USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.398 4.027 11.468 1.00 0.59 O ATOM 2 C5' DC A 1 -6.682 3.270 10.491 1.00 0.54 C ATOM 3 C4' DC A 1 -5.293 3.857 10.242 1.00 0.45 C ATOM 4 O4' DC A 1 -4.612 3.080 9.255 1.00 0.44 O ATOM 5 C3' DC A 1 -5.313 5.307 9.740 1.00 0.43 C ATOM 6 O3' DC A 1 -4.516 6.120 10.610 1.00 0.42 O ATOM 7 C2' DC A 1 -4.674 5.249 8.354 1.00 0.42 C ATOM 8 C1' DC A 1 -3.863 3.969 8.436 1.00 0.39 C ATOM 9 N1 DC A 1 -3.638 3.309 7.138 1.00 0.42 N ATOM 10 C2 DC A 1 -2.328 3.167 6.711 1.00 0.31 C ATOM 11 O2 DC A 1 -1.405 3.587 7.407 1.00 0.31 O ATOM 12 N3 DC A 1 -2.100 2.559 5.515 1.00 0.35 N ATOM 13 C4 DC A 1 -3.116 2.107 4.767 1.00 0.49 C ATOM 14 N4 DC A 1 -2.859 1.517 3.601 1.00 0.54 N ATOM 15 C5 DC A 1 -4.471 2.251 5.204 1.00 0.65 C ATOM 16 C6 DC A 1 -4.685 2.855 6.390 1.00 0.61 C ATOM 0 H5' DC A 1 -7.244 3.253 9.557 1.00 0.54 H new ATOM 0 H5'' DC A 1 -6.588 2.237 10.826 1.00 0.54 H new ATOM 0 H4' DC A 1 -4.790 3.838 11.209 1.00 0.45 H new ATOM 0 H3' DC A 1 -6.317 5.730 9.713 1.00 0.43 H new ATOM 0 H2' DC A 1 -5.421 5.209 7.561 1.00 0.42 H new ATOM 0 H2'' DC A 1 -4.046 6.118 8.157 1.00 0.42 H new ATOM 0 HO5' DC A 1 -8.283 3.630 11.606 1.00 0.59 H new ATOM 0 H1' DC A 1 -2.876 4.218 8.826 1.00 0.39 H new ATOM 0 H41 DC A 1 -3.626 1.170 3.025 1.00 0.54 H new ATOM 0 H42 DC A 1 -1.895 1.412 3.284 1.00 0.54 H new ATOM 0 H5 DC A 1 -5.293 1.889 4.605 1.00 0.65 H new ATOM 0 H6 DC A 1 -5.695 2.981 6.752 1.00 0.61 H new ATOM 29 P DG A 2 -4.336 7.694 10.321 1.00 0.46 P ATOM 30 OP1 DG A 2 -3.959 8.360 11.588 1.00 0.52 O ATOM 31 OP2 DG A 2 -5.518 8.164 9.564 1.00 0.54 O ATOM 32 O5' DG A 2 -3.063 7.727 9.337 1.00 0.40 O ATOM 33 C5' DG A 2 -1.750 7.453 9.836 1.00 0.37 C ATOM 34 C4' DG A 2 -0.698 7.577 8.736 1.00 0.32 C ATOM 35 O4' DG A 2 -0.988 6.649 7.690 1.00 0.33 O ATOM 36 C3' DG A 2 -0.626 8.970 8.096 1.00 0.34 C ATOM 37 O3' DG A 2 0.698 9.494 8.254 1.00 0.34 O ATOM 38 C2' DG A 2 -0.918 8.738 6.614 1.00 0.35 C ATOM 39 C1' DG A 2 -0.620 7.258 6.458 1.00 0.31 C ATOM 40 N9 DG A 2 -1.385 6.603 5.383 1.00 0.33 N ATOM 41 C8 DG A 2 -2.740 6.437 5.277 1.00 0.38 C ATOM 42 N7 DG A 2 -3.115 5.821 4.192 1.00 0.40 N ATOM 43 C5 DG A 2 -1.922 5.560 3.526 1.00 0.35 C ATOM 44 C6 DG A 2 -1.696 4.909 2.283 1.00 0.36 C ATOM 45 O6 DG A 2 -2.524 4.428 1.514 1.00 0.40 O ATOM 46 N1 DG A 2 -0.343 4.855 1.976 1.00 0.34 N ATOM 47 C2 DG A 2 0.669 5.361 2.765 1.00 0.32 C ATOM 48 N2 DG A 2 1.909 5.213 2.301 1.00 0.34 N ATOM 49 N3 DG A 2 0.458 5.972 3.934 1.00 0.31 N ATOM 50 C4 DG A 2 -0.856 6.035 4.249 1.00 0.32 C ATOM 0 H5' DG A 2 -1.722 6.448 10.257 1.00 0.37 H new ATOM 0 H5'' DG A 2 -1.515 8.144 10.645 1.00 0.37 H new ATOM 0 H4' DG A 2 0.257 7.377 9.221 1.00 0.32 H new ATOM 0 H3' DG A 2 -1.324 9.676 8.546 1.00 0.34 H new ATOM 0 H2' DG A 2 -1.951 8.974 6.360 1.00 0.35 H new ATOM 0 H2'' DG A 2 -0.284 9.351 5.973 1.00 0.35 H new ATOM 0 H1' DG A 2 0.433 7.147 6.200 1.00 0.31 H new ATOM 0 H8 DG A 2 -3.436 6.786 6.026 1.00 0.38 H new ATOM 0 H1 DG A 2 -0.077 4.407 1.099 1.00 0.34 H new ATOM 0 H21 DG A 2 2.700 5.566 2.839 1.00 0.34 H new ATOM 0 H22 DG A 2 2.067 4.746 1.408 1.00 0.34 H new