USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 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 52:sc= 1.67 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0185 (180deg=-0.0185) USER MOD Single : A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.644) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.97 (180deg=-0.97) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.125 (180deg=-0.125) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 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 -1.887 8.041 -0.394 1.00 0.00 O ATOM 2 C5' DG A 1 -2.554 9.195 0.127 1.00 0.00 C ATOM 3 C4' DG A 1 -2.427 9.326 1.654 1.00 0.00 C ATOM 4 O4' DG A 1 -2.982 8.203 2.369 1.00 0.00 O ATOM 5 C3' DG A 1 -1.005 9.470 2.144 1.00 0.00 C ATOM 6 O3' DG A 1 -0.897 10.354 3.266 1.00 0.00 O ATOM 7 C2' DG A 1 -0.663 8.069 2.509 1.00 0.00 C ATOM 8 C1' DG A 1 -1.929 7.613 3.157 1.00 0.00 C ATOM 9 N9 DG A 1 -1.965 6.145 3.244 1.00 0.00 N ATOM 10 C8 DG A 1 -1.640 5.353 4.290 1.00 0.00 C ATOM 11 N7 DG A 1 -1.750 4.069 4.101 1.00 0.00 N ATOM 12 C5 DG A 1 -2.199 4.006 2.780 1.00 0.00 C ATOM 13 C6 DG A 1 -2.512 2.881 1.969 1.00 0.00 C ATOM 14 O6 DG A 1 -2.455 1.692 2.265 1.00 0.00 O ATOM 15 N1 DG A 1 -2.927 3.260 0.701 1.00 0.00 N ATOM 16 C2 DG A 1 -3.026 4.571 0.269 1.00 0.00 C ATOM 17 N2 DG A 1 -3.440 4.794 -0.971 1.00 0.00 N ATOM 18 N3 DG A 1 -2.732 5.623 1.025 1.00 0.00 N ATOM 19 C4 DG A 1 -2.329 5.270 2.259 1.00 0.00 C ATOM 0 H5' DG A 1 -3.609 9.150 -0.141 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.144 10.088 -0.344 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.989 10.237 1.859 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.337 9.911 1.404 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.409 7.468 1.636 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.187 8.018 3.189 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.182 7.244 0.095 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.033 7.932 4.194 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.307 5.763 5.232 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.176 2.522 0.042 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.523 5.750 -1.317 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.676 4.009 -1.579 1.00 0.00 H new ATOM 32 P DG A 2 0.423 11.258 3.454 1.00 0.00 P ATOM 33 OP1 DG A 2 0.240 12.086 4.668 1.00 0.00 O ATOM 34 OP2 DG A 2 0.723 11.907 2.159 1.00 0.00 O ATOM 35 O5' DG A 2 1.570 10.160 3.738 1.00 0.00 O ATOM 36 C5' DG A 2 1.794 9.610 5.040 1.00 0.00 C ATOM 37 C4' DG A 2 2.632 8.337 4.987 1.00 0.00 C ATOM 38 O4' DG A 2 1.953 7.244 4.363 1.00 0.00 O ATOM 39 C3' DG A 2 3.989 8.517 4.302 1.00 0.00 C ATOM 40 O3' DG A 2 4.986 8.472 5.339 1.00 0.00 O ATOM 41 C2' DG A 2 3.950 7.370 3.285 1.00 0.00 C ATOM 42 C1' DG A 2 2.979 6.382 3.873 1.00 0.00 C ATOM 43 N9 DG A 2 2.434 5.495 2.856 1.00 0.00 N ATOM 44 C8 DG A 2 2.024 5.825 1.624 1.00 0.00 C ATOM 45 N7 DG A 2 1.587 4.848 0.886 1.00 0.00 N ATOM 46 C5 DG A 2 1.726 3.752 1.738 1.00 0.00 C ATOM 47 C6 DG A 2 1.422 2.382 1.528 1.00 0.00 C ATOM 48 O6 DG A 2 0.956 1.861 0.519 1.00 0.00 O ATOM 49 N1 DG A 2 1.716 1.612 2.649 1.00 0.00 N ATOM 50 C2 DG A 2 2.239 2.111 3.833 1.00 0.00 C ATOM 51 N2 DG A 2 2.463 1.270 4.839 1.00 0.00 N ATOM 52 N3 DG A 2 2.522 3.396 4.024 1.00 0.00 N ATOM 53 C4 DG A 2 2.243 4.149 2.944 1.00 0.00 C ATOM 0 H5' DG A 2 0.836 9.393 5.512 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.297 