USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 127 hydrogens (12 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 DT C7 :methyl -30:sc=-0.00016 (180deg=-0.00379) USER MOD Single : A 1 DT O5' : rot -36:sc= -33.8! USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.856 (180deg=-0.856) USER MOD Single : A 10 DT C7 :methyl -30:sc= -1.03 (180deg=-3.12!) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.043 11.612 -3.208 1.00 2.03 O ATOM 2 C5' DT A 1 -7.432 11.428 -3.229 1.00 1.16 C ATOM 3 C4' DT A 1 -6.563 10.504 -4.015 1.00 0.98 C ATOM 4 O4' DT A 1 -5.278 10.442 -3.386 1.00 0.86 O ATOM 5 C3' DT A 1 -7.053 9.077 -4.098 1.00 0.98 C ATOM 6 O3' DT A 1 -7.078 8.656 -5.451 1.00 0.98 O ATOM 7 C2' DT A 1 -6.043 8.282 -3.306 1.00 0.87 C ATOM 8 C1' DT A 1 -4.819 9.124 -3.405 1.00 0.75 C ATOM 9 N1 DT A 1 -3.865 8.953 -2.307 1.00 0.69 N ATOM 10 C2 DT A 1 -2.584 8.598 -2.619 1.00 0.58 C ATOM 11 O2 DT A 1 -2.203 8.419 -3.754 1.00 0.53 O ATOM 12 N3 DT A 1 -1.759 8.460 -1.548 1.00 0.60 N ATOM 13 C4 DT A 1 -2.077 8.634 -0.229 1.00 0.71 C ATOM 14 O4 DT A 1 -1.227 8.467 0.627 1.00 0.77 O ATOM 15 C5 DT A 1 -3.437 9.007 0.029 1.00 0.80 C ATOM 16 C7 DT A 1 -3.870 9.227 1.435 1.00 0.94 C ATOM 17 C6 DT A 1 -4.258 9.148 -1.009 1.00 0.79 C ATOM 0 H5' DT A 1 -7.261 11.088 -2.208 1.00 1.16 H new ATOM 0 H5'' DT A 1 -6.911 12.379 -3.339 1.00 1.16 H new ATOM 0 H4' DT A 1 -6.553 10.913 -5.025 1.00 0.98 H new ATOM 0 H3' DT A 1 -8.064 8.952 -3.709 1.00 0.98 H new ATOM 0 H2' DT A 1 -6.357 8.143 -2.272 1.00 0.87 H new ATOM 0 H2'' DT A 1 -5.887 7.289 -3.728 1.00 0.87 H new ATOM 0 HO5' DT A 1 -8.404 11.651 -4.118 1.00 2.03 H new ATOM 0 H1' DT A 1 -4.276 8.839 -4.306 1.00 0.75 H new ATOM 0 H3 DT A 1 -0.794 8.197 -1.750 1.00 0.60 H new ATOM 0 H71 DT A 1 -3.283 8.593 2.100 1.00 0.94 H new ATOM 0 H72 DT A 1 -3.718 10.273 1.703 1.00 0.94 H new ATOM 0 H73 DT A 1 -4.926 8.977 1.534 1.00 0.94 H new ATOM 0 H6 DT A 1 -5.283 9.430 -0.819 1.00 0.79 H new ATOM 31 P DA A 2 -7.640 7.228 -5.816 1.00 1.08 P ATOM 32 OP1 DA A 2 -8.444 7.381 -6.998 1.00 1.34 O ATOM 33 OP2 DA A 2 -8.204 6.632 -4.625 1.00 1.22 O ATOM 34 O5' DA A 2 -6.399 6.394 -6.183 1.00 0.84 O ATOM 35 C5' DA A 2 -5.482 6.884 -7.096 1.00 0.81 C ATOM 36 C4' DA A 2 -4.287 6.005 -7.169 1.00 0.70 C ATOM 37 O4' DA A 2 -3.502 6.206 -5.985 1.00 0.59 O ATOM 38 C3' DA