USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 392 hydrogens (112 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 150:sc= -0.46 (180deg=-0.46) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc=-0.00619 (180deg=-1.53!) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ 180:sc=-0.00527 (180deg=-0.00527) USER MOD Single : B 1 DT C7 :methyl 150:sc= -0.0559 (180deg=-0.0559) USER MOD Single : B 1 DT O5' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DMY N8 :NH3+ -160:sc= 0.065 (180deg=0.0139) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.153 (180deg=-0.153) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl -30:sc= -0.684 (180deg=-0.835) USER MOD Single : E 6 DT O3' : rot 180:sc= 0 USER MOD Single : E 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 1 DT C7 :methyl 150:sc= -0.314 (180deg=-0.314) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= 0 (180deg=-0.124) USER MOD Single : F 6 DT O3' : rot 180:sc= 0 USER MOD Single : F 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 12.644 19.008 7.804 1.00 0.00 O ATOM 2 C5' DT A 1 12.214 18.048 6.838 1.00 0.00 C ATOM 3 C4' DT A 1 10.749 17.620 7.058 1.00 0.00 C ATOM 4 O4' DT A 1 10.389 16.772 5.945 1.00 0.00 O ATOM 5 C3' DT A 1 10.494 16.812 8.343 1.00 0.00 C ATOM 6 O3' DT A 1 9.186 17.117 8.881 1.00 0.00 O ATOM 7 C2' DT A 1 10.549 15.372 7.841 1.00 0.00 C ATOM 8 C1' DT A 1 9.980 15.473 6.426 1.00 0.00 C ATOM 9 N1 DT A 1 10.457 14.413 5.491 1.00 0.00 N ATOM 10 C2 DT A 1 9.548 13.584 4.858 1.00 0.00 C ATOM 11 O2 DT A 1 8.335 13.717 5.009 1.00 0.00 O ATOM 12 N3 DT A 1 9.950 12.616 4.006 1.00 0.00 N ATOM 13 C4 DT A 1 11.244 12.390 3.670 1.00 0.00 C ATOM 14 O4 DT A 1 11.539 11.551 2.825 1.00 0.00 O ATOM 15 C5 DT A 1 12.328 13.289 4.344 1.00 0.00 C ATOM 16 C7 DT A 1 13.794 13.080 4.019 1.00 0.00 C ATOM 17 C6 DT A 1 11.910 14.237 5.213 1.00 0.00 C ATOM 0 H5' DT A 1 12.859 17.171 6.888 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.322 18.467 5.838 1.00 0.00 H new ATOM 0 H4' DT A 1 10.162 18.535 7.144 1.00 0.00 H new ATOM 0 H3' DT A 1 11.204 17.022 9.143 1.00 0.00 H new ATOM 0 H2' DT A 1 11.568 14.985 7.838 1.00 0.00 H new ATOM 0 H2'' DT A 1 9.956 14.705 8.467 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.577 19.251 7.630 1.00 0.00 H new ATOM 0 H1' DT A 1 8.899 15.337 6.464 1.00 0.00 H new ATOM 0 H3 DT A 1 9.236 12.018 3.590 1.00 0.00 H new ATOM 0 H71 DT A 1 14.325 14.028 4.107 1.00 0.00 H new ATOM 0 H72 DT A 1 14.222 12.358 4.715 1.00 0.00 H new ATOM 0 H73 DT A 1 13.891 12.704 3.001 1.00 0.00 H new ATOM 0 H6 DT A 1 12.633 14.869 5.708 1.00 0.00 H new ATOM 31 P DG A 2 8.917 16.876 10.457 1.00 0.00 P ATOM 32 OP1 DG A 2 9.816 17.849 11.236 1.00 0.00 O ATOM 33 OP2 DG A 2 9.310 15.446 10.764 1.00 0.00 O ATOM 34 O5' DG A 2 7.374 17.108 10.879 1.00 0.00 O ATOM 35 C5' DG A 2 6.312 17.684 10.088 1.00 0.00 C ATOM 36 C4' DG A 2 5.037 16.797 10.075 1.00 0.00 C ATOM 37 O4' DG A 2 5.130 15.886 8.959 1.00 0.00 O ATOM 38 C3' DG A 2 4.776 15.963 11.356 1.00 0.00 C ATOM 39 O3' DG A 2 3.383 15.997 11.740 1.00 0.00 O ATOM 40 C2' DG A 2 5.216 14.565 10.930 1.00 0.00 C ATOM 41 C1' DG A 2 4.965 14.538 9.418 1.00 0.00 C ATOM 42 N9 DG A 2 5.912 13.650 8.686 1.00 0.00 N ATOM 43 C8 DG A 2 7.300 13.613 8.687 1.00 0.00 C ATOM 44 N7 DG A 2 8.006 12.662 7.990 1.00 0.00 N ATOM 45 C5 DG A 2 6.912 12.035 7.423 1.00 0.00 C ATOM 46 C6 DG A 2 6.920 10.892 6.378 1.00 0.00 C ATOM 47 O6 DG A 2 7.949 10.374 5.956 1.00 0.00 O ATOM 48 N1 DG A 2 5.701 10.507 5.921 1.00 0.00 N ATOM 49 C2 DG A 2 4.469 11.148 6.344 1.00 0.00 C ATOM 50 N2 DG A 2 3.278 10.750 5.817 1.00 0.00 N ATOM 51 N3 DG A 2 4.460 12.120 7.180 1.00 0.00 N ATOM 52 C4 DG A 2 5.657 12.619 7.801 1.00 0.00 C ATOM 0 H5' DG A 2 6.661 17.829 9.066 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.062 18.669 10.482 1.00 0.00 H new ATOM 0 H4' DG A 2 4.202 17.494 10.003 1.00 0.00 H new ATOM 0 H3' DG A 2 5.306 16.334 12.233 1.00 0.00 H new ATOM 0 H2' DG A 2 6.266 14.390 11.163 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.642 13.793 11.443 1.00 0.00 H new ATOM 0 H1' DG A 2 3.967 14.143 9.227 1.00 0.00 H new ATOM 0 H8 DG A 2 7.842 14.355 9.254 1.00 0.00 H new ATOM 0 H1 DG A 2 5.649 9.737 5.254 1.00 0.00 H new ATOM 0 H21 DG A 2 2.413 11.201 6.114 1.00 0.00 H new ATOM 0 H22 DG A 2 3.251 10.001 5.125 1.00 0.00 H new ATOM 64 P DG A 3 2.835 15.346 13.130 1.00 0.00 P ATOM 65 OP1 DG A 3 1.754 16.272 13.709 1.00 0.00 O ATOM 66 OP2 DG A 3 3.953 15.255 14.167 1.00 0.00 O ATOM 67 O5' DG A 3 2.205 13.882 12.847 1.00 0.00 O ATOM 68 C5' DG A 3 1.187 13.639 11.838 1.00 0.00 C ATOM 69 C4' DG A 3 1.198 12.186 11.309 1.00 0.00 C ATOM 70 O4' DG A 3 2.371 11.963 10.463 1.00 0.00 O ATOM 71 C3' DG A 3 1.205 11.097 12.421 1.00 0.00 C ATOM 72 O3' DG A 3 0.323 9.982 12.146 1.00 0.00 O ATOM 73 C2' DG A 3 2.611 10.536 12.233 1.00 0.00 C ATOM 74 C1' DG A 3 2.748 10.610 10.722 1.00 0.00 C ATOM 75 N9 DG A 3 4.090 10.193 10.231 1.00 0.00 N ATOM 76 C8 DG A 3 5.388 10.522 10.607 1.00 0.00 C ATOM 77 N7 DG A 3 6.473 9.796 10.153 1.00 0.00 N ATOM 78 C5 DG A 3 5.759 8.891 9.376 1.00 0.00 C ATOM 79 C6 DG A 3 6.314 7.781 8.442 1.00 0.00 C ATOM 80 O6 DG A 3 7.506 7.542 8.325 1.00 0.00 O ATOM 81 N1 DG A 3 5.393 7.091 7.719 1.00 0.00 N ATOM 82 C2 DG A 3 3.976 7.382 7.798 1.00 0.00 C ATOM 83 N2 DG A 3 3.096 6.705 7.011 1.00 0.00 N ATOM 84 N3 DG A 3 3.513 8.290 8.575 1.00 0.00 N ATOM 85 C4 DG A 3 4.351 9.119 9.398 1.00 0.00 C ATOM 0 H5' DG A 3 1.338 14.325 11.004 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.206 13.860 12.259 1.00 0.00 H new ATOM 0 H4' DG A 3 0.267 12.084 10.751 1.00 0.00 H new ATOM 0 H3' DG A 3 0.915 11.509 13.388 1.00 0.00 H new ATOM 0 H2' DG A 3 3.366 11.132 12.746 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.702 9.516 12.607 1.00 0.00 H new ATOM 0 H1' DG A 3 2.125 9.906 10.171 1.00 0.00 H new ATOM 0 H8 DG A 3 5.551 11.361 11.267 1.00 0.00 H new ATOM 0 H1 DG A 3 5.710 6.344 7.101 1.00 0.00 H new ATOM 0 H21 DG A 3 2.099 6.911 7.067 1.00 0.00 H new ATOM 0 H22 DG A 3 3.434 5.992 6.365 1.00 0.00 H new ATOM 97 P DG A 4 -1.211 9.801 12.584 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.107 10.878 11.972 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.358 9.863 14.115 1.00 0.00 O ATOM 100 O5' DG A 4 -1.725 8.328 12.160 1.00 0.00 O ATOM 101 C5' DG A 4 -1.817 7.820 10.796 1.00 0.00 C ATOM 102 C4' DG A 4 -1.290 6.364 10.649 1.00 0.00 C ATOM 103 O4' DG A 4 0.117 6.393 10.292 1.00 0.00 O ATOM 104 C3' DG A 4 -1.403 5.487 11.929 1.00 0.00 C ATOM 105 O3' DG A 4 -1.919 4.164 11.684 1.00 0.00 O ATOM 106 C2' DG A 4 0.063 5.369 12.347 1.00 0.00 C ATOM 107 C1' DG A 4 0.727 5.304 10.979 1.00 0.00 C ATOM 108 N9 DG A 4 2.214 5.387 11.007 1.00 0.00 N ATOM 109 C8 DG A 4 3.123 6.116 11.770 1.00 0.00 C ATOM 110 N7 DG A 4 4.482 5.897 11.668 1.00 0.00 N ATOM 111 C5 DG A 4 4.423 4.919 10.684 1.00 0.00 C ATOM 112 C6 DG A 4 5.600 4.150 10.024 1.00 0.00 C ATOM 113 O6 DG A 4 6.769 4.324 10.347 1.00 0.00 O ATOM 114 N1 DG A 4 5.259 3.250 9.062 1.00 0.00 N ATOM 115 C2 DG A 4 3.877 2.988 8.707 1.00 0.00 C ATOM 116 N2 DG A 4 3.562 2.028 7.795 1.00 0.00 N ATOM 117 N3 DG A 4 2.905 3.610 9.260 1.00 0.00 N ATOM 118 C4 DG A 4 3.092 4.617 10.268 1.00 0.00 C ATOM 0 H5' DG