10.349 5.664 1.00 0.00 H new ATOM 0 H4' DG A 2 2.803 8.104 6.038 1.00 0.00 H new ATOM 0 H3' DG A 2 4.216 9.446 3.779 1.00 0.00 H new ATOM 0 H2' DG A 2 3.619 7.718 2.306 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.936 6.926 3.149 1.00 0.00 H new ATOM 0 H1' DG A 2 3.429 5.729 4.621 1.00 0.00 H new ATOM 0 H8 DG A 2 2.055 6.843 1.265 1.00 0.00 H new ATOM 0 H1 DG A 2 1.534 0.610 2.596 1.00 0.00 H new ATOM 0 H21 DG A 2 2.847 1.617 5.718 1.00 0.00 H new ATOM 0 H22 DG A 2 2.251 0.278 4.731 1.00 0.00 H new ATOM 65 P DT A 3 6.311 7.551 5.382 1.00 0.00 P ATOM 66 OP1 DT A 3 5.904 6.143 5.176 1.00 0.00 O ATOM 67 OP2 DT A 3 7.091 7.920 6.585 1.00 0.00 O ATOM 68 O5' DT A 3 7.118 8.046 4.075 1.00 0.00 O ATOM 69 C5' DT A 3 7.442 9.424 3.839 1.00 0.00 C ATOM 70 C4' DT A 3 7.805 9.702 2.373 1.00 0.00 C ATOM 71 O4' DT A 3 9.050 9.099 1.988 1.00 0.00 O ATOM 72 C3' DT A 3 6.726 9.224 1.387 1.00 0.00 C ATOM 73 O3' DT A 3 6.439 10.106 0.294 1.00 0.00 O ATOM 74 C2' DT A 3 7.320 7.961 0.818 1.00 0.00 C ATOM 75 C1' DT A 3 8.811 7.976 1.125 1.00 0.00 C ATOM 76 N1 DT A 3 9.316 6.690 1.686 1.00 0.00 N ATOM 77 C2 DT A 3 10.303 6.003 0.988 1.00 0.00 C ATOM 78 O2 DT A 3 10.774 6.406 -0.074 1.00 0.00 O ATOM 79 N3 DT A 3 10.738 4.816 1.558 1.00 0.00 N ATOM 80 C4 DT A 3 10.286 4.264 2.744 1.00 0.00 C ATOM 81 O4 DT A 3 10.752 3.201 3.152 1.00 0.00 O ATOM 82 C5 DT A 3 9.263 5.051 3.402 1.00 0.00 C ATOM 83 C7 DT A 3 8.658 4.585 4.728 1.00 0.00 C ATOM 84 C6 DT A 3 8.824 6.203 2.864 1.00 0.00 C ATOM 0 H5' DT A 3 8.278 9.712 4.477 1.00 0.00 H new ATOM 0 H5'' DT A 3 6.594 10.047 4.124 1.00 0.00 H new ATOM 0 H4' DT A 3 7.889 10.787 2.319 1.00 0.00 H new ATOM 0 H3' DT A 3 5.777 9.131 1.915 1.00 0.00 H new ATOM 0 H2' DT A 3 6.847 7.083 1.258 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.151 7.909 -0.258 1.00 0.00 H new ATOM 0 H1' DT A 3 9.377 8.084 0.200 1.00 0.00 H new ATOM 0 H3 DT A 3 11.460 4.300 1.055 1.00 0.00 H new ATOM 0 H71 DT A 3 8.355 5.452 5.315 1.00 0.00 H new ATOM 0 H72 DT A 3 7.788 3.959 4.531 1.00 0.00 H new ATOM 0 H73 DT A 3 9.399 4.012 5.285 1.00 0.00 H new ATOM 0 H6 DT A 3 8.057 6.762 3.380 1.00 0.00 H new ATOM 97 P DT A 4 4.955 10.145 -0.365 1.00 0.00 P ATOM 98 OP1 DT A 4 4.980 11.160 -1.442 1.00 0.00 O ATOM 99 OP2 DT A 4 3.976 10.280 0.738 1.00 0.00 O ATOM 100 O5' DT A 4 4.725 8.684 -1.044 1.00 0.00 O ATOM 101 C5' DT A 4 4.982 8.411 -2.432 1.00 0.00 C ATOM 102 C4' DT A 4 4.314 7.107 -2.931 1.00 0.00 C ATOM 103 O4' DT A 4 4.845 5.890 -2.431 1.00 0.00 O ATOM 104 C3' DT A 4 2.785 7.033 -2.821 1.00 0.00 C ATOM 105 O3' DT A 4 2.021 7.057 -4.040 1.00 0.00 O ATOM 106 C2' DT A 4 2.623 5.707 -2.162 1.00 0.00 C ATOM 107 C1' DT A 4 3.811 4.894 -2.570 1.00 0.00 C ATOM 108 N1 DT A 4 4.054 3.840 -1.574 1.00 0.00 N ATOM 109 C2 DT A 4 3.691 2.527 -1.799 1.00 0.00 C ATOM 110 O2 DT A 4 3.139 2.148 -2.829 1.00 0.00 O ATOM 111 N3 DT A 4 3.991 1.647 -0.773 1.00 0.00 N ATOM 112 C4 DT A 4 4.608 1.972 0.430 1.00 0.00 C ATOM 113 O4 DT A 4 4.822 1.101 1.272 1.00 0.00 O ATOM 114 C5 DT A 4 4.946 3.380 0.561 1.00 0.00 C ATOM 115 C7 DT A 4 5.638 3.894 1.833 1.00 0.00 C ATOM 116 C6 DT A 4 4.656 4.237 -0.438 1.00 0.00 C ATOM 0 H5' DT A 4 6.059 8.343 -2.589 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.624 9.248 -3.032 1.00 0.00 H new ATOM 0 H4' DT A 4 4.583 7.197 -3.984 1.00 0.00 H new ATOM 0 H3' DT A 4 2.403 7.917 -2.311 1.00 0.00 H new ATOM 0 H2' DT A 4 2.577 5.813 -1.078 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.696 5.227 -2.475 1.00 0.00 H new ATOM 0 H1' DT A 4 3.729 4.413 -3.544 1.00 0.00 H new ATOM 0 H3 DT A 4 3.736 0.669 -0.913 1.00 0.00 H new ATOM 0 H71 DT A 4 5.337 3.282 2.683 1.00 0.00 H new ATOM 0 H72 DT A 4 6.719 3.835 1.708 1.00 0.00 H new ATOM 0 H73 DT A 4 5.349 4.930 2.011 1.00 0.00 H new ATOM 0 H6 DT A 4 4.916 5.279 -0.323 1.00 0.00 H new ATOM 129 P DG A 5 1.725 8.396 -4.889 1.00 0.00 P ATOM 130 OP1 DG A 5 2.895 8.632 -5.764 1.00 0.00 O ATOM 131 OP2 DG A 5 1.294 9.449 -3.942 1.00 0.00 O ATOM 132 O5' DG A 5 0.455 7.992 -5.830 1.00 0.00 O ATOM 133 C5' DG A 5 -0.921 8.053 -5.396 1.00 0.00 C ATOM 134 C4' DG A 5 -1.868 7.256 -6.321 1.00 0.00 C ATOM 135 O4' DG A 5 -1.423 5.897 -6.396 1.00 0.00 O ATOM 136 C3' DG A 5 -3.364 7.116 -5.965 1.00 0.00 C ATOM 137 O3' DG A 5 -4.017 6.947 -7.242 1.00 0.00 O ATOM 138 C2' DG A 5 -3.401 5.923 -5.071 1.00 0.00 C ATOM 139 C1' DG A 5 -2.469 5.049 -5.883 1.00 0.00 C ATOM 140 N9 DG A 5 -1.836 3.941 -5.199 1.00 0.00 N ATOM 141 C8 DG A 5 -1.656 2.706 -5.691 1.00 0.00 C ATOM 142 N7 DG A 5 -1.034 1.867 -4.925 1.00 0.00 N ATOM 143 C5 DG A 5 -0.779 2.646 -3.798 1.00 0.00 C ATOM 144 C6 DG A 5 -0.124 2.301 -2.601 1.00 0.00 C ATOM 145 O6 DG A 5 0.370 1.221 -2.304 1.00 0.00 O ATOM 146 N1 DG A 5 -0.075 3.365 -1.721 1.00 0.00 N ATOM 147 C2 DG A 5 -0.598 4.620 -1.960 1.00 0.00 C ATOM 148 N2 DG A 5 -0.472 5.503 -0.974 1.00 0.00 N ATOM 149 N3 DG A 5 -1.218 4.955 -3.090 1.00 0.00 N ATOM 150 C4 DG A 5 -1.269 3.919 -3.958 1.00 0.00 C ATOM 0 H5' DG A 5 -1.242 9.094 -5.362 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.996 7.663 -4.381 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.815 7.865 -7.224 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.855 7.942 -5.450 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.030 6.128 -4.067 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.399 5.500 -4.962 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.103 4.585 -6.639 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.010 2.427 -6.672 1.00 0.00 H new ATOM 0 H1 DG A 5 0.384 3.211 -0.823 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.837 6.449 -1.087 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.010 5.235 -0.105 1.00 0.00 H new ATOM 162 P DG A 6 -5.578 6.634 -7.472 1.00 0.00 P ATOM 163 OP1 DG A 6 -5.879 6.803 -8.913 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.364 7.377 -6.462 1.00 0.00 O ATOM 165 O5' DG A 6 -5.630 5.068 -7.098 1.00 0.00 O ATOM 166 C5' DG A 6 -5.385 4.025 -8.044 1.00 0.00 C ATOM 167 C4' DG A 6 -5.703 2.664 -7.429 1.00 0.00 C ATOM 168 O4' DG A 6 -4.743 2.231 -6.458 1.00 0.00 O ATOM 169 C3' DG A 6 -7.123 2.454 -6.871 1.00 0.00 C ATOM 170 O3' DG A 6 -7.696 1.317 -7.462 1.00 0.00 O ATOM 171 C2' DG A 6 -6.698 2.223 -5.466 1.00 0.00 C ATOM 172 C1' DG A 6 -5.440 1.468 -5.479 1.00 0.00 C ATOM 173 N9 DG A 6 -4.757 1.518 -4.201 1.00 0.00 N ATOM 174 C8 DG A 6 -4.452 2.605 -3.484 1.00 0.00 C ATOM 175 N7 DG A 6 -3.854 2.407 -2.364 1.00 0.00 N ATOM 176 C5 DG A 6 -3.755 1.028 -2.334 1.00 0.00 C ATOM 177 C6 DG A 6 -3.196 0.200 -1.358 1.00 0.00 C ATOM 178 O6 DG A 6 -2.683 0.545 -0.295 1.00 0.00 O ATOM 179 N1 DG A 6 -3.291 -1.141 -1.719 1.00 0.00 N ATOM 180 C2 DG A 6 -3.864 -1.632 -2.884 1.00 0.00 C ATOM 181 N2 DG A 6 -3.868 -2.955 -3.110 1.00 0.00 N ATOM 182 N3 DG A 6 -4.400 -0.829 -3.799 1.00 0.00 N ATOM 183 C4 DG A 6 -4.305 0.473 -3.460 