A 2 -4.583 4.516 -7.252 1.00 0.69 C ATOM 39 O3' DA A 2 -3.739 3.902 -8.214 1.00 0.76 O ATOM 40 C2' DA A 2 -4.266 4.017 -5.864 1.00 0.62 C ATOM 41 C1' DA A 2 -3.185 4.962 -5.408 1.00 0.56 C ATOM 42 N9 DA A 2 -3.099 5.144 -3.965 1.00 0.47 N ATOM 43 C8 DA A 2 -4.107 5.461 -3.095 1.00 0.49 C ATOM 44 N7 DA A 2 -3.721 5.563 -1.852 1.00 0.42 N ATOM 45 C5 DA A 2 -2.366 5.292 -1.907 1.00 0.35 C ATOM 46 C6 DA A 2 -1.379 5.239 -0.920 1.00 0.30 C ATOM 47 N6 DA A 2 -1.611 5.467 0.371 1.00 0.32 N ATOM 48 N1 DA A 2 -0.124 4.941 -1.306 1.00 0.31 N ATOM 49 C2 DA A 2 0.110 4.712 -2.601 1.00 0.33 C ATOM 50 N3 DA A 2 -0.734 4.732 -3.621 1.00 0.36 N ATOM 51 C4 DA A 2 -1.970 5.032 -3.202 1.00 0.38 C ATOM 0 H5' DA A 2 -5.181 7.892 -6.810 1.00 0.81 H new ATOM 0 H5'' DA A 2 -5.946 6.957 -8.080 1.00 0.81 H new ATOM 0 H4' DA A 2 -3.778 6.284 -8.092 1.00 0.70 H new ATOM 0 H3' DA A 2 -5.606 4.295 -7.556 1.00 0.69 H new ATOM 0 H2' DA A 2 -5.138 4.055 -5.211 1.00 0.62 H new ATOM 0 H2'' DA A 2 -3.921 2.983 -5.875 1.00 0.62 H new ATOM 0 H1' DA A 2 -2.223 4.547 -5.710 1.00 0.56 H new ATOM 0 H8 DA A 2 -5.129 5.613 -3.408 1.00 0.49 H new ATOM 0 H61 DA A 2 -0.846 5.413 1.044 1.00 0.32 H new ATOM 0 H62 DA A 2 -2.553 5.696 0.687 1.00 0.32 H new ATOM 0 H2 DA A 2 1.134 4.477 -2.852 1.00 0.33 H new ATOM 63 P DT A 3 -3.977 2.384 -8.642 1.00 0.79 P ATOM 64 OP1 DT A 3 -3.872 2.312 -10.092 1.00 0.94 O ATOM 65 OP2 DT A 3 -5.189 1.905 -7.985 1.00 0.86 O ATOM 66 O5' DT A 3 -2.765 1.600 -8.024 1.00 0.71 O ATOM 67 C5' DT A 3 -1.441 1.895 -8.392 1.00 0.69 C ATOM 68 C4' DT A 3 -0.478 1.184 -7.494 1.00 0.56 C ATOM 69 O4' DT A 3 -0.604 1.728 -6.164 1.00 0.52 O ATOM 70 C3' DT A 3 -0.703 -0.310 -7.369 1.00 0.53 C ATOM 71 O3' DT A 3 0.487 -1.020 -7.666 1.00 0.55 O ATOM 72 C2' DT A 3 -1.088 -0.504 -5.923 1.00 0.51 C ATOM 73 C1' DT A 3 -0.510 0.695 -5.236 1.00 0.44 C ATOM 74 N1 DT A 3 -1.208 1.115 -4.011 1.00 0.43 N ATOM 75 C2 DT A 3 -0.479 1.248 -2.858 1.00 0.41 C ATOM 76 O2 DT A 3 0.714 1.039 -2.803 1.00 0.43 O ATOM 77 N3 DT A 3 -1.200 1.637 -1.767 1.00 0.43 N ATOM 78 C4 DT A 3 -2.543 1.901 -1.709 1.00 0.47 C ATOM 79 O4 DT A 3 -3.051 2.242 -0.648 1.00 0.50 O ATOM 80 C5 DT A 3 -3.249 1.742 -2.952 1.00 0.51 C ATOM 81 C7 DT A 3 -4.716 1.993 -2.981 1.00 0.62 C ATOM 82 C6 DT A 3 -2.556 1.363 -4.032 1.00 0.49 C ATOM 0 H5' DT A 3 -1.273 2.971 -8.337 