOM 303 N9 DG A 10 16.555 -1.942 0.554 1.00 0.16 N ATOM 304 C8 DG A 10 15.269 -2.282 0.911 1.00 0.18 C ATOM 305 N7 DG A 10 14.507 -2.620 -0.110 1.00 0.18 N ATOM 306 C5 DG A 10 15.366 -2.491 -1.198 1.00 0.15 C ATOM 307 C6 DG A 10 15.153 -2.711 -2.566 1.00 0.15 C ATOM 308 O6 DG A 10 14.143 -3.083 -3.140 1.00 0.18 O ATOM 309 N1 DG A 10 16.274 -2.462 -3.314 1.00 0.14 N ATOM 310 C2 DG A 10 17.473 -2.045 -2.819 1.00 0.12 C ATOM 311 N2 DG A 10 18.468 -1.792 -3.638 1.00 0.14 N ATOM 312 N3 DG A 10 17.691 -1.830 -1.538 1.00 0.12 N ATOM 313 C4 DG A 10 16.598 -2.075 -0.793 1.00 0.14 C ATOM 0 H5' DG A 10 21.806 -0.205 0.231 1.00 0.24 H new ATOM 0 H5'' DG A 10 20.621 -0.965 -0.813 1.00 0.24 H new ATOM 0 H4' DG A 10 20.150 0.069 2.030 1.00 0.16 H new ATOM 0 H3' DG A 10 21.190 -2.357 1.172 1.00 0.15 H new ATOM 0 H2' DG A 10 18.910 -2.806 -0.026 1.00 0.15 H new ATOM 0 H2'' DG A 10 18.638 -3.576 1.525 1.00 0.15 H new ATOM 0 H1' DG A 10 17.372 -1.483 2.378 1.00 0.16 H new ATOM 0 H8 DG A 10 14.918 -2.273 1.932 1.00 0.18 H new ATOM 0 H1 DG A 10 16.205 -2.600 -4.322 1.00 0.14 H new ATOM 0 H21 DG A 10 19.366 -1.480 -3.268 1.00 0.14 H new ATOM 0 H22 DG A 10 18.343 -1.908 -4.644 1.00 0.14 H new ATOM 325 P DG A 11 20.708 -4.103 3.159 1.00 0.21 P ATOM 326 OP1 DG A 11 21.211 -4.292 4.543 1.00 0.31 O ATOM 327 OP2 DG A 11 21.516 -4.557 2.017 1.00 0.25 O ATOM 328 O5' DG A 11 19.280 -4.826 3.060 1.00 0.23 O ATOM 329 C5' DG A 11 18.155 -4.431 3.845 1.00 0.23 C ATOM 330 C4' DG A 11 16.877 -4.984 3.237 1.00 0.21 C ATOM 331 O4' DG A 11 16.808 -4.590 1.837 1.00 0.25 O ATOM 332 C3' DG A 11 16.875 -6.521 3.264 1.00 0.24 C ATOM 333 O3' DG A 11 15.757 -7.140 3.890 1.00 0.24 O ATOM 334 C2' DG A 11 16.897 -6.810 1.787 1.00 0.28 C ATOM 335 C1' DG A 11 16.227 -5.652 1.087 1.00 0.20 C ATOM 336 N9 DG A 11 16.411 -5.612 -0.382 1.00 0.16 N ATOM 337 C8 DG A 11 17.551 -5.502 -1.173 1.00 0.16 C ATOM 338 N7 DG A 11 17.338 -5.522 -2.456 1.00 0.14 N ATOM 339 C5 DG A 11 15.949 -5.649 -2.522 1.00 0.11 C ATOM 340 C6 DG A 11 15.095 -5.724 -3.641 1.00 0.12 C ATOM 341 O6 DG A 11 15.400 -5.700 -4.812 1.00 0.18 O ATOM 342 N1 DG A 11 13.776 -5.842 -3.289 1.00 0.13 N ATOM 343 C2 DG A 11 13.309 -5.886 -2.016 1.00 0.15 C ATOM 344 N2 DG A 11 12.014 -5.959 -1.879 1.00 0.20 N ATOM 345 N3 DG A 11 14.097 -5.821 -0.955 1.00 0.15 N ATOM 346 C4 DG A 11 15.396 -5.701 -1.271 1.00 0.12 C ATOM 0 H5' DG A 11 18.102 -3.344 3.897 1.00 0.23 H new ATOM 0 H5'' DG A 11 18.268 -4.794 4.866 1.00 0.23 H new ATOM 0 H4' DG A 11 16.037 -4.597 3.814 1.00 0.21 H new ATOM 0 