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 -30:sc= -0.367 (180deg=-0.442) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-2.07) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= -0.0637 (180deg=-0.0637) 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+ -163:sc= 0.939 (180deg=0.733) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.0483 (180deg=-0.0483) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl 150:sc= -0.459 (180deg=-0.459) 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= -0.784 (180deg=-0.784) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= 0 (180deg=-1.07) 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 12.294 19.330 7.790 1.00 0.00 O ATOM 2 C5' DT A 1 11.936 18.417 6.752 1.00 0.00 C ATOM 3 C4' DT A 1 10.540 17.812 6.998 1.00 0.00 C ATOM 4 O4' DT A 1 10.251 16.929 5.892 1.00 0.00 O ATOM 5 C3' DT A 1 10.432 16.975 8.286 1.00 0.00 C ATOM 6 O3' DT A 1 9.152 17.187 8.914 1.00 0.00 O ATOM 7 C2' DT A 1 10.565 15.547 7.775 1.00 0.00 C ATOM 8 C1' DT A 1 9.926 15.614 6.389 1.00 0.00 C ATOM 9 N1 DT A 1 10.418 14.572 5.445 1.00 0.00 N ATOM 10 C2 DT A 1 9.527 13.696 4.851 1.00 0.00 C ATOM 11 O2 DT A 1 8.313 13.797 5.018 1.00 0.00 O ATOM 12 N3 DT A 1 9.946 12.711 4.029 1.00 0.00 N ATOM 13 C4 DT A 1 11.243 12.508 3.688 1.00 0.00 C ATOM 14 O4 DT A 1 11.554 11.640 2.880 1.00 0.00 O ATOM 15 C5 DT A 1 12.307 13.465 4.315 1.00 0.00 C ATOM 16 C7 DT A 1 13.776 13.289 3.980 1.00 0.00 C ATOM 17 C6 DT A 1 11.870 14.436 5.144 1.00 0.00 C ATOM 0 H5' DT A 1 12.676 17.619 6.695 1.00 0.00 H new ATOM 0 H5'' DT A 1 11.948 18.932 5.791 1.00 0.00 H new ATOM 0 H4' DT A 1 9.845 18.646 7.095 1.00 0.00 H new ATOM 0 H3' DT A 1 11.179 17.228 9.039 1.00 0.00 H new ATOM 0 H2' DT A 1 11.607 15.233 7.723 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.050 14.838 8.423 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.184 19.697 7.610 1.00 0.00 H new ATOM 0 H1' DT A 1 8.855 15.429 6.467 1.00 0.00 H new ATOM 0 H3 DT A 1 9.244 12.081 3.640 1.00 0.00 H new ATOM 0 H71 DT A 1 13.979 12.238 3.773 1.00 0.00 H new ATOM 0 H72 DT A 1 14.023 13.886 3.102 1.00 0.00 H new ATOM 0 H73 DT A 1 14.383 13.616 4.824 1.00 0.00 H new ATOM 0 H6 DT A 1 12.577 15.118 5.592 1.00 0.00 H new ATOM 31 P DG A 2 9.005 16.862 10.487 1.00 0.00 P ATOM 32 OP1 DG A 2 9.936 17.834 11.230 1.00 0.00 O ATOM 33 OP2 DG A 2 9.466 15.434 10.687 1.00 0.00 O ATOM 34 O5' DG A 2 7.494 17.019 11.020 1.00 0.00 O ATOM 35 C5' DG A 2 6.420 17.747 10.391 1.00 0.00 C ATOM 36 C4' DG A 2 5.152 16.871 10.236 1.00 0.00 C ATOM 37 O4' DG A 2 5.296 16.047 9.058 1.00 0.00 O ATOM 38 C3' DG A 2 4.850 15.944 11.439 1.00 0.00 C ATOM 39 O3' DG A 2 3.452 15.990 11.791 1.00 0.00 O ATOM 40 C2' DG A 2 5.270 14.574 10.913 1.00 0.00 C ATOM 41 C1' DG A 2 5.049 14.676 9.402 1.00 0.00 C ATOM 42 N9 DG A 2 5.965 13.789 8.630 1.00 0.00 N ATOM 43 C8 DG A 2 7.351 13.716 8.623 1.00 0.00 C ATOM 44 N7 DG A 2 8.027 12.734 7.940 1.00 0.00 N ATOM 45 C5 DG A 2 6.913 12.125 7.392 1.00 0.00 C ATOM 46 C6 DG A 2 6.883 10.956 6.380 1.00 0.00 C ATOM 47 O6 DG A 2 7.897 10.407 5.962 1.00 0.00 O ATOM 48 N1 DG A 2 5.651 10.580 5.952 1.00 0.00 N ATOM 49 C2 DG A 2 4.438 11.254 6.377 1.00 0.00 C ATOM 50 N2 DG A 2 3.232 10.857 5.887 1.00 0.00 N ATOM 51 N3 DG A 2 4.460 12.255 7.179 1.00 0.00 N ATOM 52 C4 DG A 2 5.676 12.744 7.772 1.00 0.00 C ATOM 0 H5' DG A 2 6.743 18.098 9.411 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.182 18.630 10.984 1.00 0.00 H new ATOM 0 H4' DG A 2 4.317 17.568 10.165 1.00 0.00 H new ATOM 0 H3' DG A 2 5.371 16.223 12.355 1.00 0.00 H new ATOM 0 H2' DG A 2 6.311 14.357 11.151 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.670 13.777 11.352 1.00 0.00 H new ATOM 0 H1' DG A 2 4.037 14.357 9.152 1.00 0.00 H new ATOM 0 H8 DG A 2 7.916 14.455 9.172 1.00 0.00 H new ATOM 0 H1 DG A 2 5.575 9.794 5.307 1.00 0.00 H new ATOM 0 H21 DG A 2 2.379 11.331 6.186 1.00 0.00 H new ATOM 0 H22 DG A 2 3.181 10.086 5.221 1.00 0.00 H new ATOM 64 P DG A 3 2.856 15.243 13.105 1.00 0.00 P ATOM 65 OP1 DG A 3 1.804 16.158 13.749 1.00 0.00 O ATOM 66 OP2 DG A 3 3.953 15.010 14.142 1.00 0.00 O ATOM 67 O5' DG A 3 2.183 13.840 12.674 1.00 0.00 O ATOM 68 C5' DG A 3 1.340 13.672 11.502 1.00 0.00 C ATOM 69 C4' DG A 3 1.345 12.218 10.977 1.00 0.00 C ATOM 70 O4' DG A 3 2.550 11.969 10.186 1.00 0.00 O ATOM 71 C3' DG A 3 1.281 11.131 12.092 1.00 0.00 C ATOM 72 O3' DG A 3 0.346 10.070 11.797 1.00 0.00 O ATOM 73 C2' DG A 3 2.666 10.511 11.941 1.00 0.00 C ATOM 74 C1' DG A 3 2.862 10.598 10.439 1.00 0.00 C ATOM 75 N9 DG A 3 4.205 10.130 9.997 1.00 0.00 N ATOM 76 C8 DG A 3 5.505 10.458 10.365 1.00 0.00 C ATOM 77 N7 DG A 3 6.583 9.702 9.940 1.00 0.00 N ATOM 78 C5 DG A 3 5.860 8.776 9.197 1.00 0.00 C ATOM 79 C6 DG A 3 6.398 7.619 8.308 1.00 0.00 C ATOM 80 O6 DG A 3 7.587 7.356 8.201 1.00 0.00 O ATOM 81 N1 DG A 3 5.465 6.908 7.621 1.00 0.00 N ATOM 82 C2 DG A 3 4.050 7.214 7.701 1.00 0.00 C ATOM 83 N2 DG A 3 3.148 6.493 6.982 1.00 0.00 N ATOM 84 N3 DG A 3 3.605 8.167 8.428 1.00 0.00 N ATOM 85 C4 DG A 3 4.455 9.020 9.212 1.00 0.00 C ATOM 0 H5' DG A 3 1.682 14.342 10.713 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.319 13.963 11.747 1.00 0.00 H new ATOM 0 H4' DG A 3 0.438 12.133 10.379 1.00 0.00 H new ATOM 0 H3' DG A 3 0.995 11.551 13.056 1.00 0.00 H new ATOM 0 H2' DG A 3 3.428 11.066 12.489 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.699 9.483 12.302 1.00 0.00 H new ATOM 0 H1' DG A 3 2.232 9.929 9.852 1.00 0.00 H new ATOM 0 H8 DG A 3 5.677 11.319 10.994 1.00 0.00 H new ATOM 0 H1 DG A 3 5.770 6.134 7.030 1.00 0.00 H new ATOM 0 H21 DG A 3 2.154 6.714 7.043 1.00 0.00 H new ATOM 0 H22 DG A 3 3.466 5.732 6.382 1.00 0.00 H new ATOM 97 P DG A 4 -1.130 9.863 12.403 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.115 10.894 11.849 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.146 9.979 13.940 1.00 0.00 O ATOM 100 O5' DG A 4 -1.641 8.370 12.062 1.00 0.00 O ATOM 101 C5' DG A 4 -1.741 7.804 10.721 1.00 0.00 C ATOM 102 C4' DG A 4 -1.214 6.345 10.630 1.00 0.00 C ATOM 103 O4' DG A 4 0.185 6.349 10.240 1.00 0.00 O ATOM 104 C3' DG A 4 -1.304 5.523 11.946 1.00 0.00 C ATOM 105 O3' DG A 4 -1.849 4.205 11.748 1.00 0.00 O ATOM 106 C2' DG A 4 0.170 5.395 12.327 1.00 0.00 C ATOM 107 C1' DG A 4 0.806 5.278 10.950 1.00 0.00 C ATOM 108 N9 DG A 4 2.294 5.362 10.952 1.00 0.00 N ATOM 109 C8 DG A 4 3.206 6.126 11.674 1.00 0.00 C ATOM 110 N7 DG A 4 4.565 5.892 11.595 1.00 0.00 N ATOM 111 C5 DG A 4 4.503 4.868 10.660 1.00 0.00 C ATOM 112 C6 DG A 4 5.680 4.079 10.025 1.00 0.00 C ATOM 113 O6 DG A 4 6.848 4.258 10.346 1.00 0.00 O ATOM 114 N1 DG A 4 5.341 3.158 9.084 1.00 0.00 N ATOM 115 C2 DG A 4 3.960 2.902 8.718 1.00 0.00 C ATOM 116 N2 DG A 4 3.650 1.953 7.793 1.00 0.00 N ATOM 117 N3 DG A 4 2.985 3.531 9.260 1.00 0.00 N ATOM 118 C4 DG A 4 3.171 4.558 10.248 1.00 0.00 C ATOM 0 H5' DG A 4 -1.180 8.430 10.027 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.783 7.828 10.401 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.866 5.870 9.897 1.00 0.00 H new ATOM 0 H3' DG A 4 -1.951 5.996 12.685 1.00 0.00 H new ATOM 0 H2' DG A 4 0.532 6.263 12.878 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.363 