1.00 0.69 H new ATOM 0 H5'' DT A 3 -1.270 1.598 -9.427 1.00 0.69 H new ATOM 0 H4' DT A 3 0.503 1.333 -7.945 1.00 0.56 H new ATOM 0 H3' DT A 3 -1.462 -0.679 -8.059 1.00 0.53 H new ATOM 0 H2' DT A 3 -2.170 -0.553 -5.800 1.00 0.51 H new ATOM 0 H2'' DT A 3 -0.679 -1.431 -5.521 1.00 0.51 H new ATOM 0 H1' DT A 3 0.502 0.447 -4.917 1.00 0.44 H new ATOM 0 H3 DT A 3 -0.680 1.743 -0.896 1.00 0.43 H new ATOM 0 H71 DT A 3 -5.004 2.353 -3.969 1.00 0.62 H new ATOM 0 H72 DT A 3 -5.248 1.067 -2.763 1.00 0.62 H new ATOM 0 H73 DT A 3 -4.972 2.743 -2.232 1.00 0.62 H new ATOM 0 H6 DT A 3 -3.085 1.247 -4.966 1.00 0.49 H new ATOM 95 P DC A 4 0.477 -2.588 -7.797 1.00 0.64 P ATOM 96 OP1 DC A 4 1.453 -3.012 -8.759 1.00 0.76 O ATOM 97 OP2 DC A 4 -0.850 -2.980 -7.969 1.00 0.95 O ATOM 98 O5' DC A 4 0.916 -3.069 -6.444 1.00 0.79 O ATOM 99 C5' DC A 4 2.208 -3.145 -6.159 1.00 1.07 C ATOM 100 C4' DC A 4 2.632 -3.840 -4.967 1.00 0.82 C ATOM 101 O4' DC A 4 2.058 -3.158 -3.844 1.00 0.82 O ATOM 102 C3' DC A 4 2.205 -5.242 -4.876 1.00 0.59 C ATOM 103 O3' DC A 4 3.214 -6.027 -4.320 1.00 0.64 O ATOM 104 C2' DC A 4 0.997 -5.147 -3.988 1.00 0.55 C ATOM 105 C1' DC A 4 1.301 -4.014 -3.094 1.00 0.63 C ATOM 106 N1 DC A 4 0.143 -3.274 -2.573 1.00 0.60 N ATOM 107 C2 DC A 4 0.091 -2.976 -1.214 1.00 0.60 C ATOM 108 O2 DC A 4 1.016 -3.349 -0.486 1.00 0.64 O ATOM 109 N3 DC A 4 -0.965 -2.292 -0.727 1.00 0.59 N ATOM 110 C4 DC A 4 -1.943 -1.911 -1.541 1.00 0.58 C ATOM 111 N4 DC A 4 -2.961 -1.237 -1.017 1.00 0.59 N ATOM 112 C5 DC A 4 -1.917 -2.205 -2.929 1.00 0.60 C ATOM 113 C6 DC A 4 -0.865 -2.881 -3.398 1.00 0.61 C ATOM 0 H5' DC A 4 2.589 -2.126 -6.096 1.00 1.07 H new ATOM 0 H5'' DC A 4 2.702 -3.619 -7.007 1.00 1.07 H new ATOM 0 H4' DC A 4 3.722 -3.843 -4.989 1.00 0.82 H new ATOM 0 H3' DC A 4 1.987 -5.712 -5.835 1.00 0.59 H new ATOM 0 H2' DC A 4 0.090 -4.968 -4.565 1.00 0.55 H new ATOM 0 H2'' DC A 4 0.841 -6.068 -3.426 1.00 0.55 H new ATOM 0 H1' DC A 4 1.789 -4.415 -2.206 1.00 0.63 H new ATOM 0 H41 DC A 4 -3.729 -0.929 -1.613 1.00 0.59 H new ATOM 0 H42 DC A 4 -2.974 -1.028 -0.019 1.00 0.59 H new ATOM 0 H5 DC A 4 -2.719 -1.893 -3.582 1.00 0.60 H new ATOM 0 H6 DC A 4 -0.814 -3.120 -4.450 1.00 0.61 H new ATOM 125 P DA A 5 3.199 -7.575 -4.486 1.00 0.70 P ATOM 126 OP1 DA A 5 4.502 -7.935 -4.836 1.00 1.08 O ATOM 127 OP2 DA A 5 2.128 -7.953 -5.324 