ATOM 62 P DC A 3 1.112 10.893 7.571 1.00 0.38 P ATOM 63 OP1 DC A 3 2.147 11.532 8.414 1.00 0.41 O ATOM 64 OP2 DC A 3 -0.127 11.631 7.240 1.00 0.44 O ATOM 65 O5' DC A 3 1.803 10.424 6.193 1.00 0.35 O ATOM 66 C5' DC A 3 3.039 9.703 6.210 1.00 0.33 C ATOM 67 C4' DC A 3 3.547 9.424 4.798 1.00 0.32 C ATOM 68 O4' DC A 3 2.544 8.729 4.060 1.00 0.34 O ATOM 69 C3' DC A 3 3.900 10.686 4.002 1.00 0.33 C ATOM 70 O3' DC A 3 5.295 10.668 3.674 1.00 0.39 O ATOM 71 C2' DC A 3 3.069 10.590 2.720 1.00 0.35 C ATOM 72 C1' DC A 3 2.654 9.128 2.703 1.00 0.33 C ATOM 73 N1 DC A 3 1.358 8.873 2.049 1.00 0.33 N ATOM 74 C2 DC A 3 1.379 8.266 0.804 1.00 0.35 C ATOM 75 O2 DC A 3 2.451 7.964 0.285 1.00 0.37 O ATOM 76 N3 DC A 3 0.192 8.021 0.186 1.00 0.36 N ATOM 77 C4 DC A 3 -0.969 8.356 0.764 1.00 0.36 C ATOM 78 N4 DC A 3 -2.113 8.101 0.130 1.00 0.40 N ATOM 79 C5 DC A 3 -0.994 8.984 2.051 1.00 0.36 C ATOM 80 C6 DC A 3 0.186 9.223 2.654 1.00 0.35 C ATOM 0 H5' DC A 3 2.904 8.761 6.741 1.00 0.33 H new ATOM 0 H5'' DC A 3 3.787 10.275 6.760 1.00 0.33 H new ATOM 0 H4' DC A 3 4.458 8.838 4.924 1.00 0.32 H new ATOM 0 H3' DC A 3 3.696 11.600 4.559 1.00 0.33 H new ATOM 0 H2' DC A 3 2.206 11.256 2.745 1.00 0.35 H new ATOM 0 H2'' DC A 3 3.652 10.856 1.838 1.00 0.35 H new ATOM 0 H1' DC A 3 3.399 8.575 2.132 1.00 0.33 H new ATOM 0 H41 DC A 3 -3.002 8.352 0.562 1.00 0.40 H new ATOM 0 H42 DC A 3 -2.099 7.655 -0.787 1.00 0.40 H new ATOM 0 H5 DC A 3 -1.927 9.256 2.522 1.00 0.36 H new ATOM 0 H6 DC A 3 0.205 9.696 3.625 1.00 0.35 H new ATOM 92 P DG A 4 5.976 11.921 2.921 1.00 0.43 P ATOM 93 OP1 DG A 4 7.409 11.963 3.289 1.00 0.52 O ATOM 94 OP2 DG A 4 5.124 13.110 3.141 1.00 0.44 O ATOM 95 O5' DG A 4 5.867 11.506 1.367 1.00 0.40 O ATOM 96 C5' DG A 4 6.778 10.559 0.800 1.00 0.42 C ATOM 97 C4' DG A 4 6.509 10.345 -0.688 1.00 0.39 C ATOM 98 O4' DG A 4 5.164 9.888 -0.873 1.00 0.38 O ATOM 99 C3' DG A 4 6.681 11.610 -1.535 1.00 0.38 C ATOM 100 O3' DG A 4 7.492 11.311 -2.678 1.00 0.40 O ATOM 101 C2' DG A 4 5.267 11.962 -1.981 1.00 0.39 C ATOM 102 C1' DG A 4 4.596 10.602 -1.969 1.00 0.37 C ATOM 103 N9 DG A 4 3.135 10.652 -1.768 1.00 0.37 N ATOM 104 C8 DG A 4 2.434 11.190 -0.722 1.00 0.38 C ATOM 105 N7 DG A 4 1.141 11.069 -0.832 1.00 0.39 N ATOM 106 C5 DG A 4 0.968 10.403 -2.040 1.00 0.38 C ATOM 107 C6 DG A 4 -0.228 9.994 -2.690 1.00 0.39 C ATOM 108 O6 DG A 4 -1.388 10.142 -2.314 1.00 0.41 O ATOM 109 N1 DG A 4 0.040 9.354 -3.892 1.00 0.38 N ATOM 110 C2 DG A 4 1.300 9.133 -4.408 1.00 0.37 C ATOM 111 N2 DG A 4 1.356 8.502 -5.580 1.00 0.38 N ATOM 112 N3 DG A 4 2.427 9.516 -3.797 1.00 0.37 N ATOM 113 C4 DG A 4 2.185 10.143 -2.622 1.00 0.37 C ATOM 0 H5' DG A 4 6.691 9.609 1.327 1.00 0.42 H new ATOM 0 H5'' DG A 4 7.801 10.908 0.939 1.00 0.42 H new ATOM 0 H4' DG A 4 7.245 9.613 -1.019 1.00 0.39 H new ATOM 0 H3' DG A 4 7.161 12.423 -0.991 1.00 0.38 H new ATOM 0 H2' DG A 4 4.785 12.663 -1.299 1.00 0.39 H new ATOM 0 H2'' DG A 4 5.251 12.418 -2.971 1.00 0.39 H new ATOM 0 H1' DG A 4 4.758 10.136 -2.941 1.00 0.37 H new ATOM 0 H8 DG A 4 2.910 11.672 0.119 1.00 0.38 H new ATOM 0 H1 DG A 4 -0.756 9.021 -4.436 1.00 0.38 H new ATOM 0 H21 DG A 4 2.259 