4.520 12.948 1.00 0.00 H new ATOM 0 H1' DG A 4 0.645 4.300 10.497 1.00 0.00 H new ATOM 0 H8 DG A 4 2.843 6.920 12.310 1.00 0.00 H new ATOM 0 H1 DG A 4 6.081 2.630 8.621 1.00 0.00 H new ATOM 0 H21 DG A 4 2.676 1.782 7.544 1.00 0.00 H new ATOM 0 H22 DG A 4 4.392 1.412 7.349 1.00 0.00 H new ATOM 130 P DG A 5 -2.522 3.364 12.949 1.00 0.00 P ATOM 131 OP1 DG A 5 -3.865 4.005 13.321 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.664 3.465 14.219 1.00 0.00 O ATOM 133 O5' DG A 5 -2.734 1.816 12.526 1.00 0.00 O ATOM 134 C5' DG A 5 -3.147 1.369 11.201 1.00 0.00 C ATOM 135 C4' DG A 5 -2.360 0.116 10.745 1.00 0.00 C ATOM 136 O4' DG A 5 -0.995 0.515 10.478 1.00 0.00 O ATOM 137 C3' DG A 5 -2.327 -1.019 11.806 1.00 0.00 C ATOM 138 O3' DG A 5 -2.536 -2.336 11.242 1.00 0.00 O ATOM 139 C2' DG A 5 -0.895 -0.904 12.320 1.00 0.00 C ATOM 140 C1' DG A 5 -0.134 -0.450 11.075 1.00 0.00 C ATOM 141 N9 DG A 5 1.215 0.118 11.365 1.00 0.00 N ATOM 142 C8 DG A 5 1.670 1.040 12.304 1.00 0.00 C ATOM 143 N7 DG A 5 3.017 1.286 12.477 1.00 0.00 N ATOM 144 C5 DG A 5 3.471 0.441 11.475 1.00 0.00 C ATOM 145 C6 DG A 5 4.940 0.141 11.070 1.00 0.00 C ATOM 146 O6 DG A 5 5.907 0.623 11.652 1.00 0.00 O ATOM 147 N1 DG A 5 5.101 -0.713 10.024 1.00 0.00 N ATOM 148 C2 DG A 5 3.973 -1.311 9.325 1.00 0.00 C ATOM 149 N2 DG A 5 4.183 -2.148 8.271 1.00 0.00 N ATOM 150 N3 DG A 5 2.764 -1.098 9.690 1.00 0.00 N ATOM 151 C4 DG A 5 2.416 -0.222 10.773 1.00 0.00 C ATOM 0 H5' DG A 5 -2.996 2.174 10.482 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.214 1.145 11.209 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.867 -0.278 9.864 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.113 -0.913 12.554 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.812 -0.182 13.132 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.522 -1.855 12.699 1.00 0.00 H new ATOM 0 H1' DG A 5 0.086 -1.294 10.421 1.00 0.00 H new ATOM 0 H8 DG A 5 0.953 1.574 12.910 1.00 0.00 H new ATOM 0 H1 DG A 5 6.047 -0.943 9.718 1.00 0.00 H new ATOM 0 H21 DG A 5 3.389 -2.565 7.784 1.00 0.00 H new ATOM 0 H22 DG A 5 5.134 -2.358 7.968 1.00 0.00 H new ATOM 163 P DT A 6 -3.070 -3.601 12.113 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.564 -3.831 11.839 1.00 0.00 O ATOM 165 OP2 DT A 6 -2.898 -3.370 13.618 1.00 0.00 O ATOM 166 O5' DT A 6 -2.264 -4.947 11.710 1.00 0.00 O ATOM 167 C5' DT A 6 -2.195 -5.445 10.355 1.00 0.00 C ATOM 168 C4' DT A 6 -0.782 -5.938 9.987 1.00 0.00 C ATOM 169 O4' DT A 6 0.163 -4.861 10.019 1.00 0.00 O ATOM 170 C3' DT A 6 -0.175 -6.994 10.917 1.00 0.00 C ATOM 171 O3' DT A 6 -0.642 -8.308 10.629 1.00 0.00 O ATOM 172 C2' DT A 6 1.312 -6.865 10.592 1.00 0.00 C ATOM 173 C1' DT A 6 1.499 -5.399 10.140 1.00 0.00 C ATOM 174 N1 DT A 6 2.336 -4.621 11.096 1.00 0.00 N ATOM 175 C2 DT A 6 3.709 -4.566 10.921 1.00 0.00 C ATOM 176 O2 DT A 6 4.288 -5.191 10.034 1.00 0.00 O ATOM 177 N3 DT A 6 4.491 -3.850 11.755 1.00 0.00 N ATOM 178 C4 DT A 6 4.035 -3.164 12.829 1.00 0.00 C ATOM 179 O4 DT A 6 4.834 -2.565 13.543 1.00 0.00 O ATOM 180 C5 DT A 6 2.499 -3.220 13.117 1.00 0.00 C ATOM 181 C7 DT A 6 1.915 -2.508 14.323 1.00 0.00 C ATOM 182 C6 DT A 6 1.718 -3.899 12.243 1.00 0.00 C ATOM 0 H5' DT A 6 -2.494 -4.657 9.664 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.906 -6.262 10.233 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.940 -6.373 9.000 1.00 0.00 H new ATOM 0 H3' DT A 6 -0.431 -6.841 11.965 1.00 0.00 H new ATOM 0 H2' DT A 6 1.927 -7.091 11.463 1.00 0.00 H new ATOM 0 H2'' DT A 6 1.606 -7.561 9.806 1.00 0.00 H new ATOM 0 HO3' DT A 6 -0.226 -8.946 11.246 1.00 0.00 H new ATOM 0 H1' DT A 6 2.037 -5.339 9.194 1.00 0.00 H new ATOM 0 H3 DT A 6 5.493 -3.824 11.564 1.00 0.00 H new ATOM 0 H71 DT A 6 2.656 -2.477 15.122 1.00 0.00 H new ATOM 0 H72 DT A 6 1.638 -1.491 14.046 1.00 0.00 H new ATOM 0 H73 DT A 6 1.031 -3.044 14.669 1.00 0.00 H new ATOM 0 H6 DT A 6 0.647 -3.917 12.378 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.924 7.474 -6.909 1.00 0.00 O ATOM 198 C5' DT B 1 7.761 6.313 -6.091 1.00 0.00 C ATOM 199 C4' DT B 1 8.978 6.092 -5.173 1.00 0.00 C ATOM 200 O4' DT B 1 9.101 7.220 -4.271 1.00 0.00 O ATOM 201 C3' DT B 1 8.840 4.823 -4.297 1.00 0.00 C ATOM 202 O3' DT B 1 10.068 4.081 -4.240 1.00 0.00 O ATOM 203 C2' DT B 1 8.560 5.399 -2.918 1.00 0.00 C ATOM 204 C1' DT B 1 9.331 6.718 -2.942 1.00 0.00 C ATOM 205 N1 DT B 1 8.882 7.700 -1.914 1.00 0.00 N ATOM 206 C2 DT B 1 9.757 8.121 -0.928 1.00 0.00 C ATOM 207 O2 DT B 1 10.929 7.751 -0.894 1.00 0.00 O ATOM 208 N3 DT B 1 9.371 8.979 0.039 1.00 0.00 N ATOM 209 C4 DT B 1 8.134 9.518 0.124 1.00 0.00 C ATOM 210 O4 DT B 1 7.863 10.325 1.004 1.00 0.00 O ATOM 211 C5 DT B 1 7.097 9.115 -0.972 1.00 0.00 C ATOM 212 C7 DT B 1 5.698 9.693 -0.931 1.00 0.00 C ATOM 213 C6 DT B 1 7.489 8.231 -1.917 1.00 0.00 C ATOM 0 H5' DT B 1 7.619 5.438 -6.725 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.861 6.418 -5.485 1.00 0.00 H new ATOM 0 H4' DT B 1 9.847 5.980 -5.821 1.00 0.00 H new ATOM 0 H3' DT B 1 8.080 4.141 -4.678 1.00 0.00 H new ATOM 0 H2' DT B 1 7.494 5.556 -2.754 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.911 4.739 -2.125 1.00 0.00 H new ATOM 0 HO5' DT B 1 7.136 7.585 -7.480 1.00 0.00 H new ATOM 0 H1' DT B 1 10.383 6.561 -2.704 1.00 0.00 H new ATOM 0 H3 DT B 1 10.055 9.237 0.750 1.00 0.00 H new ATOM 0 H71 DT B 1 5.305 9.768 -1.945 1.00 0.00 H new ATOM 0 H72 DT B 1 5.053 9.043 -0.339 1.00 0.00 H new ATOM 0 H73 DT B 1 5.727 10.685 -0.479 1.00 0.00 H new ATOM 0 H6 DT B 1 6.791 7.909 -2.676 1.00 0.00 H new ATOM 227 P DG B 2 10.378 2.843 -5.231 1.00 0.00 P ATOM 228 OP1 DG B 2 10.738 3.394 -6.619 1.00 0.00 O ATOM 229 OP2 DG B 2 9.109 2.001 -5.413 1.00 0.00 O ATOM 230 O5' DG B 2 11.592 1.936 -4.652 1.00 0.00 O ATOM 231 C5' DG B 2 12.980 2.370 -4.532 1.00 0.00 C ATOM 232 C4' DG B 2 13.579 2.241 -3.107 1.00 0.00 C ATOM 233 O4' DG B 2 13.258 3.423 -2.354 1.00 0.00 O ATOM 234 C3' DG B 2 13.115 1.040 -2.251 1.00 0.00 C ATOM 235 O3' DG B 2 13.979 -0.133 -2.270 1.00 0.00 O ATOM 236 C2' DG B 2 12.931 1.619 -0.844 1.00 0.00 C ATOM 237 C1' DG B 2 13.322 3.105 -0.959 1.00 0.00 C ATOM 238 N9 DG B 2 12.393 4.013 -0.226 1.00 0.00 N ATOM 239 C8 DG B 2 11.018 4.134 -0.328 1.00 0.00 C ATOM 240 N7 DG B 2 10.293 4.944 0.514 1.00 0.00 N ATOM 241 C5 DG B 2 11.375 5.472 1.200 1.00 0.00 C ATOM 242 C6 DG B 2 11.353 6.598 2.266 1.00 0.00 C ATOM 243 O6 DG B 2 10.319 7.123 2.665 1.00 0.00 O ATOM 244 N1 DG B 2 12.566 7.010 2.713 1.00 0.00 N ATOM 245 C2 DG B 2 13.810 6.475 2.193 1.00 0.00 C ATOM 246 N2 DG B 2 14.993 6.984 2.632 1.00 0.00 N ATOM 247 N3 DG B 2 13.837 5.560 1.294 1.00 0.00 N ATOM 248 C4 DG B 2 12.641 4.972 0.746 1.00 0.00 C ATOM 0 H5' DG B 2 13.049 3.411 -4.848 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.590 1.786 -5.222 1.00 0.00 H new ATOM 0 H4' DG B 2 14.643 2.091 -3.293 1.00 0.00 H new ATOM 0 H3' DG B 2 12.197 0.625 -2.668 1.00 0.00 H new ATOM 0 H2' DG B 2 11.901 1.509 -0.505 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.561 1.102 -0.121 1.00 0.00 H new ATOM 0 H1' DG B 2 14.310 3.248 -0.521 1.00 0.00 H new ATOM 0 H8 DG B 2 10.499 3.575 -1.092 1.00 0.00 H new ATOM 0 H1 DG B 2 12.605 7.722 3.442 1.00 0.00 H new