1.00 0.00 C ATOM 0 H5' DG A 6 -4.343 4.052 -8.364 1.00 0.00 H new ATOM 0 H5'' DG A 6 -5.996 4.181 -8.933 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.642 2.034 -8.316 1.00 0.00 H new ATOM 0 H3' DG A 6 -7.872 3.231 -7.023 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.564 3.173 -4.949 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.466 1.671 -4.924 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.542 0.401 -5.678 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.696 3.599 -3.829 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.904 -1.825 -1.068 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.287 -3.325 -3.963 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.452 -3.590 -2.429 1.00 0.00 H new ATOM 195 P DT A 7 -8.326 1.237 -8.938 1.00 0.00 P ATOM 196 OP1 DT A 7 -7.295 0.775 -9.894 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.189 2.402 -9.243 1.00 0.00 O ATOM 198 O5' DT A 7 -9.201 0.011 -8.416 1.00 0.00 O ATOM 199 C5' DT A 7 -10.351 0.200 -7.590 1.00 0.00 C ATOM 200 C4' DT A 7 -10.489 -0.892 -6.528 1.00 0.00 C ATOM 201 O4' DT A 7 -10.359 -2.184 -7.119 1.00 0.00 O ATOM 202 C3' DT A 7 -9.602 -0.790 -5.274 1.00 0.00 C ATOM 203 O3' DT A 7 -10.268 -1.457 -4.193 1.00 0.00 O ATOM 204 C2' DT A 7 -8.515 -1.715 -5.736 1.00 0.00 C ATOM 205 C1' DT A 7 -9.231 -2.824 -6.529 1.00 0.00 C ATOM 206 N1 DT A 7 -8.443 -3.307 -7.678 1.00 0.00 N ATOM 207 C2 DT A 7 -8.050 -4.637 -7.702 1.00 0.00 C ATOM 208 O2 DT A 7 -8.304 -5.428 -6.794 1.00 0.00 O ATOM 209 N3 DT A 7 -7.345 -5.032 -8.820 1.00 0.00 N ATOM 210 C4 DT A 7 -7.004 -4.225 -9.896 1.00 0.00 C ATOM 211 O4 DT A 7 -6.372 -4.694 -10.840 1.00 0.00 O ATOM 212 C5 DT A 7 -7.453 -2.849 -9.791 1.00 0.00 C ATOM 213 C7 DT A 7 -7.128 -1.882 -10.949 1.00 0.00 C ATOM 214 C6 DT A 7 -8.148 -2.442 -8.697 1.00 0.00 C ATOM 0 H5' DT A 7 -11.245 0.213 -8.213 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.289 1.173 -7.102 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.493 -0.726 -6.138 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.326 0.214 -4.951 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.792 -1.190 -6.360 1.00 0.00 H new ATOM 0 H2'' DT A 7 -7.966 -2.129 -4.890 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.437 -3.658 -5.857 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.047 -6.007 -8.859 1.00 0.00 H new ATOM 0 H71 DT A 7 -7.907 -1.123 -11.018 1.00 0.00 H new ATOM 0 H72 DT A 7 -6.168 -1.401 -10.763 1.00 0.00 H new ATOM 0 H73 DT A 7 -7.079 -2.439 -11.885 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.475 -1.415 -8.630 1.00 0.00 H new ATOM 227 P DG A 8 -10.456 -0.834 -2.732 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.406 -1.692 -1.987 1.00 0.00 O ATOM 229 OP2 DG A 8 -10.741 0.607 -2.906 1.00 0.00 O ATOM 230 O5' DG A 8 -8.994 -0.961 -2.070 1.00 0.00 O ATOM 231 C5' DG A 8 -8.471 -2.055 -1.297 1.00 0.00 C ATOM 232 C4' DG A 8 -7.458 -1.445 -0.277 1.00 0.00 C ATOM 233 O4' DG A 8 -6.362 -0.591 -0.681 1.00 0.00 O ATOM 234 C3' DG A 8 -8.022 -0.938 1.027 1.00 0.00 C ATOM 235 O3' DG A 8 -7.414 -1.660 2.094 1.00 0.00 O ATOM 236 C2' DG A 8 -7.595 0.468 0.881 1.00 0.00 C ATOM 237 C1' DG A 8 -6.233 0.531 0.235 1.00 0.00 C ATOM 238 N9 DG A 8 -6.427 1.701 -0.638 1.00 0.00 N ATOM 239 C8 DG A 8 -6.810 1.650 -1.919 1.00 0.00 C ATOM 240 N7 DG A 8 -6.991 2.774 -2.538 1.00 0.00 N ATOM 241 C5 DG A 8 -6.683 3.686 -1.525 1.00 0.00 C ATOM 242 C6 DG A 