8.310 -6.013 1.00 0.38 H new ATOM 0 H22 DG A 4 0.496 8.211 -6.044 1.00 0.38 H new ATOM 125 P DA A 5 7.755 12.429 -3.806 1.00 0.41 P ATOM 126 OP1 DA A 5 9.177 12.352 -4.212 1.00 0.43 O ATOM 127 OP2 DA A 5 7.193 13.711 -3.329 1.00 0.52 O ATOM 128 O5' DA A 5 6.853 11.910 -5.035 1.00 0.37 O ATOM 129 C5' DA A 5 7.225 10.739 -5.767 1.00 0.34 C ATOM 130 C4' DA A 5 6.341 10.541 -6.995 1.00 0.36 C ATOM 131 O4' DA A 5 4.976 10.411 -6.584 1.00 0.42 O ATOM 132 C3' DA A 5 6.406 11.696 -7.993 1.00 0.37 C ATOM 133 O3' DA A 5 6.431 11.178 -9.327 1.00 0.40 O ATOM 134 C2' DA A 5 5.114 12.462 -7.759 1.00 0.34 C ATOM 135 C1' DA A 5 4.180 11.352 -7.305 1.00 0.34 C ATOM 136 N9 DA A 5 3.102 11.806 -6.408 1.00 0.35 N ATOM 137 C8 DA A 5 3.195 12.573 -5.276 1.00 0.38 C ATOM 138 N7 DA A 5 2.050 12.800 -4.695 1.00 0.40 N ATOM 139 C5 DA A 5 1.132 12.136 -5.501 1.00 0.37 C ATOM 140 C6 DA A 5 -0.262 11.990 -5.428 1.00 0.38 C ATOM 141 N6 DA A 5 -1.001 12.531 -4.461 1.00 0.43 N ATOM 142 N1 DA A 5 -0.858 11.267 -6.391 1.00 0.37 N ATOM 143 C2 DA A 5 -0.114 10.730 -7.352 1.00 0.35 C ATOM 144 N3 DA A 5 1.197 10.796 -7.528 1.00 0.34 N ATOM 145 C4 DA A 5 1.765 11.527 -6.547 1.00 0.35 C ATOM 0 H5' DA A 5 7.151 9.865 -5.120 1.00 0.34 H new ATOM 0 H5'' DA A 5 8.267 10.818 -6.077 1.00 0.34 H new ATOM 0 H4' DA A 5 6.715 9.645 -7.490 1.00 0.36 H new ATOM 0 H3' DA A 5 7.292 12.318 -7.867 1.00 0.37 H new ATOM 0 H2' DA A 5 5.228 13.237 -7.001 1.00 0.34 H new ATOM 0 H2'' DA A 5 4.758 12.952 -8.665 1.00 0.34 H new ATOM 0 H1' DA A 5 3.700 10.939 -8.192 1.00 0.34 H new ATOM 0 H8 DA A 5 4.132 12.955 -4.899 1.00 0.38 H new ATOM 0 H61 DA A 5 -2.012 12.394 -4.455 1.00 0.43 H new ATOM 0 H62 DA A 5 -0.556 13.082 -3.727 1.00 0.43 H new ATOM 0 H2 DA A 5 -0.654 10.160 -8.093 1.00 0.35 H new ATOM 157 P DA A 6 6.536 12.176 -10.587 1.00 0.46 P ATOM 158 OP1 DA A 6 7.192 11.453 -11.699 1.00 0.57 O ATOM 159 OP2 DA A 6 7.093 13.462 -10.112 1.00 0.55 O ATOM 160 O5' DA A 6 4.992 12.412 -10.982 1.00 0.37 O ATOM 161 C5' DA A 6 4.280 11.428 -11.738 1.00 0.37 C ATOM 162 C4' DA A 6 2.879 11.908 -12.107 1.00 0.32 C ATOM 163 O4' DA A 6 2.118 12.136 -10.915 1.00 0.30 O ATOM 164 C3' DA A 6 2.859 13.214 -12.912 1.00 0.35 C ATOM 165 O3' DA A 6 1.993 13.062 -14.043 1.00 0.42 O ATOM 166 C2' DA A 6 2.271 14.236 -11.947 1.00 0.32 C ATOM 167 C1' DA A 6 1.393 13.348 -11.090 1.00 0.29 C ATOM 168 N9 DA A 6 1.084 13.898 -9.757 1.00 0.29 N ATOM 169 C8 DA A 6 1.943 14.365 -8.796 1.00 0.35 C ATOM 170 N7 DA A 6 1.344 14.812 -7.726 1.00 0.39 N ATOM 171 C5 DA A 6 -0.008 14.625 -8.000 1.00 0.33 C ATOM 172 C6 DA A 6 -1.173 14.897 -7.265 1.00 0.35 C ATOM 173 N6 DA A 6 -1.158 15.444 -6.049 1.00 0.43 N ATOM 174 N1 DA A 6 -2.349 14.584 -7.837 1.00 0.31 N ATOM 175 C2 DA A 6 -2.356 14.043 -9.050 1.00 0.28 C ATOM 176 N3 DA A 6 -1.335 13.742 -9.835 1.00 0.26 N ATOM 177 C4 DA A 6 -0.172 14.067 -9.235 1.00 0.28 C ATOM 0 H5' DA A 6 4.209 10.506 -11.161 1.00 0.37 H new ATOM 0 H5'' DA A 6 4.836 11.194 -12.646 1.00 0.37 H new ATOM 0 H4' DA A 6 2.456 11.120 -12.729 1.00 0.32 H new ATOM 0 H3' DA A 6 3.843 13.502 -13.283 1.00 0.35 H new ATOM 0 H2' DA A 6 3.040 14.743 -11.364 1.00 0.32 