USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 12 DT C7 :methyl -30:sc= -0.0177 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -1.02 (180deg=-5.06!) USER MOD Single : A 1 DG O5' : rot 30:sc= 1.34 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.26 (180deg=-6.19!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.169 2.536 2.847 1.00 0.00 O ATOM 2 C5' DG A 1 7.989 3.263 3.752 1.00 0.00 C ATOM 3 C4' DG A 1 7.571 3.060 5.217 1.00 0.00 C ATOM 4 O4' DG A 1 6.191 3.387 5.325 1.00 0.00 O ATOM 5 C3' DG A 1 7.740 1.617 5.720 1.00 0.00 C ATOM 6 O3' DG A 1 8.129 1.657 7.088 1.00 0.00 O ATOM 7 C2' DG A 1 6.332 1.061 5.560 1.00 0.00 C ATOM 8 C1' DG A 1 5.510 2.291 5.907 1.00 0.00 C ATOM 9 N9 DG A 1 4.115 2.171 5.441 1.00 0.00 N ATOM 10 C8 DG A 1 3.027 1.879 6.215 1.00 0.00 C ATOM 11 N7 DG A 1 1.890 1.917 5.578 1.00 0.00 N ATOM 12 C5 DG A 1 2.260 2.196 4.260 1.00 0.00 C ATOM 13 C6 DG A 1 1.459 2.333 3.076 1.00 0.00 C ATOM 14 O6 DG A 1 0.233 2.288 2.986 1.00 0.00 O ATOM 15 N1 DG A 1 2.207 2.535 1.928 1.00 0.00 N ATOM 16 C2 DG A 1 3.576 2.628 1.930 1.00 0.00 C ATOM 17 N2 DG A 1 4.203 2.802 0.792 1.00 0.00 N ATOM 18 N3 DG A 1 4.349 2.550 3.018 1.00 0.00 N ATOM 19 C4 DG A 1 3.629 2.322 4.159 1.00 0.00 C ATOM 0 H5' DG A 1 7.942 4.324 3.508 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.026 2.953 3.627 1.00 0.00 H new ATOM 0 H4' DG A 1 8.218 3.694 5.822 1.00 0.00 H new ATOM 0 H3' DG A 1 8.491 1.024 5.198 1.00 0.00 H new ATOM 0 H2' DG A 1 6.139 0.705 4.548 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.136 0.227 6.234 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.269 2.444 3.223 1.00 0.00 H new ATOM 0 H1' DG A 1 5.423 2.423 6.986 1.00 0.00 H new ATOM 0 H8 DG A 1 3.103 1.637 7.265 1.00 0.00 H new ATOM 0 H1 DG A 1 1.716 2.619 1.038 1.00 0.00 H new ATOM 0 H21 DG A 1 5.220 2.873 0.776 1.00 0.00 H new ATOM 0 H22 DG A 1 3.673 2.866 -0.077 1.00 0.00 H new ATOM 32 P DG A 2 8.701 0.366 7.869 1.00 0.00 P ATOM 33 OP1 DG A 2 9.270 0.794 9.160 1.00 0.00 O ATOM 34 OP2 DG A 2 9.526 -0.431 6.930 1.00 0.00 O ATOM 35 O5' DG A 2 7.400 -0.528 8.161 1.00 0.00 O ATOM 36 C5' DG A 2 6.519 -0.236 9.237 1.00 0.00 C ATOM 37 C4' DG A 2 5.244 -1.086 9.164 1.00 0.00 C ATOM 38 O4' DG A 2 4.446 -0.701 8.056 1.00 0.00 O ATOM 39 C3' DG A 2 5.539 -2.582 9.026 1.00 0.00 C ATOM 40 O3' DG A 2 5.173 -3.257 10.214 1.00 0.00 O ATOM 41 C2' DG A 2 4.668 -3.046 7.863 1.00 0.00 C ATOM 42 C1' DG A 2 3.757 -1.843 7.588 1.00 0.00 C ATOM 43 N9 DG A 2 3.396 -1.643 6.173 1.00 0.00 N ATOM 44 C8 DG A 2 4.235 -1.636 5.100 1.00 0.00 C ATOM 45 N7 DG A 2 3.665 -1.374 3.957 1.00 0.00 N ATOM 46 C5 DG A 2 2.321 -1.216 4.306 1.00 0.00 C ATOM 47 C6 DG A 2 1.172 -0.945 3.495 1.00 0.00 C ATOM 48 O6 DG A 2 1.123 -0.803 2.278 1.00 0.00 O ATOM 49 N1 DG A 2 -0.004 -0.860 4.217 1.00 0.00 N ATOM 50 C2 DG A 2 -0.076 -1.031 5.570 1.00 0.00 C ATOM 51 N2 DG A 2 -1.256 -0.959 6.146 1.00 0.00 N ATOM 52 N3 DG A 2 0.968 -1.316 6.353 1.00 0.00 N ATOM 53 C4 DG A 2 2.147 -1.381 5.662 1.00 0.00 C ATOM 0 H5' DG A 2 6.255 0.821 9.216 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.026 -0.419 10.184 1.00 0.00 H new ATOM 0 H4' DG A 2 4.718 -0.913 10.103 1.00 0.00 H new ATOM 0 H3' DG A 2 6.596 -2.784 8.853 1.00 0.00 H new ATOM 0 H2' DG A 2 5.269 -3.301 6.990 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.091 -3.934 8.124 1.00 0.00 H new ATOM 0 H1' DG A 2 2.810 -2.023 8.097 1.00 0.00 H new ATOM 0 H8 DG A 2 5.293 -1.833 5.189 