USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 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= -0.11 (180deg=-2.86) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.365) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ -136:sc= 0.549 (180deg=0.0579) USER MOD Single : B 1 DT C7 :methyl 150:sc=-0.00886 (180deg=-0.00886) USER MOD Single : B 1 DT O5' : rot -25:sc= 0.0601 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= 0.468 (180deg=0.286) USER MOD Single : E 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl -30:sc= -0.508 (180deg=-2.33) 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 -30:sc= 0 (180deg=-2.75!) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= -0.546 (180deg=-2.5!) 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 12.675 19.259 6.259 1.00 0.00 O ATOM 2 C5' DT A 1 12.230 18.215 7.121 1.00 0.00 C ATOM 3 C4' DT A 1 10.860 17.687 6.661 1.00 0.00 C ATOM 4 O4' DT A 1 10.965 17.075 5.364 1.00 0.00 O ATOM 5 C3' DT A 1 10.297 16.608 7.585 1.00 0.00 C ATOM 6 O3' DT A 1 9.428 17.192 8.564 1.00 0.00 O ATOM 7 C2' DT A 1 9.493 15.699 6.668 1.00 0.00 C ATOM 8 C1' DT A 1 9.920 16.081 5.244 1.00 0.00 C ATOM 9 N1 DT A 1 10.403 14.920 4.448 1.00 0.00 N ATOM 10 C2 DT A 1 9.645 14.428 3.398 1.00 0.00 C ATOM 11 O2 DT A 1 8.612 14.976 3.015 1.00 0.00 O ATOM 12 N3 DT A 1 10.041 13.325 2.719 1.00 0.00 N ATOM 13 C4 DT A 1 11.184 12.648 2.961 1.00 0.00 C ATOM 14 O4 DT A 1 11.481 11.689 2.254 1.00 0.00 O ATOM 15 C5 DT A 1 12.108 13.174 4.100 1.00 0.00 C ATOM 16 C7 DT A 1 13.461 12.549 4.351 1.00 0.00 C ATOM 17 C6 DT A 1 11.675 14.242 4.820 1.00 0.00 C ATOM 0 H5' DT A 1 12.160 18.585 8.144 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.957 17.403 7.125 1.00 0.00 H new ATOM 0 H4' DT A 1 10.203 18.557 6.659 1.00 0.00 H new ATOM 0 H3' DT A 1 11.083 16.079 8.123 1.00 0.00 H new ATOM 0 H2' DT A 1 9.702 14.649 6.873 1.00 0.00 H new ATOM 0 H2'' DT A 1 8.422 15.845 6.810 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.547 19.586 6.565 1.00 0.00 H new ATOM 0 H1' DT A 1 9.053 16.467 4.707 1.00 0.00 H new ATOM 0 H3 DT A 1 9.434 12.982 1.974 1.00 0.00 H new ATOM 0 H71 DT A 1 13.433 11.496 4.070 1.00 0.00 H new ATOM 0 H72 DT A 1 14.216 13.064 3.756 1.00 0.00 H new ATOM 0 H73 DT A 1 13.711 12.635 5.408 1.00 0.00 H new ATOM 0 H6 DT A 1 12.252 14.598 5.660 1.00 0.00 H new ATOM 31 P DG A 2 9.340 16.594 10.060 1.00 0.00 P ATOM 32 OP1 DG A 2 10.151 17.526 10.972 1.00 0.00 O ATOM 33 OP2 DG A 2 9.943 15.197 10.052 1.00 0.00 O ATOM 34 O5' DG A 2 7.803 16.516 10.539 1.00 0.00 O ATOM 35 C5' DG A 2 6.701 17.285 10.002 1.00 0.00 C ATOM 36 C4' DG A 2 5.388 16.462 9.981 1.00 0.00 C ATOM 37 O4' DG A 2 5.415 15.572 8.842 1.00 0.00 O ATOM 38 C3' DG A 2 5.139 15.612 11.249 1.00 0.00 C ATOM 39 O3' DG A 2 3.756 15.668 11.658 1.00 0.00 O ATOM 40 C2' DG A 2 5.531 14.212 10.788 1.00 0.00 C ATOM 41 C1' DG A 2 5.231 14.219 9.287 1.00 0.00 C ATOM 42 N9 DG A 2 6.139 13.319 8.521 1.00 0.00 N ATOM 43 C8 DG A 2 7.526 13.297 8.436 1.00 0.00 C ATOM 44 N7 DG A 2 8.195 12.346 7.703 1.00 0.00 N ATOM 45 C5 DG A 2 7.076 11.670 7.256 1.00 0.00 C ATOM 46 C6 DG A 2 7.034 10.468 6.285 1.00 0.00 C ATOM 47 O6 DG A 2 8.044 9.934 5.843 1.00 0.00 O ATOM 48 N1 DG A 2 5.796 10.050 5.923 1.00 0.00 N ATOM 49 C2 DG A 2 4.584 10.695 6.392 1.00 0.00 C ATOM 50 N2 DG A 2 3.374 10.246 5.967 1.00 0.00 N ATOM 51 N3 DG A 2 4.612 11.705 7.182 1.00 0.00 N ATOM 52 C4 DG A 2 5.840 12.247 7.700 1.00 0.00 C ATOM 0 H5' DG A 2 6.943 17.611 8.990 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.558 18.184 10.601 1.00 0.00 H new ATOM 0 H4' DG A 2 4.579 17.190 9.929 1.00 0.00 H new ATOM 0 H3' DG A 2 5.699 15.954 12.119 1.00 0.00 H new ATOM 0 H2' DG A 2 6.584 14.007 10.984 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.955 13.445 11.307 1.00 0.00 H new ATOM 0 H1' DG A 2 4.217 13.857 9.117 1.00 0.00 H new ATOM 0 H8 DG A 2 8.095 14.050 8.962 1.00 0.00 H new ATOM 0 H1 DG A 2 5.713 9.250 5.296 1.00 0.00 H new ATOM 0 H21 DG A 2 2.519 10.696 6.294 1.00 0.00 H new ATOM 0 H22 DG A 2 3.320 9.459 5.321 1.00 0.00 H new ATOM 64 P DG A 3 3.244 15.057 13.076 1.00 0.00 P ATOM 65 OP1 DG A 3 2.296 16.073 13.731 1.00 0.00 O ATOM 66 OP2 DG A 3 4.419 14.851 14.028 1.00 0.00 O ATOM 67 O5' DG A 3 2.467 13.661 12.832 1.00 0.00 O ATOM 68 C5' DG A 3 1.447 13.470 11.815 1.00 0.00 C ATOM 69 C4' DG A 3 1.382 12.007 11.320 1.00 0.00 C ATOM 70 O4' DG A 3 2.530 11.720 10.462 1.00 0.00 O ATOM 71 C3' DG A 3 1.370 10.947 12.461 1.00 0.00 C ATOM 72 O3' DG A 3 0.425 9.873 12.239 1.00 0.00 O ATOM 73 C2' DG A 3 2.753 10.329 12.272 1.00 0.00 C ATOM 74 C1' DG A 3 2.879 10.367 10.758 1.00 0.00 C ATOM 75 N9 DG A 3 4.212 9.919 10.265 1.00 0.00 N ATOM 76 C8 DG A 3 5.518 10.265 10.590 1.00 0.00 C ATOM 77 N7 DG A 3 6.594 9.541 10.112 1.00 0.00 N ATOM 78 C5 DG A 3 5.863 8.614 9.379 1.00 0.00 C ATOM 79 C6 DG A 3 6.396 7.497 8.440 1.00 0.00 C ATOM 80 O6 DG A 3 7.587 7.265 8.289 1.00 0.00 O ATOM 81 N1 DG A 3 5.457 6.797 7.752 1.00 0.00 N ATOM 82 C2 DG A 3 4.040 7.076 7.878 1.00 0.00 C ATOM 83 N2 DG A 3 3.137 6.378 7.138 1.00 0.00 N ATOM 84 N3 DG A 3 3.596 7.986 8.661 1.00 0.00 N ATOM 85 C4 DG A 3 4.454 8.832 9.445 1.00 0.00 C ATOM 0 H5' DG A 3 1.651 14.129 10.971 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.476 13.759 12.218 1.00 0.00 H new ATOM 0 H4' DG A 3 0.437 11.927 10.783 1.00 0.00 H new ATOM 0 H3' DG A 3 1.121 11.392 13.424 1.00 0.00 H new ATOM 0 H2' DG A 3 3.534 10.906 12.766 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.809 9.314 12.666 1.00 0.00 H new ATOM 0 H1' DG A 3 2.234 9.660 10.237 1.00 0.00 H new ATOM 0 H8 DG A 3 5.696 11.117 11.229 1.00 0.00 H new ATOM 0 H1 DG A 3 5.759 6.050 7.126 1.00 0.00 H new ATOM 0 H21 DG A 3 2.141 6.577 7.229 1.00 0.00 H new ATOM 0 H22 DG A 3 3.456 5.656 6.492 1.00 0.00 H new ATOM 97 P DG A 4 -1.085 9.760 12.783 1.00 0.00 P ATOM 98 OP1 DG A 4 -1.990 10.833 12.176 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.153 9.897 14.315 1.00 0.00 O ATOM 100 O5' DG A 4 -1.670 8.291 12.448 1.00 0.00 O ATOM 101 C5' DG A 4 -1.900 7.775 11.105 1.00 0.00 C ATOM 102 C4' DG A 4 -1.408 6.315 10.914 1.00 0.00 C ATOM 103 O4' DG A 4 -0.022 6.307 10.481 1.00 0.00 O ATOM 104 C3' DG A 4 -1.480 5.424 12.184 1.00 0.00 C ATOM 105 O3' DG A 4 -2.039 4.126 11.913 1.00 0.00 O ATOM 106 C2' DG A 4 0.002 5.262 12.523 1.00 0.00 C ATOM 107 C1' DG A 4 0.590 5.186 11.120 1.00 0.00 C ATOM 108 N9 DG A 4 2.078 5.215 11.071 1.00 0.00 N ATOM 109 C8 DG A 4 3.045 5.905 11.797 1.00 0.00 C ATOM 110 N7 DG A 4 4.389 5.640 11.634 1.00 0.00 N ATOM 111 C5 DG A 4 4.254 4.671 10.650 1.00 0.00 C ATOM 112 C6 DG A 4 5.377 3.893 9.914 1.00 0.00 C ATOM 113 O6 DG A 4 6.565 4.044 10.169 1.00 0.00 O ATOM 114 N1 DG A 4 4.968 3.023 8.953 1.00 0.00 N ATOM 115 C2 DG A 4 3.565 2.810 8.650 1.00 0.00 C ATOM 116 N2 DG A 4 3.194 1.905 7.701 1.00 0.00 N ATOM 117 N3 DG A 4 2.634 3.436 9.269 1.00 0.00 N ATOM 118 C4 DG A 4 2.895 4.417 10.290 1.00 0.00 C ATOM 0 H5' DG A 4 -1.394 8.418 10.385 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.966 7.824 10.882 1.00 0.00 H new ATOM 0 H4' DG A 4 -2.090 5.898 10.173 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.105 5.857 