H new ATOM 0 H2'' DA A 6 1.700 15.009 -12.461 1.00 0.32 H new ATOM 0 H1' DA A 6 0.433 13.231 -11.593 1.00 0.29 H new ATOM 0 H8 DA A 6 3.017 14.363 -8.914 1.00 0.35 H new ATOM 0 H61 DA A 6 -2.035 15.621 -5.558 1.00 0.43 H new ATOM 0 H62 DA A 6 -0.270 15.686 -5.610 1.00 0.43 H new ATOM 0 H2 DA A 6 -3.333 13.817 -9.452 1.00 0.28 H new ATOM 189 P DG A 7 1.795 14.264 -15.098 1.00 0.53 P ATOM 190 OP1 DG A 7 1.199 13.703 -16.332 1.00 0.71 O ATOM 191 OP2 DG A 7 3.061 15.028 -15.173 1.00 0.64 O ATOM 192 O5' DG A 7 0.689 15.191 -14.382 1.00 0.40 O ATOM 193 C5' DG A 7 -0.662 14.739 -14.244 1.00 0.38 C ATOM 194 C4' DG A 7 -1.524 15.764 -13.510 1.00 0.30 C ATOM 195 O4' DG A 7 -0.868 16.161 -12.301 1.00 0.31 O ATOM 196 C3' DG A 7 -1.800 17.037 -14.315 1.00 0.26 C ATOM 197 O3' DG A 7 -3.180 17.392 -14.178 1.00 0.34 O ATOM 198 C2' DG A 7 -0.926 18.095 -13.655 1.00 0.27 C ATOM 199 C1' DG A 7 -0.868 17.587 -12.225 1.00 0.31 C ATOM 200 N9 DG A 7 0.341 17.998 -11.486 1.00 0.38 N ATOM 201 C8 DG A 7 1.636 18.070 -11.929 1.00 0.43 C ATOM 202 N7 DG A 7 2.484 18.469 -11.022 1.00 0.56 N ATOM 203 C5 DG A 7 1.696 18.677 -9.895 1.00 0.61 C ATOM 204 C6 DG A 7 2.066 19.116 -8.595 1.00 0.78 C ATOM 205 O6 DG A 7 3.184 19.413 -8.179 1.00 0.90 O ATOM 206 N1 DG A 7 0.966 19.194 -7.752 1.00 0.84 N ATOM 207 C2 DG A 7 -0.330 18.887 -8.111 1.00 0.78 C ATOM 208 N2 DG A 7 -1.256 19.022 -7.161 1.00 0.92 N ATOM 209 N3 DG A 7 -0.679 18.473 -9.334 1.00 0.62 N ATOM 210 C4 DG A 7 0.382 18.392 -10.170 1.00 0.52 C ATOM 0 H5' DG A 7 -0.677 13.794 -13.701 1.00 0.38 H new ATOM 0 H5'' DG A 7 -1.085 14.546 -15.230 1.00 0.38 H new ATOM 0 H4' DG A 7 -2.478 15.269 -13.327 1.00 0.30 H new ATOM 0 H3' DG A 7 -1.588 16.925 -15.378 1.00 0.26 H new ATOM 0 H2' DG A 7 0.063 18.153 -14.110 1.00 0.27 H new ATOM 0 H2'' DG A 7 -1.366 19.090 -13.720 1.00 0.27 H new ATOM 0 H1' DG A 7 -1.718 18.007 -11.687 1.00 0.31 H new ATOM 0 H8 DG A 7 1.928 17.819 -12.938 1.00 0.43 H new ATOM 0 H1 DG A 7 1.129 19.502 -6.793 1.00 0.84 H new ATOM 0 H21 DG A 7 -2.232 18.810 -7.367 1.00 0.92 H new ATOM 0 H22 DG A 7 -0.988 19.337 -6.229 1.00 0.92 H new ATOM 222 P DC A 8 -3.755 18.745 -14.837 1.00 0.31 P ATOM 223 OP1 DC A 8 -4.950 18.399 -15.638 1.00 0.43 O ATOM 224 OP2 DC A 8 -2.628 19.468 -15.467 1.00 0.39 O ATOM 225 O5' DC A 8 -4.236 19.585 -13.549 1.00 0.30 O ATOM 226 C5' DC A 8 -5.132 19.001 -12.598 1.00 0.35 C ATOM 227 C4' DC A 8 -5.445 19.961 -11.453 1.00 0.34 C ATOM 228 O4' DC A 8 -4.225 20.482 -10.920 1.00 0.48 O ATOM 229 C3' DC A 8 -6.313 21.158 -11.860 1.00 0.27 C ATOM 230 O3' DC A 8 -7.409 21.286 -10.944 1.00 0.39 O ATOM 231 C2' DC A 8 -5.387 22.363 -11.729 1.00 0.40 C ATOM 232 C1' DC A 8 -4.395 21.876 -10.689 1.00 0.53 C ATOM 233 N1 DC A 8 -3.067 22.512 -10.771 1.00 0.72 N ATOM 234 C2 DC A 8 -2.719 23.398 -9.766 1.00 1.19 C ATOM 235 O2 DC A 8 -3.505 23.631 -8.851 1.00 1.44 O ATOM 236 N3 DC A 8 -1.495 23.992 -9.825 1.00 1.40 N ATOM 237 C4 DC A 8 -0.649 23.727 -10.829 1.00 1.19 C ATOM 238 N4 DC A 8 0.542 24.326 -10.857 1.00 1.43 N ATOM 239 C5 DC A 8 -1.005 22.812 -11.870 1.00 0.79 C ATOM 240 C6 DC A 8 -2.218 22.230 -11.801 1.00 0.58 C ATOM 0 H5' DC A 8 -4.692 18.088 -12.197 1.00 0.35 H new ATOM 0 H5'' DC A 8 -6.058 18.716 -13.098 1.00 0.35 H new ATOM 0 H4' DC A 8 -6.004 19.375 -10.723 1.00 0.34 H new ATOM 0 H3' DC A 8 -6.727 21.058 -12.863 1.00 0.27 H new ATOM 0 H2' DC A 8 -4.902 22.611 -12.673 1.00 0.40 H new ATOM 0 H2'' DC A 8 -5.920 23.255 -11.400 1.00 0.40 H new ATOM 0 H1' DC A 8 -4.794 22.124 -9.705 1.00 0.53 H new ATOM 0 H41 DC A 8 1.193 24.131 -11.617 1.00 1.43 H new ATOM 0 H42 DC A 8 0.802 24.979 -10.118 1.00 1.43 H new ATOM 0 H5 DC A 8 -0.326 22.596 -12.682 1.00 0.79 H new ATOM 0 H6 DC A 8 -2.521 21.533 -12.569 1.00 0.58 H new ATOM 252 P DA A 9 -8.405 22.549 -11.026 1.00 0.47 P ATOM 253 OP1 DA A 9 -8.607 22.886 -12.453 1.00 0.55 O ATOM 254 OP2 DA A 9 -7.918 23.585 -10.087 1.00 0.58 O ATOM 255 O5' DA A 9 -9.790 21.956 -10.448 1.00 0.44 O ATOM 256 C5' DA A 9 -9.983 21.786 -9.040 1.00 0.42 C ATOM 257 C4' DA A 9 -10.081 20.310 -8.664 1.00 0.38 C ATOM 258 O4' DA A 9 -8.887 19.640 -9.058 1.00 0.39 O ATOM 259 C3' DA A 9 -10.268 20.047 -7.160 1.00 0.38 C ATOM 260 O3' DA A 9 -11.505 19.349 -6.952 1.00 0.38 O ATOM 261 C2' DA A 9 -9.091 19.149 -6.769 1.00 0.37 C ATOM 262 C1' DA A 9 -8.645 18.605 -8.119 1.00 0.37 C ATOM 263 N9 DA A 9 -7.216 18.239 -8.221 1.00 0.40 N ATOM 264 C8 DA A 9 -6.143 18.666 -7.473 1.00 0.43 C ATOM 265 N7 DA A 9 -5.002 18.160 -7.851 1.00 0.47 N ATOM 266 C5 DA A 9 -5.339 17.341 -8.923 1.00 0.47 C ATOM 267 C6 DA A 9 -4.574 16.520 -9.767 1.00 0.53 C ATOM 268 N6 DA A 9 -3.253 16.388 -9.655 1.00 0.58 N ATOM 269 N1 DA A 9 -5.227 15.846 -10.729 1.00 0.54 N ATOM 270 C2 DA A 9 -6.543 15.984 -10.835 1.00 0.50 C ATOM 271 N3 DA A 9 -7.368 16.720 -10.108 1.00 0.44 N ATOM 272 C4 DA A 9 -6.683 17.383 -9.153 1.00 0.42 C ATOM 0 H5' DA A 9 -10.892 22.303 -8.731 1.00 0.42 H new ATOM 0 H5'' DA A 9 -9.156 22.246 -8.500 1.00 0.42 H new ATOM 0 H4' DA A 9 -10.967 19.940 -9.180 1.00 0.38 H new ATOM 0 H3' DA A 9 -10.297 20.965 -6.572 1.00 0.38 H new ATOM 0 H2' DA A 9 -8.298 19.709 -6.273 1.00 0.37 H new ATOM 0 H2'' DA A 9 -9.394 18.353 -6.088 1.00 0.37 H new ATOM 0 H1' DA A 9 -9.198 17.681 -8.290 1.00 0.37 H new ATOM 0 H8 DA A 9 -6.237 19.357 -6.648 1.00 0.43 H new ATOM 0 H61 DA A 9 -2.745 15.777 -10.295 1.00 0.58 H new ATOM 0 H62 DA A 9 -2.749 16.898 -8.929 1.00 0.58 H new ATOM 0 H2 DA A 9 -7.006 15.415 -11.627 1.00 0.50 H new ATOM 284 P DT A 10 -11.730 18.424 -5.650 1.00 0.40 P ATOM 285 OP1 DT A 10 -13.182 18.361 -5.367 1.00 0.47 O ATOM 286 OP2 DT A 10 -10.791 18.867 -4.595 1.00 0.45 O ATOM 287 O5' DT A 10 -11.257 16.974 -6.165 1.00 0.35 O ATOM 288 C5' DT A 10 -11.870 16.377 -7.310 1.00 0.34 C ATOM 289 C4' DT A 10 -11.012 15.249 -7.874 1.00 0.28 C ATOM 290 O4' DT A 10 -9.652 15.670 -7.919 1.00 0.26 O ATOM 291 C3' DT A 10 -11.056 13.959 -7.049 1.00 0.29 C ATOM 292 O3' DT A 10 -11.665 12.924 -7.829 1.00 0.30 O ATOM 293 C2' DT A 10 -9.594 13.605 -6.772 1.00 0.29 C ATOM 294 C1' DT A 10 -8.832 14.528 -7.712 1.00 0.25 C ATOM 295 N1 DT A 10 -7.539 14.996 -7.177 1.00 0.25 N ATOM 296 C2 DT A 10 -6.400 14.690 -7.897 1.00 0.26 C ATOM 297 O2 DT A 10 -6.443 14.058 -8.950 1.00 0.28 O ATOM 298 N3 DT A 10 -5.207 15.139 -7.363 1.00 0.30 N