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.866 -0.658 3.711 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.339 -1.083 7.155 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.088 -0.779 5.584 1.00 0.00 H new HETATM 65 P TAF A 3 6.105 -4.430 10.801 1.00 0.00 P HETATM 66 OP1 TAF A 3 5.486 -4.969 12.028 1.00 0.00 O HETATM 67 OP2 TAF A 3 7.502 -3.942 10.819 1.00 0.00 O HETATM 68 O5' TAF A 3 5.980 -5.535 9.643 1.00 0.00 O HETATM 69 N1 TAF A 3 3.489 -8.669 7.045 1.00 0.00 N HETATM 70 C6 TAF A 3 2.602 -7.741 7.560 1.00 0.00 C HETATM 71 C2 TAF A 3 3.028 -9.788 6.345 1.00 0.00 C HETATM 72 O2 TAF A 3 3.769 -10.644 5.874 1.00 0.00 O HETATM 73 N3 TAF A 3 1.666 -9.905 6.180 1.00 0.00 N HETATM 74 C4 TAF A 3 0.721 -9.003 6.619 1.00 0.00 C HETATM 75 O4 TAF A 3 -0.457 -9.211 6.351 1.00 0.00 O HETATM 76 C5 TAF A 3 1.258 -7.868 7.365 1.00 0.00 C HETATM 77 C5M TAF A 3 0.303 -6.806 7.892 1.00 0.00 C HETATM 78 F2' TAF A 3 4.567 -6.518 5.731 1.00 0.00 F HETATM 79 C2' TAF A 3 5.521 -7.413 6.173 1.00 0.00 C HETATM 80 C5' TAF A 3 6.927 -6.585 9.524 1.00 0.00 C HETATM 81 C4' TAF A 3 6.628 -7.467 8.305 1.00 0.00 C HETATM 82 O4' TAF A 3 5.364 -8.098 8.434 1.00 0.00 O HETATM 83 C1' TAF A 3 4.965 -8.474 7.132 1.00 0.00 C HETATM 84 C3' TAF A 3 6.558 -6.664 7.005 1.00 0.00 C HETATM 85 O3' TAF A 3 7.810 -6.561 6.327 1.00 0.00 O HETATM 0 H5'' TAF A 3 7.929 -6.166 9.436 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.403 -6.732 8.975 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.542 -5.844 7.438 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.721 -7.081 7.641 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.983 -6.894 8.131 1.00 0.00 H new HETATM 0 H5' TAF A 3 6.915 -7.194 10.428 1.00 0.00 H new HETATM 0 H4' TAF A 3 7.444 -8.188 8.266 1.00 0.00 H new HETATM 0 H3' TAF A 3 6.290 -5.624 7.193 1.00 0.00 H new HETATM 0 H3 TAF A 3 1.326 -10.732 5.690 1.00 0.00 H new HETATM 0 H2' TAF A 3 5.916 -7.886 5.274 1.00 0.00 H new HETATM 0 H1' TAF A 3 5.371 -9.446 6.852 1.00 0.00 H new ATOM 97 P DT A 4 8.143 -5.300 5.372 1.00 0.00 P ATOM 98 OP1 DT A 4 9.525 -5.447 4.881 1.00 0.00 O ATOM 99 OP2 DT A 4 7.801 -4.077 6.135 1.00 0.00 O ATOM 100 O5' DT A 4 7.118 -5.388 4.127 1.00 0.00 O ATOM 101 C5' DT A 4 7.295 -6.306 3.055 1.00 0.00 C ATOM 102 C4' DT A 4 6.514 -5.876 1.801 1.00 0.00 C ATOM 103 O4' DT A 4 5.108 -5.997 1.963 1.00 0.00 O ATOM 104 C3' DT A 4 6.813 -4.422 1.398 1.00 0.00 C ATOM 105 O3' DT A 4 6.956 -4.265 0.003 1.00 0.00 O ATOM 106 C2' DT A 4 5.527 -3.736 1.802 1.00 0.00 C ATOM 107 C1' DT A 4 4.515 -4.817 1.445 1.00 0.00 C ATOM 108 N1 DT A 4 3.208 -4.574 2.088 1.00 0.00 N ATOM 109 C2 DT A 4 2.082 -4.228 1.337 1.00 0.00 C ATOM 110 O2 DT A 4 2.099 -4.045 0.127 1.00 0.00 O ATOM 111 N3 DT A 4 0.896 -4.109 2.039 1.00 0.00 N ATOM 112 C4 DT A 4 0.736 -4.287 3.396 1.00 0.00 C ATOM 113 O4 DT A 4 -0.396 -4.195 3.874 1.00 0.00 O ATOM 114 C5 DT A 4 1.971 -4.583 4.114 1.00 0.00 C ATOM 115 C7 DT A 4 1.950 -4.767 5.609 1.00 0.00 C ATOM 116 C6 DT A 4 3.143 -4.716 3.441 1.00 0.00 C ATOM 0 H5' DT A 4 6.965 -7.297 3.367 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.355 -6.384 2.814 1.00 0.00 H new ATOM 0 H4' DT A 4 6.851 -6.557 1.019 1.00 0.00 H new ATOM 0 H3' DT A 4 7.734 -4.050 1.847 1.00 0.00 H new ATOM 0 H2' DT A 4 5.507 -3.483 2.862 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.359 -2.811 1.250 1.00 0.00 H new ATOM 0 H1' DT A 4 4.311 -4.861 0.375 1.00 0.00 H new ATOM 0 H3 DT A 4 0.063 -3.867 1.503 1.00 0.00 H new ATOM 0 H71 DT A 4 1.151 -4.163 6.039 1.00 0.00 H new ATOM 0 H72 DT A 4 1.777 -5.817 5.844 1.00 0.00 H new ATOM 0 H73 DT A 4 2.907 -4.454 6.028 1.00 0.00 H new ATOM 0 H6 DT A 4 4.045 -4.940 3.992 1.00 0.00 H new ATOM 129 P DG A 5 8.328 -4.627 -0.742 1.00 0.00 P ATOM 130 OP1 DG A 5 8.375 -6.094 -0.925 1.00 0.00 O ATOM 131 OP2 DG A 5 9.425 -3.925 -0.042 1.00 0.00 O ATOM 132 O5' DG A 5 8.075 -3.912 -2.157 1.00 0.00 O ATOM 133 C5' DG A 5 8.058 -2.500 -2.253 1.00 0.00 C ATOM 134 C4' DG A 5 7.535 -2.070 -3.625 1.00 0.00 C ATOM 135 O4' DG A 5 6.124 -2.276 -3.682 1.00 0.00 O ATOM 136 C3' DG A 5 7.774 -0.574 -3.872 1.00 0.00 C ATOM 137 O3' DG A 5 8.144 -0.378 -5.234 1.00 0.00 O ATOM 138 C2' DG A 5 6.408 0.016 -3.557 1.00 0.00 C ATOM 139 C1' DG A 5 5.514 -1.078 -4.126 1.00 0.00 C ATOM 140 N9 DG A 5 4.080 -0.977 -3.743 1.00 0.00 N ATOM 141 C8 DG A 5 3.003 -0.943 -4.599 1.00 0.00 C ATOM 142 N7 DG A 5 1.839 -0.891 -4.013 1.00 0.00 N ATOM 143 C5 DG A 5 2.166 -0.863 -2.657 1.00 0.00 C ATOM 144 C6 DG A 5 1.323 -0.783 -1.501 1.00 0.00 C ATOM 145 O6 DG A 5 0.100 -0.738 -1.452 1.00 0.00 O ATOM 146 N1 DG A 5 2.015 -0.729 -0.312 1.00 0.00 N ATOM 147 C2 DG A 5 3.370 -0.747 -0.230 1.00 0.00 C ATOM 148 N2 DG A 5 3.890 -0.665 0.972 1.00 0.00 N ATOM 149 N3 DG A 5 4.192 -0.819 -1.277 1.00 0.00 N ATOM 150 C4 DG A 5 3.534 -0.886 -2.476 1.00 0.00 C ATOM 0 H5' DG A 5 9.062 -2.106 -2.099 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.427 -2.082 -1.468 1.00 0.00 H new ATOM 0 H4' DG A 5 8.063 -2.661 -4.373 1.00 0.00 H new ATOM 0 H3' DG A 5 8.572 -0.123 -3.282 1.00 0.00 H new ATOM 0 H2' DG A 5 6.255 0.166 -2.488 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.248 0.980 -4.041 1.00 0.00 H new ATOM 0 H1' DG A 5 5.452 -1.009 -5.212 1.00 0.00 H new ATOM 0 H8 DG A 5 3.113 -0.958 -5.673 1.00 0.00 H new ATOM 0 H1 DG A 5 1.480 -0.672 0.555 1.00 0.00 H new ATOM 0 H21 DG A 5 4.903 -0.674 1.091 1.00 0.00 H new ATOM 0 H22 DG A 5 3.281 -0.592 1.787 1.00 0.00 H new ATOM 162 P DG A 6 8.596 1.057 -5.814 1.00 0.00 P ATOM 163 OP1 DG A 6 9.329 0.842 -7.076 1.00 0.00 O ATOM 164 OP2 DG A 6 9.265 1.783 -4.709 1.00 0.00 O ATOM 165 O5' DG A 6 7.209 1.807 -6.127 1.00 0.00 O ATOM 166 C5' DG A 6 6.321 1.349 -7.133 1.00 0.00 C ATOM 167 C4' DG A 6 4.935 1.982 -6.966 1.00 0.00 C ATOM 168 O4' DG A 6 4.345 1.637 -5.724 1.00 0.00 O ATOM 169 C3' DG A 6 4.941 3.514 -7.048 1.00 0.00 C ATOM 170 O3' DG A 6 4.473 3.867 -8.338 1.00 0.00 O ATOM 171 C2' DG A 6 4.020 3.947 -5.898 1.00 0.00 C ATOM 172 C1' DG A 6 3.388 2.636 -5.440 1.00 0.00 C ATOM 173 N9 DG A 6 2.972 2.628 -4.021 1.00 0.00 N ATOM 174 C8 DG A 6 3.718 2.741 -2.869 1.00 0.00 C ATOM 175 N7 DG A 6 3.016 2.699 -1.772 1.00 0.00 N ATOM 176 C5 DG A 6 1.703 2.587 -2.224 1.00 0.00 C ATOM 177 C6 DG A 6 0.471 2.551 -1.498 1.00 0.00 C ATOM 178 O6 DG A 6 0.314 2.591 -0.280 1.00 0.00 O ATOM 179 N1 DG A 6 -0.637 2.488 -2.328 1.00 0.00 N ATOM 180 C2 DG A 6 -0.571 2.491 -3.694 1.00 0.00 C ATOM 181 N2 DG A 6 -1.683 2.504 -4.390 1.00 0.00 N ATOM 182 N3 DG A 6 0.561 2.505 -4.394 1.00 0.00 N ATOM 183 C4 DG A 6 1.668 2.558 -3.599 1.00 0.00 C ATOM 0 H5' DG A 6 6.238 0.263 -7.084 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.721 1.594 -8.117 1.00 0.00 H new ATOM 0 H4' DG A 6 4.360 1.582 -7.801 1.00 0.00 H new ATOM 0 H3' DG A 6 5.911 3.999 -6.936 1.00 0.00 H new ATOM 0 H2' DG A 6 4.579 4.426 -5.094 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.267 4.661 -6.233 1.00 