ATOM 0 H21 DG B 2 15.873 6.614 2.272 1.00 0.00 H new ATOM 0 H22 DG B 2 15.000 7.736 3.321 1.00 0.00 H new ATOM 260 P DG B 3 15.573 -0.183 -1.961 1.00 0.00 P ATOM 261 OP1 DG B 3 16.340 -0.087 -3.289 1.00 0.00 O ATOM 262 OP2 DG B 3 15.935 -1.523 -1.314 1.00 0.00 O ATOM 263 O5' DG B 3 15.983 1.062 -1.007 1.00 0.00 O ATOM 264 C5' DG B 3 17.156 1.142 -0.166 1.00 0.00 C ATOM 265 C4' DG B 3 16.808 1.348 1.330 1.00 0.00 C ATOM 266 O4' DG B 3 15.682 2.236 1.562 1.00 0.00 O ATOM 267 C3' DG B 3 16.453 0.059 2.091 1.00 0.00 C ATOM 268 O3' DG B 3 17.627 -0.666 2.563 1.00 0.00 O ATOM 269 C2' DG B 3 15.474 0.535 3.174 1.00 0.00 C ATOM 270 C1' DG B 3 15.363 2.047 2.952 1.00 0.00 C ATOM 271 N9 DG B 3 14.025 2.589 3.343 1.00 0.00 N ATOM 272 C8 DG B 3 12.734 2.283 2.932 1.00 0.00 C ATOM 273 N7 DG B 3 11.627 2.834 3.546 1.00 0.00 N ATOM 274 C5 DG B 3 12.320 3.621 4.456 1.00 0.00 C ATOM 275 C6 DG B 3 11.736 4.620 5.492 1.00 0.00 C ATOM 276 O6 DG B 3 10.535 4.803 5.635 1.00 0.00 O ATOM 277 N1 DG B 3 12.644 5.308 6.232 1.00 0.00 N ATOM 278 C2 DG B 3 14.076 5.140 6.052 1.00 0.00 C ATOM 279 N2 DG B 3 14.945 5.862 6.807 1.00 0.00 N ATOM 280 N3 DG B 3 14.556 4.326 5.187 1.00 0.00 N ATOM 281 C4 DG B 3 13.740 3.508 4.338 1.00 0.00 C ATOM 0 H5' DG B 3 17.785 1.965 -0.505 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.740 0.228 -0.276 1.00 0.00 H new ATOM 0 H4' DG B 3 17.739 1.776 1.701 1.00 0.00 H new ATOM 0 H3' DG B 3 15.987 -0.703 1.466 1.00 0.00 H new ATOM 0 H2' DG B 3 14.504 0.047 3.075 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.845 0.307 4.173 1.00 0.00 H new ATOM 0 H1' DG B 3 16.046 2.608 3.589 1.00 0.00 H new ATOM 0 H8 DG B 3 12.592 1.596 2.111 1.00 0.00 H new ATOM 0 H1 DG B 3 12.309 5.964 6.937 1.00 0.00 H new ATOM 0 H21 DG B 3 15.950 5.744 6.681 1.00 0.00 H new ATOM 0 H22 DG B 3 14.592 6.522 7.500 1.00 0.00 H new ATOM 293 P DG B 4 18.473 -0.459 3.940 1.00 0.00 P ATOM 294 OP1 DG B 4 19.920 -0.906 3.685 1.00 0.00 O ATOM 295 OP2 DG B 4 17.897 -1.357 5.045 1.00 0.00 O ATOM 296 O5' DG B 4 18.446 1.098 4.388 1.00 0.00 O ATOM 297 C5' DG B 4 19.311 1.713 5.382 1.00 0.00 C ATOM 298 C4' DG B 4 18.665 1.880 6.778 1.00 0.00 C ATOM 299 O4' DG B 4 17.285 2.331 6.708 1.00 0.00 O ATOM 300 C3' DG B 4 18.669 0.603 7.656 1.00 0.00 C ATOM 301 O3' DG B 4 19.520 0.731 8.815 1.00 0.00 O ATOM 302 C2' DG B 4 17.216 0.521 8.114 1.00 0.00 C ATOM 303 C1' DG B 4 16.721 1.950 7.963 1.00 0.00 C ATOM 304 N9 DG B 4 15.236 2.027 8.004 1.00 0.00 N ATOM 305 C8 DG B 4 14.259 1.435 7.222 1.00 0.00 C ATOM 306 N7 DG B 4 12.919 1.606 7.492 1.00 0.00 N ATOM 307 C5 DG B 4 13.074 2.450 8.582 1.00 0.00 C ATOM 308 C6 DG B 4 11.967 3.077 9.471 1.00 0.00 C ATOM 309 O6 DG B 4 10.772 2.898 9.276 1.00 0.00 O ATOM 310 N1 DG B 4 12.399 3.831 10.515 1.00 0.00 N ATOM 311 C2 DG B 4 13.809 4.011 10.803 1.00 0.00 C ATOM 312 N2 DG B 4 14.205 4.682 11.916 1.00 0.00 N ATOM 313 N3 DG B 4 14.725 3.510 10.062 1.00 0.00 N ATOM 314 C4 DG B 4 14.442 2.707 8.907 1.00 0.00 C ATOM 0 H5' DG B 4 19.621 2.693 5.019 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.214 1.110 5.483 1.00 0.00 H new ATOM 0 H4' DG B 4 19.305 2.631 7.242 1.00 0.00 H new ATOM 0 H3' DG B 4 19.039 -0.267 7.113 1.00 0.00 H new ATOM 0 H2' DG B 4 16.639 -0.171 7.501 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.138 0.175 9.145 1.00 0.00 H new ATOM 0 H1' DG B 4 17.019 2.618 8.771 1.00 0.00 H new ATOM 0 H8 DG B 4 14.554 0.825 6.381 1.00 0.00 H new ATOM 0 H1 DG B 4 11.710 4.285 11.115 1.00 0.00 H new ATOM 0 H21 DG B 4 15.199 4.804 12.111 1.00 0.00 H new ATOM 0 H22 DG B 4 13.509 5.064 12.556 1.00 0.00 H new ATOM 326 P DG B 5 19.941 -0.516 9.756 1.00 0.00 P ATOM 327 OP1 DG B 5 21.356 -0.989 9.404 1.00 0.00 O ATOM 328 OP2 DG B 5 18.975 -1.710 9.555 1.00 0.00 O ATOM 329 O5' DG B 5 19.908 -0.080 11.315 1.00 0.00 O ATOM 330 C5' DG B 5 20.210 1.246 11.843 1.00 0.00 C ATOM 331 C4' DG B 5 19.370 1.537 13.116 1.00 0.00 C ATOM 332 O4' DG B 5 18.010 1.824 12.697 1.00 0.00 O ATOM 333 C3' DG B 5 19.303 0.348 14.124 1.00 0.00 C ATOM 334 O3' DG B 5 19.402 0.762 15.517 1.00 0.00 O ATOM 335 C2' DG B 5 17.909 -0.203 13.814 1.00 0.00 C ATOM 336 C1' DG B 5 17.138 1.086 13.546 1.00 0.00 C ATOM 337 N9 DG B 5 15.797 0.869 12.935 1.00 0.00 N ATOM 338 C8 DG B 5 15.372 0.139 11.832 1.00 0.00 C ATOM 339 N7 DG B 5 14.031 0.002 11.528 1.00 0.00 N ATOM 340 C5 DG B 5 13.552 0.825 12.542 1.00 0.00 C ATOM 341 C6 DG B 5 12.076 1.185 12.868 1.00 0.00 C ATOM 342 O6 DG B 5 11.124 0.699 12.266 1.00 0.00 O ATOM 343 N1 DG B 5 11.887 2.049 13.902 1.00 0.00 N ATOM 344 C2 DG B 5 12.993 2.574 14.682 1.00 0.00 C ATOM 345 N2 DG B 5 12.764 3.431 15.721 1.00 0.00 N ATOM 346 N3 DG B 5 14.207 2.244 14.445 1.00 0.00 N ATOM 347 C4 DG B 5 14.585 1.368 13.370 1.00 0.00 C ATOM 0 H5' DG B 5 20.002 2.000 11.084 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.272 1.315 12.079 1.00 0.00 H new ATOM 0 H4' DG B 5 19.855 2.368 13.627 1.00 0.00 H new ATOM 0 H3' DG B 5 20.126 -0.358 14.013 1.00 0.00 H new ATOM 0 H2' DG B 5 17.912 -0.869 12.951 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.493 -0.766 14.650 1.00 0.00 H new ATOM 0 H1' DG B 5 16.896 1.611 14.470 1.00 0.00 H new ATOM 0 H8 DG B 5 16.107 -0.333 11.197 1.00 0.00 H new ATOM 0 H1 DG B 5 10.937 2.337 14.137 1.00 0.00 H new ATOM 0 H21 DG B 5 13.547 3.795 16.264 1.00 0.00 H new ATOM 0 H22 DG B 5 11.810 3.707 15.954 1.00 0.00 H new ATOM 359 P DT B 6 19.355 -0.277 16.776 1.00 0.00 P ATOM 360 OP1 DT B 6 20.335 0.177 17.868 1.00 0.00 O ATOM 361 OP2 DT B 6 19.783 -1.684 16.343 1.00 0.00 O ATOM 362 O5' DT B 6 17.860 -0.352 17.413 1.00 0.00 O ATOM 363 C5' DT B 6 17.180 0.819 17.932 1.00 0.00 C ATOM 364 C4' DT B 6 15.658 0.619 18.090 1.00 0.00 C ATOM 365 O4' DT B 6 15.060 0.220 16.847 1.00 0.00 O ATOM 366 C3' DT B 6 15.194 -0.449 19.100 1.00 0.00 C ATOM 367 O3' DT B 6 14.897 0.108 20.377 1.00 0.00 O ATOM 368 C2' DT B 6 13.914 -1.017 18.475 1.00 0.00 C ATOM 369 C1' DT B 6 13.744 -0.253 17.154 1.00 0.00 C ATOM 370 N1 DT B 6 13.155 -1.082 16.066 1.00 0.00 N ATOM 371 C2 DT B 6 11.792 -1.042 15.844 1.00 0.00 C ATOM 372 O2 DT B 6 11.030 -0.429 16.590 1.00 0.00 O ATOM 373 N3 DT B 6 11.233 -1.694 14.803 1.00 0.00 N ATOM 374 C4 DT B 6 11.926 -2.442 13.912 1.00 0.00 C ATOM 375 O4 DT B 6 11.324 -3.000 12.999 1.00 0.00 O ATOM 376 C5 DT B 6 13.472 -2.568 14.126 1.00 0.00 C ATOM 377 C7 DT B 6 14.322 -3.440 13.217 1.00 0.00 C ATOM 378 C6 DT B 6 14.022 -1.891 15.165 1.00 0.00 C ATOM 0 H5' DT B 6 17.362 1.662 17.265 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.608 1.080 18.900 1.00 0.00 H new ATOM 0 H4' DT B 6 15.345 1.598 18.454 1.00 0.00 H new ATOM 0 H3' DT B 6 15.970 -1.195 19.274 1.00 0.00 H new ATOM 0 H2' DT B 6 14.002 -2.090 18.302 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.055 -0.869 19.130 1.00 0.00 H new ATOM 0 HO3' DT B 6 14.606 -0.604 20.985 1.00 0.00 H new ATOM 0 H1' DT B 6 13.028 0.564 17.250 1.00 0.00 H new ATOM 0 H3 DT B 6 10.223 -1.618 14.679 1.00 0.00 H new ATOM 0 H71 DT B 6 15.327 -3.024 13.150 1.00 0.00 H new ATOM 0 H72 DT B 6 14.374 -4.449 13.625 1.00 0.00 H new ATOM 0 H73 DT B 6 13.876 -3.473 12.223 1.00 0.00 H new ATOM 0 H6 DT B 6 15.087 -1.939 15.338 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 