ATOM 299 C4 DT A 10 -5.058 15.859 -6.191 1.00 0.33 C ATOM 300 O4 DT A 10 -3.943 16.210 -5.808 1.00 0.39 O ATOM 301 C5 DT A 10 -6.301 16.133 -5.509 1.00 0.33 C ATOM 302 C7 DT A 10 -6.283 16.923 -4.203 1.00 0.40 C ATOM 303 C6 DT A 10 -7.478 15.704 -6.006 1.00 0.29 C ATOM 0 H5' DT A 10 -12.028 17.135 -8.077 1.00 0.34 H new ATOM 0 H5'' DT A 10 -12.852 15.989 -7.039 1.00 0.34 H new ATOM 0 H4' DT A 10 -11.421 15.032 -8.861 1.00 0.28 H new ATOM 0 H3' DT A 10 -11.627 14.074 -6.128 1.00 0.29 H new ATOM 0 H2' DT A 10 -9.327 13.781 -5.730 1.00 0.29 H new ATOM 0 H2'' DT A 10 -9.387 12.556 -6.981 1.00 0.29 H new ATOM 0 H1' DT A 10 -8.613 13.968 -8.621 1.00 0.25 H new ATOM 0 H3 DT A 10 -4.357 14.919 -7.882 1.00 0.30 H new ATOM 0 H71 DT A 10 -7.213 17.483 -4.104 1.00 0.40 H new ATOM 0 H72 DT A 10 -6.182 16.235 -3.363 1.00 0.40 H new ATOM 0 H73 DT A 10 -5.441 17.616 -4.208 1.00 0.40 H new ATOM 0 H6 DT A 10 -8.390 15.923 -5.471 1.00 0.29 H new ATOM 316 P DT A 11 -11.559 11.384 -7.373 1.00 0.33 P ATOM 317 OP1 DT A 11 -12.701 10.646 -7.957 1.00 0.43 O ATOM 318 OP2 DT A 11 -11.328 11.348 -5.912 1.00 0.39 O ATOM 319 O5' DT A 11 -10.213 10.893 -8.108 1.00 0.26 O ATOM 320 C5' DT A 11 -10.131 10.882 -9.537 1.00 0.23 C ATOM 321 C4' DT A 11 -8.847 10.214 -10.021 1.00 0.19 C ATOM 322 O4' DT A 11 -7.715 10.904 -9.482 1.00 0.17 O ATOM 323 C3' DT A 11 -8.721 8.743 -9.611 1.00 0.23 C ATOM 324 O3' DT A 11 -8.385 7.957 -10.761 1.00 0.28 O ATOM 325 C2' DT A 11 -7.569 8.722 -8.614 1.00 0.22 C ATOM 326 C1' DT A 11 -6.766 9.934 -9.048 1.00 0.19 C ATOM 327 N1 DT A 11 -5.957 10.541 -7.974 1.00 0.22 N ATOM 328 C2 DT A 11 -4.585 10.565 -8.144 1.00 0.28 C ATOM 329 O2 DT A 11 -4.043 10.100 -9.144 1.00 0.32 O ATOM 330 N3 DT A 11 -3.857 11.141 -7.119 1.00 0.33 N ATOM 331 C4 DT A 11 -4.376 11.688 -5.959 1.00 0.33 C ATOM 332 O4 DT A 11 -3.635 12.178 -5.111 1.00 0.39 O ATOM 333 C5 DT A 11 -5.817 11.619 -5.870 1.00 0.30 C ATOM 334 C7 DT A 11 -6.518 12.186 -4.641 1.00 0.35 C ATOM 335 C6 DT A 11 -6.549 11.061 -6.855 1.00 0.24 C ATOM 0 H5' DT A 11 -10.174 11.904 -9.912 1.00 0.23 H new ATOM 0 H5'' DT A 11 -10.993 10.356 -9.947 1.00 0.23 H new ATOM 0 H4' DT A 11 -8.883 10.259 -11.109 1.00 0.19 H new ATOM 0 H3' DT A 11 -9.642 8.340 -9.189 1.00 0.23 H new ATOM 0 H2' DT A 11 -7.917 8.808 -7.585 1.00 0.22 H new ATOM 0 H2'' DT A 11 -6.988 7.802 -8.678 1.00 0.22 H new ATOM 0 H1' DT A 11 -6.064 9.615 -9.818 1.00 0.19 H new ATOM 0 H3 DT A 11 -2.843 11.165 -7.228 1.00 0.33 H new ATOM 0 H71 DT A 11 -7.509 12.544 -4.920 1.00 0.35 H new ATOM 0 H72 DT A 11 -6.613 11.407 -3.884 1.00 0.35 H new ATOM 0 H73 DT A 11 -5.934 13.014 -4.238 1.00 0.35 H new ATOM 0 H6 DT A 11 -7.624 11.024 -6.759 1.00 0.24 H new ATOM 348 P DC A 12 -8.026 6.394 -10.608 1.00 0.37 P ATOM 349 OP1 DC A 12 -8.289 5.729 -11.904 1.00 0.47 O ATOM 350 OP2 DC A 12 -8.671 5.890 -9.376 1.00 0.41 O ATOM 351 O5' DC A 12 -6.434 6.420 -10.370 1.00 0.37 O ATOM 352 C5' DC A 12 -5.549 6.822 -11.419 1.00 0.36 C ATOM 353 C4' DC A 12 -4.089 6.726 -10.990 1.00 0.33 C ATOM 354 O4' DC A 12 -3.863 7.578 -9.862 1.00 0.33 O ATOM 355 C3' DC A 12 -3.652 5.313 -10.585 1.00 0.35 C ATOM 356 O3' DC A 