0.00 H new ATOM 0 H1' DG A 6 2.451 2.467 -5.970 1.00 0.00 H new ATOM 0 H8 DG A 6 4.792 2.855 -2.874 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.558 2.436 -1.893 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.647 2.506 -5.409 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.584 2.512 -3.912 1.00 0.00 H new ATOM 195 P DT A 7 4.278 5.394 -8.809 1.00 0.00 P ATOM 196 OP1 DT A 7 4.419 5.445 -10.278 1.00 0.00 O ATOM 197 OP2 DT A 7 5.067 6.291 -7.936 1.00 0.00 O ATOM 198 O5' DT A 7 2.726 5.519 -8.443 1.00 0.00 O ATOM 199 C5' DT A 7 1.913 6.590 -8.875 1.00 0.00 C ATOM 200 C4' DT A 7 0.454 6.120 -8.949 1.00 0.00 C ATOM 201 O4' DT A 7 0.325 5.146 -9.980 1.00 0.00 O ATOM 202 C3' DT A 7 -0.033 5.456 -7.647 1.00 0.00 C ATOM 203 O3' DT A 7 -1.410 5.701 -7.443 1.00 0.00 O ATOM 204 C2' DT A 7 0.126 3.975 -7.942 1.00 0.00 C ATOM 205 C1' DT A 7 -0.238 3.972 -9.426 1.00 0.00 C ATOM 206 N1 DT A 7 0.267 2.776 -10.141 1.00 0.00 N ATOM 207 C2 DT A 7 -0.649 1.972 -10.824 1.00 0.00 C ATOM 208 O2 DT A 7 -1.856 2.185 -10.860 1.00 0.00 O ATOM 209 N3 DT A 7 -0.141 0.868 -11.473 1.00 0.00 N ATOM 210 C4 DT A 7 1.182 0.481 -11.487 1.00 0.00 C ATOM 211 O4 DT A 7 1.482 -0.539 -12.097 1.00 0.00 O ATOM 212 C5 DT A 7 2.088 1.360 -10.749 1.00 0.00 C ATOM 213 C7 DT A 7 3.574 1.056 -10.701 1.00 0.00 C ATOM 214 C6 DT A 7 1.610 2.464 -10.115 1.00 0.00 C ATOM 0 H5' DT A 7 2.244 6.942 -9.852 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.002 7.430 -8.187 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.145 7.011 -9.136 1.00 0.00 H new ATOM 0 H3' DT A 7 0.508 5.818 -6.773 1.00 0.00 H new ATOM 0 H2' DT A 7 1.139 3.618 -7.759 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.543 3.355 -7.345 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.322 3.945 -9.534 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.802 0.286 -11.988 1.00 0.00 H new ATOM 0 H71 DT A 7 4.133 1.987 -10.610 1.00 0.00 H new ATOM 0 H72 DT A 7 3.788 0.419 -9.843 1.00 0.00 H new ATOM 0 H73 DT A 7 3.870 0.543 -11.616 1.00 0.00 H new ATOM 0 H6 DT A 7 2.294 3.108 -9.582 1.00 0.00 H new ATOM 227 P DG A 8 -1.938 7.116 -6.899 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.308 7.305 -7.418 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.894 8.135 -7.149 1.00 0.00 O ATOM 230 O5' DG A 8 -1.983 6.810 -5.323 1.00 0.00 O ATOM 231 C5' DG A 8 -3.037 6.047 -4.755 1.00 0.00 C ATOM 232 C4' DG A 8 -2.973 6.063 -3.224 1.00 0.00 C ATOM 233 O4' DG A 8 -1.896 5.256 -2.775 1.00 0.00 O ATOM 234 C3' DG A 8 -2.808 7.476 -2.646 1.00 0.00 C ATOM 235 O3' DG A 8 -3.911 7.854 -1.848 1.00 0.00 O ATOM 236 C2' DG A 8 -1.575 7.401 -1.760 1.00 0.00 C ATOM 237 C1' DG A 8 -1.086 5.955 -1.851 1.00 0.00 C ATOM 238 N9 DG A 8 0.327 5.919 -2.289 1.00 0.00 N ATOM 239 C8 DG A 8 0.839 5.969 -3.562 1.00 0.00 C ATOM 240 N7 DG A 8 2.145 5.974 -3.608 1.00 0.00 N ATOM 241 C5 DG A 8 2.532 5.947 -2.264 1.00 0.00 C ATOM 242 C6 DG A 8 3.827 5.950 -1.637 1.00 0.00 C ATOM 243 O6 DG A 8 4.949 5.974 -2.135 1.00 0.00 O ATOM 244 N1 DG A 8 3.769 5.927 -0.255 1.00 0.00 N ATOM 245 C2 DG A 8 2.606 5.903 0.456 1.00 0.00 C ATOM 246 N2 DG A 8 2.687 5.895 1.768 1.00 0.00 N ATOM 247 N3 DG A 8 1.392 5.907 -0.086 1.00 0.00 N ATOM 248 C4 DG A 8 1.418 5.921 -1.453 1.00 0.00 C ATOM 0 H5' DG A 8 -2.979 5.019 -5.113 1.00 0.00 H new ATOM 0 H5'' DG A 8 -3.996 6.445 -5.085 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.926 5.669 -2.870 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.728 