1.00 0.82 O ATOM 128 O5' DA A 5 2.900 -8.135 -3.089 1.00 0.66 O ATOM 129 C5' DA A 5 3.372 -7.523 -1.902 1.00 0.64 C ATOM 130 C4' DA A 5 2.436 -7.779 -0.763 1.00 0.59 C ATOM 131 O4' DA A 5 1.252 -6.998 -0.958 1.00 0.54 O ATOM 132 C3' DA A 5 1.974 -9.218 -0.631 1.00 0.65 C ATOM 133 O3' DA A 5 1.957 -9.600 0.739 1.00 0.68 O ATOM 134 C2' DA A 5 0.588 -9.199 -1.207 1.00 0.59 C ATOM 135 C1' DA A 5 0.120 -7.812 -0.877 1.00 0.49 C ATOM 136 N9 DA A 5 -0.880 -7.270 -1.779 1.00 0.50 N ATOM 137 C8 DA A 5 -1.063 -7.536 -3.105 1.00 0.61 C ATOM 138 N7 DA A 5 -2.051 -6.888 -3.646 1.00 0.65 N ATOM 139 C5 DA A 5 -2.552 -6.144 -2.607 1.00 0.59 C ATOM 140 C6 DA A 5 -3.608 -5.245 -2.532 1.00 0.69 C ATOM 141 N6 DA A 5 -4.382 -4.928 -3.560 1.00 0.82 N ATOM 142 N1 DA A 5 -3.845 -4.673 -1.346 1.00 0.72 N ATOM 143 C2 DA A 5 -3.067 -4.990 -0.312 1.00 0.62 C ATOM 144 N3 DA A 5 -2.047 -5.819 -0.259 1.00 0.48 N ATOM 145 C4 DA A 5 -1.840 -6.369 -1.453 1.00 0.49 C ATOM 0 H5' DA A 5 3.477 -6.449 -2.058 1.00 0.64 H new ATOM 0 H5'' DA A 5 4.362 -7.908 -1.658 1.00 0.64 H new ATOM 0 H4' DA A 5 2.997 -7.522 0.135 1.00 0.59 H new ATOM 0 H3' DA A 5 2.624 -9.931 -1.138 1.00 0.65 H new ATOM 0 H2' DA A 5 0.592 -9.381 -2.282 1.00 0.59 H new ATOM 0 H2'' DA A 5 -0.049 -9.960 -0.757 1.00 0.59 H new ATOM 0 H1' DA A 5 -0.353 -7.847 0.104 1.00 0.49 H new ATOM 0 H8 DA A 5 -0.441 -8.225 -3.657 1.00 0.61 H new ATOM 0 H61 DA A 5 -5.143 -4.259 -3.439 1.00 0.82 H new ATOM 0 H62 DA A 5 -4.217 -5.353 -4.473 1.00 0.82 H new ATOM 0 H2 DA A 5 -3.309 -4.495 0.617 1.00 0.62 H new HETATM 157 P 0DT A 6 1.520 -11.070 1.159 1.00 0.75 P HETATM 158 OP1 0DT A 6 2.345 -11.468 2.281 1.00 0.88 O HETATM 159 OP2 0DT A 6 1.473 -11.907 -0.041 1.00 0.87 O HETATM 160 O5' 0DT A 6 0.063 -10.895 1.669 1.00 0.70 O HETATM 161 C5' 0DT A 6 -0.329 -9.792 2.465 1.00 0.55 C HETATM 162 C4' 0DT A 6 -0.930 -10.263 3.736 1.00 0.65 C HETATM 163 O4' 0DT A 6 -1.396 -11.596 3.540 1.00 0.83 O HETATM 164 C3' 0DT A 6 -2.112 -9.491 4.219 1.00 0.61 C HETATM 165 O3' 0DT A 6 -2.227 -9.580 5.624 1.00 0.78 O HETATM 166 C2' 0DT A 6 -3.249 -10.184 3.531 1.00 0.74 C HETATM 167 C1' 0DT A 6 -2.774 -11.602 3.355 1.00 0.87 C HETATM 168 N1 0DT A 6 -3.048 -12.183 2.037 1.00 0.90 N HETATM 169 C2 0DT A 6 -3.890 -13.240 1.965 1.00 1.12 C HETATM 170 O2 0DT A 6 -4.411 -13.722 2.936 1.00 1.28 O HETATM 