12.965 1.00 0.00 H new ATOM 0 H2' DG A 4 0.393 6.105 13.093 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.200 4.363 13.107 1.00 0.00 H new ATOM 0 H1' DG A 4 0.384 4.235 10.629 1.00 0.00 H new ATOM 0 H8 DG A 4 2.737 6.663 12.502 1.00 0.00 H new ATOM 0 H1 DG A 4 5.671 2.503 8.428 1.00 0.00 H new ATOM 0 H21 DG A 4 2.206 1.760 7.493 1.00 0.00 H new ATOM 0 H22 DG A 4 3.904 1.372 7.199 1.00 0.00 H new ATOM 130 P DG A 5 -2.669 3.192 13.064 1.00 0.00 P ATOM 131 OP1 DG A 5 -4.058 3.728 13.430 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.839 3.299 14.356 1.00 0.00 O ATOM 133 O5' DG A 5 -2.775 1.655 12.551 1.00 0.00 O ATOM 134 C5' DG A 5 -3.130 1.259 11.188 1.00 0.00 C ATOM 135 C4' DG A 5 -2.324 0.025 10.705 1.00 0.00 C ATOM 136 O4' DG A 5 -0.963 0.452 10.469 1.00 0.00 O ATOM 137 C3' DG A 5 -2.285 -1.148 11.726 1.00 0.00 C ATOM 138 O3' DG A 5 -2.450 -2.454 11.114 1.00 0.00 O ATOM 139 C2' DG A 5 -0.873 -0.998 12.288 1.00 0.00 C ATOM 140 C1' DG A 5 -0.100 -0.508 11.067 1.00 0.00 C ATOM 141 N9 DG A 5 1.231 0.078 11.389 1.00 0.00 N ATOM 142 C8 DG A 5 1.667 0.966 12.367 1.00 0.00 C ATOM 143 N7 DG A 5 3.010 1.218 12.560 1.00 0.00 N ATOM 144 C5 DG A 5 3.478 0.432 11.516 1.00 0.00 C ATOM 145 C6 DG A 5 4.950 0.174 11.096 1.00 0.00 C ATOM 146 O6 DG A 5 5.906 0.644 11.700 1.00 0.00 O ATOM 147 N1 DG A 5 5.126 -0.636 10.019 1.00 0.00 N ATOM 148 C2 DG A 5 4.006 -1.225 9.300 1.00 0.00 C ATOM 149 N2 DG A 5 4.222 -2.025 8.220 1.00 0.00 N ATOM 150 N3 DG A 5 2.795 -1.034 9.664 1.00 0.00 N ATOM 151 C4 DG A 5 2.436 -0.216 10.786 1.00 0.00 C ATOM 0 H5' DG A 5 -2.951 2.094 10.511 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.196 1.034 11.143 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.821 -0.350 9.810 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.093 -1.099 12.456 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.834 -0.283 13.110 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.482 -1.942 12.668 1.00 0.00 H new ATOM 0 H1' DG A 5 0.144 -1.338 10.405 1.00 0.00 H new ATOM 0 H8 DG A 5 0.940 1.468 12.988 1.00 0.00 H new ATOM 0 H1 DG A 5 6.075 -0.838 9.704 1.00 0.00 H new ATOM 0 H21 DG A 5 3.431 -2.434 7.722 1.00 0.00 H new ATOM 0 H22 DG A 5 5.175 -2.216 7.909 1.00 0.00 H new ATOM 163 P DT A 6 -2.652 -3.828 11.971 1.00 0.00 P ATOM 164 OP1 DT A 6 -3.981 -4.493 11.584 1.00 0.00 O ATOM 165 OP2 DT A 6 -2.704 -3.547 13.477 1.00 0.00 O ATOM 166 O5' DT A 6 -1.443 -4.869 11.682 1.00 0.00 O ATOM 167 C5' DT A 6 -1.109 -5.337 10.352 1.00 0.00 C ATOM 168 C4' DT A 6 0.390 -5.663 10.203 1.00 0.00 C ATOM 169 O4' DT A 6 1.182 -4.494 10.454 1.00 0.00 O ATOM 170 C3' DT A 6 0.952 -6.699 11.180 1.00 0.00 C ATOM 171 O3' DT A 6 0.708 -8.043 10.779 1.00 0.00 O ATOM 172 C2' DT A 6 2.449 -6.384 11.151 1.00 0.00 C ATOM 173 C1' DT A 6 2.537 -4.902 10.719 1.00 0.00 C ATOM 174 N1 DT A 6 3.185 -4.052 11.758 1.00 0.00 N ATOM 175 C2 DT A 6 4.539 -3.785 11.680 1.00 0.00 C ATOM 176 O2 DT A 6 5.238 -4.216 10.764 1.00 0.00 O ATOM 177 N3 DT A 6 5.167 -3.051 12.621 1.00 0.00 N ATOM 178 C4 DT A 6 4.550 -2.506 13.698 1.00 0.00 C ATOM 179 O4 DT A 6 5.205 -1.895 14.538 1.00 0.00 O ATOM 180 C5 DT A 6 3.008 -2.729 13.829 1.00 0.00 C ATOM 181 C7 DT A 6 2.239 -2.093 14.973 1.00 0.00 C ATOM 182 C6 DT A 6 2.391 -3.461 12.872 1.00 0.00 C ATOM 0 H5' DT A 6 -1.387 -4.577 9.622 1.00 0.00 H new ATOM 0 H5'' DT A 6 -1.696 -6.227 10.125 1.00 0.00 H new ATOM 0 H4' DT A 6 0.449 -6.054 9.187 1.00 0.00 H new ATOM 0 H3' DT A 6 0.490 -6.634 12.165 1.00 0.00 H new ATOM 0 H2' DT A 6 2.904 -6.538 12.130 1.00 0.00 H new ATOM 0 H2'' DT A 6 2.975 -7.032 10.450 1.00 0.00 H new ATOM 0 HO3' DT A 6 1.091 -8.656 11.440 1.00 0.00 H new ATOM 0 H1' DT A 6 3.165 -4.785 9.836 1.00 0.00 H new ATOM 0 H3 DT A 6 6.170 -2.896 12.516 1.00 0.00 H new ATOM 0 H71 DT A 6 2.892 -1.993 15.840 1.00 0.00 H new ATOM 0 H72 DT A 6 1.885 -1.108 14.670 1.00 0.00 H new ATOM 0 H73 DT A 6 1.386 -2.721 15.232 1.00 0.00 H new ATOM 0 H6 DT A 6 1.323 -3.617 12.916 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.828 8.041 -6.651 1.00 0.00 O ATOM 198 C5' DT B 1 7.707 6.728 -6.106 1.00 0.00 C ATOM 199 C4' DT B 1 8.956 6.369 -5.276 1.00 0.00 C ATOM 200 O4' DT B 1 9.177 7.428 -4.312 1.00 0.00 O ATOM 201 C3' DT B 1 8.799 5.050 -4.482 1.00 0.00 C ATOM 202 O3' DT B 1 10.016 4.283 -4.479 1.00 0.00 O ATOM 203 C2' DT B 1 8.554 5.548 -3.065 1.00 0.00 C ATOM 204 C1' DT B 1 9.382 6.834 -3.016 1.00 0.00 C ATOM 205 N1 DT B 1 8.990 7.789 -1.939 1.00 0.00 N ATOM 206 C2 DT B 1 9.926 8.199 -1.004 1.00 0.00 C ATOM 207 O2 DT B 1 11.101 7.843 -1.062 1.00 0.00 O ATOM 208 N3 DT B 1 9.593 9.037 0.003 1.00 0.00 N ATOM 209 C4 DT B 1 8.362 9.575 0.170 1.00 0.00 C ATOM 210 O4 DT B 1 8.151 10.392 1.060 1.00 0.00 O ATOM 211 C5 DT B 1 7.259 9.175 -0.861 1.00 0.00 C ATOM 212 C7 DT B 1 5.854 9.727 -0.721 1.00 0.00 C ATOM 213 C6 DT B 1 7.600 8.316 -1.849 1.00 0.00 C ATOM 0 H5' DT B 1 7.578 6.004 -6.911 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.817 6.669 -5.479 1.00 0.00 H new ATOM 0 H4' DT B 1 9.784 6.248 -5.974 1.00 0.00 H new ATOM 0 H3' DT B 1 8.021 4.410 -4.898 1.00 0.00 H new ATOM 0 H2' DT B 1 7.497 5.739 -2.879 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.883 4.825 -2.319 1.00 0.00 H new ATOM 0 HO5' DT B 1 8.438 8.571 -6.096 1.00 0.00 H new ATOM 0 H1' DT B 1 10.422 6.601 -2.785 1.00 0.00 H new ATOM 0 H3 DT B 1 10.316 9.280 0.681 1.00 0.00 H new ATOM 0 H71 DT B 1 5.396 9.811 -1.707 1.00 0.00 H new ATOM 0 H72 DT B 1 5.260 9.056 -0.101 1.00 0.00 H new ATOM 0 H73 DT B 1 5.895 10.712 -0.255 1.00 0.00 H new ATOM 0 H6 DT B 1 6.861 8.011 -2.575 1.00 0.00 H new ATOM 227 P DG B 2 10.253 3.009 -5.447 1.00 0.00 P ATOM 228 OP1 DG B 2 10.636 3.514 -6.845 1.00 0.00 O ATOM 229 OP2 DG B 2 8.940 2.234 -5.608 1.00 0.00 O ATOM 230 O5' DG B 2 11.417 2.046 -4.853 1.00 0.00 O ATOM 231 C5' DG B 2 12.847 2.330 -4.909 1.00 0.00 C ATOM 232 C4' DG B 2 13.574 2.236 -3.544 1.00 0.00 C ATOM 233 O4' DG B 2 13.297 3.423 -2.783 1.00 0.00 O ATOM 234 C3' DG B 2 13.204 1.033 -2.645 1.00 0.00 C ATOM 235 O3' DG B 2 14.132 -0.089 -2.675 1.00 0.00 O ATOM 236 C2' DG B 2 13.035 1.633 -1.245 1.00 0.00 C ATOM 237 C1' DG B 2 13.427 3.114 -1.391 1.00 0.00 C ATOM 238 N9 DG B 2 12.538 4.025 -0.616 1.00 0.00 N ATOM 239 C8 DG B 2 11.161 4.166 -0.667 1.00 0.00 C ATOM 240 N7 DG B 2 10.478 4.960 0.221 1.00 0.00 N ATOM 241 C5 DG B 2 11.591 5.448 0.889 1.00 0.00 C ATOM 242 C6 DG B 2 11.621 6.528 1.998 1.00 0.00 C ATOM 243 O6 DG B 2 10.607 7.059 2.438 1.00 0.00 O ATOM 244 N1 DG B 2 12.852 6.888 2.440 1.00 0.00 N ATOM 245 C2 DG B 2 14.072 6.335 1.883 1.00 0.00 C ATOM 246 N2 DG B 2 15.279 6.769 2.347 1.00 0.00 N ATOM 247 N3 DG B 2 14.057 5.469 0.934 1.00 0.00 N ATOM 248 C4 DG B 2 12.833 4.939 0.386 1.00 0.00 C ATOM 0 H5' DG B 2 12.990 3.332 -5.315 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.316 1.634 -5.605 1.00 0.00 H new ATOM 0 H4' DG B 2 14.623 2.109 -3.812 1.00 0.00 H new ATOM 0 H3' DG B 2 12.295 0.560 -3.015 1.00 0.00 H new ATOM 0 H2' DG B 2 12.008 1.530 -0.894 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.672 1.127 -0.520 1.00 0.00 H new ATOM 0 H1' DG B 2 14.437 3.259 -1.008 1.00 0.00 H new ATOM 0 H8 DG B 2 10.608 3.636 -1.428 1.00 0.00 H new ATOM 0 H1 DG B 2 12.922 7.573 3.192 1.00 0.00 H new ATOM 0 H21 DG B 2 16.142 6.385 1.961 1.00 0.00 H new ATOM 0 H22 DG B 2 15.319 7.477 3.080 1.00 0.00 H new ATOM 260 P DG B 3 15.724 -0.065 -2.351 1.00 0.00 P ATOM 261 OP1 DG B 3 16.492 0.087 -3.674 1.00 0.00 O ATOM 262 OP2 DG B 3 16.135 -1.398 -1.720 1.00 0.00 O ATOM 263 O5' DG B 3 16.073 1.183 -1.374 1.00 0.00 O ATOM 264 C5' DG B 3 17.219 1.291 -0.497 1.00 0.00 C ATOM 265 C4' DG B 3 16.831 1.421 0.998 1.00 0.00 C ATOM 266 O4' DG B 3 15.693 2.291 1.244 1.00 0.00 O ATOM 267 C3' DG B 3 16.468 0.094 1.692 1.00 0.00 C ATOM 268 O3' DG B 3 17.625 -0.630 2.205 1.00 0.00 O ATOM 269 C2' DG B 3 15.423 0.502 2.738 1.00 0.00 C ATOM 270 C1' DG B 3 15.338 2.025 2.613 1.00 0.00 C ATOM 271 N9 DG B 3 14.000 2.561 3.011 1.00 0.00 N ATOM 272 C8 DG B 3 12.706 2.272 2.590 1.00 0.00 C ATOM 273 N7 DG B 3 11.602 2.796 3.233 1.00 0.00 N ATOM 274 C5 DG B 3 12.297 3.547 4.171 1.00 0.00 C ATOM 275 C6 DG B 3 11.719 4.512 5.244 1.00 0.00 C ATOM 276 O6 DG B 3 10.517 4.679 5.407 1.00 0.00 O ATOM 277 N1 DG B 3 12.632 5.180 5.997 1.00 0.00 N ATOM 278 C2 DG B 3 14.063 5.015 5.804 1.00 0.00 C ATOM 279 N2 DG B 3 14.943 5.701 6.581 1.00 0.00 N ATOM 280 N3 DG B 3 14.537 4.232 4.909 1.00 0.00 N ATOM 281 C4 DG B 3 13.717 3.440 4.041 1.00 0.00 C ATOM 0 H5' DG B 3 17.812 2.158 -0.789 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.852 0.413 -0.627 1.00 0.00 H new ATOM 0 H4' DG B 3 17.751 1.836 1.411 1.00 0.00 H new ATOM 0 H3' DG B 3 16.059 -0.648 1.006 1.00 0.00 H new ATOM 0 H2' DG B 3 14.459 0.032 2.542 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.726 0.201 3.741 1.00 0.00 H new ATOM 0 H1' DG B 3 16.012 2.539 3.299 1.00 0.00 H new ATOM 0 H8 DG B 3 12.561 1.622 1.740 1.00 0.00 H new ATOM 0 H1 DG B 3 12.302 5.818 6.721 1.00 0.00 H new ATOM 0 H21 DG B 3 15.946 5.582 6.442 1.00 0.00 H new ATOM 0 H22 DG B 3 14.600 6.335 7.303 1.00 0.00 H new ATOM 293 P DG B 4 18.403 -0.450 3.629 1.00 0.00 P ATOM 294 OP1 DG B 4 19.845 -0.944 3.443 1.00 0.00 O ATOM 295 OP2 DG B 4 17.746 -1.322 4.710 1.00 0.00 O ATOM 296 O5' DG B 4 18.410 1.109 4.074 1.00 0.00 O ATOM 297 C5' DG B 4 19.281 1.699 5.079 1.00 0.00 C ATOM 298 C4' DG B 4 18.644 1.843 6.483 1.00 0.00 C ATOM 299 O4' DG B 4 17.267 2.310 6.435 1.00 0.00 O ATOM 300 C3' DG B 4 18.645 0.551 7.343 1.00 0.00 C ATOM 301 O3' DG B 4 19.495 0.669 8.505 1.00 0.00 O ATOM 302 C2' DG B 4 17.189 0.464 7.791 1.00 0.00 C ATOM 303 C1' DG B 4 16.713 1.903 7.686 1.00 0.00 C ATOM 304 N9 DG B 4 15.231 2.002 7.755 1.00 0.00 N ATOM 305 C8 DG B 4 14.228 1.433 6.990 1.00 0.00 C ATOM 306 N7 DG B 4 12.898 1.616 7.297 1.00 0.00 N ATOM 307 C5 DG B 4 13.089 2.445 8.391 1.00 0.00 C ATOM 308 C6 DG B 4 12.012 3.067 9.317 1.00 0.00 C ATOM 309 O6 DG B 4 10.812 2.898 9.147 1.00 0.00 O ATOM 310 N1 DG B 4 12.479 3.797 10.363 1.00 0.00 N ATOM 311 C2 DG B 4 13.899 3.951 10.623 1.00 0.00 C ATOM 312 N2 DG B 4 14.329 4.577 11.749 1.00 0.00 N ATOM 313 N3 DG B 4 14.789 3.462 9.844 1.00 0.00 N ATOM 314 C4 DG B 4 14.467 2.682 8.684 1.00 0.00 C ATOM 0 H5' DG B 4 19.595 2.684 4.735 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.180 1.089 5.164 1.00 0.00 H new ATOM 0 H4' DG B 4 19.295 2.580 6.953 1.00 0.00 H new ATOM 0 H3' DG B 4 19.015 -0.315 6.794 1.00 0.00 H new ATOM 0 H2' DG B 4 16.609 -0.201 7.151 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.102 0.083 8.809 1.00 0.00 H new ATOM 0 H1' DG B 4 17.032 2.545 8.507 1.00 0.00 H new ATOM 0 H8 DG B 4 14.494 0.832 6.133 1.00 0.00 H new ATOM 0 H1 DG B 4 11.811 4.251 10.986 1.00 0.00 H new ATOM 0 H21 DG B 4 15.328 4.681 11.925 1.00 0.00 H new ATOM 0 H22 DG B 4 13.653 4.943 12.419 1.00 0.00 H new ATOM 326 P DG B 5 19.821 -0.550 9.522 1.00 0.00 P ATOM 327 OP1 DG B 5 21.272 -1.013 9.336 1.00 0.00 O ATOM 328 OP2 DG B 5 18.897 -1.764 9.259 1.00 0.00 O ATOM 329 O5' DG B 5 19.611 -0.067 11.052 1.00 0.00 O ATOM 330 C5' DG B 5 19.863 1.274 11.570 1.00 0.00 C ATOM 331 C4' DG B 5 18.945 1.581 12.783 1.00 0.00 C ATOM 332 O4' DG B 5 17.601 1.854 12.294 1.00 0.00 O ATOM 333 C3' DG B 5 18.832 0.403 13.804 1.00 0.00 C ATOM 334 O3' DG B 5 18.906 0.823 15.195 1.00 0.00 O ATOM 335 C2' DG B 5 17.433 -0.114 13.470 1.00 0.00 C ATOM 336 C1' DG B 5 16.707 1.193 13.183 1.00 0.00 C ATOM 337 N9 DG B 5 15.343 0.985 12.624 1.00 0.00 N ATOM 338 C8 DG B 5 14.876 0.288 11.520 1.00 0.00 C ATOM 339 N7 DG B 5 13.523 0.137 11.284 1.00 0.00 N ATOM 340 C5 DG B 5 13.083 0.911 12.352 1.00 0.00 C ATOM 341 C6 DG B 5 11.623 1.280 12.732 1.00 0.00 C ATOM 342 O6 DG B 5 10.648 0.826 12.147 1.00 0.00 O ATOM 343 N1 DG B 5 11.478 2.113 13.797 1.00 0.00 N ATOM 344 C2 DG B 5 12.612 2.588 14.569 1.00 0.00 C ATOM 345 N2 DG B 5 12.417 3.364 15.675 1.00 0.00 N ATOM 346 N3 DG B 5 13.814 2.271 14.268 1.00 0.00 N ATOM 347 C4 DG B 5 14.148 1.434 13.149 1.00 0.00 C ATOM 0 H5' DG B 5 19.692 2.010 10.784 1.00 0.00 H new ATOM 0 H5'' DG B 5 20.908 1.363 11.868 1.00 0.00 H new ATOM 0 H4' DG B 5 19.394 2.430 13.299 1.00 0.00 H new ATOM 0 H3' DG B 5 19.644 -0.319 13.718 1.00 0.00 H new ATOM 0 H2' DG B 5 17.434 -0.784 12.610 1.00 0.00 H new ATOM 0 H2'' DG B 5 16.986 -0.662 14.300 1.00 0.00 H new ATOM 0 H1' DG B 5 16.499 1.781 14.077 1.00 0.00 H new ATOM 0 H8 DG B 5 15.585 -0.146 10.830 1.00 0.00 H new ATOM 0 H1 DG B 5 10.540 2.414 14.063 1.00 0.00 H new ATOM 0 H21 DG B 5 13.218 3.695 16.214 1.00 0.00 H new ATOM 0 H22 DG B 5 11.471 3.613 15.963 1.00 0.00 H new ATOM 359 P DT B 6 18.747 -0.194 16.464 1.00 0.00 P ATOM 360 OP1 DT B 6 19.852 0.072 17.497 1.00 0.00 O ATOM 361 OP2 DT B 6 18.884 -1.658 16.025 1.00 0.00 O ATOM 362 O5' DT B 6 17.303 0.000 17.181 1.00 0.00 O ATOM 363 C5' DT B 6 16.838 1.292 17.651 1.00 0.00 C ATOM 364 C4' DT B 6 15.382 1.257 18.165 1.00 0.00 C ATOM 365 O4' DT B 6 14.495 0.940 17.086 1.00 0.00 O ATOM 366 C3' DT B 6 15.082 0.226 19.272 1.00 0.00 C ATOM 367 O3' DT B 6 14.915 0.858 20.538 1.00 0.00 O ATOM 368 C2' DT B 6 13.774 -0.442 18.829 1.00 0.00 C ATOM 369 C1' DT B 6 13.295 0.381 17.625 1.00 0.00 C ATOM 370 N1 DT B 6 12.585 -0.430 16.593 1.00 0.00 N ATOM 371 C2 DT B 6 11.219 -0.296 16.415 1.00 0.00 C ATOM 372 O2 DT B 6 10.532 0.405 17.155 1.00 0.00 O ATOM 373 N3 DT B 6 10.577 -0.951 15.420 1.00 0.00 N ATOM 374 C4 DT B 6 11.187 -1.772 14.527 1.00 0.00 C ATOM 375 O4 DT B 6 10.527 -2.377 13.685 1.00 0.00 O ATOM 376 C5 DT B 6 12.736 -1.937 14.648 1.00 0.00 C ATOM 377 C7 DT B 6 13.516 -2.810 13.682 1.00 0.00 C ATOM 378 C6 DT B 6 13.366 -1.278 15.650 1.00 0.00 C ATOM 0 H5' DT B 6 16.914 2.017 16.840 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.492 1.639 18.451 1.00 0.00 H new ATOM 0 H4' DT B 6 15.234 2.251 18.587 1.00 0.00 H new ATOM 0 H3' DT B 6 15.898 -0.486 19.396 1.00 0.00 H new ATOM 0 H2' DT B 6 13.936 -1.484 18.555 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.036 -0.435 19.631 1.00 0.00 H new ATOM 0 HO3' DT B 6 14.724 0.180 21.219 1.00 0.00 H new ATOM 0 H1' DT B 6 12.563 1.127 17.933 1.00 0.00 H new ATOM 0 H3 DT B 6 9.569 -0.819 15.335 1.00 0.00 H new ATOM 0 H71 DT B 6 14.525 -2.413 13.566 1.00 0.00 H new ATOM 0 H72 DT B 6 13.568 -3.827 14.071 1.00 0.00 H new ATOM 0 H73 DT B 6 13.016 -2.818 12.714 1.00 0.00 H new ATOM 0 H6 DT B 