19.952 6.844 -1.121 1.00 0.00 O ATOM 394 C5' DT E 1 19.192 6.755 0.084 1.00 0.00 C ATOM 395 C4' DT E 1 19.287 8.077 0.867 1.00 0.00 C ATOM 396 O4' DT E 1 18.613 9.148 0.157 1.00 0.00 O ATOM 397 C3' DT E 1 18.661 8.015 2.261 1.00 0.00 C ATOM 398 O3' DT E 1 19.630 7.695 3.266 1.00 0.00 O ATOM 399 C2' DT E 1 18.222 9.450 2.465 1.00 0.00 C ATOM 400 C1' DT E 1 17.827 9.948 1.078 1.00 0.00 C ATOM 401 N1 DT E 1 16.358 9.912 0.803 1.00 0.00 N ATOM 402 C2 DT E 1 15.505 10.746 1.515 1.00 0.00 C ATOM 403 O2 DT E 1 15.915 11.564 2.334 1.00 0.00 O ATOM 404 N3 DT E 1 14.169 10.722 1.292 1.00 0.00 N ATOM 405 C4 DT E 1 13.566 9.968 0.351 1.00 0.00 C ATOM 406 O4 DT E 1 12.358 10.112 0.176 1.00 0.00 O ATOM 407 C5 DT E 1 14.465 9.027 -0.511 1.00 0.00 C ATOM 408 C7 DT E 1 13.880 8.151 -1.598 1.00 0.00 C ATOM 409 C6 DT E 1 15.795 8.998 -0.227 1.00 0.00 C ATOM 0 H5' DT E 1 19.562 5.933 0.697 1.00 0.00 H new ATOM 0 H5'' DT E 1 18.150 6.535 -0.149 1.00 0.00 H new ATOM 0 H4' DT E 1 20.357 8.261 0.966 1.00 0.00 H new ATOM 0 H3' DT E 1 17.877 7.262 2.335 1.00 0.00 H new ATOM 0 H2' DT E 1 17.383 9.511 3.159 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.027 10.052 2.885 1.00 0.00 H new ATOM 0 HO5' DT E 1 19.887 5.998 -1.612 1.00 0.00 H new ATOM 0 H1' DT E 1 18.042 11.011 0.971 1.00 0.00 H new ATOM 0 H3 DT E 1 13.579 11.315 1.876 1.00 0.00 H new ATOM 0 H71 DT E 1 14.620 8.005 -2.385 1.00 0.00 H new ATOM 0 H72 DT E 1 13.603 7.185 -1.177 1.00 0.00 H new ATOM 0 H73 DT E 1 12.996 8.632 -2.016 1.00 0.00 H new ATOM 0 H6 DT E 1 16.443 8.310 -0.750 1.00 0.00 H new ATOM 423 P DG E 2 19.198 7.032 4.685 1.00 0.00 P ATOM 424 OP1 DG E 2 19.871 5.668 4.745 1.00 0.00 O ATOM 425 OP2 DG E 2 17.675 6.949 4.734 1.00 0.00 O ATOM 426 O5' DG E 2 19.732 7.991 5.883 1.00 0.00 O ATOM 427 C5' DG E 2 19.653 9.433 5.877 1.00 0.00 C ATOM 428 C4' DG E 2 18.805 10.071 7.006 1.00 0.00 C ATOM 429 O4' DG E 2 17.710 10.872 6.490 1.00 0.00 O ATOM 430 C3' DG E 2 18.224 9.139 8.072 1.00 0.00 C ATOM 431 O3' DG E 2 19.176 9.019 9.139 1.00 0.00 O ATOM 432 C2' DG E 2 16.993 9.893 8.550 1.00 0.00 C ATOM 433 C1' DG E 2 16.563 10.761 7.365 1.00 0.00 C ATOM 434 N9 DG E 2 15.386 10.202 6.639 1.00 0.00 N ATOM 435 C8 DG E 2 15.338 9.272 5.605 1.00 0.00 C ATOM 436 N7 DG E 2 14.143 8.850 5.075 1.00 0.00 N ATOM 437 C5 DG E 2 13.313 9.545 5.926 1.00 0.00 C ATOM 438 C6 DG E 2 11.765 9.590 5.899 1.00 0.00 C ATOM 439 O6 DG E 2 11.087 8.963 5.096 1.00 0.00 O ATOM 440 N1 DG E 2 11.184 10.424 6.794 1.00 0.00 N ATOM 441 C2 DG E 2 11.952 11.244 7.705 1.00 0.00 C ATOM 442 N2 DG E 2 11.297 12.090 8.548 1.00 0.00 N ATOM 443 N3 DG E 2 13.242 11.241 7.715 1.00 0.00 N ATOM 444 C4 DG E 2 14.019 10.376 6.856 1.00 0.00 C ATOM 0 H5' DG E 2 19.243 9.751 4.918 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.665 9.833 5.940 1.00 0.00 H new ATOM 0 H4' DG E 2 19.562 10.676 7.506 1.00 0.00 H new ATOM 0 H3' DG E 2 17.994 8.135 7.716 1.00 0.00 H new ATOM 0 H2' DG E 2 16.199 9.205 8.842 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.221 10.505 9.423 1.00 0.00 H new ATOM 0 H1' DG E 2 16.241 11.739 7.724 1.00 0.00 H new ATOM 0 H8 DG E 2 16.261 8.873 5.210 1.00 0.00 H new ATOM 0 H1 DG E 2 10.166 10.476 6.827 1.00 0.00 H new ATOM 0 H21 DG E 2 11.825 12.674 9.196 1.00 0.00 H new ATOM 0 H22 DG E 2 10.278 12.139 8.531 1.00 0.00 H new ATOM 456 P DG E 3 19.215 7.738 10.127 1.00 0.00 P ATOM 457 OP1 DG E 3 20.675 7.561 10.556 1.00 0.00 O ATOM 458 OP2 DG E 3 18.658 6.503 9.447 1.00 0.00 O ATOM 459 O5' DG E 3 18.333 8.086 11.417 1.00 0.00 O ATOM 460 C5' DG E 3 18.388 9.335 12.122 1.00 0.00 C ATOM 461 C4' DG E 3 17.057 9.585 12.856 1.00 0.00 C ATOM 462 O4' DG E 3 15.994 9.766 11.882 1.00 0.00 O ATOM 463 C3' DG E 3 16.653 8.422 13.781 1.00 0.00 C ATOM 464 O3' DG E 3 16.069 8.913 15.000 1.00 0.00 O ATOM 465 C2' DG E 3 15.580 7.739 12.955 1.00 0.00 C ATOM 466 C1' DG E 3 14.894 8.919 12.262 1.00 0.00 C ATOM 467 N9 DG E 3 14.068 8.504 11.088 1.00 0.00 N ATOM 468 C8 DG E 3 14.359 7.597 10.073 1.00 0.00 C ATOM 469 N7 DG E 3 13.394 7.140 9.215 1.00 0.00 N ATOM 470 C5 DG E 3 12.336 7.828 9.762 1.00 0.00 C ATOM 471 C6 DG E 3 10.854 7.737 9.337 1.00 0.00 C ATOM 472 O6 DG E 3 10.469 7.025 8.420 1.00 0.00 O ATOM 473 N1 DG E 3 9.992 8.519 10.029 1.00 0.00 N ATOM 474 C2 DG E 3 10.424 9.396 11.097 1.00 0.00 C ATOM 475 N2 DG E 3 9.500 10.197 11.710 1.00 0.00 N ATOM 476 N3 DG E 3 11.652 9.460 11.477 1.00 0.00 N ATOM 477 C4 DG E 3 12.702 8.677 10.856 1.00 0.00 C ATOM 0 H5' DG E 3 18.586 10.148 11.423 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.210 9.322 12.837 1.00 0.00 H new ATOM 0 H4' DG E 3 17.203 10.475 13.469 1.00 0.00 H new ATOM 0 H3' DG E 3 17.489 7.787 14.073 1.00 0.00 H new ATOM 0 H2' DG E 3 16.005 7.038 12.237 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.886 7.175 13.578 1.00 0.00 H new ATOM 0 H1' DG E 3 14.176 9.420 12.912 1.00 0.00 H new ATOM 0 H8 DG E 3 15.373 7.244 9.959 1.00 0.00 H new ATOM 0 H1 DG E 3 9.001 8.489 9.789 1.00 0.00 H new ATOM 0 H21 DG E 3 9.786 10.821 12.464 1.00 0.00 H new ATOM 0 H22 DG E 3 8.525 10.170 11.413 1.00 0.00 H new ATOM 489 P DG E 4 16.270 8.130 16.395 1.00 0.00 P ATOM 490 OP1 DG E 4 17.536 8.680 17.068 1.00 0.00 O ATOM 491 OP2 DG E 4 16.417 6.632 16.156 1.00 0.00 O ATOM 492 O5' DG E 4 15.008 8.379 17.355 1.00 0.00 O ATOM 493 C5' DG E 4 14.356 9.647 17.575 1.00 0.00 C ATOM 494 C4' DG E 4 12.840 9.449 17.823 1.00 0.00 C ATOM 495 O4' DG E 4 12.175 9.293 16.543 1.00 0.00 O ATOM 496 C3' DG E 4 12.493 8.211 18.685 1.00 0.00 C ATOM 497 O3' DG E 4 11.431 8.462 19.630 1.00 0.00 O ATOM 498 C2' DG E 4 12.007 7.235 17.624 1.00 0.00 C ATOM 499 C1' DG E 4 11.322 8.146 16.603 1.00 0.00 C ATOM 500 N9 DG E 4 11.186 7.508 15.262 1.00 0.00 N ATOM 501 C8 DG E 4 12.149 6.899 14.471 1.00 0.00 C ATOM 502 N7 DG E 4 11.817 6.172 13.354 1.00 0.00 N ATOM 503 C5 DG E 4 10.455 6.382 13.416 1.00 0.00 C ATOM 504 C6 DG E 4 9.375 5.821 12.461 1.00 0.00 C ATOM 505 O6 DG E 4 9.633 5.087 11.517 1.00 0.00 O ATOM 506 N1 DG E 4 8.098 6.183 12.735 1.00 0.00 N ATOM 507 C2 DG E 4 7.758 7.021 13.865 1.00 0.00 C ATOM 508 N2 DG E 4 6.454 7.308 14.111 1.00 0.00 N ATOM 509 N3 DG E 4 8.644 7.484 14.673 1.00 0.00 N ATOM 510 C4 DG E 4 10.051 7.197 14.524 1.00 0.00 C ATOM 0 H5' DG E 4 14.506 10.293 16.710 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.807 10.149 18.431 1.00 0.00 H new ATOM 0 H4' DG E 4 12.505 10.330 18.371 1.00 0.00 H new ATOM 0 H3' DG E 4 13.334 7.875 19.292 1.00 0.00 H new ATOM 0 H2' DG E 4 12.832 6.679 17.179 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.315 6.501 18.038 1.00 0.00 H new ATOM 0 H1' DG E 4 10.300 8.384 16.897 1.00 0.00 H new ATOM 0 H8 DG E 4 13.190 6.999 14.741 1.00 0.00 H new ATOM 0 H1 DG E 4 7.351 5.854 12.124 1.00 0.00 H new ATOM 0 H21 DG E 4 6.202 7.897 14.904 1.00 0.00 H new ATOM 0 H22 DG E 4 5.726 6.934 13.502 1.00 0.00 H new ATOM 522 P DG E 5 11.182 7.501 20.916 1.00 0.00 P ATOM 523 OP1 DG E 5 11.603 8.249 22.190 1.00 0.00 O ATOM 524 OP2 DG E 5 12.001 6.214 20.818 1.00 0.00 O ATOM 525 O5' DG E 5 9.624 7.098 21.028 1.00 0.00 O ATOM 526 C5' DG E 5 8.503 7.976 20.786 1.00 0.00 C ATOM 527 C4' DG E 5 7.303 7.178 20.216 1.00 0.00 C ATOM 528 O4' DG E 5 