A 4 -1.251 8.474 10.133 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.856 7.858 10.470 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.925 5.917 9.884 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.085 5.924 12.658 1.00 0.00 H new ATOM 0 H2' DG A 4 0.399 6.225 12.932 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.255 4.478 12.945 1.00 0.00 H new ATOM 0 H1' DG A 4 0.577 4.340 10.493 1.00 0.00 H new ATOM 0 H8 DG A 4 2.757 6.867 12.455 1.00 0.00 H new ATOM 0 H1 DG A 4 5.998 2.744 8.575 1.00 0.00 H new ATOM 0 H21 DG A 4 2.586 1.854 7.554 1.00 0.00 H new ATOM 0 H22 DG A 4 4.302 1.483 7.352 1.00 0.00 H new ATOM 130 P DG A 5 -2.569 3.266 12.860 1.00 0.00 P ATOM 131 OP1 DG A 5 -3.980 3.782 13.166 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.783 3.449 14.176 1.00 0.00 O ATOM 133 O5' DG A 5 -2.626 1.699 12.427 1.00 0.00 O ATOM 134 C5' DG A 5 -2.983 1.218 11.090 1.00 0.00 C ATOM 135 C4' DG A 5 -2.151 -0.017 10.661 1.00 0.00 C ATOM 136 O4' DG A 5 -0.794 0.421 10.402 1.00 0.00 O ATOM 137 C3' DG A 5 -2.084 -1.141 11.729 1.00 0.00 C ATOM 138 O3' DG A 5 -2.047 -2.472 11.165 1.00 0.00 O ATOM 139 C2' DG A 5 -0.695 -0.888 12.314 1.00 0.00 C ATOM 140 C1' DG A 5 0.079 -0.494 11.055 1.00 0.00 C ATOM 141 N9 DG A 5 1.421 0.100 11.308 1.00 0.00 N ATOM 142 C8 DG A 5 1.890 1.024 12.233 1.00 0.00 C ATOM 143 N7 DG A 5 3.238 1.281 12.367 1.00 0.00 N ATOM 144 C5 DG A 5 3.670 0.464 11.334 1.00 0.00 C ATOM 145 C6 DG A 5 5.126 0.197 10.871 1.00 0.00 C ATOM 146 O6 DG A 5 6.101 0.691 11.425 1.00 0.00 O ATOM 147 N1 DG A 5 5.266 -0.643 9.812 1.00 0.00 N ATOM 148 C2 DG A 5 4.125 -1.257 9.149 1.00 0.00 C ATOM 149 N2 DG A 5 4.313 -2.078 8.080 1.00 0.00 N ATOM 150 N3 DG A 5 2.926 -1.067 9.559 1.00 0.00 N ATOM 151 C4 DG A 5 2.603 -0.210 10.665 1.00 0.00 C ATOM 0 H5' DG A 5 -2.835 2.020 10.367 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.043 0.963 11.070 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.645 -0.435 9.784 1.00 0.00 H new ATOM 0 H3' DG A 5 -2.943 -1.111 12.399 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.700 -0.095 13.061 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.281 -1.775 12.793 1.00 0.00 H new ATOM 0 H1' DG A 5 0.323 -1.372 10.457 1.00 0.00 H new ATOM 0 H8 DG A 5 1.185 1.551 12.859 1.00 0.00 H new ATOM 0 H1 DG A 5 6.204 -0.851 9.470 1.00 0.00 H new ATOM 0 H21 DG A 5 3.510 -2.506 7.618 1.00 0.00 H new ATOM 0 H22 DG A 5 5.256 -2.265 7.740 1.00 0.00 H new ATOM 163 P DT A 6 -3.309 -3.407 10.798 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.092 -2.871 9.601 1.00 0.00 O ATOM 165 OP2 DT A 6 -4.268 -3.506 11.994 1.00 0.00 O ATOM 166 O5' DT A 6 -2.776 -4.911 10.478 1.00 0.00 O ATOM 167 C5' DT A 6 -1.936 -5.649 11.397 1.00 0.00 C ATOM 168 C4' DT A 6 -0.522 -5.868 10.822 1.00 0.00 C ATOM 169 O4' DT A 6 0.273 -4.680 10.925 1.00 0.00 O ATOM 170 C3' DT A 6 0.305 -6.909 11.586 1.00 0.00 C ATOM 171 O3' DT A 6 0.007 -8.235 11.169 1.00 0.00 O ATOM 172 C2' DT A 6 1.738 -6.532 11.213 1.00 0.00 C ATOM 173 C1' DT A 6 1.674 -5.034 10.848 1.00 0.00 C ATOM 174 N1 DT A 6 2.516 -4.204 11.756 1.00 0.00 N ATOM 175 C2 DT A 6 3.851 -3.998 11.458 1.00 0.00 C ATOM 176 O2 DT A 6 4.402 -4.555 10.509 1.00 0.00 O ATOM 177 N3 DT A 6 4.624 -3.199 12.223 1.00 0.00 N ATOM 178 C4 DT A 6 4.190 -2.554 13.333 1.00 0.00 C ATOM 179 O4 DT A 6 4.973 -1.879 13.994 1.00 0.00 O ATOM 180 C5 DT A 6 2.692 -2.751 13.736 1.00 0.00 C ATOM 181 C7 DT A 6 2.109 -2.027 14.935 1.00 0.00 C ATOM 182 C6 DT A 6 1.929 -3.543 12.951 1.00 0.00 C ATOM 0 H5' DT A 6 -2.394 -6.614 11.615 1.00 0.00 H new ATOM 0 H5'' DT A 6 -1.866 -5.109 12.341 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.714 -6.185 9.797 1.00 0.00 H new ATOM 0 H3' DT A 6 0.109 -6.902 12.658 1.00 0.00 H new ATOM 0 H2' DT A 6 2.421 -6.707 12.044 1.00 0.00 H new ATOM 0 H2'' DT A 6 2.097 -7.128 10.374 1.00 0.00 H new ATOM 0 HO3' DT A 6 0.555 -8.869 11.677 1.00 0.00 H new ATOM 0 H1' DT A 6 2.075 -4.846 9.852 1.00 0.00 H new ATOM 0 H3 DT A 6 5.598 -3.072 11.948 1.00 0.00 H new ATOM 0 H71 DT A 6 2.891 -1.863 15.677 1.00 0.00 H new ATOM 0 H72 DT A 6 1.703 -1.066 14.618 1.00 0.00 H new ATOM 0 H73 DT A 6 1.314 -2.630 15.373 1.00 0.00 H new ATOM 0 H6 DT A 6 0.888 -3.697 13.193 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.801 7.443 -6.955 1.00 0.00 O ATOM 198 C5' DT B 1 7.651 6.275 -6.150 1.00 0.00 C ATOM 199 C4' DT B 1 8.898 6.032 -5.274 1.00 0.00 C ATOM 200 O4' DT B 1 9.069 7.153 -4.372 1.00 0.00 O ATOM 201 C3' DT B 1 8.791 4.757 -4.406 1.00 0.00 C ATOM 202 O3' DT B 1 10.034 4.042 -4.360 1.00 0.00 O ATOM 203 C2' DT B 1 8.526 5.323 -3.021 1.00 0.00 C ATOM 204 C1' DT B 1 9.304 6.639 -3.046 1.00 0.00 C ATOM 205 N1 DT B 1 8.870 7.612 -2.004 1.00 0.00 N ATOM 206 C2 DT B 1 9.755 8.013 -1.017 1.00 0.00 C ATOM 207 O2 DT B 1 10.935 7.670 -1.025 1.00 0.00 O ATOM 208 N3 DT B 1 9.364 8.819 -0.006 1.00 0.00 N ATOM 209 C4 DT B 1 8.117 9.331 0.116 1.00 0.00 C ATOM 210 O4 DT B 1 7.833 10.077 1.046 1.00 0.00 O ATOM 211 C5 DT B 1 7.080 8.970 -0.994 1.00 0.00 C ATOM 212 C7 DT B 1 5.676 9.533 -0.929 1.00 0.00 C ATOM 213 C6 DT B 1 7.476 8.132 -1.979 1.00 0.00 C ATOM 0 H5' DT B 1 7.480 5.410 -6.790 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.772 6.380 -5.514 1.00 0.00 H new ATOM 0 H4' DT B 1 9.739 5.914 -5.957 1.00 0.00 H new ATOM 0 H3' DT B 1 8.038 4.066 -4.784 1.00 0.00 H new ATOM 0 H2' DT B 1 7.462 5.484 -2.845 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.882 4.656 -2.235 1.00 0.00 H new ATOM 0 HO5' DT B 1 6.996 7.570 -7.500 1.00 0.00 H new ATOM 0 H1' DT B 1 10.358 6.476 -2.822 1.00 0.00 H new ATOM 0 H3 DT B 1 10.051 9.056 0.710 1.00 0.00 H new ATOM 0 H71 DT B 1 5.283 9.648 -1.939 1.00 0.00 H new ATOM 0 H72 DT B 1 5.037 8.853 -0.366 1.00 0.00 H new ATOM 0 H73 DT B 1 5.696 10.504 -0.435 1.00 0.00 H new ATOM 0 H6 DT B 1 6.778 7.839 -2.750 1.00 0.00 H new ATOM 227 P DG B 2 10.378 2.821 -5.357 1.00 0.00 P ATOM 228 OP1 DG B 2 10.763 3.401 -6.727 1.00 0.00 O ATOM 229 OP2 DG B 2 9.124 1.968 -5.583 1.00 0.00 O ATOM 230 O5' DG B 2 11.588 1.921 -4.760 1.00 0.00 O ATOM 231 C5' DG B 2 12.977 2.356 -4.660 1.00 0.00 C ATOM 232 C4' DG B 2 13.591 2.261 -3.240 1.00 0.00 C ATOM 233 O4' DG B 2 13.234 3.434 -2.489 1.00 0.00 O ATOM 234 C3' DG B 2 13.185 1.047 -2.372 1.00 0.00 C ATOM 235 O3' DG B 2 14.117 -0.072 -2.368 1.00 0.00 O ATOM 236 C2' DG B 2 12.955 1.633 -0.974 1.00 0.00 C ATOM 237 C1' DG B 2 13.339 3.118 -1.096 1.00 0.00 C ATOM 238 N9 DG B 2 12.433 4.016 -0.330 1.00 0.00 N ATOM 239 C8 DG B 2 11.057 4.152 -0.397 1.00 0.00 C ATOM 240 N7 DG B 2 10.360 4.954 0.474 1.00 0.00 N ATOM 241 C5 DG B 2 11.465 5.457 1.145 1.00 0.00 C ATOM 242 C6 DG B 2 11.483 6.567 2.224 1.00 0.00 C ATOM 243 O6 DG B 2 10.464 7.111 2.638 1.00 0.00 O ATOM 244 N1 DG B 2 12.710 6.941 2.665 1.00 0.00 N ATOM 245 C2 DG B 2 13.937 6.384 2.125 1.00 0.00 C ATOM 246 N2 DG B 2 15.141 6.849 2.566 1.00 0.00 N ATOM 247 N3 DG B 2 13.930 5.490 1.205 1.00 0.00 N ATOM 248 C4 DG B 2 12.713 4.942 0.662 1.00 0.00 C ATOM 0 H5' DG B 2 13.044 3.389 -5.000 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.580 1.756 -5.341 1.00 0.00 H new ATOM 0 H4' DG B 2 14.658 2.153 -3.437 1.00 0.00 H new ATOM 0 H3' DG B 2 12.295 0.576 -2.790 1.00 0.00 H new ATOM 0 H2' DG