6 14.436 -1.368 15.765 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 20.694 6.100 0.458 1.00 0.00 O ATOM 394 C5' DT E 1 19.734 7.004 -0.095 1.00 0.00 C ATOM 395 C4' DT E 1 19.653 8.277 0.764 1.00 0.00 C ATOM 396 O4' DT E 1 18.881 9.308 0.097 1.00 0.00 O ATOM 397 C3' DT E 1 18.984 8.066 2.122 1.00 0.00 C ATOM 398 O3' DT E 1 19.921 7.694 3.138 1.00 0.00 O ATOM 399 C2' DT E 1 18.474 9.459 2.420 1.00 0.00 C ATOM 400 C1' DT E 1 18.054 10.017 1.062 1.00 0.00 C ATOM 401 N1 DT E 1 16.590 9.917 0.777 1.00 0.00 N ATOM 402 C2 DT E 1 15.684 10.641 1.546 1.00 0.00 C ATOM 403 O2 DT E 1 16.037 11.403 2.443 1.00 0.00 O ATOM 404 N3 DT E 1 14.356 10.573 1.297 1.00 0.00 N ATOM 405 C4 DT E 1 13.805 9.876 0.284 1.00 0.00 C ATOM 406 O4 DT E 1 12.600 9.992 0.085 1.00 0.00 O ATOM 407 C5 DT E 1 14.756 9.042 -0.628 1.00 0.00 C ATOM 408 C7 DT E 1 14.214 8.210 -1.772 1.00 0.00 C ATOM 409 C6 DT E 1 16.083 9.062 -0.332 1.00 0.00 C ATOM 0 H5' DT E 1 18.756 6.525 -0.142 1.00 0.00 H new ATOM 0 H5'' DT E 1 20.012 7.262 -1.117 1.00 0.00 H new ATOM 0 H4' DT E 1 20.694 8.566 0.911 1.00 0.00 H new ATOM 0 H3' DT E 1 18.235 7.274 2.104 1.00 0.00 H new ATOM 0 H2' DT E 1 17.634 9.433 3.114 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.248 10.074 2.879 1.00 0.00 H new ATOM 0 HO5' DT E 1 20.738 5.292 -0.094 1.00 0.00 H new ATOM 0 H1' DT E 1 18.213 11.094 1.020 1.00 0.00 H new ATOM 0 H3 DT E 1 13.729 11.084 1.918 1.00 0.00 H new ATOM 0 H71 DT E 1 14.960 8.152 -2.565 1.00 0.00 H new ATOM 0 H72 DT E 1 13.984 7.206 -1.415 1.00 0.00 H new ATOM 0 H73 DT E 1 13.307 8.673 -2.161 1.00 0.00 H new ATOM 0 H6 DT E 1 16.771 8.456 -0.903 1.00 0.00 H new ATOM 423 P DG E 2 19.441 6.933 4.490 1.00 0.00 P ATOM 424 OP1 DG E 2 20.132 5.577 4.468 1.00 0.00 O ATOM 425 OP2 DG E 2 17.921 6.819 4.458 1.00 0.00 O ATOM 426 O5' DG E 2 19.903 7.813 5.777 1.00 0.00 O ATOM 427 C5' DG E 2 19.817 9.255 5.856 1.00 0.00 C ATOM 428 C4' DG E 2 18.954 9.827 7.010 1.00 0.00 C ATOM 429 O4' DG E 2 17.859 10.644 6.515 1.00 0.00 O ATOM 430 C3' DG E 2 18.364 8.844 8.025 1.00 0.00 C ATOM 431 O3' DG E 2 19.270 8.686 9.127 1.00 0.00 O ATOM 432 C2' DG E 2 17.106 9.556 8.498 1.00 0.00 C ATOM 433 C1' DG E 2 16.686 10.462 7.342 1.00 0.00 C ATOM 434 N9 DG E 2 15.550 9.892 6.562 1.00 0.00 N ATOM 435 C8 DG E 2 15.555 9.030 5.470 1.00 0.00 C ATOM 436 N7 DG E 2 14.387 8.597 4.892 1.00 0.00 N ATOM 437 C5 DG E 2 13.516 9.194 5.780 1.00 0.00 C ATOM 438 C6 DG E 2 11.970 9.236 5.688 1.00 0.00 C ATOM 439 O6 DG E 2 11.332 8.636 4.834 1.00 0.00 O ATOM 440 N1 DG E 2 11.346 10.041 6.580 1.00 0.00 N ATOM 441 C2 DG E 2 12.069 10.841 7.542 1.00 0.00 C ATOM 442 N2 DG E 2 11.383 11.712 8.330 1.00 0.00 N ATOM 443 N3 DG E 2 13.356 10.820 7.627 1.00 0.00 N ATOM 444 C4 DG E 2 14.175 9.994 6.769 1.00 0.00 C ATOM 0 H5' DG E 2 19.417 9.627 4.913 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.827 9.654 5.953 1.00 0.00 H new ATOM 0 H4' DG E 2 19.703 10.404 7.553 1.00 0.00 H new ATOM 0 H3' DG E 2 18.176 7.853 7.613 1.00 0.00 H new ATOM 0 H2' DG E 2 16.320 8.842 8.741 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.300 10.136 9.400 1.00 0.00 H new ATOM 0 H1' DG E 2 16.322 11.417 7.722 1.00 0.00 H new ATOM 0 H8 DG E 2 16.499 8.694 5.068 1.00 0.00 H new ATOM 0 H1 DG E 2 10.327 10.084 6.573 1.00 0.00 H new ATOM 0 H21 DG E 2 11.881 12.283 9.013 1.00 0.00 H new ATOM 0 H22 DG E 2 10.371 11.794 8.238 1.00 0.00 H new ATOM 456 P DG E 3 19.209 7.398 10.111 1.00 0.00 P ATOM 457 OP1 DG E 3 20.652 7.043 10.476 1.00 0.00 O ATOM 458 OP2 DG E 3 18.475 6.248 9.449 1.00 0.00 O ATOM 459 O5' DG E 3 18.423 7.817 11.446 1.00 0.00 O ATOM 460 C5' DG E 3 18.448 9.110 12.070 1.00 0.00 C ATOM 461 C4' DG E 3 17.106 9.367 12.787 1.00 0.00 C ATOM 462 O4' DG E 3 16.059 9.561 11.798 1.00 0.00 O ATOM 463 C3' DG E 3 16.680 8.202 13.701 1.00 0.00 C ATOM 464 O3' DG E 3 16.082 8.686 14.914 1.00 0.00 O ATOM 465 C2' DG E 3 15.616 7.527 12.855 1.00 0.00 C ATOM 466 C1' DG E 3 14.951 8.711 12.153 1.00 0.00 C ATOM 467 N9 DG E 3 14.142 8.305 10.965 1.00 0.00 N ATOM 468 C8 DG E 3 14.438 7.411 9.940 1.00 0.00 C ATOM 469 N7 DG E 3 13.479 6.974 9.062 1.00 0.00 N ATOM 470 C5 DG E 3 12.416 7.645 9.621 1.00 0.00 C ATOM 471 C6 DG E 3 10.934 7.562 9.192 1.00 0.00 C ATOM 472 O6 DG E 3 10.548 6.866 8.261 1.00 0.00 O ATOM 473 N1 DG E 3 10.072 8.340 9.891 1.00 0.00 N ATOM 474 C2 DG E 3 10.508 9.212 10.963 1.00 0.00 C ATOM 475 N2 DG E 3 9.603 10.042 11.561 1.00 0.00 N ATOM 476 N3 DG E 3 11.733 9.257 11.351 1.00 0.00 N ATOM 477 C4 DG E 3 12.779 8.478 10.728 1.00 0.00 C ATOM 0 H5' DG E 3 18.625 9.882 11.322 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.269 9.164 12.785 1.00 0.00 H new ATOM 0 H4' DG E 3 17.249 10.252 13.406 1.00 0.00 H new ATOM 0 H3' DG E 3 17.509 7.563 14.003 1.00 0.00 H new ATOM 0 H2' DG E 3 16.049 6.824 12.143 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.907 6.967 13.465 1.00 0.00 H new ATOM 0 H1' DG E 3 14.224 9.212 12.792 1.00 0.00 H new ATOM 0 H8 DG E 3 15.451 7.051 9.833 1.00 0.00 H new ATOM 0 H1 DG E 3 9.080 8.311 9.654 1.00 0.00 H new ATOM 0 H21 DG E 3 9.899 10.660 12.317 1.00 0.00 H new ATOM 0 H22 DG E 3 8.631 10.044 11.252 1.00 0.00 H new ATOM 489 P DG E 4 16.174 7.833 16.281 1.00 0.00 P ATOM 490 OP1 DG E 4 17.436 8.284 17.031 1.00 0.00 O ATOM 491 OP2 DG E 4 16.253 6.341 15.982 1.00 0.00 O ATOM 492 O5' DG E 4 14.883 8.112 17.191 1.00 0.00 O ATOM 493 C5' DG E 4 14.239 9.390 17.365 1.00 0.00 C ATOM 494 C4' DG E 4 12.721 9.210 17.609 1.00 0.00 C ATOM 495 O4' DG E 4 12.058 9.034 16.331 1.00 0.00 O ATOM 496 C3' DG E 4 12.354 8.000 18.499 1.00 0.00 C ATOM 497 O3' DG E 4 11.277 8.303 19.409 1.00 0.00 O ATOM 498 C2' DG E 4 11.879 6.996 17.458 1.00 0.00 C ATOM 499 C1' DG E 4 11.212 7.882 16.403 1.00 0.00 C ATOM 500 N9 DG E 4 11.102 7.220 15.071 1.00 0.00 N ATOM 501 C8 DG E 4 12.081 6.624 14.285 1.00 0.00 C ATOM 502 N7 DG E 4 11.766 5.911 13.153 1.00 0.00 N ATOM 503 C5 DG E 4 10.401 6.113 13.201 1.00 0.00 C ATOM 504 C6 DG E 4 9.334 5.576 12.216 1.00 0.00 C ATOM 505 O6 DG E 4 9.604 4.854 11.265 1.00 0.00 O ATOM 506 N1 DG E 4 8.057 5.955 12.460 1.00 0.00 N ATOM 507 C2 DG E 4 7.703 6.812 13.573 1.00 0.00 C ATOM 508 N2 DG E 4 6.406 7.188 13.739 1.00 0.00 N ATOM 509 N3 DG E 4 8.575 7.233 14.420 1.00 0.00 N ATOM 510 C4 DG E 4 9.980 6.920 14.308 1.00 0.00 C ATOM 0 H5' DG E 4 14.399 10.007 16.481 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.688 9.917 18.207 1.00 0.00 H new ATOM 0 H4' DG E 4 12.395 10.107 18.136 1.00 0.00 H new ATOM 0 H3' DG E 4 13.178 7.666 19.129 1.00 0.00 H new ATOM 0 H2' DG E 4 12.708 6.426 17.040 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.179 6.276 17.882 1.00 0.00 H new ATOM 0 H1' DG E 4 10.184 8.117 16.677 1.00 0.00 H new ATOM 0 H8 DG E 4 13.118 6.724 14.571 1.00 0.00 H new ATOM 0 H1 DG E 4 7.319 5.625 11.838 1.00 0.00 H new ATOM 0 H21 DG E 4 6.146 7.791 14.519 1.00 0.00 H new ATOM 0 H22 DG E 4 5.694 6.867 13.083 1.00 0.00 H new ATOM 522 P DG E 5 11.090 7.534 20.825 1.00 0.00 P ATOM 523 OP1 DG E 5 11.473 8.482 21.971 1.00 0.00 O ATOM 524 OP2 DG E 5 11.982 6.294 20.913 1.00 0.00 O ATOM 525 O5' DG E 5 9.559 7.064 21.008 1.00 0.00 O ATOM 526 C5' DG E 5 8.396 7.886 20.754 1.00 0.00 