H3' DG A 11 17.696 -6.919 3.860 1.00 0.24 H new ATOM 0 H2' DG A 11 17.922 -6.930 1.435 1.00 0.28 H new ATOM 0 H2'' DG A 11 16.375 -7.742 1.571 1.00 0.28 H new ATOM 0 H1' DG A 11 15.137 -5.659 1.089 1.00 0.20 H new ATOM 0 H8 DG A 11 18.541 -5.407 -0.752 1.00 0.16 H new ATOM 0 H1 DG A 11 13.092 -5.901 -4.043 1.00 0.13 H new ATOM 0 H21 DG A 11 11.601 -5.995 -0.947 1.00 0.20 H new ATOM 0 H22 DG A 11 11.414 -5.980 -2.704 1.00 0.20 H new ATOM 358 P DT A 12 15.995 -8.145 5.128 1.00 0.25 P ATOM 359 OP1 DT A 12 14.886 -9.110 5.138 1.00 0.36 O ATOM 360 OP2 DT A 12 16.259 -7.342 6.333 1.00 0.32 O ATOM 361 O5' DT A 12 17.356 -8.952 4.764 1.00 0.21 O ATOM 362 C5' DT A 12 17.433 -10.071 3.860 1.00 0.27 C ATOM 363 C4' DT A 12 18.829 -10.438 3.388 1.00 0.29 C ATOM 364 O4' DT A 12 19.767 -10.787 4.443 1.00 0.38 O ATOM 365 C3' DT A 12 19.507 -9.323 2.557 1.00 0.23 C ATOM 366 O3' DT A 12 19.174 -9.513 1.183 1.00 0.29 O ATOM 367 C2' DT A 12 20.975 -9.628 2.810 1.00 0.36 C ATOM 368 C1' DT A 12 20.895 -9.913 4.350 1.00 0.35 C ATOM 369 N1 DT A 12 20.517 -8.694 5.160 1.00 0.25 N ATOM 370 C2 DT A 12 20.953 -7.449 4.762 1.00 0.28 C ATOM 371 O2 DT A 12 21.617 -7.237 3.772 1.00 0.38 O ATOM 372 N3 DT A 12 20.607 -6.379 5.540 1.00 0.28 N ATOM 373 C4 DT A 12 19.869 -6.418 6.685 1.00 0.26 C ATOM 374 O4 DT A 12 19.664 -5.354 7.257 1.00 0.35 O ATOM 375 C5 DT A 12 19.437 -7.764 7.054 1.00 0.20 C ATOM 376 C7 DT A 12 18.599 -8.085 8.302 1.00 0.29 C ATOM 377 C6 DT A 12 19.758 -8.816 6.314 1.00 0.19 C ATOM 0 H5' DT A 12 16.819 -9.852 2.986 1.00 0.27 H new ATOM 0 H5'' DT A 12 16.994 -10.941 4.348 1.00 0.27 H new ATOM 0 H4' DT A 12 18.629 -11.319 2.779 1.00 0.29 H new ATOM 0 H3' DT A 12 19.222 -8.301 2.809 1.00 0.23 H new ATOM 0 H2' DT A 12 21.333 -10.485 2.240 1.00 0.36 H new ATOM 0 H2'' DT A 12 21.628 -8.790 2.569 1.00 0.36 H new ATOM 0 H1' DT A 12 21.853 -10.279 4.720 1.00 0.35 H new ATOM 0 H3 DT A 12 20.933 -5.462 5.233 1.00 0.28 H new ATOM 0 H71 DT A 12 17.980 -8.961 8.109 1.00 0.29 H new ATOM 0 H72 DT A 12 19.262 -8.288 9.143 1.00 0.29 H new ATOM 0 H73 DT A 12 17.960 -7.234 8.540 1.00 0.29 H new ATOM 0 H6 DT A 12 19.419 -9.795 6.618 1.00 0.19 H new ATOM 390 P DT A 13 19.297 -8.336 0.061 1.00 0.21 P ATOM 391 OP1 DT A 13 19.670 -7.086 0.761 1.00 0.23 O ATOM 392 OP2 DT A 13 18.108 -8.376 -0.823 1.00 0.27 O ATOM 393 O5' DT A 13 20.585 -8.761 -0.810 1.00 0.31 O ATOM 394 C5' DT A 13 20.835 -10.088 -1.309 1.00 0.32 C ATOM 395 C4' DT A 13 20.027 -10.475 -2.555 1.00 0.21 C ATOM 396 O4' DT A 13 18.587 -10.584 -2.390 1.00 