B 2 11.916 1.518 -0.664 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.568 1.127 -0.228 1.00 0.00 H new ATOM 0 H1' DG B 2 14.339 3.269 -0.690 1.00 0.00 H new ATOM 0 H8 DG B 2 10.514 3.611 -1.158 1.00 0.00 H new ATOM 0 H1 DG B 2 12.773 7.641 3.405 1.00 0.00 H new ATOM 0 H21 DG B 2 16.006 6.461 2.190 1.00 0.00 H new ATOM 0 H22 DG B 2 15.176 7.585 3.272 1.00 0.00 H new ATOM 260 P DG B 3 15.704 -0.025 -2.023 1.00 0.00 P ATOM 261 OP1 DG B 3 16.488 0.085 -3.341 1.00 0.00 O ATOM 262 OP2 DG B 3 16.122 -1.329 -1.340 1.00 0.00 O ATOM 263 O5' DG B 3 16.023 1.266 -1.095 1.00 0.00 O ATOM 264 C5' DG B 3 17.181 1.455 -0.251 1.00 0.00 C ATOM 265 C4' DG B 3 16.814 1.598 1.246 1.00 0.00 C ATOM 266 O4' DG B 3 15.635 2.408 1.494 1.00 0.00 O ATOM 267 C3' DG B 3 16.530 0.269 1.970 1.00 0.00 C ATOM 268 O3' DG B 3 17.742 -0.411 2.412 1.00 0.00 O ATOM 269 C2' DG B 3 15.532 0.662 3.068 1.00 0.00 C ATOM 270 C1' DG B 3 15.337 2.168 2.880 1.00 0.00 C ATOM 271 N9 DG B 3 13.981 2.634 3.303 1.00 0.00 N ATOM 272 C8 DG B 3 12.693 2.313 2.891 1.00 0.00 C ATOM 273 N7 DG B 3 11.580 2.851 3.512 1.00 0.00 N ATOM 274 C5 DG B 3 12.266 3.635 4.431 1.00 0.00 C ATOM 275 C6 DG B 3 11.681 4.631 5.472 1.00 0.00 C ATOM 276 O6 DG B 3 10.478 4.808 5.619 1.00 0.00 O ATOM 277 N1 DG B 3 12.591 5.320 6.212 1.00 0.00 N ATOM 278 C2 DG B 3 14.024 5.149 6.030 1.00 0.00 C ATOM 279 N2 DG B 3 14.908 5.851 6.787 1.00 0.00 N ATOM 280 N3 DG B 3 14.501 4.343 5.161 1.00 0.00 N ATOM 281 C4 DG B 3 13.686 3.531 4.310 1.00 0.00 C ATOM 0 H5' DG B 3 17.720 2.345 -0.575 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.858 0.610 -0.376 1.00 0.00 H new ATOM 0 H4' DG B 3 17.717 2.070 1.634 1.00 0.00 H new ATOM 0 H3' DG B 3 16.101 -0.498 1.326 1.00 0.00 H new ATOM 0 H2' DG B 3 14.591 0.123 2.962 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.921 0.432 4.060 1.00 0.00 H new ATOM 0 H1' DG B 3 15.997 2.751 3.523 1.00 0.00 H new ATOM 0 H8 DG B 3 12.558 1.628 2.067 1.00 0.00 H new ATOM 0 H1 DG B 3 12.258 5.978 6.917 1.00 0.00 H new ATOM 0 H21 DG B 3 15.911 5.723 6.651 1.00 0.00 H new ATOM 0 H22 DG B 3 14.569 6.506 7.492 1.00 0.00 H new ATOM 293 P DG B 4 18.594 -0.214 3.786 1.00 0.00 P ATOM 294 OP1 DG B 4 20.055 -0.587 3.497 1.00 0.00 O ATOM 295 OP2 DG B 4 18.070 -1.174 4.867 1.00 0.00 O ATOM 296 O5' DG B 4 18.509 1.326 4.286 1.00 0.00 O ATOM 297 C5' DG B 4 19.364 1.941 5.290 1.00 0.00 C ATOM 298 C4' DG B 4 18.723 2.032 6.696 1.00 0.00 C ATOM 299 O4' DG B 4 17.330 2.440 6.649 1.00 0.00 O ATOM 300 C3' DG B 4 18.770 0.721 7.522 1.00 0.00 C ATOM 301 O3' DG B 4 19.651 0.821 8.661 1.00 0.00 O ATOM 302 C2' DG B 4 17.327 0.579 8.001 1.00 0.00 C ATOM 303 C1' DG B 4 16.782 1.995 7.889 1.00 0.00 C ATOM 304 N9 DG B 4 15.294 2.030 7.926 1.00 0.00 N ATOM 305 C8 DG B 4 14.331 1.433 7.131 1.00 0.00 C ATOM 306 N7 DG B 4 12.985 1.598 7.380 1.00 0.00 N ATOM 307 C5 DG B 4 13.121 2.456 8.463 1.00 0.00 C ATOM 308 C6 DG B 4 11.999 3.100 9.322 1.00 0.00 C ATOM 309 O6 DG B 4 10.809 2.928 9.099 1.00 0.00 O ATOM 310 N1 DG B 4 12.415 3.860 10.368 1.00 0.00 N ATOM 311 C2 DG B 4 13.821 4.036 10.681 1.00 0.00 C ATOM 312 N2 DG B 4 14.201 4.690 11.808 1.00 0.00 N ATOM 313 N3 DG B 4 14.747 3.537 9.954 1.00 0.00 N ATOM 314 C4 DG B 4 14.483 2.719 8.807 1.00 0.00 C ATOM 0 H5' DG B 4 19.631 2.944 4.959 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.291 1.371 5.361 1.00 0.00 H new ATOM 0 H4' DG B 4 19.343 2.782 7.187 1.00 0.00 H new ATOM 0 H3' DG B 4 19.144 -0.120 6.939 1.00 0.00 H new ATOM 0 H2' DG B 4 16.764 -0.119 7.382 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.277 0.208 9.025 1.00 0.00 H new ATOM 0 H1' DG B 4 17.060 2.639 8.723 1.00 0.00 H new ATOM 0 H8 DG B 4 14.641 0.823 6.295 1.00 0.00 H new ATOM 0 H1 DG B 4 11.717 4.321 10.952 1.00 0.00 H new ATOM 0 H21 DG B 4 15.192 4.809 12.019 1.00 0.00 H new ATOM 0 H22 DG B 4 13.496 5.063 12.444 1.00 0.00 H new ATOM 326 P DG B 5 20.087 -0.444 9.574 1.00 0.00 P ATOM 327 OP1 DG B 5 21.571 -0.767 9.355 1.00 0.00 O ATOM 328 OP2 DG B 5 19.258 -1.704 9.224 1.00 0.00 O ATOM 329 O5' DG B 5 19.850 -0.107 11.137 1.00 0.00 O ATOM 330 C5' DG B 5 20.049 1.187 11.776 1.00 0.00 C ATOM 331 C4' DG B 5 19.078 1.358 12.974 1.00 0.00 C ATOM 332 O4' DG B 5 17.756 1.670 12.456 1.00 0.00 O ATOM 333 C3' DG B 5 18.935 0.082 13.862 1.00 0.00 C ATOM 334 O3' DG B 5 18.957 0.356 15.291 1.00 0.00 O ATOM 335 C2' DG B 5 17.549 -0.403 13.436 1.00 0.00 C ATOM 336 C1' DG B 5 16.830 0.926 13.238 1.00 0.00 C ATOM 337 N9 DG B 5 15.488 0.798 12.602 1.00 0.00 N ATOM 338 C8 DG B 5 15.036 0.126 11.476 1.00 0.00 C ATOM 339 N7 DG B 5 13.690 0.030 11.187 1.00 0.00 N ATOM 340 C5 DG B 5 13.239 0.818 12.239 1.00 0.00 C ATOM 341 C6 DG B 5 11.776 1.204 12.590 1.00 0.00 C ATOM 342 O6 DG B 5 10.809 0.763 11.984 1.00 0.00 O ATOM 343 N1 DG B 5 11.619 2.036 13.654 1.00 0.00 N ATOM 344 C2 DG B 5 12.744 2.499 14.445 1.00 0.00 C ATOM 345 N2 DG B 5 12.543 3.327 15.511 1.00 0.00 N ATOM 346 N3 DG B 5 13.946 2.142 14.189 1.00 0.00 N ATOM 347 C4 DG B 5 14.292 1.304 13.073 1.00 0.00 C ATOM 0 H5' DG B 5 19.886 1.985 11.052 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.079 1.274 12.120 1.00 0.00 H new ATOM 0 H4' DG B 5 19.495 2.150 13.596 1.00 0.00 H new ATOM 0 H3' DG B 5 19.754 -0.623 13.724 1.00 0.00 H new ATOM 0 H2' DG B 5 17.581 -0.996 12.522 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.074 -1.020 14.199 1.00 0.00 H new ATOM 0 H1' DG B 5 16.582 1.411 14.182 1.00 0.00 H new ATOM 0 H8 DG B 5 15.753 -0.332 10.811 1.00 0.00 H new ATOM 0 H1 DG B 5 10.680 2.345 13.904 1.00 0.00 H new ATOM 0 H21 DG B 5 13.338 3.649 16.063 1.00 0.00 H new ATOM 0 H22 DG B 5 11.598 3.624 15.755 1.00 0.00 H new ATOM 359 P DT B 6 19.030 -0.808 16.432 1.00 0.00 P ATOM 360 OP1 DT B 6 20.146 -0.493 17.439 1.00 0.00 O ATOM 361 OP2 DT B 6 19.338 -2.179 15.821 1.00 0.00 O ATOM 362 O5' DT B 6 17.629 -0.918 17.247 1.00 0.00 O ATOM 363 C5' DT B 6 17.089 0.168 18.033 1.00 0.00 C ATOM 364 C4' DT B 6 15.568 0.027 18.252 1.00 0.00 C ATOM 365 O4' DT B 6 14.864 0.065 17.003 1.00 0.00 O ATOM 366 C3' DT B 6 15.090 -1.284 18.890 1.00 0.00 C ATOM 367 O3' DT B 6 15.183 -1.268 20.310 1.00 0.00 O ATOM 368 C2' DT B 6 13.636 -1.382 18.423 1.00 0.00 C ATOM 369 C1' DT B 6 13.520 -0.372 17.261 1.00 0.00 C ATOM 370 N1 DT B 6 12.864 -0.964 16.062 1.00 0.00 N ATOM 371 C2 DT B 6 11.506 -0.784 15.869 1.00 0.00 C ATOM 372 O2 DT B 6 10.820 -0.128 16.649 1.00 0.00 O ATOM 373 N3 DT B 6 10.868 -1.358 14.825 1.00 0.00 N ATOM 374 C4 DT B 6 11.468 -2.157 13.909 1.00 0.00 C ATOM 375 O4 DT B 6 10.797 -2.681 13.022 1.00 0.00 O ATOM 376 C5 DT B 6 13.005 -2.401 14.067 1.00 0.00 C ATOM 377 C7 DT B 6 13.738 -3.294 13.083 1.00 0.00 C ATOM 378 C6 DT B 6 13.641 -1.786 15.096 1.00 0.00 C ATOM 0 H5' DT B 6 17.297 1.114 17.533 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.592 0.201 18.999 1.00 0.00 H new ATOM 0 H4' DT B 6 15.361 0.858 18.926 1.00 0.00 H new ATOM 0 H3' DT B 6 15.700 -2.138 18.595 1.00 0.00 H new ATOM 0 H2' DT B 6 13.395 -2.392 18.093 1.00 0.00 H new ATOM 0 H2'' DT B 6 12.945 -1.137 19.230 1.00 0.00 H new ATOM 0 HO3' DT B 6 14.866 -2.123 20.668 1.00 0.00 H new ATOM 0 H1' DT B 6 12.878 0.469 17.522 1.00 0.00 H new ATOM 0 H3 DT B 6 9.870 -1.178 14.719 1.00 0.00 H new ATOM 0 H71 DT B 