8.208 -3.450 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.807 8.096 -2.099 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.816 7.669 -0.731 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.154 5.485 -0.870 1.00 0.00 H new ATOM 0 H8 DG A 8 0.219 6.001 -4.445 1.00 0.00 H new ATOM 0 H1 DG A 8 4.648 5.928 0.262 1.00 0.00 H new ATOM 0 H21 DG A 8 1.837 5.877 2.331 1.00 0.00 H new ATOM 0 H22 DG A 8 3.600 5.907 2.223 1.00 0.00 H new ATOM 260 P DT A 9 -5.150 8.664 -2.481 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.224 8.373 -3.927 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.079 10.058 -1.998 1.00 0.00 O ATOM 263 O5' DT A 9 -6.376 7.933 -1.761 1.00 0.00 O ATOM 264 C5' DT A 9 -6.948 6.744 -2.280 1.00 0.00 C ATOM 265 C4' DT A 9 -7.987 6.206 -1.296 1.00 0.00 C ATOM 266 O4' DT A 9 -7.311 5.733 -0.139 1.00 0.00 O ATOM 267 C3' DT A 9 -8.968 7.293 -0.831 1.00 0.00 C ATOM 268 O3' DT A 9 -10.286 6.785 -0.728 1.00 0.00 O ATOM 269 C2' DT A 9 -8.470 7.631 0.565 1.00 0.00 C ATOM 270 C1' DT A 9 -7.930 6.278 1.008 1.00 0.00 C ATOM 271 N1 DT A 9 -6.989 6.417 2.150 1.00 0.00 N ATOM 272 C2 DT A 9 -7.538 6.561 3.431 1.00 0.00 C ATOM 273 O2 DT A 9 -8.744 6.458 3.682 1.00 0.00 O ATOM 274 N3 DT A 9 -6.646 6.800 4.457 1.00 0.00 N ATOM 275 C4 DT A 9 -5.271 6.731 4.356 1.00 0.00 C ATOM 276 O4 DT A 9 -4.614 6.836 5.384 1.00 0.00 O ATOM 277 C5 DT A 9 -4.761 6.530 3.001 1.00 0.00 C ATOM 278 C7 DT A 9 -3.264 6.466 2.747 1.00 0.00 C ATOM 279 C6 DT A 9 -5.622 6.414 1.953 1.00 0.00 C ATOM 0 H5' DT A 9 -6.171 5.998 -2.449 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.414 6.943 -3.245 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.545 5.421 -1.807 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.004 8.137 -1.520 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.698 8.401 0.554 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.269 7.990 1.214 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.719 5.622 1.376 1.00 0.00 H new ATOM 0 H3 DT A 9 -7.036 7.049 5.366 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.068 5.822 1.890 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.886 7.468 2.543 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.763 6.062 3.626 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.230 6.318 0.951 1.00 0.00 H new ATOM 292 P DG A 10 -11.350 7.053 -1.906 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.330 8.499 -2.213 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.617 6.396 -1.523 1.00 0.00 O ATOM 295 O5' DG A 10 -10.704 6.252 -3.146 1.00 0.00 O ATOM 296 C5' DG A 10 -10.881 4.855 -3.295 1.00 0.00 C ATOM 297 C4' DG A 10 -10.135 4.353 -4.535 1.00 0.00 C ATOM 298 O4' DG A 10 -8.724 4.429 -4.335 1.00 0.00 O ATOM 299 C3' DG A 10 -10.454 2.878 -4.829 1.00 0.00 C ATOM 300 O3' DG A 10 -10.592 2.730 -6.236 1.00 0.00 O ATOM 301 C2' DG A 10 -9.204 2.193 -4.293 1.00 0.00 C ATOM 302 C1' DG A 10 -8.176 3.202 -4.779 1.00 0.00 C ATOM 303 N9 DG A 10 -6.798 2.963 -4.258 1.00 0.00 N ATOM 304 C8 DG A 10 -5.617 2.775 -4.954 1.00 0.00 C ATOM 305 N7 DG A 10 -4.557 2.685 -4.203 1.00 0.00 N ATOM 306 C5 DG A 10 -5.063 2.767 -2.913 1.00 0.00 C ATOM 307 C6 DG A 10 -4.389 2.699 -1.655 1.00 0.00 C ATOM 308 O6 DG A 10 -3.192 2.593 -1.427 1.00 0.00 O ATOM 309 N1 DG A 10 -5.237 2.742 -0.579 1.00 0.00 N ATOM 310 C2 DG A 10 -6.589 2.815 -0.671 1.00 0.00 C ATOM 311 N2 DG A 10 -7.260 2.742 0.457 1.00 0.00 N ATOM 312 N3 DG A 10 -7.251 2.910 -1.824 1.00 0.00 N ATOM 313 C4 DG A 10 -6.434 2.885 -2.925 1.00 0.00 C ATOM 0 H5' DG A 10 -11.943 4.624 -3.383 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.514 4.339 -2.408 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.456 4.985 -5.363 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.369 2.480 -4.390 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.212 2.084 -3.208 1.00 0.00 H new ATOM 0 H2'' DG A 10 -9.053 1.198 -4.712 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.022 3.155 -5.857 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.578 2.708 -6.031 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.824 2.717 0.353 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.279 2.791 0.448 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.762 2.636 1.341 1.00 0.00 H new ATOM 325 P DG A 11 -11.086 1.353 -6.912 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.510 1.659 -8.295 1.00 0.00 O ATOM 327 OP2 DG A 11 -12.023 0.706 -5.972 1.00 0.00 O ATOM 328 O5' DG A 11 -9.721 0.496 -6.977 1.00 0.00 O ATOM 329 C5' DG A 11 -8.702 0.822 -7.905 1.00 0.00 C ATOM 330 C4' DG A 11 -7.415 0.028 -7.655 1.00 0.00 C ATOM 331 O4' DG A 11 -6.877 0.333 -6.375 1.00 0.00 O ATOM 332 C3' DG A 11 -7.596 -1.495 -7.728 1.00 0.00 C ATOM 333 O3' DG A 11 -6.737 -2.019 -8.727 1.00 0.00 O ATOM 334 C2' DG A 11 -7.120 -1.987 -6.363 1.00 0.00 C ATOM 335 C1' DG A 11 -6.218 -0.832 -5.930 1.00 0.00 C ATOM 336 N9 DG A 11 -5.878 -0.761 -4.488 1.00 0.00 N ATOM 337 C8 DG A 11 -6.685 -0.791 -3.371 1.00 0.00 C ATOM 338 N7 DG A 11 -6.031 -0.723 -2.242 1.00 0.00 N ATOM 339 C5 DG A 11 -4.696 -0.677 -2.632 1.00 0.00 C ATOM 340 C6 DG A 11 -3.496 -0.674 -1.852 1.00 0.00 C ATOM 341 O6 DG A 11 -3.382 -0.717 -0.631 1.00 0.00 O ATOM 342 N1 DG A 11 -2.348 -0.662 -2.615 1.00 0.00 N ATOM 343 C2 DG A 11 -2.333 -0.695 -3.976 1.00 0.00 C ATOM 344 N2 DG A 11 -1.165 -0.772 -4.578 1.00 0.00 N ATOM 345 N3 DG A 11 -3.433 -0.710 -4.735 1.00 0.00 N ATOM 346 C4 DG A 11 -4.590 -0.696 -4.003 1.00 0.00 C ATOM 0 H5' DG A 11 -8.486 1.889 -7.845 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.058 0.625 -8.916 1.00 0.00 H new ATOM 0 H4' DG A 11 -6.741 0.330 -8.457 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.619 -1.791 -7.962 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.947 -2.145 -5.671 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.577 -2.930 -6.432 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.233 -0.972 -6.374 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.761 -0.864 -3.424 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.452 -0.626 -2.129 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.117 -0.799 -5.597 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.308 -0.805 -4.026 1.00 0.00 H new ATOM 358 P DT A 12 -7.140 -3.318 -9.592 1.00 0.00 P ATOM 359 OP1 DT A 12 -5.978 -3.688 -10.425 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.449 -3.051 -10.226 1.00 0.00 O ATOM 361 O5' DT A 12 -7.330 -4.460 -8.467 1.00 0.00 O ATOM 362 C5' DT A 12 -8.474 -5.303 -8.466 1.00 0.00 C ATOM 363 C4' DT A 12 -8.425 -6.329 -7.328 1.00 0.00 C ATOM 364 O4' DT A 12 -7.246 -7.114 -7.401 1.00 0.00 O ATOM 365 C3' DT A 12 -8.440 -5.675 -5.945 1.00 0.00 C ATOM 366 O3' DT A 12 -9.686 -5.908 -5.318 1.00 0.00 O ATOM 367 C2' DT A 12 -7.338 -6.375 -5.164 1.00 0.00 C ATOM 368 C1' DT A 12 -6.900 -7.513 -6.093 1.00 0.00 C ATOM 369 N1 DT A 12 -5.438 -7.773 -6.012 1.00 0.00 N ATOM 