8 -6.683 5.104 -1.545 1.00 0.00 C ATOM 243 O6 DG A 8 -6.963 5.858 -2.473 1.00 0.00 O ATOM 244 N1 DG A 8 -6.313 5.628 -0.316 1.00 0.00 N ATOM 245 C2 DG A 8 -5.984 4.885 0.798 1.00 0.00 C ATOM 246 N2 DG A 8 -5.651 5.577 1.884 1.00 0.00 N ATOM 247 N3 DG A 8 -5.982 3.554 0.824 1.00 0.00 N ATOM 248 C4 DG A 8 -6.338 3.029 -0.364 1.00 0.00 C ATOM 0 H5' DG A 8 -7.979 -2.783 -1.942 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.273 -2.580 -0.778 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.978 -2.416 -0.154 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.086 -1.045 1.236 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.319 1.015 0.277 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.566 0.951 1.858 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.343 0.546 0.864 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.963 0.705 -2.420 1.00 0.00 H new ATOM 0 H1 DG A 8 -6.282 6.644 -0.229 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.397 5.088 2.742 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.650 6.597 1.858 1.00 0.00 H new ATOM 260 P DT A 9 -8.004 -3.118 2.477 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.852 -3.600 1.363 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.583 -3.015 3.836 1.00 0.00 O ATOM 263 O5' DT A 9 -6.692 -4.054 2.541 1.00 0.00 O ATOM 264 C5' DT A 9 -5.981 -4.753 1.491 1.00 0.00 C ATOM 265 C4' DT A 9 -4.611 -5.290 2.194 1.00 0.00 C ATOM 266 O4' DT A 9 -3.863 -4.216 2.839 1.00 0.00 O ATOM 267 C3' DT A 9 -4.627 -6.366 3.360 1.00 0.00 C ATOM 268 O3' DT A 9 -3.539 -7.314 3.282 1.00 0.00 O ATOM 269 C2' DT A 9 -4.607 -5.503 4.632 1.00 0.00 C ATOM 270 C1' DT A 9 -3.612 -4.412 4.270 1.00 0.00 C ATOM 271 N1 DT A 9 -3.832 -3.147 5.016 1.00 0.00 N ATOM 272 C2 DT A 9 -3.140 -2.923 6.202 1.00 0.00 C ATOM 273 O2 DT A 9 -2.359 -3.741 6.688 1.00 0.00 O ATOM 274 N3 DT A 9 -3.390 -1.705 6.817 1.00 0.00 N ATOM 275 C4 DT A 9 -4.255 -0.719 6.352 1.00 0.00 C ATOM 276 O4 DT A 9 -4.394 0.324 6.983 1.00 0.00 O ATOM 277 C5 DT A 9 -4.929 -1.046 5.109 1.00 0.00 C ATOM 278 C7 DT A 9 -5.913 -0.063 4.439 1.00 0.00 C ATOM 279 C6 DT A 9 -4.691 -2.223 4.511 1.00 0.00 C ATOM 0 H5' DT A 9 -5.761 -4.090 0.654 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.572 -5.579 1.096 1.00 0.00 H new ATOM 0 H4' DT A 9 -4.205 -5.756 1.296 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.497 -7.021 3.317 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.591 -5.095 4.862 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.286 -6.072 5.504 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.589 -4.694 4.518 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.895 -1.515 7.689 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.893 -0.208 3.359 1.00 0.00 H new ATOM 0 H72 DT A 9 -6.921 -0.247 4.811 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.621 0.961 4.673 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.205 -2.446 3.588 1.00 0.00 H new ATOM 292 P DG A 10 -3.794 -8.768 2.578 1.00 0.00 P ATOM 293 OP1 DG A 10 -5.253 -9.006 2.535 1.00 0.00 O ATOM 294 OP2 DG A 10 -2.922 -9.778 3.223 1.00 0.00 O ATOM 295 O5' DG A 10 -3.327 -8.565 1.042 1.00 0.00 O ATOM 296 C5' DG A 10 -1.974 -8.761 0.643 1.00 0.00 C ATOM 297 C4' DG A 10 -1.793 -8.697 -0.911 1.00 0.00 C ATOM 298 O4' DG A 10 -2.207 -7.434 -1.457 1.00 0.00 O ATOM 299 C3' DG A 10 -0.403 -8.974 -1.572 1.00 0.00 C ATOM 300 O3' DG A 10 -0.533 -9.868 -2.703 1.00 