6 14.771 -2.958 12.986 1.00 0.00 H new ATOM 0 H72 DT B 6 13.723 -4.322 13.444 1.00 0.00 H new ATOM 0 H73 DT B 6 13.248 -3.244 12.111 1.00 0.00 H new ATOM 0 H6 DT B 6 14.709 -1.893 15.213 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 19.961 7.061 -1.297 1.00 0.00 O ATOM 394 C5' DT E 1 19.424 6.897 0.016 1.00 0.00 C ATOM 395 C4' DT E 1 19.470 8.228 0.792 1.00 0.00 C ATOM 396 O4' DT E 1 18.723 9.263 0.103 1.00 0.00 O ATOM 397 C3' DT E 1 18.874 8.132 2.198 1.00 0.00 C ATOM 398 O3' DT E 1 19.864 7.846 3.194 1.00 0.00 O ATOM 399 C2' DT E 1 18.371 9.542 2.423 1.00 0.00 C ATOM 400 C1' DT E 1 17.910 10.012 1.044 1.00 0.00 C ATOM 401 N1 DT E 1 16.440 9.876 0.802 1.00 0.00 N ATOM 402 C2 DT E 1 15.550 10.643 1.543 1.00 0.00 C ATOM 403 O2 DT E 1 15.928 11.481 2.358 1.00 0.00 O ATOM 404 N3 DT E 1 14.213 10.526 1.358 1.00 0.00 N ATOM 405 C4 DT E 1 13.639 9.735 0.431 1.00 0.00 C ATOM 406 O4 DT E 1 12.417 9.779 0.306 1.00 0.00 O ATOM 407 C5 DT E 1 14.575 8.870 -0.469 1.00 0.00 C ATOM 408 C7 DT E 1 14.005 7.974 -1.550 1.00 0.00 C ATOM 409 C6 DT E 1 15.912 8.935 -0.225 1.00 0.00 C ATOM 0 H5' DT E 1 19.990 6.137 0.554 1.00 0.00 H new ATOM 0 H5'' DT E 1 18.395 6.543 -0.048 1.00 0.00 H new ATOM 0 H4' DT E 1 20.531 8.469 0.860 1.00 0.00 H new ATOM 0 H3' DT E 1 18.129 7.340 2.273 1.00 0.00 H new ATOM 0 H2' DT E 1 17.552 9.561 3.142 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.157 10.185 2.818 1.00 0.00 H new ATOM 0 HO5' DT E 1 19.925 6.206 -1.774 1.00 0.00 H new ATOM 0 H1' DT E 1 18.052 11.087 0.935 1.00 0.00 H new ATOM 0 H3 DT E 1 13.600 11.074 1.961 1.00 0.00 H new ATOM 0 H71 DT E 1 14.723 7.885 -2.365 1.00 0.00 H new ATOM 0 H72 DT E 1 13.803 6.987 -1.135 1.00 0.00 H new ATOM 0 H73 DT E 1 13.078 8.405 -1.929 1.00 0.00 H new ATOM 0 H6 DT E 1 16.592 8.303 -0.777 1.00 0.00 H new ATOM 423 P DG E 2 19.475 7.069 4.568 1.00 0.00 P ATOM 424 OP1 DG E 2 20.247 5.757 4.552 1.00 0.00 O ATOM 425 OP2 DG E 2 17.963 6.874 4.599 1.00 0.00 O ATOM 426 O5' DG E 2 19.933 7.982 5.832 1.00 0.00 O ATOM 427 C5' DG E 2 19.805 9.418 5.895 1.00 0.00 C ATOM 428 C4' DG E 2 18.885 9.972 7.015 1.00 0.00 C ATOM 429 O4' DG E 2 17.768 10.723 6.471 1.00 0.00 O ATOM 430 C3' DG E 2 18.309 8.989 8.039 1.00 0.00 C ATOM 431 O3' DG E 2 19.181 8.878 9.177 1.00 0.00 O ATOM 432 C2' DG E 2 17.019 9.661 8.477 1.00 0.00 C ATOM 433 C1' DG E 2 16.609 10.571 7.324 1.00 0.00 C ATOM 434 N9 DG E 2 15.438 10.044 6.568 1.00 0.00 N ATOM 435 C8 DG E 2 15.398 9.134 5.517 1.00 0.00 C ATOM 436 N7 DG E 2 14.205 8.712 4.984 1.00 0.00 N ATOM 437 C5 DG E 2 13.369 9.375 5.855 1.00 0.00 C ATOM 438 C6 DG E 2 11.820 9.392 5.842 1.00 0.00 C ATOM 439 O6 DG E 2 11.146 8.753 5.047 1.00 0.00 O ATOM 440 N1 DG E 2 11.231 10.211 6.745 1.00 0.00 N ATOM 441 C2 DG E 2 11.989 11.037 7.655 1.00 0.00 C ATOM 442 N2 DG E 2 11.321 11.881 8.489 1.00 0.00 N ATOM 443 N3 DG E 2 13.281 11.041 7.670 1.00 0.00 N ATOM 444 C4 DG E 2 14.067 10.197 6.796 1.00 0.00 C ATOM 0 H5' DG E 2 19.428 9.771 4.935 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.799 9.846 6.024 1.00 0.00 H new ATOM 0 H4' DG E 2 19.595 10.590 7.565 1.00 0.00 H new ATOM 0 H3' DG E 2 18.176 7.987 7.630 1.00 0.00 H new ATOM 0 H2' DG E 2 16.245 8.922 8.686 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.168 10.234 9.392 1.00 0.00 H new ATOM 0 H1' DG E 2 16.285 11.536 7.713 1.00 0.00 H new ATOM 0 H8 DG E 2 16.323 8.752 5.112 1.00 0.00 H new ATOM 0 H1 DG E 2 10.212 10.246 6.784 1.00 0.00 H new ATOM 0 H21 DG E 2 11.839 12.472 9.139 1.00 0.00 H new ATOM 0 H22 DG E 2 10.302 11.922 8.464 1.00 0.00 H new ATOM 456 P DG E 3 19.097 7.605 10.187 1.00 0.00 P ATOM 457 OP1 DG E 3 20.530 7.136 10.445 1.00 0.00 O ATOM 458 OP2 DG E 3 18.215 6.516 9.605 1.00 0.00 O ATOM 459 O5' DG E 3 18.465 8.079 11.587 1.00 0.00 O ATOM 460 C5' DG E 3 18.337 9.423 12.080 1.00 0.00 C ATOM 461 C4' DG E 3 16.975 9.604 12.784 1.00 0.00 C ATOM 462 O4' DG E 3 15.936 9.748 11.780 1.00 0.00 O ATOM 463 C3' DG E 3 16.587 8.418 13.693 1.00 0.00 C ATOM 464 O3' DG E 3 15.988 8.853 14.928 1.00 0.00 O ATOM 465 C2' DG E 3 15.539 7.720 12.845 1.00 0.00 C ATOM 466 C1' DG E 3 14.843 8.894 12.161 1.00 0.00 C ATOM 467 N9 DG E 3 14.014 8.480 10.993 1.00 0.00 N ATOM 468 C8 DG E 3 14.293 7.580 9.969 1.00 0.00 C ATOM 469 N7 DG E 3 13.316 7.136 9.116 1.00 0.00 N ATOM 470 C5 DG E 3 12.266 7.814 9.686 1.00 0.00 C ATOM 471 C6 DG E 3 10.782 7.753 9.263 1.00 0.00 C ATOM 472 O6 DG E 3 10.386 7.071 8.327 1.00 0.00 O ATOM 473 N1 DG E 3 9.933 8.537 9.971 1.00 0.00 N ATOM 474 C2 DG E 3 10.381 9.383 11.058 1.00 0.00 C ATOM 475 N2 DG E 3 9.478 10.179 11.704 1.00 0.00 N ATOM 476 N3 DG E 3 11.612 9.428 11.427 1.00 0.00 N ATOM 477 C4 DG E 3 12.647 8.648 10.784 1.00 0.00 C ATOM 0 H5' DG E 3 18.426 10.131 11.256 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.147 9.642 12.776 1.00 0.00 H new ATOM 0 H4' DG E 3 17.070 10.489 13.413 1.00 0.00 H new ATOM 0 H3' DG E 3 17.442 7.807 13.983 1.00 0.00 H new ATOM 0 H2' DG E 3 15.988 7.037 12.124 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.848 7.135 13.452 1.00 0.00 H new ATOM 0 H1' DG E 3 14.124 9.388 12.815 1.00 0.00 H new ATOM 0 H8 DG E 3 15.304 7.222 9.843 1.00 0.00 H new ATOM 0 H1 DG E 3 8.942 8.531 9.729 1.00 0.00 H new ATOM 0 H21 DG E 3 9.783 10.778 12.471 1.00 0.00 H new ATOM 0 H22 DG E 3 8.498 10.174 11.420 1.00 0.00 H new ATOM 489 P DG E 4 16.125 7.944 16.258 1.00 0.00 P ATOM 490 OP1 DG E 4 17.426 8.341 16.970 1.00 0.00 O ATOM 491 OP2 DG E 4 16.160 6.465 15.896 1.00 0.00 O ATOM 492 O5' DG E 4 14.885 8.192 17.245 1.00 0.00 O ATOM 493 C5' DG E 4 14.296 9.465 17.569 1.00 0.00 C ATOM 494 C4' DG E 4 12.782 9.298 17.845 1.00 0.00 C ATOM 495 O4' DG E 4 12.093 9.173 16.575 1.00 0.00 O ATOM 496 C3' DG E 4 12.424 8.055 18.697 1.00 0.00 C ATOM 497 O3' DG E 4 11.366 8.325 19.641 1.00 0.00 O ATOM 498 C2' DG E 4 11.930 7.088 17.630 1.00 0.00 C ATOM 499 C1' DG E 4 11.260 8.010 16.607 1.00 0.00 C ATOM 500 N9 DG E 4 11.160 7.397 15.251 1.00 0.00 N ATOM 501 C8 DG E 4 12.141 6.809 14.462 1.00 0.00 C ATOM 502 N7 DG E 4 11.827 6.120 13.315 1.00 0.00 N ATOM 503 C5 DG E 4 10.465 6.332 13.356 1.00 0.00 C ATOM 504 C6 DG E 4 9.401 5.793 12.370 1.00 0.00 C ATOM 505 O6 DG E 4 9.676 5.080 11.413 1.00 0.00 O ATOM 506 N1 DG E 4 8.119 6.151 12.629 1.00 0.00 N ATOM 507 C2 DG E 4 7.760 6.969 13.769 1.00 0.00 C ATOM 508 N2 DG E 4 6.452 7.255 13.998 1.00 0.00 N ATOM 509 N3 DG E 4 8.634 7.410 14.602 1.00 0.00 N ATOM 510 C4 DG E 4 10.042 7.119 14.476 1.00 0.00 C ATOM 0 H5' DG E 4 14.448 10.164 16.747 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.788 9.890 18.444 1.00 0.00 H new ATOM 0 H4' DG E 4 12.476 10.177 18.412 1.00 0.00 H new ATOM 0 H3' DG E 4 13.259 7.697 19.300 1.00 0.00 H new ATOM 0 H2' DG E 4 12.750 6.523 17.187 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.227 6.362 18.039 1.00 0.00 H new ATOM 0 H1' DG E 4 10.230 8.226 16.892 1.00 0.00 H new ATOM 0 H8 DG E 4 13.176 6.896 14.757 1.00 0.00 H new ATOM 0 H1 DG E 4 7.382 5.833 11.999 1.00 0.00 H new ATOM 0 H21 DG E 4 6.188 7.830 14.798 1.00 0.00 H new ATOM 0 H22 DG E 4 5.734 6.895 13.370 1.00 0.00 H new ATOM 522 P DG E 5 11.069 7.371 20.923 1.00 0.00 P ATOM 523 OP1 DG E 5 11.410 8.138 22.209 1.00 0.00 O ATOM 524 OP2 DG E 5 11.922 6.102 20.889 1.00 