370 C2 DT A 12 -5.014 -9.010 -5.519 1.00 0.00 C ATOM 371 O2 DT A 12 -5.771 -9.936 -5.252 1.00 0.00 O ATOM 372 N3 DT A 12 -3.659 -9.162 -5.314 1.00 0.00 N ATOM 373 C4 DT A 12 -2.697 -8.196 -5.521 1.00 0.00 C ATOM 374 O4 DT A 12 -1.533 -8.466 -5.246 1.00 0.00 O ATOM 375 C5 DT A 12 -3.202 -6.934 -6.057 1.00 0.00 C ATOM 376 C7 DT A 12 -2.249 -5.774 -6.296 1.00 0.00 C ATOM 377 C6 DT A 12 -4.531 -6.773 -6.304 1.00 0.00 C ATOM 0 H5' DT A 12 -8.543 -5.823 -9.421 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.373 -4.695 -8.369 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.317 -6.943 -7.452 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.290 -4.597 -5.999 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.512 -5.699 -4.943 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.703 -6.755 -4.210 1.00 0.00 H new ATOM 0 H1' DT A 12 -7.393 -8.441 -5.802 1.00 0.00 H new ATOM 0 H3 DT A 12 -3.339 -10.071 -4.979 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.429 -5.823 -5.579 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.850 -5.834 -7.309 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.784 -4.832 -6.172 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.882 -5.847 -6.736 1.00 0.00 H new ATOM 390 P DT A 13 -10.403 -4.751 -4.461 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.772 -5.211 -4.144 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.189 -3.473 -5.168 1.00 0.00 O ATOM 393 O5' DT A 13 -9.534 -4.716 -3.100 1.00 0.00 O ATOM 394 C5' DT A 13 -9.882 -5.525 -1.989 1.00 0.00 C ATOM 395 C4' DT A 13 -9.169 -5.077 -0.708 1.00 0.00 C ATOM 396 O4' DT A 13 -7.795 -5.427 -0.681 1.00 0.00 O ATOM 397 C3' DT A 13 -9.307 -3.575 -0.437 1.00 0.00 C ATOM 398 O3' DT A 13 -10.120 -3.360 0.700 1.00 0.00 O ATOM 399 C2' DT A 13 -7.871 -3.158 -0.170 1.00 0.00 C ATOM 400 C1' DT A 13 -7.100 -4.446 0.072 1.00 0.00 C ATOM 401 N1 DT A 13 -5.728 -4.289 -0.450 1.00 0.00 N ATOM 402 C2 DT A 13 -4.618 -4.196 0.400 1.00 0.00 C ATOM 403 O2 DT A 13 -4.668 -4.252 1.630 1.00 0.00 O ATOM 404 N3 DT A 13 -3.396 -4.050 -0.228 1.00 0.00 N ATOM 405 C4 DT A 13 -3.182 -4.024 -1.591 1.00 0.00 C ATOM 406 O4 DT A 13 -2.032 -3.937 -1.998 1.00 0.00 O ATOM 407 C5 DT A 13 -4.393 -4.099 -2.404 1.00 0.00 C ATOM 408 C7 DT A 13 -4.305 -4.065 -3.912 1.00 0.00 C ATOM 409 C6 DT A 13 -5.607 -4.198 -1.808 1.00 0.00 C ATOM 0 H5' DT A 13 -9.627 -6.563 -2.202 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.961 -5.487 -1.836 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.681 -5.623 0.084 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.772 -3.016 -1.248 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.460 -2.610 -1.018 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.811 -2.498 0.696 1.00 0.00 H new ATOM 0 H1' DT A 13 -7.032 -4.711 1.127 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.576 -3.952 0.371 1.00 0.00 H new ATOM 0 H71 DT A 13 -3.436 -3.480 -4.213 1.00 0.00 H new ATOM 0 H72 DT A 13 -4.208 -5.081 -4.294 1.00 0.00 H new ATOM 0 H73 DT A 13 -5.208 -3.609 -4.319 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.497 -4.205 -2.420 1.00 0.00 H new ATOM 422 P DG A 14 -10.573 -1.879 1.149 1.00 0.00 P ATOM 423 OP1 DG A 14 -12.040 -1.769 1.018 1.00 0.00 O ATOM 424 OP2 DG A 14 -9.685 -0.877 0.507 1.00 0.00 O ATOM 425 O5' DG A 14 -10.220 -1.881 2.711 1.00 0.00 O ATOM 426 C5' DG A 14 -10.194 -0.654 3.403 1.00 0.00 C ATOM 427 C4' DG A 14 -9.907 -0.832 4.897 1.00 0.00 C ATOM 