C ATOM 527 C4' DG E 5 7.205 7.031 20.262 1.00 0.00 C ATOM 528 O4' DG E 5 7.373 6.739 18.843 1.00 0.00 O ATOM 529 C3' DG E 5 7.033 5.675 20.999 1.00 0.00 C ATOM 530 O3' DG E 5 5.644 5.322 21.216 1.00 0.00 O ATOM 531 C2' DG E 5 7.580 4.719 19.943 1.00 0.00 C ATOM 532 C1' DG E 5 7.051 5.359 18.661 1.00 0.00 C ATOM 533 N9 DG E 5 7.612 4.772 17.408 1.00 0.00 N ATOM 534 C8 DG E 5 8.911 4.450 17.035 1.00 0.00 C ATOM 535 N7 DG E 5 9.178 3.704 15.910 1.00 0.00 N ATOM 536 C5 DG E 5 7.871 3.573 15.481 1.00 0.00 C ATOM 537 C6 DG E 5 7.352 2.796 14.244 1.00 0.00 C ATOM 538 O6 DG E 5 8.083 2.165 13.492 1.00 0.00 O ATOM 539 N1 DG E 5 6.010 2.830 14.044 1.00 0.00 N ATOM 540 C2 DG E 5 5.113 3.540 14.932 1.00 0.00 C ATOM 541 N2 DG E 5 3.773 3.566 14.675 1.00 0.00 N ATOM 542 N3 DG E 5 5.526 4.145 15.987 1.00 0.00 N ATOM 543 C4 DG E 5 6.924 4.222 16.337 1.00 0.00 C ATOM 0 H5' DG E 5 8.638 8.642 20.007 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.116 8.416 21.664 1.00 0.00 H new ATOM 0 H4' DG E 5 6.317 7.628 20.469 1.00 0.00 H new ATOM 0 H3' DG E 5 7.505 5.672 21.981 1.00 0.00 H new ATOM 0 H2' DG E 5 8.669 4.668 19.959 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.211 3.702 20.078 1.00 0.00 H new ATOM 0 H1' DG E 5 5.984 5.186 18.517 1.00 0.00 H new ATOM 0 H8 DG E 5 9.733 4.794 17.644 1.00 0.00 H new ATOM 0 H1 DG E 5 5.620 2.338 13.240 1.00 0.00 H new ATOM 0 H21 DG E 5 3.143 4.067 15.302 1.00 0.00 H new ATOM 0 H22 DG E 5 3.401 3.085 13.856 1.00 0.00 H new ATOM 555 P DT E 6 4.830 5.486 22.600 1.00 0.00 P ATOM 556 OP1 DT E 6 4.123 6.846 22.669 1.00 0.00 O ATOM 557 OP2 DT E 6 5.746 5.348 23.820 1.00 0.00 O ATOM 558 O5' DT E 6 3.701 4.321 22.698 1.00 0.00 O ATOM 559 C5' DT E 6 2.488 4.345 21.913 1.00 0.00 C ATOM 560 C4' DT E 6 2.308 3.105 21.017 1.00 0.00 C ATOM 561 O4' DT E 6 3.339 2.998 20.022 1.00 0.00 O ATOM 562 C3' DT E 6 2.331 1.741 21.714 1.00 0.00 C ATOM 563 O3' DT E 6 1.051 1.367 22.213 1.00 0.00 O ATOM 564 C2' DT E 6 2.783 0.785 20.600 1.00 0.00 C ATOM 565 C1' DT E 6 3.188 1.699 19.428 1.00 0.00 C ATOM 566 N1 DT E 6 4.409 1.251 18.700 1.00 0.00 N ATOM 567 C2 DT E 6 4.292 0.670 17.445 1.00 0.00 C ATOM 568 O2 DT E 6 3.203 0.467 16.917 1.00 0.00 O ATOM 569 N3 DT E 6 5.389 0.267 16.762 1.00 0.00 N ATOM 570 C4 DT E 6 6.654 0.364 17.223 1.00 0.00 C ATOM 571 O4 DT E 6 7.573 -0.093 16.547 1.00 0.00 O ATOM 572 C5 DT E 6 6.863 1.009 18.630 1.00 0.00 C ATOM 573 C7 DT E 6 8.263 1.158 19.197 1.00 0.00 C ATOM 574 C6 DT E 6 5.758 1.437 19.297 1.00 0.00 C ATOM 0 H5' DT E 6 2.488 5.238 21.288 1.00 0.00 H new ATOM 0 H5'' DT E 6 1.633 4.425 22.584 1.00 0.00 H new ATOM 0 H4' DT E 6 1.313 3.292 20.614 1.00 0.00 H new ATOM 0 H3' DT E 6 2.983 1.735 22.587 1.00 0.00 H new ATOM 0 H2' DT E 6 3.620 0.167 20.926 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.980 0.107 20.312 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.113 0.491 22.648 1.00 0.00 H new ATOM 0 H1' DT E 6 2.431 1.687 18.643 1.00 0.00 H new ATOM 0 H3 DT E 6 5.250 -0.138 15.836 1.00 0.00 H new ATOM 0 H71 DT E 6 8.897 0.356 18.817 1.00 0.00 H new ATOM 0 H72 DT E 6 8.677 2.121 18.897 1.00 0.00 H new ATOM 0 H73 DT E 6 8.223 1.104 20.285 1.00 0.00 H new ATOM 0 H6 DT E 6 5.860 1.912 20.261 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.719 13.132 6.393 1.00 0.00 O ATOM 590 C5' DT F 1 0.372 13.647 5.627 1.00 0.00 C ATOM 591 C4' DT F 1 0.257 13.186 4.163 1.00 0.00 C ATOM 592 O4' DT F 1 1.242 13.853 3.333 1.00 0.00 O ATOM 593 C3' DT F 1 0.484 11.683 3.971 1.00 0.00 C ATOM 594 O3' DT F 1 -0.739 10.934 3.996 1.00 0.00 O ATOM 595 C2' DT F 1 1.053 11.632 2.572 1.00 0.00 C ATOM 596 C1' DT F 1 1.914 12.896 2.469 1.00 0.00 C ATOM 597 N1 DT F 1 3.369 12.738 2.801 1.00 0.00 N ATOM 598 C2 DT F 1 4.152 11.831 2.093 1.00 0.00 C ATOM 599 O2 DT F 1 3.710 11.159 1.164 1.00 0.00 O ATOM 600 N3 DT F 1 5.470 11.687 2.372 1.00 0.00 N ATOM 601 C4 DT F 1 6.141 12.425 3.274 1.00 0.00 C ATOM 602 O4 DT F 1 7.342 12.226 3.419 1.00 0.00 O ATOM 603 C5 DT F 1 5.356 13.520 4.053 1.00 0.00 C ATOM 604 C7 DT F 1 6.059 14.469 5.002 1.00 0.00 C ATOM 605 C6 DT F 1 4.019 13.613 3.820 1.00 0.00 C ATOM 0 H5' DT F 1 1.317 13.305 6.050 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.377 14.736 5.674 1.00 0.00 H new ATOM 0 H4' DT F 1 -0.764 13.437 3.876 1.00 0.00 H new ATOM 0 H3' DT F 1 1.109 11.257 4.756 1.00 0.00 H new ATOM 0 H2' DT F 1 1.647 10.732 2.417 1.00 0.00 H new ATOM 0 H2'' DT F 1 0.263 11.626 1.821 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.635 13.430 7.323 1.00 0.00 H new ATOM 0 H1' DT F 1 1.978 13.216 1.429 1.00 0.00 H new ATOM 0 H3 DT F 1 5.988 10.971 1.864 1.00 0.00 H new ATOM 0 H71 DT F 1 6.928 13.974 5.434 1.00 0.00 H new ATOM 0 H72 DT F 1 6.381 15.356 4.457 1.00 0.00 H new ATOM 0 H73 DT F 1 5.374 14.761 5.798 1.00 0.00 H new ATOM 0 H6 DT F 1 3.425 14.324 4.375 1.00 0.00 H new ATOM 619 P DG F 2 -0.837 9.466 4.681 1.00 0.00 P ATOM 620 OP1 DG F 2 -1.840 9.592 5.822 1.00 0.00 O ATOM 621 OP2 DG F 2 0.539 9.055 5.181 1.00 0.00 O ATOM 622 O5' DG F 2 -1.364 8.389 3.587 1.00 0.00 O ATOM 623 C5' DG F 2 -1.104 8.465 2.169 1.00 0.00 C ATOM 624 C4' DG F 2 -0.346 7.257 1.557 1.00 0.00 C ATOM 625 O4' DG F 2 0.933 7.661 1.011 1.00 0.00 O ATOM 626 C3' DG F 2 -0.124 6.000 2.417 1.00 0.00 C ATOM 627 O3' DG F 2 -1.228 5.092 2.182 1.00 0.00 O ATOM 628 C2' DG F 2 1.199 5.453 1.880 1.00 0.00 C ATOM 629 C1' DG F 2 1.909 6.615 1.190 1.00 0.00 C ATOM 630 N9 DG F 2 3.084 7.110 1.958 1.00 0.00 N ATOM 631 C8 DG F 2 3.142 8.070 2.960 1.00 0.00 C ATOM 632 N7 DG F 2 4.335 8.437 3.526 1.00 0.00 N ATOM 633 C5 DG F 2 5.142 7.552 2.847 1.00 0.00 C ATOM 634 C6 DG F 2 6.686 7.448 2.914 1.00 0.00 C ATOM 635 O6 DG F 2 7.380 8.164 3.620 1.00 0.00 O ATOM 636 N1 DG F 2 7.255 6.545 2.085 1.00 0.00 N ATOM 637 C2 DG F 2 6.484 5.742 1.169 1.00 0.00 C ATOM 638 N2 DG F 2 7.137 4.865 0.357 1.00 0.00 N ATOM 639 N3 DG F 2 5.203 5.859 1.057 1.00 0.00 N ATOM 640 C4 DG F 2 4.431 6.746 1.902 1.00 0.00 C ATOM 0 H5' DG F 2 -0.528 9.369 1.972 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.056 8.574 1.649 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.058 6.939 0.796 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.083 6.168 3.493 1.00 0.00 H new ATOM 0 H2' DG F 2 1.809 5.053 2.690 1.00 0.00 H new ATOM 0 H2'' DG F 2 1.024 4.636 1.180 1.00 0.00 H new ATOM 0 H1' DG F 2 2.309 6.278 0.233 1.00 0.00 H new ATOM 0 H8 DG F 2 2.229 8.536 3.300 1.00 0.00 H new ATOM 0 H1 DG F 2 8.268 6.427 2.108 1.00 0.00 H new ATOM 0 H21 DG F 2 6.610 4.287 -0.298 1.00 0.00 H new ATOM 0 H22 DG F 2 8.153 4.786 0.404 1.00 0.00 H new ATOM 652 P DG F 3 -1.248 3.529 2.602 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.704 3.058 2.606 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.571 3.312 3.941 1.00 0.00 O ATOM 655 O5' DG F 3 -0.494 2.717 1.409 1.00 0.00 O ATOM 656 C5' DG F 3 -0.299 1.281 1.412 1.00 0.00 C ATOM 657 C4' DG F 3 1.003 0.800 2.104 1.00 0.00 C ATOM 658 O4' DG F 3 2.047 1.800 2.166 1.00 0.00 O ATOM 659 C3' DG F 3 0.790 0.304 3.543 1.00 0.00 C ATOM 660 O3' DG F 3 0.526 -1.121 3.592 1.00 0.00 O ATOM 661 C2' DG F 3 2.030 0.790 4.292 1.00 0.00 C ATOM 662 C1' DG F 3 2.953 1.367 3.201 1.00 0.00 C ATOM 