0.00 O ATOM 525 O5' DG E 5 9.513 6.939 20.954 1.00 0.00 O ATOM 526 C5' DG E 5 8.402 7.833 20.705 1.00 0.00 C ATOM 527 C4' DG E 5 7.218 7.083 20.055 1.00 0.00 C ATOM 528 O4' DG E 5 7.522 6.827 18.650 1.00 0.00 O ATOM 529 C3' DG E 5 6.861 5.721 20.712 1.00 0.00 C ATOM 530 O3' DG E 5 5.434 5.458 20.722 1.00 0.00 O ATOM 531 C2' DG E 5 7.462 4.762 19.685 1.00 0.00 C ATOM 532 C1' DG E 5 7.109 5.484 18.389 1.00 0.00 C ATOM 533 N9 DG E 5 7.710 4.871 17.173 1.00 0.00 N ATOM 534 C8 DG E 5 9.015 4.534 16.840 1.00 0.00 C ATOM 535 N7 DG E 5 9.302 3.764 15.734 1.00 0.00 N ATOM 536 C5 DG E 5 8.001 3.631 15.279 1.00 0.00 C ATOM 537 C6 DG E 5 7.499 2.841 14.040 1.00 0.00 C ATOM 538 O6 DG E 5 8.239 2.193 13.313 1.00 0.00 O ATOM 539 N1 DG E 5 6.159 2.877 13.819 1.00 0.00 N ATOM 540 C2 DG E 5 5.250 3.594 14.691 1.00 0.00 C ATOM 541 N2 DG E 5 3.909 3.598 14.442 1.00 0.00 N ATOM 542 N3 DG E 5 5.653 4.217 15.736 1.00 0.00 N ATOM 543 C4 DG E 5 7.043 4.295 16.105 1.00 0.00 C ATOM 0 H5' DG E 5 8.724 8.645 20.053 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.079 8.286 21.642 1.00 0.00 H new ATOM 0 H4' DG E 5 6.357 7.738 20.192 1.00 0.00 H new ATOM 0 H3' DG E 5 7.203 5.657 21.745 1.00 0.00 H new ATOM 0 H2' DG E 5 8.538 4.640 19.812 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.020 3.767 19.739 1.00 0.00 H new ATOM 0 H1' DG E 5 6.049 5.422 18.142 1.00 0.00 H new ATOM 0 H8 DG E 5 9.825 4.884 17.463 1.00 0.00 H new ATOM 0 H1 DG E 5 5.780 2.382 13.012 1.00 0.00 H new ATOM 0 H21 DG E 5 3.277 4.105 15.061 1.00 0.00 H new ATOM 0 H22 DG E 5 3.538 3.094 13.637 1.00 0.00 H new ATOM 555 P DT E 6 4.406 5.697 21.940 1.00 0.00 P ATOM 556 OP1 DT E 6 3.978 7.164 22.047 1.00 0.00 O ATOM 557 OP2 DT E 6 5.027 5.279 23.279 1.00 0.00 O ATOM 558 O5' DT E 6 3.081 4.779 21.701 1.00 0.00 O ATOM 559 C5' DT E 6 3.081 3.351 21.936 1.00 0.00 C ATOM 560 C4' DT E 6 2.756 2.538 20.667 1.00 0.00 C ATOM 561 O4' DT E 6 3.733 2.694 19.625 1.00 0.00 O ATOM 562 C3' DT E 6 2.767 1.019 20.887 1.00 0.00 C ATOM 563 O3' DT E 6 1.598 0.538 21.539 1.00 0.00 O ATOM 564 C2' DT E 6 2.847 0.492 19.456 1.00 0.00 C ATOM 565 C1' DT E 6 3.519 1.632 18.666 1.00 0.00 C ATOM 566 N1 DT E 6 4.761 1.193 17.971 1.00 0.00 N ATOM 567 C2 DT E 6 4.675 0.658 16.695 1.00 0.00 C ATOM 568 O2 DT E 6 3.601 0.540 16.112 1.00 0.00 O ATOM 569 N3 DT E 6 5.778 0.212 16.053 1.00 0.00 N ATOM 570 C4 DT E 6 7.025 0.233 16.574 1.00 0.00 C ATOM 571 O4 DT E 6 7.945 -0.273 15.938 1.00 0.00 O ATOM 572 C5 DT E 6 7.202 0.858 17.996 1.00 0.00 C ATOM 573 C7 DT E 6 8.579 0.974 18.622 1.00 0.00 C ATOM 574 C6 DT E 6 6.086 1.303 18.631 1.00 0.00 C ATOM 0 H5' DT E 6 2.351 3.115 22.710 1.00 0.00 H new ATOM 0 H5'' DT E 6 4.057 3.050 22.315 1.00 0.00 H new ATOM 0 H4' DT E 6 1.772 2.926 20.403 1.00 0.00 H new ATOM 0 H3' DT E 6 3.580 0.698 21.538 1.00 0.00 H new ATOM 0 H2' DT E 6 3.431 -0.427 19.403 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.857 0.264 19.060 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.662 -0.434 21.650 1.00 0.00 H new ATOM 0 H1' DT E 6 2.889 1.979 17.847 1.00 0.00 H new ATOM 0 H3 DT E 6 5.661 -0.166 15.113 1.00 0.00 H new ATOM 0 H71 DT E 6 9.213 0.164 18.260 1.00 0.00 H new ATOM 0 H72 DT E 6 9.023 1.931 18.350 1.00 0.00 H new ATOM 0 H73 DT E 6 8.492 0.910 19.707 1.00 0.00 H new ATOM 0 H6 DT E 6 6.163 1.737 19.617 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.625 15.277 4.466 1.00 0.00 O ATOM 590 C5' DT F 1 -0.343 13.904 4.729 1.00 0.00 C ATOM 591 C4' DT F 1 -0.282 13.115 3.410 1.00 0.00 C ATOM 592 O4' DT F 1 0.752 13.628 2.531 1.00 0.00 O ATOM 593 C3' DT F 1 0.028 11.630 3.603 1.00 0.00 C ATOM 594 O3' DT F 1 -1.162 10.853 3.772 1.00 0.00 O ATOM 595 C2' DT F 1 0.660 11.278 2.274 1.00 0.00 C ATOM 596 C1' DT F 1 1.472 12.524 1.909 1.00 0.00 C ATOM 597 N1 DT F 1 2.921 12.480 2.290 1.00 0.00 N ATOM 598 C2 DT F 1 3.756 11.520 1.727 1.00 0.00 C ATOM 599 O2 DT F 1 3.357 10.700 0.904 1.00 0.00 O ATOM 600 N3 DT F 1 5.078 11.492 2.025 1.00 0.00 N ATOM 601 C4 DT F 1 5.706 12.402 2.794 1.00 0.00 C ATOM 602 O4 DT F 1 6.928 12.339 2.898 1.00 0.00 O ATOM 603 C5 DT F 1 4.844 13.535 3.427 1.00 0.00 C ATOM 604 C7 DT F 1 5.482 14.618 4.272 1.00 0.00 C ATOM 605 C6 DT F 1 3.504 13.502 3.203 1.00 0.00 C ATOM 0 H5' DT F 1 -1.112 13.484 5.378 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.605 13.815 5.260 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.277 13.234 2.981 1.00 0.00 H new ATOM 0 H3' DT F 1 0.640 11.436 4.484 1.00 0.00 H new ATOM 0 H2' DT F 1 1.296 10.397 2.355 1.00 0.00 H new ATOM 0 H2'' DT F 1 -0.095 11.058 1.519 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.663 15.771 5.312 1.00 0.00 H new ATOM 0 H1' DT F 1 1.540 12.625 0.826 1.00 0.00 H new ATOM 0 H3 DT F 1 5.636 10.729 1.640 1.00 0.00 H new ATOM 0 H71 DT F 1 4.906 15.539 4.179 1.00 0.00 H new ATOM 0 H72 DT F 1 5.497 14.304 5.316 1.00 0.00 H new ATOM 0 H73 DT F 1 6.502 14.792 3.931 1.00 0.00 H new ATOM 0 H6 DT F 1 2.859 14.220 3.689 1.00 0.00 H new ATOM 619 P DG F 2 -1.172 9.498 4.665 1.00 0.00 P ATOM 620 OP1 DG F 2 -2.214 9.699 5.760 1.00 0.00 O ATOM 621 OP2 DG F 2 0.221 9.264 5.235 1.00 0.00 O ATOM 622 O5' DG F 2 -1.599 8.243 3.737 1.00 0.00 O ATOM 623 C5' DG F 2 -1.486 8.177 2.301 1.00 0.00 C ATOM 624 C4' DG F 2 -0.553 7.061 1.773 1.00 0.00 C ATOM 625 O4' DG F 2 0.744 7.561 1.384 1.00 0.00 O ATOM 626 C3' DG F 2 -0.340 5.833 2.668 1.00 0.00 C ATOM 627 O3' DG F 2 -1.391 4.887 2.365 1.00 0.00 O ATOM 628 C2' DG F 2 1.047 5.347 2.245 1.00 0.00 C ATOM 629 C1' DG F 2 1.737 6.528 1.555 1.00 0.00 C ATOM 630 N9 DG F 2 2.909 7.047 2.313 1.00 0.00 N ATOM 631 C8 DG F 2 2.958 8.004 3.320 1.00 0.00 C ATOM 632 N7 DG F 2 4.152 8.411 3.862 1.00 0.00 N ATOM 633 C5 DG F 2 4.974 7.570 3.145 1.00 0.00 C ATOM 634 C6 DG F 2 6.523 7.532 3.164 1.00 0.00 C ATOM 635 O6 DG F 2 7.208 8.259 3.870 1.00 0.00 O ATOM 636 N1 DG F 2 7.105 6.676 2.292 1.00 0.00 N ATOM 637 C2 DG F 2 6.340 5.879 1.364 1.00 0.00 C ATOM 638 N2 DG F 2 7.003 5.106 0.459 1.00 0.00 N ATOM 639 N3 DG F 2 5.052 5.925 1.311 1.00 0.00 N ATOM 640 C4 DG F 2 4.269 6.751 2.206 1.00 0.00 C ATOM 0 H5' DG F 2 -1.123 9.137 1.935 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.480 8.030 1.879 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.123 6.710 0.913 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.382 6.006 3.743 1.00 0.00 H new ATOM 0 H2' DG F 2 1.621 5.015 3.110 1.00 0.00 H new ATOM 0 H2'' DG F 2 0.969 4.496 1.569 1.00 0.00 H new ATOM 0 H1' DG F 2 2.137 6.194 0.598 1.00 0.00 H new ATOM 0 H8 DG F 2 2.038 8.436 3.684 1.00 0.00 H new ATOM 0 H1 DG F 2 8.121 6.591 2.291 1.00 0.00 H new ATOM 0 H21 DG F 2 6.479 4.536 -0.205 1.00 0.00 H new ATOM 0 H22 DG F 2 8.023 5.098 0.446 1.00 0.00 H new ATOM 652 P DG F 3 -1.397 3.342 2.834 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.847 2.852 2.816 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.750 3.184 4.197 1.00 0.00 O ATOM 655 O5' DG F 3 -0.599 2.514 1.687 1.00 0.00 O ATOM 656 C5' DG F 3 -0.336 1.093 1.758 1.00 0.00 C ATOM 657 C4' DG F 3 1.015 0.720 2.419 1.00 0.00 C ATOM 658 O4' DG F 3 2.002 1.779 2.411 1.00 0.00 O ATOM 659 C3' DG F 3 0.881 0.277 3.884 1.00 0.00 C ATOM 660 O3' DG F 3 0.612 -1.144 4.008 1.00 0.00 O ATOM 661 C2' DG F 3 2.162 