12 -2.456 4.962 -11.294 1.00 0.39 O ATOM 357 C2' DC A 12 -3.360 5.418 -9.092 1.00 0.33 C ATOM 358 C1' DC A 12 -3.012 6.888 -8.954 1.00 0.31 C ATOM 359 N1 DC A 12 -3.234 7.447 -7.607 1.00 0.30 N ATOM 360 C2 DC A 12 -2.134 7.968 -6.943 1.00 0.31 C ATOM 361 O2 DC A 12 -1.027 7.942 -7.475 1.00 0.35 O ATOM 362 N3 DC A 12 -2.320 8.499 -5.704 1.00 0.32 N ATOM 363 C4 DC A 12 -3.534 8.516 -5.138 1.00 0.31 C ATOM 364 N4 DC A 12 -3.682 9.045 -3.923 1.00 0.33 N ATOM 365 C5 DC A 12 -4.672 7.978 -5.820 1.00 0.33 C ATOM 366 C6 DC A 12 -4.477 7.455 -7.045 1.00 0.32 C ATOM 0 H5' DC A 12 -5.775 7.847 -11.714 1.00 0.36 H new ATOM 0 H5'' DC A 12 -5.713 6.194 -12.295 1.00 0.36 H new ATOM 0 H4' DC A 12 -3.507 7.024 -11.862 1.00 0.33 H new ATOM 0 H3' DC A 12 -4.404 4.556 -10.809 1.00 0.35 H new ATOM 0 H2' DC A 12 -4.222 5.142 -8.485 1.00 0.33 H new ATOM 0 H2'' DC A 12 -2.537 4.771 -8.789 1.00 0.33 H new ATOM 0 H1' DC A 12 -1.947 7.003 -9.154 1.00 0.31 H new ATOM 0 H41 DC A 12 -4.602 9.063 -3.483 1.00 0.33 H new ATOM 0 H42 DC A 12 -2.875 9.432 -3.433 1.00 0.33 H new ATOM 0 H5 DC A 12 -5.653 7.991 -5.368 1.00 0.33 H new ATOM 0 H6 DC A 12 -5.312 7.038 -7.588 1.00 0.32 H new ATOM 378 P DG A 13 -1.829 3.484 -11.164 1.00 0.44 P ATOM 379 OP1 DG A 13 -1.125 3.166 -12.426 1.00 0.51 O ATOM 380 OP2 DG A 13 -2.884 2.578 -10.661 1.00 0.47 O ATOM 381 O5' DG A 13 -0.727 3.667 -10.004 1.00 0.39 O ATOM 382 C5' DG A 13 0.588 4.138 -10.317 1.00 0.39 C ATOM 383 C4' DG A 13 1.462 4.233 -9.069 1.00 0.36 C ATOM 384 O4' DG A 13 0.846 5.103 -8.112 1.00 0.38 O ATOM 385 C3' DG A 13 1.693 2.885 -8.374 1.00 0.30 C ATOM 386 O3' DG A 13 3.095 2.698 -8.154 1.00 0.29 O ATOM 387 C2' DG A 13 0.971 3.017 -7.038 1.00 0.29 C ATOM 388 C1' DG A 13 0.994 4.518 -6.822 1.00 0.31 C ATOM 389 N9 DG A 13 -0.097 5.018 -5.964 1.00 0.31 N ATOM 390 C8 DG A 13 -1.449 4.926 -6.161 1.00 0.35 C ATOM 391 N7 DG A 13 -2.162 5.465 -5.213 1.00 0.36 N ATOM 392 C5 DG A 13 -1.215 5.950 -4.318 1.00 0.32 C ATOM 393 C6 DG A 13 -1.396 6.636 -3.087 1.00 0.31 C ATOM 394 O6 DG A 13 -2.448 6.954 -2.538 1.00 0.36 O ATOM 395 N1 DG A 13 -0.180 6.948 -2.494 1.00 0.28 N ATOM 396 C2 DG A 13 1.058 6.639 -3.019 1.00 0.27 C ATOM 397 N2 DG A 13 2.115 7.021 -2.302 1.00 0.29 N ATOM 398 N3 DG A 13 1.231 5.994 -4.178 1.00 0.28 N ATOM 399 C4 DG A 13 0.054 5.681 -4.769 1.00 0.29 C ATOM 0 H5' DG A 13 0.521 5.117 -10.791 1.00 0.39 H new ATOM 0 H5'' DG A 13 1.054 3.466 -11.038 1.00 0.39 H new ATOM 0 H4' DG A 13 2.425 4.610 -9.412 1.00 0.36 H new ATOM 0 H3' DG A 13 1.333 2.039 -8.959 1.00 0.30 H new ATOM 0 H2' DG A 13 -0.045 2.625 -7.082 1.00 0.29 H new ATOM 0 H2'' DG A 13 1.485 2.481 -6.240 1.00 0.29 H new ATOM 0 H1' DG A 13 1.924 4.778 -6.317 1.00 0.31 H new ATOM 0 H8 DG A 13 -1.886 4.449 -7.026 1.00 0.35 H new ATOM 0 H1 DG A 13 -0.204 7.443 -1.603 1.00 0.28 H new ATOM 0 H21 DG A 13 3.058 6.822 -2.637 1.00 0.29 H new ATOM 0 H22 DG A 13 1.981 7.513 -1.418 1.00 0.29 H new ATOM 411 P DC A 14 3.642 1.354 -7.455 1.00 0.28 P ATOM 412 OP1 DC A 14 4.932 0.995 -8.086 1.00 0.35 O ATOM 413 OP2 DC A 14 2.538 0.369 -7.423 1.00 0.36 O ATOM 414 O5' DC A 14 3.935 1.833 -5.947 1.00 0.25 O ATOM 415 