171 N3 0DT A 6 -4.103 -13.715 0.709 1.00 1.17 N HETATM 172 C4 0DT A 6 -3.573 -13.253 -0.456 1.00 1.05 C HETATM 173 O4 0DT A 6 -3.865 -13.782 -1.513 1.00 1.14 O HETATM 174 C5 0DT A 6 -2.695 -12.143 -0.312 1.00 0.83 C HETATM 175 C5M 0DT A 6 -2.098 -11.553 -1.528 1.00 0.75 C HETATM 176 C6 0DT A 6 -2.471 -11.669 0.911 1.00 0.76 C HETATM 0 H5'' 0DT A 6 0.535 -9.161 2.675 1.00 0.55 H new HETATM 0 H2'' 0DT A 6 -4.160 -10.142 4.128 1.00 0.74 H new HETATM 0 H73 0DT A 6 -1.508 -12.308 -2.047 1.00 0.75 H new HETATM 0 H72 0DT A 6 -2.890 -11.197 -2.186 1.00 0.75 H new HETATM 0 H71 0DT A 6 -1.455 -10.718 -1.249 1.00 0.75 H new HETATM 0 H6 0DT A 6 -1.790 -10.825 1.020 1.00 0.76 H new HETATM 0 H5' 0DT A 6 -1.047 -9.179 1.921 1.00 0.55 H new HETATM 0 H4' 0DT A 6 -0.140 -10.152 4.479 1.00 0.65 H new HETATM 0 H3' 0DT A 6 -2.063 -8.424 4.002 1.00 0.61 H new HETATM 0 H3 0DT A 6 -4.735 -14.512 0.631 1.00 1.17 H new HETATM 0 H2' 0DT A 6 -3.475 -9.719 2.571 1.00 0.74 H new HETATM 0 H1' 0DT A 6 -3.317 -12.213 4.076 1.00 0.87 H new ATOM 189 P DC A 7 -3.159 -8.570 6.409 1.00 0.91 P ATOM 190 OP1 DC A 7 -3.821 -9.336 7.457 1.00 1.18 O ATOM 191 OP2 DC A 7 -3.955 -7.836 5.438 1.00 0.89 O ATOM 192 O5' DC A 7 -2.168 -7.549 7.087 1.00 0.86 O ATOM 193 C5' DC A 7 -1.891 -7.602 8.445 1.00 1.13 C ATOM 194 C4' DC A 7 -1.280 -6.366 8.966 1.00 0.89 C ATOM 195 O4' DC A 7 -0.135 -6.092 8.206 1.00 0.79 O ATOM 196 C3' DC A 7 -2.110 -5.161 8.855 1.00 0.76 C ATOM 197 O3' DC A 7 -1.804 -4.245 9.890 1.00 0.76 O ATOM 198 C2' DC A 7 -1.728 -4.645 7.515 1.00 0.55 C ATOM 199 C1' DC A 7 -0.314 -5.010 7.394 1.00 0.48 C ATOM 200 N1 DC A 7 0.135 -5.372 6.053 1.00 0.45 N ATOM 201 C2 DC A 7 1.446 -5.299 5.783 1.00 0.70 C ATOM 202 O2 DC A 7 2.184 -4.914 6.671 1.00 0.90 O ATOM 203 N3 DC A 7 1.875 -5.649 4.564 1.00 0.82 N ATOM 204 C4 DC A 7 1.053 -6.059 3.634 1.00 0.64 C ATOM 205 N4 DC A 7 1.522 -6.397 2.449 1.00 0.79 N ATOM 206 C5 DC A 7 -0.286 -6.140 3.877 1.00 0.43 C ATOM 207 C6 DC A 7 -0.702 -5.783 5.088 1.00 0.42 C ATOM 0 H5' DC A 7 -1.221 -8.440 8.639 1.00 1.13 H new ATOM 0 H5'' DC A 7 -2.814 -7.800 8.989 1.00 1.13 H new ATOM 0 H4' DC A 7 -1.102 -6.560 10.024 1.00 0.89 H new ATOM 0 H3' DC A 7 -3.181 -5.339 8.953 1.00 0.76 H new ATOM 0 H2' DC A 7 -2.328 -5.098 6.725 1.00 0.55 H new ATOM 0 H2'' DC A 7 -1.871 -3.567 7.445 1.00 0.55 H new ATOM 0 