663 N9 DG F 3 3.811 2.496 3.691 1.00 0.00 N ATOM 664 C8 DG F 3 3.497 3.529 4.572 1.00 0.00 C ATOM 665 N7 DG F 3 4.466 4.291 5.172 1.00 0.00 N ATOM 666 C5 DG F 3 5.552 3.683 4.583 1.00 0.00 C ATOM 667 C6 DG F 3 7.046 4.008 4.824 1.00 0.00 C ATOM 668 O6 DG F 3 7.426 4.860 5.616 1.00 0.00 O ATOM 669 N1 DG F 3 7.933 3.301 4.082 1.00 0.00 N ATOM 670 C2 DG F 3 7.516 2.305 3.117 1.00 0.00 C ATOM 671 N2 DG F 3 8.465 1.667 2.366 1.00 0.00 N ATOM 672 N3 DG F 3 6.279 2.008 2.930 1.00 0.00 N ATOM 673 C4 DG F 3 5.201 2.648 3.654 1.00 0.00 C ATOM 0 H5' DG F 3 -0.297 0.927 0.381 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.150 0.814 1.908 1.00 0.00 H new ATOM 0 H4' DG F 3 1.314 -0.022 1.459 1.00 0.00 H new ATOM 0 H3' DG F 3 -0.104 0.702 4.023 1.00 0.00 H new ATOM 0 H2' DG F 3 1.772 1.547 5.032 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.514 -0.027 4.827 1.00 0.00 H new ATOM 0 H1' DG F 3 3.671 0.624 2.854 1.00 0.00 H new ATOM 0 H8 DG F 3 2.459 3.736 4.789 1.00 0.00 H new ATOM 0 H1 DG F 3 8.930 3.477 4.208 1.00 0.00 H new ATOM 0 H21 DG F 3 8.186 0.963 1.682 1.00 0.00 H new ATOM 0 H22 DG F 3 9.451 1.895 2.490 1.00 0.00 H new ATOM 685 P DG F 4 1.595 -2.337 3.512 1.00 0.00 P ATOM 686 OP1 DG F 4 0.805 -3.625 3.247 1.00 0.00 O ATOM 687 OP2 DG F 4 2.369 -2.435 4.823 1.00 0.00 O ATOM 688 O5' DG F 4 2.606 -2.101 2.264 1.00 0.00 O ATOM 689 C5' DG F 4 3.430 -3.139 1.680 1.00 0.00 C ATOM 690 C4' DG F 4 4.814 -3.315 2.345 1.00 0.00 C ATOM 691 O4' DG F 4 5.393 -2.059 2.755 1.00 0.00 O ATOM 692 C3' DG F 4 4.825 -4.251 3.563 1.00 0.00 C ATOM 693 O3' DG F 4 5.158 -5.598 3.161 1.00 0.00 O ATOM 694 C2' DG F 4 5.886 -3.628 4.465 1.00 0.00 C ATOM 695 C1' DG F 4 6.365 -2.346 3.769 1.00 0.00 C ATOM 696 N9 DG F 4 6.490 -1.212 4.728 1.00 0.00 N ATOM 697 C8 DG F 4 5.501 -0.531 5.424 1.00 0.00 C ATOM 698 N7 DG F 4 5.805 0.406 6.387 1.00 0.00 N ATOM 699 C5 DG F 4 7.179 0.299 6.292 1.00 0.00 C ATOM 700 C6 DG F 4 8.244 1.078 7.104 1.00 0.00 C ATOM 701 O6 DG F 4 7.959 1.887 7.977 1.00 0.00 O ATOM 702 N1 DG F 4 9.537 0.813 6.790 1.00 0.00 N ATOM 703 C2 DG F 4 9.903 -0.134 5.756 1.00 0.00 C ATOM 704 N2 DG F 4 11.213 -0.327 5.436 1.00 0.00 N ATOM 705 N3 DG F 4 9.031 -0.808 5.099 1.00 0.00 N ATOM 706 C4 DG F 4 7.613 -0.644 5.303 1.00 0.00 C ATOM 0 H5' DG F 4 3.576 -2.917 0.623 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.892 -4.085 1.736 1.00 0.00 H new ATOM 0 H4' DG F 4 5.409 -3.773 1.555 1.00 0.00 H new ATOM 0 H3' DG F 4 3.862 -4.340 4.066 1.00 0.00 H new ATOM 0 H2' DG F 4 5.473 -3.403 5.448 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.716 -4.318 4.618 1.00 0.00 H new ATOM 0 H1' DG F 4 7.358 -2.484 3.342 1.00 0.00 H new ATOM 0 H8 DG F 4 4.465 -0.741 5.205 1.00 0.00 H new ATOM 0 H1 DG F 4 10.277 1.297 7.299 1.00 0.00 H new ATOM 0 H21 DG F 4 11.467 -0.994 4.708 1.00 0.00 H new ATOM 0 H22 DG F 4 11.940 0.196 5.925 1.00 0.00 H new ATOM 718 P DG F 5 5.114 -6.889 4.146 1.00 0.00 P ATOM 719 OP1 DG F 5 4.468 -8.071 3.406 1.00 0.00 O ATOM 720 OP2 DG F 5 4.336 -6.622 5.432 1.00 0.00 O ATOM 721 O5' DG F 5 6.613 -7.308 4.557 1.00 0.00 O ATOM 722 C5' DG F 5 7.778 -7.182 3.709 1.00 0.00 C ATOM 723 C4' DG F 5 9.033 -6.910 4.568 1.00 0.00 C ATOM 724 O4' DG F 5 8.986 -5.538 5.060 1.00 0.00 O ATOM 725 C3' DG F 5 9.161 -7.844 5.802 1.00 0.00 C ATOM 726 O3' DG F 5 10.530 -8.204 6.101 1.00 0.00 O ATOM 727 C2' DG F 5 8.692 -6.911 6.917 1.00 0.00 C ATOM 728 C1' DG F 5 9.274 -5.577 6.460 1.00 0.00 C ATOM 729 N9 DG F 5 8.772 -4.396 7.220 1.00 0.00 N ATOM 730 C8 DG F 5 7.481 -3.984 7.526 1.00 0.00 C ATOM 731 N7 DG F 5 7.245 -2.968 8.422 1.00 0.00 N ATOM 732 C5 DG F 5 8.561 -2.678 8.713 1.00 0.00 C ATOM 733 C6 DG F 5 9.098 -1.684 9.777 1.00 0.00 C ATOM 734 O6 DG F 5 8.374 -1.006 10.495 1.00 0.00 O ATOM 735 N1 DG F 5 10.447 -1.623 9.904 1.00 0.00 N ATOM 736 C2 DG F 5 11.333 -2.447 9.113 1.00 0.00 C ATOM 737 N2 DG F 5 12.685 -2.332 9.266 1.00 0.00 N ATOM 738 N3 DG F 5 10.902 -3.311 8.266 1.00 0.00 N ATOM 739 C4 DG F 5 9.493 -3.496 7.998 1.00 0.00 C ATOM 0 H5' DG F 5 7.633 -6.370 2.996 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.916 -8.094 3.129 1.00 0.00 H new ATOM 0 H4' DG F 5 9.890 -7.094 3.920 1.00 0.00 H new ATOM 0 H3' DG F 5 8.620 -8.780 5.664 1.00 0.00 H new ATOM 0 H2' DG F 5 7.605 -6.879 6.996 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.074 -7.213 7.892 1.00 0.00 H new ATOM 0 H1' DG F 5 10.344 -5.513 6.658 1.00 0.00 H new ATOM 0 H8 DG F 5 6.644 -4.473 7.049 1.00 0.00 H new ATOM 0 H1 DG F 5 10.850 -0.974 10.580 1.00 0.00 H new ATOM 0 H21 DG F 5 13.312 -2.912 8.709 1.00 0.00 H new ATOM 0 H22 DG F 5 13.067 -1.666 9.937 1.00 0.00 H new ATOM 751 P DT F 6 11.287 -9.542 5.608 1.00 0.00 P ATOM 752 OP1 DT F 6 11.913 -9.361 4.226 1.00 0.00 O ATOM 753 OP2 DT F 6 10.324 -10.736 5.547 1.00 0.00 O ATOM 754 O5' DT F 6 12.458 -9.915 6.676 1.00 0.00 O ATOM 755 C5' DT F 6 12.172 -10.560 7.937 1.00 0.00 C ATOM 756 C4' DT F 6 12.563 -9.679 9.137 1.00 0.00 C ATOM 757 O4' DT F 6 11.731 -8.512 9.233 1.00 0.00 O ATOM 758 C3' DT F 6 12.404 -10.370 10.509 1.00 0.00 C ATOM 759 O3' DT F 6 13.650 -10.856 10.993 1.00 0.00 O ATOM 760 C2' DT F 6 11.877 -9.269 11.437 1.00 0.00 C ATOM 761 C1' DT F 6 11.869 -8.006 10.568 1.00 0.00 C ATOM 762 N1 DT F 6 10.794 -7.029 10.903 1.00 0.00 N ATOM 763 C2 DT F 6 11.115 -5.798 11.457 1.00 0.00 C ATOM 764 O2 DT F 6 12.269 -5.482 11.727 1.00 0.00 O ATOM 765 N3 DT F 6 10.144 -4.897 11.749 1.00 0.00 N ATOM 766 C4 DT F 6 8.826 -5.104 11.543 1.00 0.00 C ATOM 767 O4 DT F 6 8.028 -4.249 11.916 1.00 0.00 O ATOM 768 C5 DT F 6 8.397 -6.456 10.890 1.00 0.00 C ATOM 769 C7 DT F 6 6.945 -6.745 10.565 1.00 0.00 C ATOM 770 C6 DT F 6 9.378 -7.345 10.587 1.00 0.00 C ATOM 0 H5' DT F 6 12.711 -11.506 7.991 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.109 -10.795 7.991 1.00 0.00 H new ATOM 0 H4' DT F 6 13.610 -9.447 8.941 1.00 0.00 H new ATOM 0 H3' DT F 6 11.739 -11.232 10.449 1.00 0.00 H new ATOM 0 H2' DT F 6 10.878 -9.504 11.805 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.517 -9.146 12.310 1.00 0.00 H new ATOM 0 HO3' DT F 6 13.517 -11.286 11.863 1.00 0.00 H new ATOM 0 H1' DT F 6 12.777 -7.423 10.724 1.00 0.00 H new ATOM 0 H3 DT F 6 10.429 -4.004 12.151 1.00 0.00 H new ATOM 0 H71 DT F 6 6.303 -6.222 11.273 1.00 0.00 H new ATOM 0 H72 DT F 6 6.724 -6.404 9.554 1.00 0.00 H new ATOM 0 H73 DT F 6 6.763 -7.817 10.634 1.00 0.00 H new ATOM 0 H6 DT F 6 9.128 -8.284 10.115 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.354 14.260 6.947 1.00 0.00 C HETATM 786 O1 DMY A 7 15.668 15.413 6.635 1.00 0.00 O HETATM 787 N1 DMY A 7 14.570 13.897 8.079 1.00 0.00 N HETATM 788 C2 DMY A 7 14.009 14.751 9.047 1.00 0.00 C HETATM 789 C3 DMY A 7 13.157 14.331 10.046 1.00 0.00 C HETATM 790 C4 DMY A 7 13.078 15.366 10.985 1.00 0.00 C HETATM 791 N2 DMY A 7 13.825 16.482 10.545 1.00 0.00 N HETATM 792 C5 DMY A 7 14.384 16.057 9.341 1.00 0.00 C HETATM 793 C6 DMY A 7 13.909 17.831 11.157 1.00 0.00 C HETATM 794 C7 DMY A 7 12.376 15.314 12.363 1.00 0.00 C HETATM 795 O2 DMY A 7 12.857 16.011 13.272 1.00 0.00 O HETATM 796 N3 DMY A 7 11.183 14.526 12.521 1.00 0.00 N HETATM 797 C8 DMY A 7 10.271 14.640 13.598 1.00 0.00 C HETATM 798 C9 