0.786 4.542 1.00 0.00 C ATOM 662 C1' DG F 3 2.988 1.407 3.397 1.00 0.00 C ATOM 663 N9 DG F 3 3.812 2.582 3.835 1.00 0.00 N ATOM 664 C8 DG F 3 3.475 3.616 4.705 1.00 0.00 C ATOM 665 N7 DG F 3 4.425 4.417 5.286 1.00 0.00 N ATOM 666 C5 DG F 3 5.524 3.831 4.699 1.00 0.00 C ATOM 667 C6 DG F 3 7.008 4.209 4.920 1.00 0.00 C ATOM 668 O6 DG F 3 7.367 5.085 5.697 1.00 0.00 O ATOM 669 N1 DG F 3 7.910 3.532 4.170 1.00 0.00 N ATOM 670 C2 DG F 3 7.516 2.520 3.211 1.00 0.00 C ATOM 671 N2 DG F 3 8.474 1.922 2.440 1.00 0.00 N ATOM 672 N3 DG F 3 6.288 2.175 3.045 1.00 0.00 N ATOM 673 C4 DG F 3 5.197 2.779 3.782 1.00 0.00 C ATOM 0 H5' DG F 3 -0.358 0.682 0.749 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.142 0.615 2.314 1.00 0.00 H new ATOM 0 H4' DG F 3 1.349 -0.105 1.790 1.00 0.00 H new ATOM 0 H3' DG F 3 0.014 0.695 4.396 1.00 0.00 H new ATOM 0 H2' DG F 3 1.942 1.524 5.313 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.706 -0.026 5.024 1.00 0.00 H new ATOM 0 H1' DG F 3 3.726 0.704 3.010 1.00 0.00 H new ATOM 0 H8 DG F 3 2.433 3.793 4.929 1.00 0.00 H new ATOM 0 H1 DG F 3 8.902 3.742 4.284 1.00 0.00 H new ATOM 0 H21 DG F 3 8.210 1.208 1.761 1.00 0.00 H new ATOM 0 H22 DG F 3 9.453 2.190 2.544 1.00 0.00 H new ATOM 685 P DG F 4 1.657 -2.377 3.887 1.00 0.00 P ATOM 686 OP1 DG F 4 0.845 -3.672 3.758 1.00 0.00 O ATOM 687 OP2 DG F 4 2.559 -2.426 5.116 1.00 0.00 O ATOM 688 O5' DG F 4 2.541 -2.213 2.534 1.00 0.00 O ATOM 689 C5' DG F 4 3.333 -3.277 1.953 1.00 0.00 C ATOM 690 C4' DG F 4 4.784 -3.355 2.481 1.00 0.00 C ATOM 691 O4' DG F 4 5.330 -2.054 2.796 1.00 0.00 O ATOM 692 C3' DG F 4 4.975 -4.230 3.728 1.00 0.00 C ATOM 693 O3' DG F 4 5.277 -5.603 3.389 1.00 0.00 O ATOM 694 C2' DG F 4 6.158 -3.564 4.424 1.00 0.00 C ATOM 695 C1' DG F 4 6.442 -2.254 3.682 1.00 0.00 C ATOM 696 N9 DG F 4 6.605 -1.121 4.636 1.00 0.00 N ATOM 697 C8 DG F 4 5.645 -0.476 5.399 1.00 0.00 C ATOM 698 N7 DG F 4 5.980 0.442 6.368 1.00 0.00 N ATOM 699 C5 DG F 4 7.348 0.345 6.220 1.00 0.00 C ATOM 700 C6 DG F 4 8.435 1.081 7.039 1.00 0.00 C ATOM 701 O6 DG F 4 8.175 1.879 7.931 1.00 0.00 O ATOM 702 N1 DG F 4 9.718 0.786 6.716 1.00 0.00 N ATOM 703 C2 DG F 4 10.057 -0.165 5.677 1.00 0.00 C ATOM 704 N2 DG F 4 11.366 -0.433 5.401 1.00 0.00 N ATOM 705 N3 DG F 4 9.164 -0.785 4.993 1.00 0.00 N ATOM 706 C4 DG F 4 7.751 -0.582 5.203 1.00 0.00 C ATOM 0 H5' DG F 4 3.360 -3.144 0.871 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.838 -4.229 2.145 1.00 0.00 H new ATOM 0 H4' DG F 4 5.313 -3.816 1.647 1.00 0.00 H new ATOM 0 H3' DG F 4 4.078 -4.290 4.344 1.00 0.00 H new ATOM 0 H2' DG F 4 5.929 -3.371 5.472 1.00 0.00 H new ATOM 0 H2'' DG F 4 7.032 -4.215 4.404 1.00 0.00 H new ATOM 0 H1' DG F 4 7.377 -2.303 3.124 1.00 0.00 H new ATOM 0 H8 DG F 4 4.602 -0.700 5.228 1.00 0.00 H new ATOM 0 H1 DG F 4 10.472 1.250 7.223 1.00 0.00 H new ATOM 0 H21 DG F 4 11.606 -1.102 4.670 1.00 0.00 H new ATOM 0 H22 DG F 4 12.104 0.036 5.926 1.00 0.00 H new ATOM 718 P DG F 5 5.332 -6.809 4.486 1.00 0.00 P ATOM 719 OP1 DG F 5 4.229 -7.833 4.183 1.00 0.00 O ATOM 720 OP2 DG F 5 5.180 -6.302 5.920 1.00 0.00 O ATOM 721 O5' DG F 5 6.743 -7.597 4.375 1.00 0.00 O ATOM 722 C5' DG F 5 7.932 -7.113 3.705 1.00 0.00 C ATOM 723 C4' DG F 5 9.143 -6.928 4.651 1.00 0.00 C ATOM 724 O4' DG F 5 9.147 -5.563 5.145 1.00 0.00 O ATOM 725 C3' DG F 5 9.198 -7.870 5.881 1.00 0.00 C ATOM 726 O3' DG F 5 10.551 -8.258 6.218 1.00 0.00 O ATOM 727 C2' DG F 5 8.724 -6.929 6.988 1.00 0.00 C ATOM 728 C1' DG F 5 9.372 -5.620 6.551 1.00 0.00 C ATOM 729 N9 DG F 5 8.891 -4.407 7.264 1.00 0.00 N ATOM 730 C8 DG F 5 7.610 -3.968 7.576 1.00 0.00 C ATOM 731 N7 DG F 5 7.409 -2.878 8.392 1.00 0.00 N ATOM 732 C5 DG F 5 8.737 -2.574 8.613 1.00 0.00 C ATOM 733 C6 DG F 5 9.317 -1.526 9.599 1.00 0.00 C ATOM 734 O6 DG F 5 8.622 -0.798 10.293 1.00 0.00 O ATOM 735 N1 DG F 5 10.670 -1.481 9.691 1.00 0.00 N ATOM 736 C2 DG F 5 11.522 -2.385 8.951 1.00 0.00 C ATOM 737 N2 DG F 5 12.878 -2.328 9.095 1.00 0.00 N ATOM 738 N3 DG F 5 11.055 -3.282 8.161 1.00 0.00 N ATOM 739 C4 DG F 5 9.639 -3.455 7.938 1.00 0.00 C ATOM 0 H5' DG F 5 7.707 -6.160 3.226 1.00 0.00 H new ATOM 0 H5'' DG F 5 8.203 -7.812 2.913 1.00 0.00 H new ATOM 0 H4' DG F 5 10.012 -7.177 4.041 1.00 0.00 H new ATOM 0 H3' DG F 5 8.632 -8.788 5.724 1.00 0.00 H new ATOM 0 H2' DG F 5 7.637 -6.857 7.032 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.062 -7.248 7.974 1.00 0.00 H new ATOM 0 H1' DG F 5 10.431 -5.617 6.809 1.00 0.00 H new ATOM 0 H8 DG F 5 6.757 -4.492 7.171 1.00 0.00 H new ATOM 0 H1 DG F 5 11.100 -0.787 10.302 1.00 0.00 H new ATOM 0 H21 DG F 5 13.474 -2.968 8.570 1.00 0.00 H new ATOM 0 H22 DG F 5 13.295 -1.645 9.727 1.00 0.00 H new ATOM 751 P DT F 6 11.363 -9.524 5.642 1.00 0.00 P ATOM 752 OP1 DT F 6 11.974 -9.245 4.269 1.00 0.00 O ATOM 753 OP2 DT F 6 10.462 -10.763 5.526 1.00 0.00 O ATOM 754 O5' DT F 6 12.552 -9.892 6.690 1.00 0.00 O ATOM 755 C5' DT F 6 12.264 -10.542 7.945 1.00 0.00 C ATOM 756 C4' DT F 6 12.478 -9.627 9.167 1.00 0.00 C ATOM 757 O4' DT F 6 11.555 -8.526 9.196 1.00 0.00 O ATOM 758 C3' DT F 6 12.210 -10.351 10.499 1.00 0.00 C ATOM 759 O3' DT F 6 13.388 -10.946 11.030 1.00 0.00 O ATOM 760 C2' DT F 6 11.660 -9.264 11.427 1.00 0.00 C ATOM 761 C1' DT F 6 11.557 -8.014 10.537 1.00 0.00 C ATOM 762 N1 DT F 6 10.376 -7.135 10.783 1.00 0.00 N ATOM 763 C2 DT F 6 10.561 -5.781 11.030 1.00 0.00 C ATOM 764 O2 DT F 6 11.675 -5.271 11.103 1.00 0.00 O ATOM 765 N3 DT F 6 9.504 -4.960 11.226 1.00 0.00 N ATOM 766 C4 DT F 6 8.213 -5.353 11.188 1.00 0.00 C ATOM 767 O4 DT F 6 7.336 -4.537 11.456 1.00 0.00 O ATOM 768 C5 DT F 6 7.921 -6.851 10.860 1.00 0.00 C ATOM 769 C7 DT F 6 6.490 -7.345 10.744 1.00 0.00 C ATOM 770 C6 DT F 6 8.990 -7.669 10.665 1.00 0.00 C ATOM 0 H5' DT F 6 12.898 -11.423 8.044 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.231 -10.891 7.937 1.00 0.00 H new ATOM 0 H4' DT F 6 13.514 -9.304 9.066 1.00 0.00 H new ATOM 0 H3' DT F 6 11.511 -11.179 10.375 1.00 0.00 H new ATOM 0 H2' DT F 6 10.688 -9.543 11.833 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.323 -9.094 12.275 1.00 0.00 H new ATOM 0 HO3' DT F 6 13.176 -11.394 11.876 1.00 0.00 H new ATOM 0 H1' DT F 6 12.391 -7.347 10.756 1.00 0.00 H new ATOM 0 H3 DT F 6 9.696 -3.976 11.416 1.00 0.00 H new ATOM 0 H71 DT F 6 5.847 -6.753 11.395 1.00 0.00 H new ATOM 0 H72 DT F 6 6.153 -7.245 9.712 1.00 0.00 H new ATOM 0 H73 DT F 6 6.441 -8.393 11.041 1.00 0.00 H new ATOM 0 H6 DT F 6 8.834 -8.710 10.424 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.823 14.284 6.857 1.00 0.00 C HETATM 786 O1 DMY A 7 16.187 15.434 6.591 1.00 0.00 O HETATM 787 N1 DMY A 7 14.947 13.922 7.922 1.00 0.00 N HETATM 788 C2 DMY A 7 14.321 14.769 8.856 1.00 0.00 C HETATM 789 C3 DMY A 7 13.475 14.326 9.851 1.00 0.00 C HETATM 790 C4 DMY A 7 13.285 15.393 10.735 1.00 0.00 C HETATM 791 N2 DMY A 7 13.947 16.547 10.258 1.00 0.00 N HETATM 792 C5 DMY A 7 14.583 16.112 9.096 1.00 0.00 C HETATM 793 C6 DMY A 7 13.857 17.933 10.784 1.00 0.00 C HETATM 794 C7 DMY A 7 12.626 15.332 12.134 1.00 0.00 C HETATM 795 O2 DMY A 7 13.115 16.068 13.006 1.00 0.00 O HETATM 796 N3 DMY A 7 11.471 14.499 12.355 1.00 0.00 N HETATM 797 C8 DMY A 7 10.582 14.611 13.462 1.00 0.00 C HETATM 798 C9 DMY A 7 9.510 