0.23 O ATOM 397 C3' DT A 13 20.255 -9.521 -3.729 1.00 0.20 C ATOM 398 O3' DT A 13 20.602 -10.266 -4.900 1.00 0.25 O ATOM 399 C2' DT A 13 18.817 -8.975 -3.860 1.00 0.22 C ATOM 400 C1' DT A 13 17.893 -10.148 -3.573 1.00 0.19 C ATOM 401 N1 DT A 13 16.465 -9.756 -3.378 1.00 0.23 N ATOM 402 C2 DT A 13 15.714 -9.538 -4.508 1.00 0.25 C ATOM 403 O2 DT A 13 16.118 -9.630 -5.652 1.00 0.31 O ATOM 404 N3 DT A 13 14.408 -9.199 -4.300 1.00 0.28 N ATOM 405 C4 DT A 13 13.788 -9.055 -3.072 1.00 0.27 C ATOM 406 O4 DT A 13 12.604 -8.750 -3.076 1.00 0.28 O ATOM 407 C5 DT A 13 14.638 -9.295 -1.951 1.00 0.26 C ATOM 408 C7 DT A 13 14.083 -9.158 -0.512 1.00 0.29 C ATOM 409 C6 DT A 13 15.920 -9.633 -2.106 1.00 0.26 C ATOM 0 H5' DT A 13 20.618 -10.805 -0.517 1.00 0.32 H new ATOM 0 H5'' DT A 13 21.896 -10.179 -1.540 1.00 0.32 H new ATOM 0 H4' DT A 13 20.420 -11.473 -2.752 1.00 0.21 H new ATOM 0 H3' DT A 13 21.042 -8.778 -3.601 1.00 0.20 H new ATOM 0 H2' DT A 13 18.644 -8.161 -3.156 1.00 0.22 H new ATOM 0 H2'' DT A 13 18.641 -8.576 -4.859 1.00 0.22 H new ATOM 0 H1' DT A 13 17.756 -10.896 -4.354 1.00 0.19 H new ATOM 0 H3 DT A 13 13.835 -9.037 -5.128 1.00 0.28 H new ATOM 0 H71 DT A 13 13.289 -8.411 -0.498 1.00 0.29 H new ATOM 0 H72 DT A 13 13.685 -10.118 -0.183 1.00 0.29 H new ATOM 0 H73 DT A 13 14.884 -8.848 0.159 1.00 0.29 H new ATOM 0 H6 DT A 13 16.537 -9.812 -1.238 1.00 0.26 H new ATOM 422 P DG A 14 22.102 -10.640 -5.301 1.00 0.27 P ATOM 423 OP1 DG A 14 22.106 -11.980 -5.902 1.00 0.41 O ATOM 424 OP2 DG A 14 22.967 -10.367 -4.148 1.00 0.36 O ATOM 425 O5' DG A 14 22.469 -9.564 -6.437 1.00 0.23 O ATOM 426 C5' DG A 14 23.366 -9.839 -7.528 1.00 0.22 C ATOM 427 C4' DG A 14 23.423 -8.707 -8.543 1.00 0.14 C ATOM 428 O4' DG A 14 22.102 -8.345 -9.049 1.00 0.17 O ATOM 429 C3' DG A 14 24.032 -7.465 -7.880 1.00 0.13 C ATOM 430 O3' DG A 14 24.636 -6.638 -8.869 1.00 0.16 O ATOM 431 C2' DG A 14 22.636 -6.801 -7.494 1.00 0.14 C ATOM 432 C1' DG A 14 21.833 -6.948 -8.786 1.00 0.14 C ATOM 433 N9 DG A 14 20.387 -6.637 -8.727 1.00 0.13 N ATOM 434 C8 DG A 14 19.437 -6.577 -9.729 1.00 0.15 C ATOM 435 N7 DG A 14 18.241 -6.294 -9.299 1.00 0.17 N ATOM 436 C5 DG A 14 18.405 -6.160 -7.937 1.00 0.13 C ATOM 437 C6 DG A 14 17.454 -5.856 -6.958 1.00 0.14 C ATOM 438 O6 DG A 14 16.260 -5.688 -7.139 1.00 0.21 O ATOM 439 N1 DG A 14 17.984 -5.806 -5.698 1.00 0.13 N ATOM 440 C2 DG A 14 19.298 -6.024 -5.398 1.00 0.13 C ATOM 441 N2 DG A 14 19.608 -5.975 -4.121 1.00 0.16 N ATOM 442 N3 DG A 14 20.212 -6.307 -6.312 1.00 0.12 N ATOM 443 C4 DG A 14 