DMY A 7 9.274 13.743 13.928 1.00 0.00 C HETATM 799 C10 DMY A 7 8.481 14.350 14.930 1.00 0.00 C HETATM 800 N4 DMY A 7 8.946 15.663 15.183 1.00 0.00 N HETATM 801 C11 DMY A 7 10.048 15.789 14.343 1.00 0.00 C HETATM 802 C12 DMY A 7 8.287 16.760 15.935 1.00 0.00 C HETATM 803 C13 DMY A 7 7.234 13.748 15.631 1.00 0.00 C HETATM 804 O3 DMY A 7 6.718 14.378 16.567 1.00 0.00 O HETATM 805 N5 DMY A 7 6.740 12.480 15.172 1.00 0.00 N HETATM 806 C14 DMY A 7 5.544 11.847 15.577 1.00 0.00 C HETATM 807 C15 DMY A 7 5.185 10.563 15.250 1.00 0.00 C HETATM 808 C16 DMY A 7 3.864 10.361 15.688 1.00 0.00 C HETATM 809 N6 DMY A 7 3.368 11.556 16.293 1.00 0.00 N HETATM 810 C17 DMY A 7 4.450 12.435 16.200 1.00 0.00 C HETATM 811 C18 DMY A 7 2.012 11.913 16.784 1.00 0.00 C HETATM 812 C19 DMY A 7 3.094 9.034 15.445 1.00 0.00 C HETATM 813 O4 DMY A 7 3.631 8.080 14.879 1.00 0.00 O HETATM 814 N7 DMY A 7 1.830 8.945 15.871 1.00 0.00 N HETATM 815 C20 DMY A 7 0.954 7.818 15.508 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.270 7.771 16.441 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.340 6.780 15.981 1.00 0.00 C HETATM 818 N8 DMY A 7 -1.227 5.488 16.239 1.00 0.00 N HETATM 819 N9 DMY A 7 -2.427 7.219 15.379 1.00 0.00 N HETATM 0 HN92 DMY A 7 -3.142 6.559 15.072 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -2.554 8.219 15.220 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.057 7.502 17.446 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.709 8.767 16.504 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.627 7.921 14.473 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.508 6.882 15.576 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.301 11.859 15.960 1.00 0.00 H new HETATM 0 H182 DMY A 7 1.714 11.216 17.567 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.026 12.926 17.186 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.336 17.005 15.462 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.110 16.442 16.962 1.00 0.00 H new HETATM 0 H121 DMY A 7 8.930 17.640 15.933 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -1.470 4.952 15.406 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.459 9.684 16.469 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.310 11.987 14.485 1.00 0.00 H new HETATM 0 HN3 DMY A 7 10.978 13.832 11.802 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.394 12.900 8.203 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.126 12.753 13.497 1.00 0.00 H new HETATM 0 H63 DMY A 7 12.916 18.281 11.184 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.297 17.746 12.172 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.576 18.458 10.565 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.031 16.669 8.712 1.00 0.00 H new HETATM 0 H3 DMY A 7 12.641 13.372 10.095 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.437 13.460 16.572 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.812 9.831 14.742 1.00 0.00 H new HETATM 0 H11 DMY A 7 10.664 16.686 14.278 1.00 0.00 H new HETATM 0 H1 DMY A 7 15.706 13.454 6.303 1.00 0.00 H new HETATM 848 C1 DMY E 7 1.952 4.883 17.890 1.00 0.00 C HETATM 849 O1 DMY E 7 0.874 5.071 18.465 1.00 0.00 O HETATM 850 N1 DMY E 7 3.051 5.779 17.890 1.00 0.00 N HETATM 851 C2 DMY E 7 3.164 7.017 18.544 1.00 0.00 C HETATM 852 C3 DMY E 7 4.240 7.845 18.400 1.00 0.00 C HETATM 853 C4 DMY E 7 3.992 9.000 19.154 1.00 0.00 C HETATM 854 N2 DMY E 7 2.726 8.905 19.785 1.00 0.00 N HETATM 855 C5 DMY E 7 2.261 7.645 19.394 1.00 0.00 C HETATM 856 C6 DMY E 7 2.038 9.875 20.674 1.00 0.00 C HETATM 857 C7 DMY E 7 4.958 10.198 19.308 1.00 0.00 C HETATM 858 O2 DMY E 7 4.590 11.183 19.963 1.00 0.00 O HETATM 859 N3 DMY E 7 6.254 10.106 18.681 1.00 0.00 N HETATM 860 C8 DMY E 7 7.291 11.060 18.726 1.00 0.00 C HETATM 861 C9 DMY E 7 8.398 11.080 17.902 1.00 0.00 C HETATM 862 C10 DMY E 7 9.169 12.201 18.273 1.00 0.00 C HETATM 863 N4 DMY E 7 8.567 12.855 19.379 1.00 0.00 N HETATM 864 C11 DMY E 7 7.409 12.120 19.609 1.00 0.00 C HETATM 865 C12 DMY E 7 9.020 14.041 20.145 1.00 0.00 C HETATM 866 C13 DMY E 7 10.464 12.709 17.590 1.00 0.00 C HETATM 867 O3 DMY E 7 11.014 13.720 18.051 1.00 0.00 O HETATM 868 N5 DMY E 7 10.981 11.997 16.453 1.00 0.00 N HETATM 869 C14 DMY E 7 12.176 12.303 15.760 1.00 0.00 C HETATM 870 C15 DMY E 7 12.494 11.898 14.485 1.00 0.00 C HETATM 871 C16 DMY E 7 13.752 12.441 14.171 1.00 0.00 C HETATM 872 N6 DMY E 7 14.256 13.177 15.286 1.00 0.00 N HETATM 873 C17 DMY E 7 13.251 13.035 16.239 1.00 0.00 C HETATM 874 C18 DMY E 7 15.469 14.014 15.438 1.00 0.00 C HETATM 875 C19 DMY E 7 14.395 12.310 12.767 1.00 0.00 C HETATM 876 O4 DMY E 7 13.800 11.786 11.829 1.00 0.00 O HETATM 877 N7 DMY E 7 15.617 12.827 12.589 1.00 0.00 N HETATM 878 C20 DMY E 7 16.301 12.813 11.288 1.00 0.00 C HETATM 879 C21 DMY E 7 17.810 13.044 11.479 1.00 0.00 C HETATM 880 C22 DMY E 7 18.587 13.109 10.165 1.00 0.00 C HETATM 881 N8 DMY E 7 18.457 14.155 9.365 1.00 0.00 N HETATM 882 N9 DMY E 7 19.473 12.180 9.857 1.00 0.00 N HETATM 0 HN92 DMY E 7 19.985 12.235 8.976 1.00 0.00 H new HETATM 0 HN91 DMY E 7 19.646 11.407 10.500 1.00 0.00 H new HETATM 0 H212 DMY E 7 17.961 13.974 12.028 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.218 12.241 12.094 1.00 0.00 H new HETATM 0 H202 DMY E 7 16.132 11.858 10.790 1.00 0.00 H new HETATM 0 H201 DMY E 7 15.886 13.587 10.642 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.355 13.408 15.251 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.435 14.837 14.724 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.510 14.414 16.451 1.00 0.00 H new HETATM 0 H123 DMY E 7 9.994 13.837 20.590 1.00 0.00 H new HETATM 0 H122 DMY E 7 9.100 14.898 19.476 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.300 14.262 20.933 1.00 0.00 H new HETATM 0 HN8 DMY E 7 19.045 14.028 8.541 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.092 13.247 13.388 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.439 11.201 16.116 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.441 9.258 18.146 1.00 0.00 H new HETATM 0 HN1 DMY E 7 3.863 5.487 17.346 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.632 10.365 17.114 1.00 0.00 H new HETATM 0 H63 DMY E 7 2.650 10.055 21.558 1.00 0.00 H new HETATM 0 H62 DMY E 7 1.886 10.813 20.140 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.073 9.470 20.977 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.313 7.212 19.714 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.131 7.644 17.806 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.304 13.451 17.245 1.00 0.00 H new HETATM 0 H15 DMY E 7 11.882 11.271 13.836 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.683 12.350 20.389 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.067 3.951 17.337 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.337 7.529 -2.314 1.00 0.00 C HETATM 912 O1 DMY B 7 3.098 7.896 -3.468 1.00 0.00 O HETATM 913 N1 DMY B 7 3.945 6.291 -1.957 1.00 0.00 N HETATM 914 C2 DMY B 7 4.443 5.287 -2.808 1.00 0.00 C HETATM 915 C3 DMY B 7 5.128 4.175 -2.374 1.00 0.00 C HETATM 916 C4 DMY B 7 5.415 3.394 -3.494 1.00 0.00 C HETATM 917 N2 DMY B 7 4.908 4.019 -4.663 1.00 0.00 N HETATM 918 C5 DMY B 7 