USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 158 hydrogens (22 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc=-0.00622 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.381 (180deg=-0.381) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -125:sc= 0.622 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.339 (180deg=-0.339) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -120:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.492 -0.227 -9.763 1.00 0.00 O ATOM 2 C5' DC A 1 -8.655 -1.272 -9.322 1.00 0.00 C ATOM 3 C4' DC A 1 -9.436 -2.193 -8.390 1.00 0.00 C ATOM 4 O4' DC A 1 -8.579 -3.218 -7.923 1.00 0.00 O ATOM 5 C3' DC A 1 -9.923 -1.408 -7.175 1.00 0.00 C ATOM 6 O3' DC A 1 -11.115 -2.021 -6.726 1.00 0.00 O ATOM 7 C2' DC A 1 -8.776 -1.676 -6.215 1.00 0.00 C ATOM 8 C1' DC A 1 -8.560 -3.158 -6.513 1.00 0.00 C ATOM 9 N1 DC A 1 -7.266 -3.656 -6.014 1.00 0.00 N ATOM 10 C2 DC A 1 -7.133 -5.011 -5.733 1.00 0.00 C ATOM 11 O2 DC A 1 -8.076 -5.788 -5.869 1.00 0.00 O ATOM 12 N3 DC A 1 -5.941 -5.471 -5.253 1.00 0.00 N ATOM 13 C4 DC A 1 -4.912 -4.632 -5.088 1.00 0.00 C ATOM 14 N4 DC A 1 -3.825 -5.075 -4.467 1.00 0.00 N ATOM 15 C5 DC A 1 -5.025 -3.243 -5.392 1.00 0.00 C ATOM 16 C6 DC A 1 -6.218 -2.801 -5.848 1.00 0.00 C ATOM 0 H5' DC A 1 -7.788 -0.863 -8.803 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.279 -1.836 -10.176 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.282 -2.610 -8.936 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.140 -0.350 -7.319 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.896 -1.070 -6.430 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.044 -1.490 -5.175 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.989 0.365 -10.360 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.316 -3.775 -6.027 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.028 -4.454 -4.329 1.00 0.00 H new ATOM 0 H42 DC A 1 -3.788 -6.036 -4.128 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.190 -2.571 -5.263 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.343 -1.755 -6.084 1.00 0.00 H new ATOM 29 P DG A 2 -12.193 -1.254 -5.806 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.025 -2.283 -5.143 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.838 -0.212 -6.636 1.00 0.00 O ATOM 32 O5' DG A 2 -11.326 -0.520 -4.677 1.00 0.00 O ATOM 33 C5' DG A 2 -10.911 0.816 -4.854 1.00 0.00 C ATOM 34 C4' DG A 2 -10.041 1.217 -3.668 1.00 0.00 C ATOM 35 O4' DG A 2 -8.888 0.407 -3.632 1.00 0.00 O ATOM 36 C3' DG A 2 -9.562 2.668 -3.730 1.00 0.00 C ATOM 37 O3' DG A 2 -10.111 3.335 -2.614 1.00 0.00 O ATOM 38 C2' DG A 2 -8.045 2.537 -3.631 1.00 0.00 C ATOM 39 C1' DG A 2 -7.888 1.165 -2.998 1.00 0.00 C ATOM 40 N9 DG A 2 -6.587 0.554 -3.297 1.00 0.00 N ATOM 41 C8 DG A 2 -5.946 0.470 -4.500 1.00 0.00 C ATOM 42 N7 DG A 2 -4.904 -0.314 -4.501 1.00 0.00 N ATOM 43 C5 DG A 2 -4.856 -0.795 -3.193 1.00 0.00 C ATOM 44 C6 DG A 2 -3.993 -1.751 -2.578 1.00 0.00 C ATOM 45 O6 DG A 2 -3.100 -2.427 -3.096 1.00 0.00 O ATOM 46 N1 DG A 2 -4.255 -1.902 -1.225 1.00 0.00 N ATOM 47 C2 DG A 2 -5.317 -1.326 -0.566 1.00 0.00 C ATOM 48 N2 DG A 2 -5.495 -1.583 0.723 1.00 0.00 N ATOM 49 N3 DG A 2 -6.164 -0.477 -1.146 1.00 0.00 N ATOM 50 C4 DG A 2 -5.875 -0.249 -2.450 1.00 0.00 C ATOM 0 H5' DG A 2 -11.777 1.474 -4.928 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.353 0.918 -5.784 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.666 1.093 -2.784 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.852 3.226 -4.620 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.566 2.593 -4.608 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.607 