13.777 13.744 1.00 0.00 C HETATM 799 C10 DMY A 7 8.749 14.397 14.768 1.00 0.00 C HETATM 800 N4 DMY A 7 9.331 15.644 15.103 1.00 0.00 N HETATM 801 C11 DMY A 7 10.437 15.730 14.269 1.00 0.00 C HETATM 802 C12 DMY A 7 8.818 16.725 15.979 1.00 0.00 C HETATM 803 C13 DMY A 7 7.430 13.879 15.412 1.00 0.00 C HETATM 804 O3 DMY A 7 6.908 14.553 16.311 1.00 0.00 O HETATM 805 N5 DMY A 7 6.888 12.630 14.957 1.00 0.00 N HETATM 806 C14 DMY A 7 5.668 12.032 15.358 1.00 0.00 C HETATM 807 C15 DMY A 7 5.274 10.761 15.022 1.00 0.00 C HETATM 808 C16 DMY A 7 3.968 10.567 15.507 1.00 0.00 C HETATM 809 N6 DMY A 7 3.518 11.750 16.165 1.00 0.00 N HETATM 810 C17 DMY A 7 4.608 12.622 16.041 1.00 0.00 C HETATM 811 C18 DMY A 7 2.212 12.082 16.788 1.00 0.00 C HETATM 812 C19 DMY A 7 3.179 9.248 15.273 1.00 0.00 C HETATM 813 O4 DMY A 7 3.716 8.289 14.717 1.00 0.00 O HETATM 814 N7 DMY A 7 1.903 9.161 15.675 1.00 0.00 N HETATM 815 C20 DMY A 7 1.057 8.002 15.323 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.165 7.886 16.254 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.152 6.805 15.803 1.00 0.00 C HETATM 818 N8 DMY A 7 -2.195 7.131 15.069 1.00 0.00 N HETATM 819 N9 DMY A 7 -1.007 5.546 16.180 1.00 0.00 N HETATM 0 HN92 DMY A 7 -1.675 4.840 15.869 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -0.227 5.280 16.782 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.174 7.663 17.266 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.678 8.847 16.294 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.720 8.097 14.291 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.648 7.088 15.383 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.425 12.021 16.037 1.00 0.00 H new HETATM 0 H182 DMY A 7 2.002 11.376 17.592 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.249 13.093 17.194 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.867 17.089 15.589 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.672 16.338 16.987 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.537 17.544 16.005 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -2.740 6.294 14.862 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.506 9.914 16.238 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.441 12.117 14.270 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.275 13.773 11.666 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.749 12.926 8.019 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.293 12.821 13.267 1.00 0.00 H new HETATM 0 H63 DMY A 7 12.825 18.278 10.726 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.187 17.950 11.823 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.493 18.589 10.190 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.204 16.743 8.460 1.00 0.00 H new HETATM 0 H3 DMY A 7 13.037 13.331 9.933 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.624 13.639 16.432 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.869 10.030 14.475 1.00 0.00 H new HETATM 0 H11 DMY A 7 11.116 16.582 14.250 1.00 0.00 H new HETATM 0 H1 DMY A 7 16.203 13.480 6.226 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.217 4.823 17.557 1.00 0.00 C HETATM 849 O1 DMY E 7 1.193 4.909 18.243 1.00 0.00 O HETATM 850 N1 DMY E 7 3.248 5.794 17.479 1.00 0.00 N HETATM 851 C2 DMY E 7 3.349 7.010 18.171 1.00 0.00 C HETATM 852 C3 DMY E 7 4.398 7.875 18.028 1.00 0.00 C HETATM 853 C4 DMY E 7 4.125 9.000 18.817 1.00 0.00 C HETATM 854 N2 DMY E 7 2.876 8.845 19.467 1.00 0.00 N HETATM 855 C5 DMY E 7 2.449 7.581 19.058 1.00 0.00 C HETATM 856 C6 DMY E 7 2.197 9.740 20.435 1.00 0.00 C HETATM 857 C7 DMY E 7 5.046 10.228 18.991 1.00 0.00 C HETATM 858 O2 DMY E 7 4.617 11.209 19.613 1.00 0.00 O HETATM 859 N3 DMY E 7 6.371 10.170 18.429 1.00 0.00 N HETATM 860 C8 DMY E 7 7.367 11.164 18.512 1.00 0.00 C HETATM 861 C9 DMY E 7 8.534 11.184 17.785 1.00 0.00 C HETATM 862 C10 DMY E 7 9.229 12.358 18.150 1.00 0.00 C HETATM 863 N4 DMY E 7 8.501 13.062 19.141 1.00 0.00 N HETATM 864 C11 DMY E 7 7.363 12.287 19.324 1.00 0.00 C HETATM 865 C12 DMY E 7 8.790 14.359 19.799 1.00 0.00 C HETATM 866 C13 DMY E 7 10.563 12.862 17.556 1.00 0.00 C HETATM 867 O3 DMY E 7 11.079 13.884 18.031 1.00 0.00 O HETATM 868 N5 DMY E 7 11.146 12.129 16.470 1.00 0.00 N HETATM 869 C14 DMY E 7 12.356 12.433 15.817 1.00 0.00 C HETATM 870 C15 DMY E 7 12.707 12.018 14.558 1.00 0.00 C HETATM 871 C16 DMY E 7 13.948 12.601 14.257 1.00 0.00 C HETATM 872 N6 DMY E 7 14.421 13.348 15.376 1.00 0.00 N HETATM 873 C17 DMY E 7 13.395 13.208 16.305 1.00 0.00 C HETATM 874 C18 DMY E 7 15.656 14.142 15.570 1.00 0.00 C HETATM 875 C19 DMY E 7 14.585 12.515 12.851 1.00 0.00 C HETATM 876 O4 DMY E 7 14.001 11.987 11.909 1.00 0.00 O HETATM 877 N7 DMY E 7 15.785 13.081 12.672 1.00 0.00 N HETATM 878 C20 DMY E 7 16.470 13.080 11.374 1.00 0.00 C HETATM 879 C21 DMY E 7 17.948 13.455 11.538 1.00 0.00 C HETATM 880 C22 DMY E 7 18.695 13.434 10.206 1.00 0.00 C HETATM 881 N8 DMY E 7 18.641 14.478 9.394 1.00 0.00 N HETATM 882 N9 DMY E 7 19.439 12.397 9.866 1.00 0.00 N HETATM 0 HN92 DMY E 7 19.933 12.395 8.974 1.00 0.00 H new HETATM 0 HN91 DMY E 7 19.519 11.599 10.496 1.00 0.00 H new HETATM 0 H212 DMY E 7 18.023 14.449 11.980 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.423 12.761 12.231 1.00 0.00 H new HETATM 0 H202 DMY E 7 16.389 12.094 10.916 1.00 0.00 H new HETATM 0 H201 DMY E 7 15.984 13.786 10.700 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.526 13.497 15.447 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.692 14.945 14.833 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.660 14.569 16.573 1.00 0.00 H new HETATM 0 H123 DMY E 7 9.746 14.298 20.319 1.00 0.00 H new HETATM 0 H122 DMY E 7 8.835 15.147 19.047 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.001 14.587 20.516 1.00 0.00 H new HETATM 0 HN8 DMY E 7 19.195 14.288 8.558 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.240 13.530 13.467 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.636 11.310 16.139 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.614 9.321 17.918 1.00 0.00 H new HETATM 0 HN1 DMY E 7 4.013 5.581 16.839 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.861 10.435 17.063 1.00 0.00 H new HETATM 0 H63 DMY E 7 2.826 9.867 21.316 1.00 0.00 H new HETATM 0 H62 DMY E 7 2.021 10.711 19.972 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.244 9.301 20.730 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.528 7.104 19.392 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.284 7.718 17.413 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.407 13.655 17.299 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.129 11.358 13.911 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.563 12.533 20.022 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.339 3.920 16.958 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.327 7.211 -2.035 1.00 0.00 C HETATM 912 O1 DMY B 7 3.014 7.580 -3.170 1.00 0.00 O HETATM 913 N1 DMY B 7 3.980 5.986 -1.720 1.00 0.00 N HETATM 914 C2 DMY B 7 4.469 5.007 -2.606 1.00 0.00 C HETATM 915 C3 DMY B 7 5.195 3.904 -2.215 1.00 0.00 C HETATM 916 C4 DMY B 7 5.475 3.157 -3.361 1.00 0.00 C HETATM 917 N2 DMY B 7 4.949 3.810 -4.506 1.00 0.00 N HETATM 918 C5 DMY B 7 4.339 4.953 -3.988 