0.00 O ATOM 301 C2' DG A 10 0.059 -7.632 -2.069 1.00 0.00 C ATOM 302 C1' DG A 10 -1.287 -7.056 -2.496 1.00 0.00 C ATOM 303 N9 DG A 10 -1.227 -5.603 -2.574 1.00 0.00 N ATOM 304 C8 DG A 10 -1.443 -4.800 -3.633 1.00 0.00 C ATOM 305 N7 DG A 10 -1.324 -3.525 -3.409 1.00 0.00 N ATOM 306 C5 DG A 10 -0.994 -3.490 -2.056 1.00 0.00 C ATOM 307 C6 DG A 10 -0.733 -2.392 -1.207 1.00 0.00 C ATOM 308 O6 DG A 10 -0.753 -1.199 -1.473 1.00 0.00 O ATOM 309 N1 DG A 10 -0.440 -2.780 0.076 1.00 0.00 N ATOM 310 C2 DG A 10 -0.401 -4.094 0.513 1.00 0.00 C ATOM 311 N2 DG A 10 -0.095 -4.346 1.782 1.00 0.00 N ATOM 312 N3 DG A 10 -0.648 -5.133 -0.283 1.00 0.00 N ATOM 313 C4 DG A 10 -0.934 -4.756 -1.544 1.00 0.00 C ATOM 0 H5' DG A 10 -1.628 -9.728 1.007 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.347 -8.002 1.110 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.421 -9.553 -1.157 1.00 0.00 H new ATOM 0 H3' DG A 10 0.285 -9.437 -0.865 1.00 0.00 H new ATOM 0 H2' DG A 10 0.543 -7.040 -1.292 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.765 -7.710 -2.896 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.581 -7.426 -3.478 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.699 -5.190 -4.607 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.236 -2.048 0.757 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.063 -5.309 2.117 1.00 0.00 H new ATOM 0 H22 DG A 10 0.107 -3.577 2.420 1.00 0.00 H new ATOM 325 P DG A 11 0.736 -10.439 -3.550 1.00 0.00 P ATOM 326 OP1 DG A 11 0.266 -11.583 -4.366 1.00 0.00 O ATOM 327 OP2 DG A 11 1.852 -10.638 -2.598 1.00 0.00 O ATOM 328 O5' DG A 11 1.159 -9.235 -4.559 1.00 0.00 O ATOM 329 C5' DG A 11 0.528 -9.030 -5.837 1.00 0.00 C ATOM 330 C4' DG A 11 0.997 -7.762 -6.578 1.00 0.00 C ATOM 331 O4' DG A 11 0.659 -6.564 -5.876 1.00 0.00 O ATOM 332 C3' DG A 11 2.474 -7.676 -7.002 1.00 0.00 C ATOM 333 O3' DG A 11 2.497 -7.589 -8.428 1.00 0.00 O ATOM 334 C2' DG A 11 2.948 -6.393 -6.336 1.00 0.00 C ATOM 335 C1' DG A 11 1.689 -5.601 -6.104 1.00 0.00 C ATOM 336 N9 DG A 11 1.826 -4.840 -4.875 1.00 0.00 N ATOM 337 C8 DG A 11 2.313 -5.280 -3.704 1.00 0.00 C ATOM 338 N7 DG A 11 2.376 -4.415 -2.737 1.00 0.00 N ATOM 339 C5 DG A 11 1.861 -3.275 -3.363 1.00 0.00 C ATOM 340 C6 DG A 11 1.659 -1.979 -2.852 1.00 0.00 C ATOM 341 O6 DG A 11 1.923 -1.557 -1.733 1.00 0.00 O ATOM 342 N1 DG A 11 1.115 -1.130 -3.797 1.00 0.00 N ATOM 343 C2 DG A 11 0.800 -1.475 -5.092 1.00 0.00 C ATOM 344 N2 DG A 11 0.270 -0.526 -5.861 1.00 0.00 N ATOM 345 N3 DG A 11 0.994 -2.696 -5.586 1.00 0.00 N ATOM 346 C4 DG A 11 1.522 -3.534 -4.667 1.00 0.00 C ATOM 0 H5' DG A 11 -0.551 -8.974 -5.692 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.720 -9.898 -6.468 1.00 0.00 H new ATOM 0 H4' DG A 11 0.437 -7.858 -7.508 1.00 0.00 H new ATOM 0 H3' DG A 11 3.103 -8.520 -6.719 1.00 0.00 H new ATOM 0 H2' DG A 11 3.465 -6.600 -5.399 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.647 -5.850 -6.973 1.00 0.00 H new ATOM 0 H1' DG A 11 1.483 -4.936 -6.942 1.00 0.00 H new ATOM 0 H8 DG A 11 2.636 -6.302 -3.572 1.00 0.00 H new ATOM 0 H1 DG A 11 0.932 -0.168 -3.511 1.00 0.00 H new ATOM 0 H21 DG A 11 0.020 -0.734 -6.828 1.00 0.00 H new ATOM 0 H22 DG A 11 0.114 0.409 -5.483 1.00 0.00 H new ATOM 358 P DT A 12 2.919 -8.825 -9.370 1.00 0.00 P ATOM 359 OP1 DT A 12 2.434 -8.548 -10.741 1.00 0.00 O ATOM 360 OP2 DT A 12 2.557 -10.094 -8.696 1.00 0.00 O ATOM 361 O5' DT A 12 4.515 -8.632 -9.336 1.00 