7.548 6.894 18.810 1.00 0.00 O ATOM 529 C3' DG E 5 7.029 5.821 20.928 1.00 0.00 C ATOM 530 O3' DG E 5 5.615 5.583 21.165 1.00 0.00 O ATOM 531 C2' DG E 5 7.562 4.837 19.890 1.00 0.00 C ATOM 532 C1' DG E 5 7.179 5.530 18.587 1.00 0.00 C ATOM 533 N9 DG E 5 7.825 4.932 17.383 1.00 0.00 N ATOM 534 C8 DG E 5 9.150 4.621 17.101 1.00 0.00 C ATOM 535 N7 DG E 5 9.501 3.875 15.998 1.00 0.00 N ATOM 536 C5 DG E 5 8.224 3.721 15.487 1.00 0.00 C ATOM 537 C6 DG E 5 7.793 2.927 14.224 1.00 0.00 C ATOM 538 O6 DG E 5 8.579 2.298 13.528 1.00 0.00 O ATOM 539 N1 DG E 5 6.465 2.941 13.941 1.00 0.00 N ATOM 540 C2 DG E 5 5.505 3.640 14.768 1.00 0.00 C ATOM 541 N2 DG E 5 4.185 3.644 14.429 1.00 0.00 N ATOM 542 N3 DG E 5 5.846 4.264 15.838 1.00 0.00 N ATOM 543 C4 DG E 5 7.215 4.359 16.277 1.00 0.00 C ATOM 0 H5' DG E 5 8.792 8.760 20.086 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.212 8.469 21.714 1.00 0.00 H new ATOM 0 H4' DG E 5 6.428 7.808 20.377 1.00 0.00 H new ATOM 0 H3' DG E 5 7.483 5.757 21.917 1.00 0.00 H new ATOM 0 H2' DG E 5 8.639 4.693 19.977 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.101 3.854 19.982 1.00 0.00 H new ATOM 0 H1' DG E 5 6.119 5.420 18.358 1.00 0.00 H new ATOM 0 H8 DG E 5 9.925 4.974 17.765 1.00 0.00 H new ATOM 0 H1 DG E 5 6.132 2.441 13.116 1.00 0.00 H new ATOM 0 H21 DG E 5 3.510 4.137 15.013 1.00 0.00 H new ATOM 0 H22 DG E 5 3.872 3.154 13.591 1.00 0.00 H new ATOM 555 P DT E 6 5.058 4.428 22.171 1.00 0.00 P ATOM 556 OP1 DT E 6 4.080 5.057 23.175 1.00 0.00 O ATOM 557 OP2 DT E 6 6.189 3.776 22.968 1.00 0.00 O ATOM 558 O5' DT E 6 4.263 3.273 21.349 1.00 0.00 O ATOM 559 C5' DT E 6 2.976 3.508 20.738 1.00 0.00 C ATOM 560 C4' DT E 6 2.642 2.482 19.635 1.00 0.00 C ATOM 561 O4' DT E 6 3.634 2.509 18.601 1.00 0.00 O ATOM 562 C3' DT E 6 2.577 1.012 20.057 1.00 0.00 C ATOM 563 O3' DT E 6 1.305 0.667 20.598 1.00 0.00 O ATOM 564 C2' DT E 6 2.840 0.271 18.745 1.00 0.00 C ATOM 565 C1' DT E 6 3.501 1.310 17.816 1.00 0.00 C ATOM 566 N1 DT E 6 4.804 0.853 17.256 1.00 0.00 N ATOM 567 C2 DT E 6 4.827 0.183 16.044 1.00 0.00 C ATOM 568 O2 DT E 6 3.799 -0.077 15.425 1.00 0.00 O ATOM 569 N3 DT E 6 5.992 -0.241 15.506 1.00 0.00 N ATOM 570 C4 DT E 6 7.205 -0.077 16.083 1.00 0.00 C ATOM 571 O4 DT E 6 8.195 -0.569 15.547 1.00 0.00 O ATOM 572 C5 DT E 6 7.258 0.698 17.441 1.00 0.00 C ATOM 573 C7 DT E 6 8.581 0.947 18.141 1.00 0.00 C ATOM 574 C6 DT E 6 6.082 1.123 17.971 1.00 0.00 C ATOM 0 H5' DT E 6 2.959 4.511 20.312 1.00 0.00 H new ATOM 0 H5'' DT E 6 2.203 3.474 21.506 1.00 0.00 H new ATOM 0 H4' DT E 6 1.646 2.800 19.326 1.00 0.00 H new ATOM 0 H3' DT E 6 3.288 0.767 20.846 1.00 0.00 H new ATOM 0 H2' DT E 6 3.493 -0.588 18.902 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.913 -0.108 18.315 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.304 -0.279 20.853 1.00 0.00 H new ATOM 0 H1' DT E 6 2.885 1.478 16.933 1.00 0.00 H new ATOM 0 H3 DT E 6 5.954 -0.717 14.604 1.00 0.00 H new ATOM 0 H71 DT E 6 8.523 1.876 18.709 1.00 0.00 H new ATOM 0 H72 DT E 6 8.795 0.121 18.819 1.00 0.00 H new ATOM 0 H73 DT E 6 9.376 1.024 17.399 1.00 0.00 H new ATOM 0 H6 DT E 6 6.074 1.656 18.910 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.407 15.210 4.918 1.00 0.00 O ATOM 590 C5' DT F 1 -0.072 13.831 5.060 1.00 0.00 C ATOM 591 C4' DT F 1 -0.211 13.118 3.703 1.00 0.00 C ATOM 592 O4' DT F 1 0.701 13.678 2.719 1.00 0.00 O ATOM 593 C3' DT F 1 0.090 11.619 3.764 1.00 0.00 C ATOM 594 O3' DT F 1 -1.095 10.845 3.977 1.00 0.00 O ATOM 595 C2' DT F 1 0.608 11.351 2.367 1.00 0.00 C ATOM 596 C1' DT F 1 1.406 12.611 2.023 1.00 0.00 C ATOM 597 N1 DT F 1 2.867 12.561 2.359 1.00 0.00 N ATOM 598 C2 DT F 1 3.693 11.628 1.740 1.00 0.00 C ATOM 599 O2 DT F 1 3.283 10.850 0.885 1.00 0.00 O ATOM 600 N3 DT F 1 5.019 11.582 2.026 1.00 0.00 N ATOM 601 C4 DT F 1 5.654 12.446 2.840 1.00 0.00 C ATOM 602 O4 DT F 1 6.874 12.359 2.958 1.00 0.00 O ATOM 603 C5 DT F 1 4.805 13.560 3.521 1.00 0.00 C ATOM 604 C7 DT F 1 5.448 14.610 4.401 1.00 0.00 C ATOM 605 C6 DT F 1 3.463 13.544 3.304 1.00 0.00 C ATOM 0 H5' DT F 1 -0.726 13.363 5.796 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.948 13.731 5.431 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.254 13.268 3.424 1.00 0.00 H new ATOM 0 H3' DT F 1 0.770 11.358 4.575 1.00 0.00 H new ATOM 0 H2' DT F 1 1.235 10.460 2.337 1.00 0.00 H new ATOM 0 H2'' DT F 1 -0.208 11.190 1.662 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.318 15.659 5.785 1.00 0.00 H new ATOM 0 H1' DT F 1 1.443 12.755 0.943 1.00 0.00 H new ATOM 0 H3 DT F 1 5.572 10.842 1.594 1.00 0.00 H new ATOM 0 H71 DT F 1 4.873 15.534 4.344 1.00 0.00 H new ATOM 0 H72 DT F 1 5.467 14.258 5.432 1.00 0.00 H new ATOM 0 H73 DT F 1 6.467 14.795 4.062 1.00 0.00 H new ATOM 0 H6 DT F 1 2.827 14.248 3.820 1.00 0.00 H new ATOM 619 P DG F 2 -1.074 9.468 4.835 1.00 0.00 P ATOM 620 OP1 DG F 2 -2.102 9.625 5.951 1.00 0.00 O ATOM 621 OP2 DG F 2 0.330 9.236 5.378 1.00 0.00 O ATOM 622 O5' DG F 2 -1.500 8.228 3.885 1.00 0.00 O ATOM 623 C5' DG F 2 -1.478 8.216 2.444 1.00 0.00 C ATOM 624 C4' DG F 2 -0.563 7.132 1.824 1.00 0.00 C ATOM 625 O4' DG F 2 0.707 7.668 1.398 1.00 0.00 O ATOM 626 C3' DG F 2 -0.290 5.875 2.663 1.00 0.00 C ATOM 627 O3' DG F 2 -1.318 4.904 2.361 1.00 0.00 O ATOM 628 C2' DG F 2 1.095 5.439 2.186 1.00 0.00 C ATOM 629 C1' DG F 2 1.734 6.662 1.524 1.00 0.00 C ATOM 630 N9 DG F 2 2.897 7.192 2.288 1.00 0.00 N ATOM 631 C8 DG F 2 2.940 8.172 3.274 1.00 0.00 C ATOM 632 N7 DG F 2 4.126 8.576 3.831 1.00 0.00 N ATOM 633 C5 DG F 2 4.948 7.694 3.164 1.00 0.00 C ATOM 634 C6 DG F 2 6.493 7.607 3.241 1.00 0.00 C ATOM 635 O6 DG F 2 7.175 8.343 3.939 1.00 0.00 O ATOM 636 N1 DG F 2 7.074 6.688 2.435 1.00 0.00 N ATOM 637 C2 DG F 2 6.312 5.852 1.539 1.00 0.00 C ATOM 638 N2 DG F 2 6.968 4.952 0.757 1.00 0.00 N ATOM 639 N3 DG F 2 5.032 5.954 1.421 1.00 0.00 N ATOM 640 C4 DG F 2 4.250 6.855 2.238 1.00 0.00 C ATOM 0 H5' DG F 2 -1.152 9.194 2.090 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.494 8.067 2.079 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.168 6.804 0.979 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.308 6.015 3.744 1.00 0.00 H new ATOM 0 H2' DG F 2 1.701 5.090 3.022 1.00 0.00 H new ATOM 0 H2'' DG F 2 1.019 4.612 1.480 1.00 0.00 H new ATOM 0 H1' DG F 2 2.129 6.374 0.550 1.00 0.00 H new ATOM 0 H8 DG F 2 2.018 8.625 3.608 1.00 0.00 H new ATOM 0 H1 DG F 2 8.088 6.582 2.462 1.00 0.00 H new ATOM 0 H21 DG F 2 6.444 4.354 0.118 1.00 0.00 H new ATOM 0 H22 DG F 2 7.984 4.876 0.809 1.00 0.00 H new ATOM 652 P DG F 3 -1.261 3.358 2.821 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.695 2.826 2.876 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.541 3.217 4.149 1.00 0.00 O ATOM 655 O5' DG F 3 -0.497 2.558 1.631 1.00 0.00 O ATOM 656 C5' DG F 3 -0.239 1.134 1.654 1.00 0.00 C ATOM 657 C4' DG F 3 1.085 0.725 2.344 1.00 0.00 C ATOM 658 O4' DG F 3 2.101 1.753 2.340 1.00 0.00 O ATOM 659 C3' DG F 3 0.922 0.295 3.810 1.00 0.00 C ATOM 660 O3' DG F 3 0.609 -1.115 3.933 1.00 0.00 O ATOM 661 C2' DG F 3 2.216 0.762 4.478 1.00 0.00 C ATOM 662 C1' DG F 3 3.066 1.350 3.333 1.00 0.00 C ATOM 663 N9 DG F 3 3.923 2.498 3.770 1.00 0.00 N ATOM 664 C8 DG F 3 