1.00 0.00 C HETATM 919 C6 DMY B 7 5.155 3.474 -5.941 1.00 0.00 C HETATM 920 C7 DMY B 7 6.223 1.803 -3.434 1.00 0.00 C HETATM 921 O2 DMY B 7 5.939 1.083 -4.400 1.00 0.00 O HETATM 922 N3 DMY B 7 7.213 1.448 -2.434 1.00 0.00 N HETATM 923 C8 DMY B 7 8.112 0.340 -2.516 1.00 0.00 C HETATM 924 C9 DMY B 7 9.061 -0.036 -1.570 1.00 0.00 C HETATM 925 C10 DMY B 7 9.820 -1.093 -2.137 1.00 0.00 C HETATM 926 N4 DMY B 7 9.351 -1.374 -3.443 1.00 0.00 N HETATM 927 C11 DMY B 7 8.310 -0.478 -3.624 1.00 0.00 C HETATM 928 C12 DMY B 7 9.864 -2.330 -4.458 1.00 0.00 C HETATM 929 C13 DMY B 7 11.040 -1.831 -1.521 1.00 0.00 C HETATM 930 O3 DMY B 7 11.684 -2.583 -2.261 1.00 0.00 O HETATM 931 N5 DMY B 7 11.356 -1.650 -0.129 1.00 0.00 N HETATM 932 C14 DMY B 7 12.458 -2.229 0.558 1.00 0.00 C HETATM 933 C15 DMY B 7 12.766 -2.031 1.888 1.00 0.00 C HETATM 934 C16 DMY B 7 13.979 -2.717 2.147 1.00 0.00 C HETATM 935 N6 DMY B 7 14.442 -3.339 0.964 1.00 0.00 N HETATM 936 C17 DMY B 7 13.461 -3.042 0.028 1.00 0.00 C HETATM 937 C18 DMY B 7 15.717 -4.051 0.691 1.00 0.00 C HETATM 938 C19 DMY B 7 14.768 -2.759 3.479 1.00 0.00 C HETATM 939 O4 DMY B 7 15.901 -3.246 3.519 1.00 0.00 O HETATM 940 N7 DMY B 7 14.178 -2.306 4.592 1.00 0.00 N HETATM 941 C20 DMY B 7 14.934 -2.060 5.840 1.00 0.00 C HETATM 942 C21 DMY B 7 15.424 -3.335 6.557 1.00 0.00 C HETATM 943 C22 DMY B 7 16.565 -3.126 7.554 1.00 0.00 C HETATM 944 N8 DMY B 7 16.320 -2.917 8.832 1.00 0.00 N HETATM 945 N9 DMY B 7 17.821 -3.224 7.171 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.573 -3.082 7.846 1.00 0.00 H new HETATM 0 HN91 DMY B 7 18.042 -3.442 6.199 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.581 -3.783 7.083 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.748 -4.054 5.804 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.796 -1.435 5.609 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.304 -1.493 6.525 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.554 -3.372 0.850 1.00 0.00 H new HETATM 0 H182 DMY B 7 15.809 -4.904 1.364 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.725 -4.401 -0.341 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.893 -2.076 -4.710 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.829 -3.342 -4.055 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.247 -2.275 -5.355 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.133 -2.481 9.268 1.00 0.00 H new HETATM 0 HN7 DMY B 7 13.174 -2.124 4.579 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.733 -1.052 0.414 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.272 2.038 -1.604 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.110 5.793 -0.727 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.196 0.399 -0.580 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.217 3.531 -6.179 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.794 2.464 -6.134 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.605 4.181 -6.563 1.00 0.00 H new HETATM 0 H5 DMY B 7 3.828 5.705 -4.589 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.496 3.659 -1.197 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.473 -3.402 -1.001 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.184 -1.454 2.607 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.712 -0.420 -4.534 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.084 7.877 -1.207 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.813 -6.212 8.277 1.00 0.00 C HETATM 975 O1 DMY F 7 14.956 -6.675 8.252 1.00 0.00 O HETATM 976 N1 DMY F 7 13.016 -5.915 7.145 1.00 0.00 N HETATM 977 C2 DMY F 7 13.335 -6.068 5.787 1.00 0.00 C HETATM 978 C3 DMY F 7 12.565 -5.582 4.770 1.00 0.00 C HETATM 979 C4 DMY F 7 13.103 -6.051 3.565 1.00 0.00 C HETATM 980 N2 DMY F 7 14.305 -6.762 3.823 1.00 0.00 N HETATM 981 C5 DMY F 7 14.375 -6.789 5.219 1.00 0.00 C HETATM 982 C6 DMY F 7 15.286 -7.373 2.893 1.00 0.00 C HETATM 983 C7 DMY F 7 12.408 -5.957 2.184 1.00 0.00 C HETATM 984 O2 DMY F 7 12.949 -6.452 1.186 1.00 0.00 O HETATM 985 N3 DMY F 7 11.128 -5.294 2.133 1.00 0.00 N HETATM 986 C8 DMY F 7 10.292 -5.142 1.011 1.00 0.00 C HETATM 987 C9 DMY F 7 9.262 -4.236 0.903 1.00 0.00 C HETATM 988 C10 DMY F 7 8.672 -4.429 -0.363 1.00 0.00 C HETATM 989 N4 DMY F 7 9.307 -5.508 -1.030 1.00 0.00 N HETATM 990 C11 DMY F 7 10.311 -5.899 -0.148 1.00 0.00 C HETATM 991 C12 DMY F 7 8.980 -6.148 -2.328 1.00 0.00 C HETATM 992 C13 DMY F 7 7.521 -3.600 -0.983 1.00 0.00 C HETATM 993 O3 DMY F 7 7.125 -3.900 -2.118 1.00 0.00 O HETATM 994 N5 DMY F 7 6.958 -2.515 -0.222 1.00 0.00 N HETATM 995 C14 DMY F 7 5.884 -1.683 -0.615 1.00 0.00 C HETATM 996 C15 DMY F 7 5.538 -0.491 -0.023 1.00 0.00 C HETATM 997 C16 DMY F 7 4.432 0.022 -0.722 1.00 0.00 C HETATM 998 N6 DMY F 7 4.071 -0.864 -1.780 1.00 0.00 N HETATM 999 C17 DMY F 7 4.982 -1.908 -1.644 1.00 0.00 C HETATM 1000 C18 DMY F 7 3.115 -0.702 -2.902 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.786 1.388 -0.382 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.295 2.156 0.429 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.681 1.740 -1.052 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.907 2.944 -0.716 1.00 0.00 C HETATM 1005 C21 DMY F 7 0.969 3.307 -1.880 1.00 0.00 C HETATM 1006 C22 DMY F 7 -0.035 4.404 -1.527 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.232 4.095 -1.062 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.243 5.669 -1.781 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.431 6.397 -1.543 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.132 5.919 -2.215 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.567 3.631 -2.732 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.427 2.415 -2.193 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.326 2.772 0.190 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.582 3.775 -0.509 1.00 0.00 H new HETATM 0 H183 DMY F 7 2.115 -0.529 -2.505 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.415 0.148 -3.515 1.00 0.00 H new HETATM 0 H181 DMY F 7 3.112 -1.606 -3.511 1.00 0.00 H new HETATM 0 H123 DMY F 7 7.970 -6.555 -2.289 1.00 0.00 H new HETATM 0 H122 DMY F 7 9.042 -5.407 -3.125 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.688 -6.953 -2.525 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.759 4.950 -0.884 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.365 1.152 -1.823 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.375 -2.328 0.690 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.791 -4.890 3.007 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.088 -5.541 7.343 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.959 -3.507 1.654 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.789 -8.129 2.285 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.701 -6.602 2.244 1.00 0.00 H new HETATM 0 H61 DMY F 7 16.089 -7.837 3.465 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.146 -7.309 5.787 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.688 -4.943 4.877 1.00 0.00 H new HETATM 0 H17 DMY F 7 4.986 -2.798 -2.273 1.00 0.00 H new HETATM 0 H15 DMY F 7 6.031 -0.029 0.832 1.00 0.00 H new HETATM 0 H11 DMY F 7 11.023 -6.701 -0.345 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.378 -6.014 9.257 1.00 0.00 H new