C5' DC A 14 5.026 2.713 -5.664 1.00 0.36 C ATOM 416 C4' DC A 14 5.170 2.965 -4.165 1.00 0.43 C ATOM 417 O4' DC A 14 3.962 3.525 -3.657 1.00 0.35 O ATOM 418 C3' DC A 14 5.459 1.702 -3.347 1.00 0.50 C ATOM 419 O3' DC A 14 6.728 1.835 -2.696 1.00 0.77 O ATOM 420 C2' DC A 14 4.348 1.644 -2.299 1.00 0.37 C ATOM 421 C1' DC A 14 3.798 3.059 -2.326 1.00 0.29 C ATOM 422 N1 DC A 14 2.368 3.161 -1.983 1.00 0.17 N ATOM 423 C2 DC A 14 2.039 3.779 -0.787 1.00 0.20 C ATOM 424 O2 DC A 14 2.926 4.221 -0.060 1.00 0.29 O ATOM 425 N3 DC A 14 0.723 3.878 -0.452 1.00 0.25 N ATOM 426 C4 DC A 14 -0.230 3.391 -1.257 1.00 0.31 C ATOM 427 N4 DC A 14 -1.509 3.502 -0.899 1.00 0.45 N ATOM 428 C5 DC A 14 0.105 2.753 -2.493 1.00 0.27 C ATOM 429 C6 DC A 14 1.410 2.660 -2.816 1.00 0.18 C ATOM 0 H5' DC A 14 4.873 3.661 -6.180 1.00 0.36 H new ATOM 0 H5'' DC A 14 5.950 2.284 -6.052 1.00 0.36 H new ATOM 0 H4' DC A 14 6.021 3.638 -4.062 1.00 0.43 H new ATOM 0 H3' DC A 14 5.489 0.805 -3.966 1.00 0.50 H new ATOM 0 H2' DC A 14 3.586 0.907 -2.555 1.00 0.37 H new ATOM 0 H2'' DC A 14 4.732 1.376 -1.315 1.00 0.37 H new ATOM 0 H1' DC A 14 4.335 3.642 -1.577 1.00 0.29 H new ATOM 0 H41 DC A 14 -2.242 3.134 -1.505 1.00 0.45 H new ATOM 0 H42 DC A 14 -1.755 3.955 -0.019 1.00 0.45 H new ATOM 0 H5 DC A 14 -0.661 2.360 -3.144 1.00 0.27 H new ATOM 0 H6 DC A 14 1.700 2.185 -3.742 1.00 0.18 H new ATOM 441 P DG A 15 7.224 0.730 -1.634 1.00 0.98 P ATOM 442 OP1 DG A 15 8.702 0.669 -1.682 1.00 1.19 O ATOM 443 OP2 DG A 15 6.429 -0.501 -1.844 1.00 0.95 O ATOM 444 O5' DG A 15 6.790 1.375 -0.224 1.00 1.05 O ATOM 445 C5' DG A 15 7.436 2.555 0.262 1.00 1.23 C ATOM 446 C4' DG A 15 7.158 2.779 1.746 1.00 1.34 C ATOM 447 O4' DG A 15 5.747 2.932 1.953 1.00 1.12 O ATOM 448 C3' DG A 15 7.613 1.628 2.640 1.00 1.51 C ATOM 449 O3' DG A 15 8.076 2.108 3.907 1.00 1.73 O ATOM 450 C2' DG A 15 6.348 0.807 2.791 1.00 1.34 C ATOM 451 C1' DG A 15 5.303 1.905 2.845 1.00 1.12 C ATOM 452 N9 DG A 15 3.957 1.485 2.417 1.00 0.86 N ATOM 453 C8 DG A 15 3.594 0.768 1.307 1.00 0.76 C ATOM 454 N7 DG A 15 2.311 0.564 1.204 1.00 0.61 N ATOM 455 C5 DG A 15 1.781 1.188 2.328 1.00 0.54 C ATOM 456 C6 DG A 15 0.430 1.299 2.756 1.00 0.43 C ATOM 457 O6 DG A 15 -0.580 0.858 2.213 1.00 0.51 O ATOM 458 N1 DG A 15 0.330 2.009 3.944 1.00 0.40 N ATOM 459 C2 DG A 15 1.394 2.549 4.637 1.00 0.56 C ATOM 460 N2 DG A 15 1.099 3.199 5.763 1.00 0.59 N ATOM 461 N3 DG A 15 2.664 2.446 4.235 1.00 0.74 N ATOM 462 C4 DG A 15 2.782 1.755 3.077 1.00 0.69 C ATOM 0 H5' DG A 15 7.093 3.419 -0.307 1.00 1.23 H new ATOM 0 H5'' DG A 15 8.511 2.474 0.101 1.00 1.23 H new ATOM 0 H4' DG A 15 7.723 3.670 2.018 1.00 1.34 H new ATOM 0 H3' DG A 15 8.449 1.063 2.228 1.00 1.51 H new ATOM 0 H2' DG A 15 6.192 0.129 1.952 1.00 1.34 H new ATOM 0 H2'' DG A 15 6.355 0.198 3.695 1.00 1.34 H new ATOM 0 HO3' DG A 15 8.360 1.350 4.460 1.00 1.73 H new ATOM 0 H1' DG A 15 5.209 2.223 3.883 1.00 1.12 H new ATOM 0 H8 DG A 15 4.307 0.404 0.582 1.00 0.76 H new ATOM 0 H1 DG A 15 -0.602 2.142 4.335 1.00 0.40 H new ATOM 0 H21 DG A 15 1.843 3.620 6.319 1.00 0.59 H new ATOM 0 H22 DG A 15 0.129 3.275 6.069 1.00 0.59 H new TER 475 DG A 15