4.332 5.198 -4.190 1.00 0.00 C HETATM 919 C6 DMY B 7 5.055 3.598 -6.083 1.00 0.00 C HETATM 920 C7 DMY B 7 6.139 2.023 -3.516 1.00 0.00 C HETATM 921 O2 DMY B 7 5.843 1.276 -4.457 1.00 0.00 O HETATM 922 N3 DMY B 7 7.120 1.682 -2.498 1.00 0.00 N HETATM 923 C8 DMY B 7 8.001 0.558 -2.548 1.00 0.00 C HETATM 924 C9 DMY B 7 8.925 0.168 -1.577 1.00 0.00 C HETATM 925 C10 DMY B 7 9.673 -0.908 -2.123 1.00 0.00 C HETATM 926 N4 DMY B 7 9.208 -1.203 -3.427 1.00 0.00 N HETATM 927 C11 DMY B 7 8.207 -0.273 -3.645 1.00 0.00 C HETATM 928 C12 DMY B 7 9.660 -2.239 -4.391 1.00 0.00 C HETATM 929 C13 DMY B 7 10.896 -1.641 -1.506 1.00 0.00 C HETATM 930 O3 DMY B 7 11.570 -2.349 -2.261 1.00 0.00 O HETATM 931 N5 DMY B 7 11.184 -1.512 -0.103 1.00 0.00 N HETATM 932 C14 DMY B 7 12.285 -2.109 0.574 1.00 0.00 C HETATM 933 C15 DMY B 7 12.522 -2.041 1.930 1.00 0.00 C HETATM 934 C16 DMY B 7 13.758 -2.690 2.177 1.00 0.00 C HETATM 935 N6 DMY B 7 14.312 -3.152 0.959 1.00 0.00 N HETATM 936 C17 DMY B 7 13.359 -2.804 0.010 1.00 0.00 C HETATM 937 C18 DMY B 7 15.661 -3.711 0.669 1.00 0.00 C HETATM 938 C19 DMY B 7 14.491 -2.819 3.536 1.00 0.00 C HETATM 939 O4 DMY B 7 15.607 -3.342 3.599 1.00 0.00 O HETATM 940 N7 DMY B 7 13.879 -2.382 4.644 1.00 0.00 N HETATM 941 C20 DMY B 7 14.622 -2.113 5.894 1.00 0.00 C HETATM 942 C21 DMY B 7 15.094 -3.372 6.651 1.00 0.00 C HETATM 943 C22 DMY B 7 16.293 -3.164 7.577 1.00 0.00 C HETATM 944 N8 DMY B 7 16.132 -2.869 8.852 1.00 0.00 N HETATM 945 N9 DMY B 7 17.521 -3.331 7.134 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.313 -3.189 7.761 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.681 -3.602 6.164 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.262 -3.755 7.241 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.348 -4.141 5.922 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.492 -1.501 5.658 1.00 0.00 H new HETATM 0 H201 DMY B 7 13.988 -1.524 6.557 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.422 -2.972 0.919 1.00 0.00 H new HETATM 0 H182 DMY B 7 15.818 -4.610 1.265 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.731 -3.961 -0.390 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.712 -2.080 -4.629 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.533 -3.227 -3.949 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.067 -2.171 -5.303 1.00 0.00 H new HETATM 0 HN8 DMY B 7 16.989 -2.452 9.216 1.00 0.00 H new HETATM 0 HN7 DMY B 7 12.871 -2.230 4.625 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.545 -0.945 0.454 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.184 2.293 -1.684 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.030 6.109 -0.957 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.049 0.607 -0.587 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.112 3.570 -6.347 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.622 2.607 -6.215 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.539 4.309 -6.728 1.00 0.00 H new HETATM 0 H5 DMY B 7 3.858 5.950 -4.821 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.397 3.946 -1.343 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.439 -3.045 -1.050 1.00 0.00 H new HETATM 0 H15 DMY B 7 11.878 -1.574 2.675 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.642 -0.199 -4.574 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.061 8.205 -1.505 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.734 -6.322 8.069 1.00 0.00 C HETATM 975 O1 DMY F 7 14.900 -6.725 8.047 1.00 0.00 O HETATM 976 N1 DMY F 7 12.919 -6.079 6.938 1.00 0.00 N HETATM 977 C2 DMY F 7 13.251 -6.205 5.582 1.00 0.00 C HETATM 978 C3 DMY F 7 12.479 -5.720 4.565 1.00 0.00 C HETATM 979 C4 DMY F 7 13.062 -6.124 3.358 1.00 0.00 C HETATM 980 N2 DMY F 7 14.288 -6.789 3.618 1.00 0.00 N HETATM 981 C5 DMY F 7 14.325 -6.872 5.013 1.00 0.00 C HETATM 982 C6 DMY F 7 15.361 -7.227 2.692 1.00 0.00 C HETATM 983 C7 DMY F 7 12.400 -6.004 1.964 1.00 0.00 C HETATM 984 O2 DMY F 7 12.976 -6.460 0.967 1.00 0.00 O HETATM 985 N3 DMY F 7 11.107 -5.370 1.900 1.00 0.00 N HETATM 986 C8 DMY F 7 10.295 -5.215 0.762 1.00 0.00 C HETATM 987 C9 DMY F 7 9.255 -4.324 0.643 1.00 0.00 C HETATM 988 C10 DMY F 7 8.681 -4.524 -0.628 1.00 0.00 C HETATM 989 N4 DMY F 7 9.343 -5.588 -1.294 1.00 0.00 N HETATM 990 C11 DMY F 7 10.337 -5.971 -0.397 1.00 0.00 C HETATM 991 C12 DMY F 7 9.042 -6.232 -2.596 1.00 0.00 C HETATM 992 C13 DMY F 7 7.512 -3.719 -1.248 1.00 0.00 C HETATM 993 O3 DMY F 7 7.104 -4.035 -2.374 1.00 0.00 O HETATM 994 N5 DMY F 7 6.955 -2.631 -0.492 1.00 0.00 N HETATM 995 C14 DMY F 7 5.884 -1.795 -0.877 1.00 0.00 C HETATM 996 C15 DMY F 7 5.547 -0.609 -0.271 1.00 0.00 C HETATM 997 C16 DMY F 7 4.441 -0.083 -0.957 1.00 0.00 C HETATM 998 N6 DMY F 7 4.042 -0.978 -1.996 1.00 0.00 N HETATM 999 C17 DMY F 7 4.974 -2.010 -1.902 1.00 0.00 C HETATM 1000 C18 DMY F 7 2.938 -0.903 -2.982 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.851 1.314 -0.640 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.393 2.081 0.153 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.759 1.692 -1.312 1.00 0.00 N HETATM 1004 C20 DMY F 7 2.042 2.940 -1.015 1.00 0.00 C HETATM 1005 C21 DMY F 7 1.057 3.244 -2.156 1.00 0.00 C HETATM 1006 C22 DMY F 7 0.187 4.473 -1.902 1.00 0.00 C HETATM 1007 N8 DMY F 7 -0.834 4.417 -1.065 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.380 5.577 -2.603 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.202 6.397 -2.433 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.110 5.608 -3.314 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.618 3.391 -3.079 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.412 2.378 -2.309 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.505 2.849 -0.071 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.750 3.761 -0.901 1.00 0.00 H new HETATM 0 H183 DMY F 7 1.984 -0.855 -2.457 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.059 -0.011 -3.597 1.00 0.00 H new HETATM 0 H181 DMY F 7 2.958 -1.788 -3.618 1.00 0.00 H new HETATM 0 H123 DMY F 7 8.040 -6.660 -2.567 1.00 0.00 H new HETATM 0 H122 DMY F 7 9.096 -5.488 -3.391 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.769 -7.021 -2.788 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.292 5.327 -1.026 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.410 1.092 -2.059 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.377 -2.443 0.417 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.741 -4.993 2.774 1.00 0.00 H new HETATM 0 HN1 DMY F 7 11.966 -5.772 7.135 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.935 -3.599 1.391 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.952 -7.933 1.969 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.763 -6.361 2.166 1.00 0.00 H new HETATM 0 H61 DMY F 7 16.157 -7.709 3.260 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.097 -7.393 5.579 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.572 -5.125 4.674 1.00 0.00 H new HETATM 0 H17 DMY F 7 4.986 -2.882 -2.556 1.00 0.00 H new HETATM 0 H15 DMY F 7 6.047 -0.159 0.586 1.00 0.00 H new HETATM 0 H11 DMY F 7 11.058 -6.767 -0.584 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.292 -6.136 9.048 1.00 0.00 H new