3.323 -3.016 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.961 1.218 -1.912 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.275 1.008 -5.377 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.616 -2.481 -0.680 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.278 -1.163 1.223 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.849 -2.201 1.214 1.00 0.00 H new ATOM 62 P DA A 3 -9.575 4.771 -2.123 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.690 5.487 -1.467 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.833 5.408 -3.234 1.00 0.00 O ATOM 65 O5' DA A 3 -8.524 4.331 -0.990 1.00 0.00 O ATOM 66 C5' DA A 3 -8.997 3.746 0.207 1.00 0.00 C ATOM 67 C4' DA A 3 -7.872 3.609 1.232 1.00 0.00 C ATOM 68 O4' DA A 3 -6.966 2.578 0.878 1.00 0.00 O ATOM 69 C3' DA A 3 -7.110 4.923 1.349 1.00 0.00 C ATOM 70 O3' DA A 3 -7.233 5.380 2.677 1.00 0.00 O ATOM 71 C2' DA A 3 -5.698 4.511 0.956 1.00 0.00 C ATOM 72 C1' DA A 3 -5.646 3.011 1.145 1.00 0.00 C ATOM 73 N9 DA A 3 -4.765 2.492 0.092 1.00 0.00 N ATOM 74 C8 DA A 3 -4.726 2.966 -1.184 1.00 0.00 C ATOM 75 N7 DA A 3 -3.848 2.392 -1.956 1.00 0.00 N ATOM 76 C5 DA A 3 -3.260 1.462 -1.104 1.00 0.00 C ATOM 77 C6 DA A 3 -2.221 0.540 -1.292 1.00 0.00 C ATOM 78 N6 DA A 3 -1.626 0.417 -2.475 1.00 0.00 N ATOM 79 N1 DA A 3 -1.840 -0.243 -0.270 1.00 0.00 N ATOM 80 C2 DA A 3 -2.455 -0.097 0.905 1.00 0.00 C ATOM 81 N3 DA A 3 -3.430 0.753 1.219 1.00 0.00 N ATOM 82 C4 DA A 3 -3.804 1.509 0.153 1.00 0.00 C ATOM 0 H5' DA A 3 -9.421 2.765 -0.006 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.799 4.356 0.622 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.329 3.354 2.188 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.457 5.749 0.729 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.483 4.784 -0.077 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.956 5.011 1.579 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.296 2.695 2.128 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.374 3.758 -1.530 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.871 -0.258 -2.598 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.925 0.997 -3.259 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.121 -0.749 1.699 1.00 0.00 H new ATOM 94 P DT A 4 -6.333 6.582 3.244 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.966 7.117 4.469 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.968 7.484 2.129 1.00 0.00 O ATOM 97 O5' DT A 4 -5.049 5.730 3.664 1.00 0.00 O ATOM 98 C5' DT A 4 -5.203 4.660 4.572 1.00 0.00 C ATOM 99 C4' DT A 4 -3.896 3.889 4.661 1.00 0.00 C ATOM 100 O4' DT A 4 -3.570 3.320 3.406 1.00 0.00 O ATOM 101 C3' DT A 4 -2.778 4.855 5.034 1.00 0.00 C ATOM 102 O3' DT A 4 -2.241 4.485 6.284 1.00 0.00 O ATOM 103 C2' DT A 4 -1.788 4.673 3.899 1.00 0.00 C ATOM 104 C1' DT A 4 -2.163 3.329 3.331 1.00 0.00 C ATOM 105 N1 DT A 4 -1.685 3.314 1.946 1.00 0.00 N ATOM 106 C2 DT A 4 -0.679 2.424 1.615 1.00 0.00 C ATOM 107 O2 DT A 4 -0.194 1.637 2.422 1.00 0.00 O ATOM 108 N3 DT A 4 -0.235 2.484 0.312 1.00 0.00 N ATOM 109 C4 DT A 4 -0.658 3.369 -0.658 1.00 0.00 C ATOM 110 O4 DT A 4 -0.168 3.322 -1.783 1.00 0.00 O ATOM 111 C5 DT A 4 -1.693 4.285 -0.213 1.00 0.00 C ATOM 112 C7 DT A 4 -2.339 5.238 -1.187 1.00 0.00 C ATOM 113 C6 DT A 4 -2.163 4.230 1.053 1.00 0.00 C ATOM 0 H5' DT A 4 -6.006 4.001 4.243 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.484 5.039 5.555 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.007 3.102 5.407 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.085 5.895 5.143 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.878 5.464 3.155 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.758 