0.00 O ATOM 362 C5' DT A 12 5.467 -9.453 -8.643 1.00 0.00 C ATOM 363 C4' DT A 12 6.649 -8.592 -8.178 1.00 0.00 C ATOM 364 O4' DT A 12 7.014 -7.733 -9.273 1.00 0.00 O ATOM 365 C3' DT A 12 6.228 -7.677 -7.021 1.00 0.00 C ATOM 366 O3' DT A 12 6.645 -8.250 -5.775 1.00 0.00 O ATOM 367 C2' DT A 12 7.052 -6.436 -7.279 1.00 0.00 C ATOM 368 C1' DT A 12 7.379 -6.445 -8.762 1.00 0.00 C ATOM 369 N1 DT A 12 6.832 -5.282 -9.517 1.00 0.00 N ATOM 370 C2 DT A 12 7.725 -4.249 -9.793 1.00 0.00 C ATOM 371 O2 DT A 12 8.906 -4.282 -9.450 1.00 0.00 O ATOM 372 N3 DT A 12 7.219 -3.166 -10.487 1.00 0.00 N ATOM 373 C4 DT A 12 5.918 -3.019 -10.928 1.00 0.00 C ATOM 374 O4 DT A 12 5.585 -2.005 -11.539 1.00 0.00 O ATOM 375 C5 DT A 12 5.049 -4.137 -10.603 1.00 0.00 C ATOM 376 C7 DT A 12 3.580 -4.083 -11.040 1.00 0.00 C ATOM 377 C6 DT A 12 5.516 -5.215 -9.923 1.00 0.00 C ATOM 0 H5' DT A 12 5.820 -10.250 -9.298 1.00 0.00 H new ATOM 0 H5'' DT A 12 4.993 -9.932 -7.786 1.00 0.00 H new ATOM 0 H4' DT A 12 7.463 -9.243 -7.859 1.00 0.00 H new ATOM 0 H3' DT A 12 5.153 -7.507 -6.967 1.00 0.00 H new ATOM 0 H2' DT A 12 6.498 -5.537 -7.008 1.00 0.00 H new ATOM 0 H2'' DT A 12 7.962 -6.442 -6.680 1.00 0.00 H new ATOM 0 H1' DT A 12 8.450 -6.301 -8.907 1.00 0.00 H new ATOM 0 H3 DT A 12 7.866 -2.405 -10.693 1.00 0.00 H new ATOM 0 H71 DT A 12 3.217 -5.095 -11.222 1.00 0.00 H new ATOM 0 H72 DT A 12 2.984 -3.619 -10.255 1.00 0.00 H new ATOM 0 H73 DT A 12 3.494 -3.497 -11.955 1.00 0.00 H new ATOM 0 H6 DT A 12 4.847 -6.032 -9.697 1.00 0.00 H new ATOM 390 P DT A 13 5.951 -7.979 -4.339 1.00 0.00 P ATOM 391 OP1 DT A 13 6.532 -8.965 -3.401 1.00 0.00 O ATOM 392 OP2 DT A 13 4.485 -7.946 -4.526 1.00 0.00 O ATOM 393 O5' DT A 13 6.417 -6.500 -3.860 1.00 0.00 O ATOM 394 C5' DT A 13 7.647 -6.270 -3.153 1.00 0.00 C ATOM 395 C4' DT A 13 7.554 -5.093 -2.161 1.00 0.00 C ATOM 396 O4' DT A 13 7.319 -3.828 -2.822 1.00 0.00 O ATOM 397 C3' DT A 13 6.438 -5.269 -1.105 1.00 0.00 C ATOM 398 O3' DT A 13 6.792 -4.836 0.223 1.00 0.00 O ATOM 399 C2' DT A 13 5.386 -4.343 -1.672 1.00 0.00 C ATOM 400 C1' DT A 13 6.172 -3.179 -2.238 1.00 0.00 C ATOM 401 N1 DT A 13 5.396 -2.348 -3.202 1.00 0.00 N ATOM 402 C2 DT A 13 4.858 -1.141 -2.757 1.00 0.00 C ATOM 403 O2 DT A 13 4.968 -0.730 -1.602 1.00 0.00 O ATOM 404 N3 DT A 13 4.162 -0.406 -3.699 1.00 0.00 N ATOM 405 C4 DT A 13 3.953 -0.750 -5.018 1.00 0.00 C ATOM 406 O4 DT A 13 3.319 0.001 -5.757 1.00 0.00 O ATOM 407 C5 DT A 13 4.542 -2.017 -5.395 1.00 0.00 C ATOM 408 C7 DT A 13 4.376 -2.529 -6.827 1.00 0.00 C ATOM 409 C6 DT A 13 5.227 -2.758 -4.500 1.00 0.00 C ATOM 0 H5' DT A 13 8.442 -6.072 -3.872 1.00 0.00 H new ATOM 0 H5'' DT A 13 7.924 -7.175 -2.612 1.00 0.00 H new ATOM 0 H4' DT A 13 8.526 -5.090 -1.668 1.00 0.00 H new ATOM 0 H3' DT A 13 6.162 -6.314 -0.966 1.00 0.00 H new ATOM 0 H2' DT A 13 4.797 -4.837 -2.444 1.00 0.00 H new ATOM 0 H2'' DT A 13 4.689 -4.014 -0.901 1.00 0.00 H new ATOM 0 H1' DT A 13 6.444 -2.442 -1.482 1.00 0.00 H new ATOM 0 H3 DT A 13 3.763 0.479 -3.387 1.00 0.00 H new ATOM 0 H71 DT A 13 5.240 -3.136 -7.099 1.00 0.00 H new ATOM 0 H72 DT A 13 3.472 -3.134 -6.895 1.00 0.00 H new ATOM 0 H73 DT A 13 4.298 -1.683 -7.509 1.00 0.00 H new ATOM 0 H6 DT A 13 5.654 -3.699 -4.814 1.00 0.00 H new ATOM 422 P DG A 14 7.804 -5.646 1.193 1.00 0.00 P ATOM 423 OP1 DG A 14 9.100 -4.933 1.171 1.00 0.00 O ATOM 424 OP2 DG A 14 7.754 -7.080 0.827 1.00 0.00 O ATOM 425 O5' DG A 14 7.199 -5.482 2.686 