428 O4' DG A 14 -8.605 -1.380 5.100 1.00 0.00 O ATOM 429 C3' DG A 14 -9.911 0.552 5.558 1.00 0.00 C ATOM 430 O3' DG A 14 -10.305 0.470 6.920 1.00 0.00 O ATOM 431 C2' DG A 14 -8.441 0.916 5.434 1.00 0.00 C ATOM 432 C1' DG A 14 -7.805 -0.413 5.760 1.00 0.00 C ATOM 433 N9 DG A 14 -6.382 -0.420 5.355 1.00 0.00 N ATOM 434 C8 DG A 14 -5.293 -0.314 6.175 1.00 0.00 C ATOM 435 N7 DG A 14 -4.142 -0.467 5.574 1.00 0.00 N ATOM 436 C5 DG A 14 -4.501 -0.552 4.227 1.00 0.00 C ATOM 437 C6 DG A 14 -3.691 -0.654 3.051 1.00 0.00 C ATOM 438 O6 DG A 14 -2.471 -0.788 2.985 1.00 0.00 O ATOM 439 N1 DG A 14 -4.419 -0.583 1.877 1.00 0.00 N ATOM 440 C2 DG A 14 -5.778 -0.451 1.829 1.00 0.00 C ATOM 441 N2 DG A 14 -6.368 -0.370 0.659 1.00 0.00 N ATOM 442 N3 DG A 14 -6.557 -0.404 2.905 1.00 0.00 N ATOM 443 C4 DG A 14 -5.867 -0.457 4.079 1.00 0.00 C ATOM 0 H5' DG A 14 -11.152 -0.149 3.277 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.433 -0.009 2.964 1.00 0.00 H new ATOM 0 H4' DG A 14 -10.662 -1.496 5.318 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.601 1.269 5.113 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.183 1.266 4.435 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.147 1.700 6.132 1.00 0.00 H new ATOM 0 H1' DG A 14 -7.778 -0.630 6.828 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.377 -0.120 7.234 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.911 -0.632 0.994 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.382 -0.271 0.605 1.00 0.00 H new ATOM 0 H22 DG A 14 -5.813 -0.406 -0.196 1.00 0.00 H new ATOM 455 P DG A 15 -10.600 1.792 7.803 1.00 0.00 P ATOM 456 OP1 DG A 15 -11.316 1.383 9.028 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.167 2.827 6.905 1.00 0.00 O ATOM 458 O5' DG A 15 -9.136 2.302 8.239 1.00 0.00 O ATOM 459 C5' DG A 15 -8.329 1.589 9.163 1.00 0.00 C ATOM 460 C4' DG A 15 -6.955 2.262 9.323 1.00 0.00 C ATOM 461 O4' DG A 15 -6.232 2.156 8.103 1.00 0.00 O ATOM 462 C3' DG A 15 -7.066 3.757 9.670 1.00 0.00 C ATOM 463 O3' DG A 15 -6.048 4.161 10.570 1.00 0.00 O ATOM 464 C2' DG A 15 -6.842 4.438 8.327 1.00 0.00 C ATOM 465 C1' DG A 15 -5.877 3.453 7.655 1.00 0.00 C ATOM 466 N9 DG A 15 -5.789 3.462 6.184 1.00 0.00 N ATOM 467 C8 DG A 15 -6.757 3.746 5.267 1.00 0.00 C ATOM 468 N7 DG A 15 -6.414 3.558 4.024 1.00 0.00 N ATOM 469 C5 DG A 15 -5.075 3.171 4.128 1.00 0.00 C ATOM 470 C6 DG A 15 -4.107 2.845 3.123 1.00 0.00 C ATOM 471 O6 DG A 15 -4.257 2.792 1.914 1.00 0.00 O ATOM 472 N1 DG A 15 -2.852 2.560 3.623 1.00 0.00 N ATOM 473 C2 DG A 15 -2.561 2.547 4.952 1.00 0.00 C ATOM 474 N2 DG A 15 -1.321 2.267 5.264 1.00 0.00 N ATOM 475 N3 DG A 15 -3.435 2.822 5.923 1.00 0.00 N ATOM 476 C4 DG A 15 -4.678 3.133 5.445 1.00 0.00 C ATOM 0 H5' DG A 15 -8.198 0.562 8.821 1.00 0.00 H new ATOM 0 H5'' DG A 15 -8.830 1.542 10.130 1.00 0.00 H new ATOM 0 H4' DG A 15 -6.447 1.751 10.141 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.015 3.999 10.149 1.00 0.00 H new ATOM 0 H2' DG A 15 -7.768 4.556 7.765 1.00 0.00 H new ATOM 0 H2'' DG A 15 -6.407 5.431 8.436 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.146 5.116 10.768 1.00 0.00 H new ATOM 0 H1' DG A 15 -4.880 3.778 7.952 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.737 4.101 5.550 1.00 0.00 H new ATOM 0 H1 DG A 15 -2.105 2.348 2.962 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.035 2.240 6.243 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.641 2.075 4.528 1.00 0.00 H new TER 489 DG A 15