3.606 3.558 4.614 1.00 0.00 C ATOM 665 N7 DG F 3 4.574 4.331 5.201 1.00 0.00 N ATOM 666 C5 DG F 3 5.662 3.696 4.644 1.00 0.00 C ATOM 667 C6 DG F 3 7.153 4.029 4.878 1.00 0.00 C ATOM 668 O6 DG F 3 7.530 4.905 5.646 1.00 0.00 O ATOM 669 N1 DG F 3 8.042 3.310 4.152 1.00 0.00 N ATOM 670 C2 DG F 3 7.627 2.297 3.203 1.00 0.00 C ATOM 671 N2 DG F 3 8.578 1.657 2.456 1.00 0.00 N ATOM 672 N3 DG F 3 6.391 1.990 3.024 1.00 0.00 N ATOM 673 C4 DG F 3 5.312 2.642 3.739 1.00 0.00 C ATOM 0 H5' DG F 3 -0.227 0.765 0.629 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.066 0.637 2.162 1.00 0.00 H new ATOM 0 H4' DG F 3 1.399 -0.119 1.730 1.00 0.00 H new ATOM 0 H3' DG F 3 0.066 0.745 4.313 1.00 0.00 H new ATOM 0 H2' DG F 3 2.016 1.510 5.246 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.730 -0.066 4.966 1.00 0.00 H new ATOM 0 H1' DG F 3 3.779 0.619 2.953 1.00 0.00 H new ATOM 0 H8 DG F 3 2.567 3.778 4.812 1.00 0.00 H new ATOM 0 H1 DG F 3 9.038 3.488 4.278 1.00 0.00 H new ATOM 0 H21 DG F 3 8.302 0.941 1.784 1.00 0.00 H new ATOM 0 H22 DG F 3 9.563 1.896 2.572 1.00 0.00 H new ATOM 685 P DG F 4 1.635 -2.362 3.845 1.00 0.00 P ATOM 686 OP1 DG F 4 0.808 -3.628 3.584 1.00 0.00 O ATOM 687 OP2 DG F 4 2.418 -2.480 5.148 1.00 0.00 O ATOM 688 O5' DG F 4 2.642 -2.141 2.590 1.00 0.00 O ATOM 689 C5' DG F 4 3.413 -3.191 1.964 1.00 0.00 C ATOM 690 C4' DG F 4 4.834 -3.365 2.541 1.00 0.00 C ATOM 691 O4' DG F 4 5.466 -2.111 2.874 1.00 0.00 O ATOM 692 C3' DG F 4 4.900 -4.256 3.786 1.00 0.00 C ATOM 693 O3' DG F 4 5.092 -5.634 3.401 1.00 0.00 O ATOM 694 C2' DG F 4 6.084 -3.676 4.553 1.00 0.00 C ATOM 695 C1' DG F 4 6.503 -2.388 3.828 1.00 0.00 C ATOM 696 N9 DG F 4 6.668 -1.255 4.782 1.00 0.00 N ATOM 697 C8 DG F 4 5.701 -0.595 5.528 1.00 0.00 C ATOM 698 N7 DG F 4 6.035 0.338 6.481 1.00 0.00 N ATOM 699 C5 DG F 4 7.402 0.255 6.326 1.00 0.00 C ATOM 700 C6 DG F 4 8.483 1.039 7.109 1.00 0.00 C ATOM 701 O6 DG F 4 8.217 1.853 7.983 1.00 0.00 O ATOM 702 N1 DG F 4 9.767 0.772 6.768 1.00 0.00 N ATOM 703 C2 DG F 4 10.113 -0.179 5.732 1.00 0.00 C ATOM 704 N2 DG F 4 11.424 -0.381 5.412 1.00 0.00 N ATOM 705 N3 DG F 4 9.227 -0.845 5.084 1.00 0.00 N ATOM 706 C4 DG F 4 7.811 -0.682 5.322 1.00 0.00 C ATOM 0 H5' DG F 4 3.490 -2.983 0.897 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.874 -4.133 2.067 1.00 0.00 H new ATOM 0 H4' DG F 4 5.369 -3.852 1.726 1.00 0.00 H new ATOM 0 H3' DG F 4 3.993 -4.263 4.390 1.00 0.00 H new ATOM 0 H2' DG F 4 5.808 -3.464 5.586 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.909 -4.387 4.583 1.00 0.00 H new ATOM 0 H1' DG F 4 7.469 -2.513 3.339 1.00 0.00 H new ATOM 0 H8 DG F 4 4.659 -0.820 5.355 1.00 0.00 H new ATOM 0 H1 DG F 4 10.517 1.259 7.259 1.00 0.00 H new ATOM 0 H21 DG F 4 11.674 -1.049 4.683 1.00 0.00 H new ATOM 0 H22 DG F 4 12.154 0.137 5.902 1.00 0.00 H new ATOM 718 P DG F 5 5.065 -6.888 4.432 1.00 0.00 P ATOM 719 OP1 DG F 5 4.370 -8.082 3.759 1.00 0.00 O ATOM 720 OP2 DG F 5 4.339 -6.564 5.733 1.00 0.00 O ATOM 721 O5' DG F 5 6.573 -7.320 4.797 1.00 0.00 O ATOM 722 C5' DG F 5 7.721 -7.173 3.928 1.00 0.00 C ATOM 723 C4' DG F 5 9.003 -6.954 4.765 1.00 0.00 C ATOM 724 O4' DG F 5 9.015 -5.585 5.268 1.00 0.00 O ATOM 725 C3' DG F 5 9.122 -7.897 5.990 1.00 0.00 C ATOM 726 O3' DG F 5 10.487 -8.290 6.270 1.00 0.00 O ATOM 727 C2' DG F 5 8.679 -6.963 7.116 1.00 0.00 C ATOM 728 C1' DG F 5 9.291 -5.640 6.669 1.00 0.00 C ATOM 729 N9 DG F 5 8.806 -4.446 7.422 1.00 0.00 N ATOM 730 C8 DG F 5 7.520 -4.007 7.713 1.00 0.00 C ATOM 731 N7 DG F 5 7.297 -2.937 8.549 1.00 0.00 N ATOM 732 C5 DG F 5 8.619 -2.646 8.822 1.00 0.00 C ATOM 733 C6 DG F 5 9.167 -1.622 9.852 1.00 0.00 C ATOM 734 O6 DG F 5 8.452 -0.899 10.533 1.00 0.00 O ATOM 735 N1 DG F 5 10.514 -1.595 10.002 1.00 0.00 N ATOM 736 C2 DG F 5 11.391 -2.487 9.280 1.00 0.00 C ATOM 737 N2 DG F 5 12.738 -2.446 9.510 1.00 0.00 N ATOM 738 N3 DG F 5 10.951 -3.363 8.447 1.00 0.00 N ATOM 739 C4 DG F 5 9.541 -3.520 8.158 1.00 0.00 C ATOM 0 H5' DG F 5 7.570 -6.330 3.254 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.832 -8.062 3.307 1.00 0.00 H new ATOM 0 H4' DG F 5 9.839 -7.166 4.098 1.00 0.00 H new ATOM 0 H3' DG F 5 8.560 -8.821 5.854 1.00 0.00 H new ATOM 0 H2' DG F 5 7.594 -6.906 7.199 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.057 -7.283 8.087 1.00 0.00 H new ATOM 0 H1' DG F 5 10.360 -5.606 6.881 1.00 0.00 H new ATOM 0 H8 DG F 5 6.676 -4.517 7.273 1.00 0.00 H new ATOM 0 H1 DG F 5 10.923 -0.920 10.648 1.00 0.00 H new ATOM 0 H21 DG F 5 13.361 -3.074 9.003 1.00 0.00 H new ATOM 0 H22 DG F 5 13.120 -1.787 10.189 1.00 0.00 H new ATOM 751 P DT F 6 11.236 -9.591 5.677 1.00 0.00 P ATOM 752 OP1 DT F 6 11.815 -9.328 4.287 1.00 0.00 O ATOM 753 OP2 DT F 6 10.279 -10.788 5.581 1.00 0.00 O ATOM 754 O5' DT F 6 12.444 -10.018 6.681 1.00 0.00 O ATOM 755 C5' DT F 6 12.201 -10.657 7.954 1.00 0.00 C ATOM 756 C4' DT F 6 12.547 -9.730 9.132 1.00 0.00 C ATOM 757 O4' DT F 6 11.606 -8.649 9.228 1.00 0.00 O ATOM 758 C3' DT F 6 12.505 -10.406 10.522 1.00 0.00 C ATOM 759 O3' DT F 6 13.814 -10.675 11.011 1.00 0.00 O ATOM 760 C2' DT F 6 11.821 -9.378 11.431 1.00 0.00 C ATOM 761 C1' DT F 6 11.694 -8.127 10.555 1.00 0.00 C ATOM 762 N1 DT F 6 10.537 -7.243 10.871 1.00 0.00 N ATOM 763 C2 DT F 6 10.758 -5.916 11.206 1.00 0.00 C ATOM 764 O2 DT F 6 11.889 -5.452 11.327 1.00 0.00 O ATOM 765 N3 DT F 6 9.722 -5.075 11.428 1.00 0.00 N ATOM 766 C4 DT F 6 8.419 -5.421 11.328 1.00 0.00 C ATOM 767 O4 DT F 6 7.551 -4.588 11.580 1.00 0.00 O ATOM 768 C5 DT F 6 8.092 -6.893 10.924 1.00 0.00 C ATOM 769 C7 DT F 6 6.656 -7.339 10.721 1.00 0.00 C ATOM 770 C6 DT F 6 9.139 -7.731 10.705 1.00 0.00 C ATOM 0 H5' DT F 6 12.794 -11.569 8.022 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.154 -10.952 8.019 1.00 0.00 H new ATOM 0 H4' DT F 6 13.564 -9.408 8.908 1.00 0.00 H new ATOM 0 H3' DT F 6 11.983 -11.362 10.483 1.00 0.00 H new ATOM 0 H2' DT F 6 10.845 -9.730 11.767 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.413 -9.180 12.324 1.00 0.00 H new ATOM 0 HO3' DT F 6 13.753 -11.101 11.892 1.00 0.00 H new ATOM 0 H1' DT F 6 12.544 -7.465 10.718 1.00 0.00 H new ATOM 0 H3 DT F 6 9.939 -4.113 11.689 1.00 0.00 H new ATOM 0 H71 DT F 6 5.999 -6.755 11.366 1.00 0.00 H new ATOM 0 H72 DT F 6 6.372 -7.187 9.680 1.00 0.00 H new ATOM 0 H73 DT F 6 6.564 -8.396 10.972 1.00 0.00 H new ATOM 0 H6 DT F 6 8.957 -8.754 10.410 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.832 14.627 6.853 1.00 0.00 C HETATM 786 O1 DMY A 7 16.204 15.783 6.632 1.00 0.00 O HETATM 787 N1 DMY A 7 14.966 14.228 7.910 1.00 0.00 N HETATM 788 C2 DMY A 7 14.353 15.037 8.884 1.00 0.00 C HETATM 789 C3 DMY A 7 13.557 14.546 9.894 1.00 0.00 C HETATM 790 C4 DMY A 7 13.309 15.604 10.773 1.00 0.00 C HETATM 791 N2 DMY A 7 13.868 16.802 10.273 1.00 0.00 N HETATM 792 C5 DMY A 7 14.516 16.402 9.103 1.00 0.00 C HETATM 793 C6 DMY A 7 13.636 18.186 10.763 1.00 0.00 C HETATM 794 C7 DMY A 7 12.661 15.507 12.171 1.00 0.00 C HETATM 795 O2 DMY A 7 13.111 16.259 13.049 1.00 0.00 O HETATM 796 N3 DMY A 7 11.544 14.625 12.374 1.00 0.00 N HETATM 797 C8 DMY A 7 10.621 14.696 13.451 1.00 0.00 C HETATM 798 C9 DMY A 7 9.554 13.836 13.667 1.00 0.00 C HETATM 799 C10 DMY A 7 8.751 14.410 14.680 