H1' DC A 7 0.271 -4.130 7.662 1.00 0.48 H new ATOM 0 H41 DC A 7 0.884 -6.717 1.720 1.00 0.79 H new ATOM 0 H42 DC A 7 2.523 -6.338 2.261 1.00 0.79 H new ATOM 0 H5 DC A 7 -0.978 -6.479 3.120 1.00 0.43 H new ATOM 0 H6 DC A 7 -1.759 -5.826 5.305 1.00 0.42 H new ATOM 219 P DG A 8 -2.796 -3.124 10.285 1.00 0.95 P ATOM 220 OP1 DG A 8 -2.703 -2.737 11.579 1.00 1.16 O ATOM 221 OP2 DG A 8 -3.924 -3.513 9.845 1.00 1.53 O ATOM 222 O5' DG A 8 -2.421 -2.025 9.553 1.00 0.92 O ATOM 223 C5' DG A 8 -1.460 -1.368 9.808 1.00 1.04 C ATOM 224 C4' DG A 8 -0.175 -1.468 9.136 1.00 0.77 C ATOM 225 O4' DG A 8 -0.391 -2.003 7.826 1.00 0.63 O ATOM 226 C3' DG A 8 0.548 -0.164 8.979 1.00 0.62 C ATOM 227 O3' DG A 8 1.935 -0.345 9.131 1.00 0.65 O ATOM 228 C2' DG A 8 0.203 0.237 7.566 1.00 0.60 C ATOM 229 C1' DG A 8 0.033 -1.078 6.851 1.00 0.59 C ATOM 230 N9 DG A 8 -0.958 -1.061 5.783 1.00 0.58 N ATOM 231 C8 DG A 8 -2.274 -0.714 5.895 1.00 0.62 C ATOM 232 N7 DG A 8 -2.921 -0.781 4.766 1.00 0.61 N ATOM 233 C5 DG A 8 -1.973 -1.200 3.852 1.00 0.56 C ATOM 234 C6 DG A 8 -2.087 -1.452 2.465 1.00 0.55 C ATOM 235 O6 DG A 8 -3.079 -1.349 1.741 1.00 0.58 O ATOM 236 N1 DG A 8 -0.883 -1.861 1.921 1.00 0.55 N ATOM 237 C2 DG A 8 0.282 -2.011 2.626 1.00 0.56 C ATOM 238 N2 DG A 8 1.339 -2.416 1.927 1.00 0.61 N ATOM 239 N3 DG A 8 0.402 -1.781 3.919 1.00 0.55 N ATOM 240 C4 DG A 8 -0.756 -1.381 4.465 1.00 0.55 C ATOM 0 H5' DG A 8 -1.257 -1.534 10.866 1.00 1.04 H new ATOM 0 H5'' DG A 8 -1.772 -0.329 9.702 1.00 1.04 H new ATOM 0 H4' DG A 8 0.448 -2.105 9.764 1.00 0.77 H new ATOM 0 H3' DG A 8 0.267 0.585 9.719 1.00 0.62 H new ATOM 0 H2' DG A 8 -0.709 0.833 7.531 1.00 0.60 H new ATOM 0 H2'' DG A 8 0.994 0.838 7.116 1.00 0.60 H new ATOM 0 H1' DG A 8 0.982 -1.328 6.377 1.00 0.59 H new ATOM 0 H8 DG A 8 -2.732 -0.414 6.826 1.00 0.62 H new ATOM 0 H1 DG A 8 -0.861 -2.066 0.922 1.00 0.55 H new ATOM 0 H21 DG A 8 2.238 -2.548 2.391 1.00 0.61 H new ATOM 0 H22 DG A 8 1.251 -2.595 0.927 1.00 0.61 H new ATOM 252 P DA A 9 2.889 0.906 9.205 1.00 0.67 P ATOM 253 OP1 DA A 9 3.963 0.573 10.126 1.00 0.88 O ATOM 254 OP2 DA A 9 2.077 2.085 9.443 1.00 0.64 O ATOM 255 O5' DA A 9 3.477 1.046 7.753 1.00 0.73 O ATOM 256 C5' DA A 9 4.404 0.180 7.270 1.00 0.84 C ATOM 257 C4' DA A 9 4.880 0.561 5.898 1.00 0.78 C ATOM 258 O4' DA A 9 3.786 0.433 4.971 1.00 0.68 O ATOM 259 