1.00 0.00 O ATOM 426 C5' DG A 14 6.095 -6.240 3.200 1.00 0.00 C ATOM 427 C4' DG A 14 5.894 -5.974 4.704 1.00 0.00 C ATOM 428 O4' DG A 14 5.635 -4.576 4.918 1.00 0.00 O ATOM 429 C3' DG A 14 4.703 -6.716 5.330 1.00 0.00 C ATOM 430 O3' DG A 14 4.873 -6.805 6.757 1.00 0.00 O ATOM 431 C2' DG A 14 3.603 -5.762 4.948 1.00 0.00 C ATOM 432 C1' DG A 14 4.242 -4.413 5.221 1.00 0.00 C ATOM 433 N9 DG A 14 3.685 -3.332 4.402 1.00 0.00 N ATOM 434 C8 DG A 14 3.435 -2.057 4.783 1.00 0.00 C ATOM 435 N7 DG A 14 2.942 -1.282 3.874 1.00 0.00 N ATOM 436 C5 DG A 14 2.854 -2.121 2.772 1.00 0.00 C ATOM 437 C6 DG A 14 2.387 -1.836 1.474 1.00 0.00 C ATOM 438 O6 DG A 14 1.949 -0.764 1.063 1.00 0.00 O ATOM 439 N1 DG A 14 2.462 -2.950 0.651 1.00 0.00 N ATOM 440 C2 DG A 14 2.927 -4.191 1.026 1.00 0.00 C ATOM 441 N2 DG A 14 2.910 -5.139 0.085 1.00 0.00 N ATOM 442 N3 DG A 14 3.371 -4.462 2.259 1.00 0.00 N ATOM 443 C4 DG A 14 3.305 -3.382 3.076 1.00 0.00 C ATOM 0 H5' DG A 14 6.271 -7.303 3.036 1.00 0.00 H new ATOM 0 H5'' DG A 14 5.187 -5.980 2.657 1.00 0.00 H new ATOM 0 H4' DG A 14 6.813 -6.327 5.172 1.00 0.00 H new ATOM 0 H3' DG A 14 4.544 -7.745 5.008 1.00 0.00 H new ATOM 0 H2' DG A 14 3.313 -5.872 3.903 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.705 -5.916 5.546 1.00 0.00 H new ATOM 0 H1' DG A 14 4.057 -4.124 6.256 1.00 0.00 H new ATOM 0 H8 DG A 14 3.635 -1.709 5.786 1.00 0.00 H new ATOM 0 H1 DG A 14 2.146 -2.841 -0.313 1.00 0.00 H new ATOM 0 H21 DG A 14 3.242 -6.079 0.302 1.00 0.00 H new ATOM 0 H22 DG A 14 2.565 -4.923 -0.850 1.00 0.00 H new ATOM 455 P DG A 15 3.679 -7.065 7.824 1.00 0.00 P ATOM 456 OP1 DG A 15 4.308 -7.478 9.099 1.00 0.00 O ATOM 457 OP2 DG A 15 2.667 -7.940 7.192 1.00 0.00 O ATOM 458 O5' DG A 15 3.006 -5.604 8.040 1.00 0.00 O ATOM 459 C5' DG A 15 3.588 -4.643 8.935 1.00 0.00 C ATOM 460 C4' DG A 15 2.669 -3.452 9.272 1.00 0.00 C ATOM 461 O4' DG A 15 2.380 -2.646 8.107 1.00 0.00 O ATOM 462 C3' DG A 15 1.307 -3.851 9.867 1.00 0.00 C ATOM 463 O3' DG A 15 0.821 -2.797 10.709 1.00 0.00 O ATOM 464 C2' DG A 15 0.468 -3.862 8.610 1.00 0.00 C ATOM 465 C1' DG A 15 0.957 -2.615 7.888 1.00 0.00 C ATOM 466 N9 DG A 15 0.607 -2.526 6.453 1.00 0.00 N ATOM 467 C8 DG A 15 0.687 -3.471 5.478 1.00 0.00 C ATOM 468 N7 DG A 15 0.322 -3.102 4.289 1.00 0.00 N ATOM 469 C5 DG A 15 -0.040 -1.775 4.484 1.00 0.00 C ATOM 470 C6 DG A 15 -0.526 -0.827 3.549 1.00 0.00 C ATOM 471 O6 DG A 15 -0.720 -0.984 2.345 1.00 0.00 O ATOM 472 N1 DG A 15 -0.771 0.397 4.153 1.00 0.00 N ATOM 473 C2 DG A 15 -0.575 0.683 5.487 1.00 0.00 C ATOM 474 N2 DG A 15 -0.863 1.925 5.883 1.00 0.00 N ATOM 475 N3 DG A 15 -0.117 -0.210 6.368 1.00 0.00 N ATOM 476 C4 DG A 15 0.129 -1.413 5.799 1.00 0.00 C ATOM 0 H5' DG A 15 4.509 -4.263 8.492 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.864 -5.147 9.861 1.00 0.00 H new ATOM 0 H4' DG A 15 3.240 -2.898 10.017 1.00 0.00 H new ATOM 0 H3' DG A 15 1.315 -4.769 10.454 1.00 0.00 H new ATOM 0 H2' DG A 15 0.630 -4.764 8.020 1.00 0.00 H new ATOM 0 H2'' DG A 15 -0.598 -3.813 8.831 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.047 -3.053 11.085 1.00 0.00 H new ATOM 0 H1' DG A 15 0.466 -1.724 8.280 1.00 0.00 H new ATOM 0 H8 DG A 15 1.035 -4.473 5.682 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.126 1.148 3.561 1.00 0.00 H new ATOM 0 H21 DG A 15 -0.737 2.191 6.860 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.209 2.608 5.209 1.00 0.00 H new TER 489 DG A 15