1.00 0.00 C HETATM 800 N4 DMY A 7 9.296 15.658 15.073 1.00 0.00 N HETATM 801 C11 DMY A 7 10.430 15.789 14.283 1.00 0.00 C HETATM 802 C12 DMY A 7 8.741 16.688 15.984 1.00 0.00 C HETATM 803 C13 DMY A 7 7.441 13.836 15.287 1.00 0.00 C HETATM 804 O3 DMY A 7 6.908 14.463 16.213 1.00 0.00 O HETATM 805 N5 DMY A 7 6.920 12.594 14.780 1.00 0.00 N HETATM 806 C14 DMY A 7 5.719 11.954 15.182 1.00 0.00 C HETATM 807 C15 DMY A 7 5.298 10.719 14.751 1.00 0.00 C HETATM 808 C16 DMY A 7 4.034 10.470 15.322 1.00 0.00 C HETATM 809 N6 DMY A 7 3.633 11.589 16.110 1.00 0.00 N HETATM 810 C17 DMY A 7 4.714 12.466 15.997 1.00 0.00 C HETATM 811 C18 DMY A 7 2.349 11.895 16.789 1.00 0.00 C HETATM 812 C19 DMY A 7 3.218 9.180 15.034 1.00 0.00 C HETATM 813 O4 DMY A 7 3.666 8.287 14.318 1.00 0.00 O HETATM 814 N7 DMY A 7 2.005 9.054 15.582 1.00 0.00 N HETATM 815 C20 DMY A 7 1.067 7.993 15.176 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.137 7.949 16.136 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.259 7.026 15.659 1.00 0.00 C HETATM 818 N8 DMY A 7 -2.362 7.537 15.151 1.00 0.00 N HETATM 819 N9 DMY A 7 -1.172 5.718 15.821 1.00 0.00 N HETATM 0 HN92 DMY A 7 -1.927 5.113 15.499 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -0.350 5.313 16.269 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.202 7.619 17.118 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.533 8.957 16.258 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.723 8.173 14.158 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.576 7.029 15.175 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.549 11.940 16.050 1.00 0.00 H new HETATM 0 H182 DMY A 7 2.127 11.115 17.517 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.427 12.855 17.299 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.786 17.042 15.595 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.592 16.256 16.974 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.437 17.524 16.054 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -2.997 6.783 14.888 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.720 9.714 16.305 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.469 12.127 14.059 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.402 13.885 11.686 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.765 13.230 7.969 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.369 12.893 13.152 1.00 0.00 H new HETATM 0 H63 DMY A 7 12.576 18.428 10.681 1.00 0.00 H new HETATM 0 H62 DMY A 7 13.945 18.259 11.806 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.216 18.887 10.163 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.075 17.070 8.448 1.00 0.00 H new HETATM 0 H3 DMY A 7 13.189 13.524 9.990 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.765 13.437 16.489 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.845 10.051 14.086 1.00 0.00 H new HETATM 0 H11 DMY A 7 11.095 16.652 14.313 1.00 0.00 H new HETATM 0 H1 DMY A 7 16.197 13.848 6.184 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.173 4.953 17.269 1.00 0.00 C HETATM 849 O1 DMY E 7 1.064 5.156 17.775 1.00 0.00 O HETATM 850 N1 DMY E 7 3.304 5.801 17.404 1.00 0.00 N HETATM 851 C2 DMY E 7 3.392 7.007 18.116 1.00 0.00 C HETATM 852 C3 DMY E 7 4.438 7.878 18.004 1.00 0.00 C HETATM 853 C4 DMY E 7 4.162 8.977 18.831 1.00 0.00 C HETATM 854 N2 DMY E 7 2.906 8.801 19.471 1.00 0.00 N HETATM 855 C5 DMY E 7 2.486 7.547 19.020 1.00 0.00 C HETATM 856 C6 DMY E 7 2.169 9.697 20.399 1.00 0.00 C HETATM 857 C7 DMY E 7 5.093 10.192 19.050 1.00 0.00 C HETATM 858 O2 DMY E 7 4.710 11.105 19.794 1.00 0.00 O HETATM 859 N3 DMY E 7 6.370 10.199 18.384 1.00 0.00 N HETATM 860 C8 DMY E 7 7.368 11.193 18.468 1.00 0.00 C HETATM 861 C9 DMY E 7 8.495 11.260 17.680 1.00 0.00 C HETATM 862 C10 DMY E 7 9.223 12.397 18.092 1.00 0.00 C HETATM 863 N4 DMY E 7 8.547 13.042 19.157 1.00 0.00 N HETATM 864 C11 DMY E 7 7.419 12.256 19.357 1.00 0.00 C HETATM 865 C12 DMY E 7 8.898 14.275 19.901 1.00 0.00 C HETATM 866 C13 DMY E 7 10.563 12.903 17.504 1.00 0.00 C HETATM 867 O3 DMY E 7 11.098 13.898 18.015 1.00 0.00 O HETATM 868 N5 DMY E 7 11.133 12.200 16.391 1.00 0.00 N HETATM 869 C14 DMY E 7 12.359 12.495 15.757 1.00 0.00 C HETATM 870 C15 DMY E 7 12.716 12.089 14.497 1.00 0.00 C HETATM 871 C16 DMY E 7 13.980 12.635 14.222 1.00 0.00 C HETATM 872 N6 DMY E 7 14.463 13.345 15.360 1.00 0.00 N HETATM 873 C17 DMY E 7 13.418 13.226 16.274 1.00 0.00 C HETATM 874 C18 DMY E 7 15.735 14.071 15.592 1.00 0.00 C HETATM 875 C19 DMY E 7 14.629 12.549 12.820 1.00 0.00 C HETATM 876 O4 DMY E 7 14.031 12.056 11.867 1.00 0.00 O HETATM 877 N7 DMY E 7 15.852 13.069 12.655 1.00 0.00 N HETATM 878 C20 DMY E 7 16.545 13.043 11.359 1.00 0.00 C HETATM 879 C21 DMY E 7 18.044 13.336 11.532 1.00 0.00 C HETATM 880 C22 DMY E 7 18.802 13.351 10.204 1.00 0.00 C HETATM 881 N8 DMY E 7 18.673 14.375 9.375 1.00 0.00 N HETATM 882 N9 DMY E 7 19.654 12.387 9.900 1.00 0.00 N HETATM 0 HN92 DMY E 7 20.153 12.409 9.011 1.00 0.00 H new HETATM 0 HN91 DMY E 7 19.812 11.621 10.555 1.00 0.00 H new HETATM 0 H212 DMY E 7 18.166 14.300 12.026 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.483 12.584 12.187 1.00 0.00 H new HETATM 0 H202 DMY E 7 16.413 12.067 10.891 1.00 0.00 H new HETATM 0 H201 DMY E 7 16.101 13.780 10.690 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.572 13.382 15.483 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.832 14.877 14.865 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.737 14.489 16.599 1.00 0.00 H new HETATM 0 H123 DMY E 7 9.867 14.146 20.382 1.00 0.00 H new HETATM 0 H122 DMY E 7 8.945 15.116 19.209 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.140 14.471 20.659 1.00 0.00 H new HETATM 0 HN8 DMY E 7 19.246 14.216 8.546 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.318 13.497 13.455 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.601 11.411 16.022 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.575 9.398 17.787 1.00 0.00 H new HETATM 0 HN1 DMY E 7 4.153 5.498 16.927 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.773 10.566 16.887 1.00 0.00 H new HETATM 0 H63 DMY E 7 2.774 9.879 21.287 1.00 0.00 H new HETATM 0 H62 DMY E 7 1.961 10.644 19.902 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.230 9.226 20.690 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.566 7.056 19.337 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.325 7.744 17.385 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.431 13.656 17.276 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.127 11.458 13.831 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.666 12.451 20.120 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.293 4.050 16.671 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.455 7.325 -2.019 1.00 0.00 C HETATM 912 O1 DMY B 7 3.260 7.717 -3.174 1.00 0.00 O HETATM 913 N1 DMY B 7 4.032 6.074 -1.663 1.00 0.00 N HETATM 914 C2 DMY B 7 4.541 5.079 -2.520 1.00 0.00 C HETATM 915 C3 DMY B 7 5.239 3.972 -2.093 1.00 0.00 C HETATM 916 C4 DMY B 7 5.494 3.179 -3.213 1.00 0.00 C HETATM 917 N2 DMY B 7 4.964 3.797 -4.375 1.00 0.00 N HETATM 918 C5 DMY B 7 4.402 4.980 -3.897 1.00 0.00 C HETATM 919 C6 DMY B 7 5.080 3.361 -5.792 1.00 0.00 C HETATM 920 C7 DMY B 7 6.198 1.799 -3.243 1.00 0.00 C HETATM 921 O2 DMY B 7 5.871 1.052 -4.174 1.00 0.00 O HETATM 922 N3 DMY B 7 7.200 1.451 -2.250 1.00 0.00 N HETATM 923 C8 DMY B 7 8.069 0.318 -2.325 1.00 0.00 C HETATM 924 C9 DMY B 7 9.027 -0.068 -1.389 1.00 0.00 C HETATM 925 C10 DMY B 7 9.756 -1.147 -1.959 1.00 0.00 C HETATM 926 N4 DMY B 7 9.247 -1.441 -3.247 1.00 0.00 N HETATM 927 C11 DMY B 7 8.230 -0.521 -3.424 1.00 0.00 C HETATM 928 C12 DMY B 7 9.701 -2.438 -4.251 1.00 0.00 C HETATM 929 C13 DMY B 7 10.985 -1.891 -1.368 1.00 0.00 C HETATM 930 O3 DMY B 7 11.609 -2.654 -2.115 1.00 0.00 O HETATM 931 N5 DMY B 7 11.328 -1.706 0.014 1.00 0.00 N HETATM 932 C14 DMY B 7 12.425 -2.303 0.690 1.00 0.00 C HETATM 933 C15 DMY B 7 12.694 -2.168 2.031 1.00 0.00 C HETATM 934 C16 DMY B 7 13.910 -2.847 2.293 1.00 0.00 C HETATM 935 N6 DMY B 7 14.411 -3.415 1.096 1.00 0.00 N HETATM 936 C17 DMY B 7 13.459 -3.065 0.142 1.00 0.00 C HETATM 937 C18 DMY B 7 15.686 -4.129 0.820 1.00 0.00 C HETATM 938 C19 DMY B 7 14.662 -2.911 3.647 1.00 0.00 C HETATM 939 O4 DMY B 7 15.795 -3.392 3.723 1.00 0.00 O HETATM 940 N7 DMY B 7 14.034 -2.466 4.743 1.00 0.00 N HETATM 941 C20 DMY B 7 14.753 -2.153 5.996 1.00 0.00 C HETATM 942 C21 DMY B 7 15.278 -3.381 6.773 1.00 0.00 C HETATM 943 C22 DMY B 7 16.501 -3.119 7.653 1.00 0.00 C HETATM 944 N8 DMY B 7 16.369 -2.750 8.911 1.00 0.00 N HETATM 945 N9 DMY B 7 17.717 -3.314 7.192 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.524 -3.135 7.790 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.853 -3.644 6.237 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.474 -3.765 7.401 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.526 -4.165 6.058 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.596 -1.503 5.761 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.087 -1.587 6.648 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.527 -3.471 1.039 1.00 0.00 H new HETATM 0 H182 DMY B 7 15.748 -5.018 1.448 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.719 -4.423 -0.229 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.733 -2.227 -4.533 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.639 -3.439 -3.824 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.065 -2.381 -5.134 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.249 -2.356 9.244 1.00 0.00 H new HETATM 0 HN7 DMY B 7 13.022 -2.338 4.712 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.728 -1.088 0.561 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.290 2.061 -1.438 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.083 5.873 -0.664 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.187 0.374 -0.406 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.132 3.326 -6.077 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.640 2.370 -5.905 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.553 4.067 -6.434 1.00 0.00 H new HETATM 0 H5 DMY B 7 3.917 5.729 -4.523 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.538 3.754 -1.068 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.514 -3.352 -0.908 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.083 -1.636 2.760 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.621 -0.459 -4.326 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.162 7.991 -1.207 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.684 -6.360 8.091 1.00 0.00 C HETATM 975 O1 DMY F 7 14.739 -7.000 8.057 1.00 0.00 O HETATM 976 N1 DMY F 7 12.942 -5.918 6.967 1.00 0.00 N HETATM 977 C2 DMY F 7 13.208 -6.112 5.604 1.00 0.00 C HETATM 978 C3 DMY F 7 12.395 -5.654 4.605 1.00 0.00 C HETATM 979 C4 DMY F 7 12.900 -6.137 3.391 1.00 0.00 C HETATM 980 N2 DMY F 7 14.112 -6.837 3.620 1.00 0.00 N HETATM 981 C5 DMY F 7 14.236 -6.831 5.013 1.00 0.00 C HETATM 982 C6 DMY F 7 15.041 -7.472 2.655 1.00 0.00 C HETATM 983 C7 DMY F 7 12.181 -6.054 2.023 1.00 0.00 C HETATM 984 O2 DMY F 7 12.700 -6.570 1.024 1.00 0.00 O HETATM 985 N3 DMY F 7 10.910 -5.378 1.982 1.00 0.00 N HETATM 986 C8 DMY F 7 10.061 -5.250 0.869 1.00 0.00 C HETATM 987 C9 DMY F 7 9.068 -4.311 0.731 1.00 0.00 C HETATM 988 C10 DMY F 7 8.429 -4.562 -0.500 1.00 0.00 C HETATM 989 N4 DMY F 7 9.000 -5.705 -1.117 1.00 0.00 N HETATM 990 C11 DMY F 7 10.009 -6.084 -0.236 1.00 0.00 C HETATM 991 C12 DMY F 7 8.589 -6.421 -2.350 1.00 0.00 C HETATM 992 C13 DMY F 7 7.280 -3.738 -1.125 1.00 0.00 C HETATM 993 O3 DMY F 7 6.861 -4.060 -2.246 1.00 0.00 O HETATM 994 N5 DMY F 7 6.745 -2.635 -0.376 1.00 0.00 N HETATM 995 C14 DMY F 7 5.679 -1.794 -0.758 1.00 0.00 C HETATM 996 C15 DMY F 7 5.344 -0.613 -0.144 1.00 0.00 C HETATM 997 C16 DMY F 7 4.256 -0.069 -0.843 1.00 0.00 C HETATM 998 N6 DMY F 7 3.883 -0.934 -1.916 1.00 0.00 N HETATM 999 C17 DMY F 7 4.784 -1.988 -1.800 1.00 0.00 C HETATM 1000 C18 DMY F 7 2.913 -0.752 -3.022 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.665 1.320 -0.511 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.209 2.081 0.285 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.566 1.695 -1.173 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.863 2.952 -0.885 1.00 0.00 C HETATM 1005 C21 DMY F 7 0.834 3.213 -1.996 1.00 0.00 C HETATM 1006 C22 DMY F 7 -0.023 4.449 -1.740 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.161 4.350 -1.075 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.314 5.612 -2.271 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.260 6.437 -2.099 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.148 5.684 -2.853 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.356 3.330 -2.946 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.185 2.342 -2.094 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.366 2.892 0.083 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.573 3.777 -0.828 1.00 0.00 H new HETATM 0 H183 DMY F 7 1.917 -0.590 -2.610 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.202 0.111 -3.621 1.00 0.00 H new HETATM 0 H181 DMY F 7 2.905 -1.643 -3.649 1.00 0.00 H new HETATM 0 H123 DMY F 7 7.570 -6.790 -2.234 1.00 0.00 H new HETATM 0 H122 DMY F 7 8.633 -5.739 -3.199 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.262 -7.261 -2.524 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.593 5.271 -1.001 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.202 1.086 -1.905 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.181 -2.440 0.525 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.593 -4.947 2.851 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.098 -5.385 7.179 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.821 -3.521 1.440 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.513 -8.244 2.096 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.419 -6.718 1.964 1.00 0.00 H new HETATM 0 H61 DMY F 7 15.875 -7.921 3.194 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.036 -7.327 5.562 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.513 -5.026 4.730 1.00 0.00 H new HETATM 0 H17 DMY F 7 4.786 -2.862 -2.451 1.00 0.00 H new HETATM 0 H15 DMY F 7 5.834 -0.178 0.727 1.00 0.00 H new HETATM 0 H11 DMY F 7 10.675 -6.932 -0.396 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.287 -6.112 9.075 1.00 0.00 H new