C3' DA A 9 5.384 1.984 5.765 1.00 0.79 C ATOM 260 O3' DA A 9 6.581 2.011 4.999 1.00 0.85 O ATOM 261 C2' DA A 9 4.271 2.696 5.038 1.00 0.68 C ATOM 262 C1' DA A 9 3.674 1.602 4.200 1.00 0.61 C ATOM 263 N9 DA A 9 2.271 1.789 3.870 1.00 0.54 N ATOM 264 C8 DA A 9 1.243 2.062 4.726 1.00 0.55 C ATOM 265 N7 DA A 9 0.088 2.181 4.132 1.00 0.54 N ATOM 266 C5 DA A 9 0.371 1.973 2.794 1.00 0.49 C ATOM 267 C6 DA A 9 -0.433 1.967 1.646 1.00 0.48 C ATOM 268 N6 DA A 9 -1.740 2.184 1.662 1.00 0.52 N ATOM 269 N1 DA A 9 0.160 1.727 0.464 1.00 0.46 N ATOM 270 C2 DA A 9 1.473 1.506 0.448 1.00 0.50 C ATOM 271 N3 DA A 9 2.333 1.486 1.460 1.00 0.53 N ATOM 272 C4 DA A 9 1.711 1.729 2.619 1.00 0.51 C ATOM 0 H5' DA A 9 3.979 -0.823 7.239 1.00 0.84 H new ATOM 0 H5'' DA A 9 5.255 0.145 7.951 1.00 0.84 H new ATOM 0 H4' DA A 9 5.716 -0.108 5.694 1.00 0.78 H new ATOM 0 H3' DA A 9 5.619 2.445 6.725 1.00 0.79 H new ATOM 0 H2' DA A 9 3.543 3.121 5.729 1.00 0.68 H new ATOM 0 H2'' DA A 9 4.646 3.516 4.426 1.00 0.68 H new ATOM 0 H1' DA A 9 4.203 1.575 3.247 1.00 0.61 H new ATOM 0 H8 DA A 9 1.374 2.169 5.793 1.00 0.55 H new ATOM 0 H61 DA A 9 -2.271 2.166 0.791 1.00 0.52 H new ATOM 0 H62 DA A 9 -2.215 2.369 2.545 1.00 0.52 H new ATOM 0 H2 DA A 9 1.899 1.316 -0.526 1.00 0.50 H new ATOM 284 P DT A 10 7.313 3.393 4.700 1.00 0.95 P ATOM 285 OP1 DT A 10 8.716 3.228 5.031 1.00 1.16 O ATOM 286 OP2 DT A 10 6.544 4.459 5.326 1.00 1.01 O ATOM 287 O5' DT A 10 7.202 3.580 3.145 1.00 0.84 O ATOM 288 C5' DT A 10 7.530 2.525 2.272 1.00 0.85 C ATOM 289 C4' DT A 10 7.259 2.910 0.850 1.00 0.71 C ATOM 290 O4' DT A 10 5.834 2.963 0.653 1.00 0.62 O ATOM 291 C3' DT A 10 7.796 4.271 0.431 1.00 0.68 C ATOM 292 O3' DT A 10 8.299 4.212 -0.904 1.00 0.67 O ATOM 293 C2' DT A 10 6.579 5.163 0.509 1.00 0.59 C ATOM 294 C1' DT A 10 5.471 4.218 0.122 1.00 0.53 C ATOM 295 N1 DT A 10 4.142 4.565 0.652 1.00 0.46 N ATOM 296 C2 DT A 10 3.096 4.630 -0.230 1.00 0.39 C ATOM 297 O2 DT A 10 3.215 4.419 -1.422 1.00 0.39 O ATOM 298 N3 DT A 10 1.897 4.955 0.336 1.00 0.35 N ATOM 299 C4 DT A 10 1.642 5.216 1.660 1.00 0.38 C ATOM 300 O4 DT A 10 0.505 5.495 2.020 1.00 0.37 O ATOM 301 C5 DT A 10 2.784 5.134 2.532 1.00 0.45 C ATOM 302 C7 DT A 10 2.604 5.426 3.985 1.00 0.52 C ATOM 303 C6 DT A 10 3.966 4.813 1.995 1.00 0.49 C ATOM 0 H5' DT A 10 6.950 1.639 2.531 1.00 0.85 H new