19.693 -6.362 -7.567 1.00 0.12 C ATOM 0 H5' DG A 14 23.052 -10.755 -8.029 1.00 0.22 H new ATOM 0 H5'' DG A 14 24.366 -10.018 -7.134 1.00 0.22 H new ATOM 0 H4' DG A 14 24.029 -9.055 -9.380 1.00 0.14 H new ATOM 0 H3' DG A 14 24.778 -7.630 -7.103 1.00 0.13 H new ATOM 0 H2' DG A 14 22.159 -7.314 -6.659 1.00 0.14 H new ATOM 0 H2'' DG A 14 22.750 -5.757 -7.203 1.00 0.14 H new ATOM 0 H1' DG A 14 22.122 -6.229 -9.553 1.00 0.14 H new ATOM 0 H8 DG A 14 19.665 -6.749 -10.771 1.00 0.15 H new ATOM 0 H1 DG A 14 17.352 -5.590 -4.927 1.00 0.13 H new ATOM 0 H21 DG A 14 20.572 -6.128 -3.824 1.00 0.16 H new ATOM 0 H22 DG A 14 18.885 -5.784 -3.428 1.00 0.16 H new ATOM 455 P DG A 15 25.363 -5.239 -8.542 1.00 0.18 P ATOM 456 OP1 DG A 15 26.595 -5.172 -9.343 1.00 0.28 O ATOM 457 OP2 DG A 15 25.423 -5.047 -7.089 1.00 0.29 O ATOM 458 O5' DG A 15 24.296 -4.223 -9.162 1.00 0.23 O ATOM 459 C5' DG A 15 23.904 -4.304 -10.543 1.00 0.23 C ATOM 460 C4' DG A 15 22.713 -3.460 -10.918 1.00 0.23 C ATOM 461 O4' DG A 15 21.592 -3.734 -10.017 1.00 0.21 O ATOM 462 C3' DG A 15 23.020 -1.940 -10.753 1.00 0.29 C ATOM 463 O3' DG A 15 22.077 -1.143 -11.496 1.00 0.40 O ATOM 464 C2' DG A 15 22.651 -1.841 -9.253 1.00 0.25 C ATOM 465 C1' DG A 15 21.296 -2.577 -9.192 1.00 0.22 C ATOM 466 N9 DG A 15 20.414 -2.743 -8.008 1.00 0.18 N ATOM 467 C8 DG A 15 20.601 -2.981 -6.647 1.00 0.19 C ATOM 468 N7 DG A 15 19.501 -3.062 -5.991 1.00 0.23 N ATOM 469 C5 DG A 15 18.511 -2.868 -6.929 1.00 0.20 C ATOM 470 C6 DG A 15 17.091 -2.857 -6.779 1.00 0.21 C ATOM 471 O6 DG A 15 16.418 -3.029 -5.766 1.00 0.25 O ATOM 472 N1 DG A 15 16.463 -2.632 -7.983 1.00 0.19 N ATOM 473 C2 DG A 15 17.090 -2.454 -9.171 1.00 0.20 C ATOM 474 N2 DG A 15 16.357 -2.325 -10.251 1.00 0.24 N ATOM 475 N3 DG A 15 18.405 -2.464 -9.313 1.00 0.21 N ATOM 476 C4 DG A 15 19.058 -2.678 -8.158 1.00 0.18 C ATOM 0 H5' DG A 15 23.683 -5.344 -10.782 1.00 0.23 H new ATOM 0 H5'' DG A 15 24.750 -4.008 -11.163 1.00 0.23 H new ATOM 0 H4' DG A 15 22.477 -3.703 -11.954 1.00 0.23 H new ATOM 0 H3' DG A 15 24.011 -1.615 -11.069 1.00 0.29 H new ATOM 0 H2' DG A 15 23.400 -2.316 -8.619 1.00 0.25 H new ATOM 0 H2'' DG A 15 22.565 -0.805 -8.924 1.00 0.25 H new ATOM 0 HO3' DG A 15 22.287 -0.193 -11.377 1.00 0.40 H new ATOM 0 H1' DG A 15 20.512 -1.883 -9.496 1.00 0.22 H new ATOM 0 H8 DG A 15 21.574 -3.087 -6.191 1.00 0.19 H new ATOM 0 H1 DG A 15 15.444 -2.596 -7.981 1.00 0.19 H new ATOM 0 H21 DG A 15 16.804 -2.190 -11.158 1.00 0.24 H new ATOM 0 H22 DG A 15 15.340 -2.360 -10.184 1.00 0.24 H new TER 489 DG A 15