ATOM 0 H5'' DT A 10 8.582 2.263 2.389 1.00 0.85 H new ATOM 0 H4' DT A 10 7.769 2.157 0.250 1.00 0.71 H new ATOM 0 H3' DT A 10 8.619 4.624 1.052 1.00 0.68 H new ATOM 0 H2' DT A 10 6.436 5.571 1.510 1.00 0.59 H new ATOM 0 H2'' DT A 10 6.650 6.010 -0.174 1.00 0.59 H new ATOM 0 H1' DT A 10 5.373 4.248 -0.963 1.00 0.53 H new ATOM 0 H3 DT A 10 1.099 5.010 -0.297 1.00 0.35 H new ATOM 0 H71 DT A 10 1.797 6.147 4.114 1.00 0.52 H new ATOM 0 H72 DT A 10 2.356 4.505 4.513 1.00 0.52 H new ATOM 0 H73 DT A 10 3.528 5.839 4.390 1.00 0.52 H new ATOM 0 H6 DT A 10 4.825 4.745 2.647 1.00 0.49 H new ATOM 316 P DA A 11 9.136 5.407 -1.496 1.00 0.72 P ATOM 317 OP1 DA A 11 10.338 4.845 -2.067 1.00 0.87 O ATOM 318 OP2 DA A 11 9.237 6.467 -0.495 1.00 0.82 O ATOM 319 O5' DA A 11 8.266 5.921 -2.661 1.00 0.75 O ATOM 320 C5' DA A 11 7.881 5.254 -3.634 1.00 1.04 C ATOM 321 C4' DA A 11 7.106 5.920 -4.691 1.00 1.00 C ATOM 322 O4' DA A 11 5.753 6.022 -4.256 1.00 0.87 O ATOM 323 C3' DA A 11 7.559 7.308 -5.037 1.00 1.06 C ATOM 324 O3' DA A 11 7.362 7.585 -6.400 1.00 1.16 O ATOM 325 C2' DA A 11 6.663 8.152 -4.195 1.00 1.01 C ATOM 326 C1' DA A 11 5.388 7.367 -4.131 1.00 0.86 C ATOM 327 N9 DA A 11 4.640 7.511 -2.893 1.00 0.80 N ATOM 328 C8 DA A 11 5.132 7.545 -1.622 1.00 0.85 C ATOM 329 N7 DA A 11 4.215 7.685 -0.708 1.00 0.82 N ATOM 330 C5 DA A 11 3.038 7.747 -1.426 1.00 0.73 C ATOM 331 C6 DA A 11 1.704 7.896 -1.036 1.00 0.68 C ATOM 332 N6 DA A 11 1.315 8.011 0.225 1.00 0.74 N ATOM 333 N1 DA A 11 0.769 7.921 -2.000 1.00 0.62 N ATOM 334 C2 DA A 11 1.160 7.805 -3.267 1.00 0.62 C ATOM 335 N3 DA A 11 2.382 7.663 -3.757 1.00 0.67 N ATOM 336 C4 DA A 11 3.286 7.641 -2.773 1.00 0.71 C ATOM 0 H5' DA A 11 7.277 4.431 -3.251 1.00 1.04 H new ATOM 0 H5'' DA A 11 8.762 4.812 -4.100 1.00 1.04 H new ATOM 0 H4' DA A 11 7.241 5.309 -5.583 1.00 1.00 H new ATOM 0 H3' DA A 11 8.622 7.473 -4.859 1.00 1.06 H new ATOM 0 H2' DA A 11 7.083 8.314 -3.202 1.00 1.01 H new ATOM 0 H2'' DA A 11 6.506 9.135 -4.639 1.00 1.01 H new ATOM 0 HO3' DA A 11 7.665 8.496 -6.596 1.00 1.16 H new ATOM 0 H1' DA A 11 4.734 7.738 -4.920 1.00 0.86 H new ATOM 0 H8 DA A 11 6.185 7.463 -1.394 1.00 0.85 H new ATOM 0 H61 DA A 11 0.325 8.117 0.446 1.00 0.74 H new ATOM 0 H62 DA A 11 2.006 7.993 0.975 1.00 0.74 H new ATOM 0 H2 DA A 11 0.367 7.830 -4.000 1.00 0.62 H new TER 349 DA A 11