4.687 4.256 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.744 2.462 3.841 1.00 0.00 H new ATOM 0 H3 DT A 4 0.477 1.807 0.037 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.365 5.436 -0.876 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.779 6.173 -1.207 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.341 4.795 -2.183 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.931 4.923 1.364 1.00 0.00 H new ATOM 126 P DC A 5 -0.967 5.238 6.917 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.179 5.376 8.375 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.650 6.426 6.094 1.00 0.00 O ATOM 129 O5' DC A 5 0.188 4.149 6.680 1.00 0.00 O ATOM 130 C5' DC A 5 0.063 2.867 7.259 1.00 0.00 C ATOM 131 C4' DC A 5 1.388 2.104 7.263 1.00 0.00 C ATOM 132 O4' DC A 5 1.813 1.775 5.954 1.00 0.00 O ATOM 133 C3' DC A 5 2.469 2.966 7.892 1.00 0.00 C ATOM 134 O3' DC A 5 3.381 2.126 8.561 1.00 0.00 O ATOM 135 C2' DC A 5 3.061 3.665 6.674 1.00 0.00 C ATOM 136 C1' DC A 5 2.840 2.661 5.543 1.00 0.00 C ATOM 137 N1 DC A 5 2.431 3.287 4.265 1.00 0.00 N ATOM 138 C2 DC A 5 2.782 2.634 3.094 1.00 0.00 C ATOM 139 O2 DC A 5 3.393 1.568 3.118 1.00 0.00 O ATOM 140 N3 DC A 5 2.526 3.237 1.897 1.00 0.00 N ATOM 141 C4 DC A 5 1.874 4.402 1.858 1.00 0.00 C ATOM 142 N4 DC A 5 1.700 4.972 0.671 1.00 0.00 N ATOM 143 C5 DC A 5 1.370 5.020 3.045 1.00 0.00 C ATOM 144 C6 DC A 5 1.690 4.435 4.223 1.00 0.00 C ATOM 0 H5' DC A 5 -0.683 2.293 6.710 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.301 2.966 8.282 1.00 0.00 H new ATOM 0 H4' DC A 5 1.228 1.186 7.828 1.00 0.00 H new ATOM 0 H3' DC A 5 2.139 3.683 8.643 1.00 0.00 H new ATOM 0 H2' DC A 5 2.561 4.612 6.473 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.119 3.886 6.813 1.00 0.00 H new ATOM 0 H1' DC A 5 3.789 2.157 5.358 1.00 0.00 H new ATOM 0 H41 DC A 5 1.207 5.862 0.600 1.00 0.00 H new ATOM 0 H42 DC A 5 2.059 4.520 -0.170 1.00 0.00 H new ATOM 0 H5 DC A 5 0.762 5.912 3.004 1.00 0.00 H new ATOM 0 H6 DC A 5 1.354 4.883 5.146 1.00 0.00 H new ATOM 156 P DG A 6 4.391 2.730 9.653 1.00 0.00 P ATOM 157 OP1 DG A 6 4.961 1.613 10.437 1.00 0.00 O ATOM 158 OP2 DG A 6 3.716 3.854 10.341 1.00 0.00 O ATOM 159 O5' DG A 6 5.532 3.318 8.704 1.00 0.00 O ATOM 160 C5' DG A 6 6.333 2.431 7.956 1.00 0.00 C ATOM 161 C4' DG A 6 7.177 3.213 6.960 1.00 0.00 C ATOM 162 O4' DG A 6 6.359 3.848 6.005 1.00 0.00 O ATOM 163 C3' DG A 6 7.978 4.306 7.637 1.00 0.00 C ATOM 164 O3' DG A 6 9.354 3.999 7.610 1.00 0.00 O ATOM 165 C2' DG A 6 7.710 5.549 6.812 1.00 0.00 C ATOM 166 C1' DG A 6 7.106 4.956 5.559 1.00 0.00 C ATOM 167 N9 DG A 6 6.204 5.910 4.908 1.00 0.00 N ATOM 168 C8 DG A 6 4.861 6.011 5.098 1.00 0.00 C ATOM 169 N7 DG A 6 4.236 6.693 4.179 1.00 0.00 N ATOM 170 C5 DG A 6 5.266 7.108 3.335 1.00 0.00 C ATOM 171 C6 DG A 6 5.224 7.771 2.072 1.00 0.00 C ATOM 172 O6 DG A 6 4.239 8.113 1.419 1.00 0.00 O ATOM 173 N1 DG A 6 6.486 7.972 1.537 1.00 0.00 N ATOM 174 C2 DG A 6 7.660 7.606 2.148 1.00 0.00 C ATOM 175 N2 DG A 6 8.803 7.954 1.568 1.00 0.00 N ATOM 176 N3 DG A 6 7.711 6.909 3.286 1.00 0.00 N ATOM 177 C4 DG A 6 6.482 6.684 3.815 1.00 0.00 C ATOM 0 H5' DG A 6 5.703 1.714 7.429 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.978 1.859 8.623 1.00 0.00 H new ATOM 0 H4' DG A 6 7.845 2.488 6.494 1.00 0.00 H new ATOM 0 H3' DG A 6 7.698 4.429 8.683 1.00 0.00 H new ATOM 0 H2' DG A 6 7.025 6.234 7.313 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.623 6.107 6.603 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.858 4.716 8.050 1.00 0.00 H new ATOM 0 H1' DG A 6 7.877 4.691 4.835 1.00 0.00 H new ATOM 0 H8 DG A 6 4.354 5.563 5.940 1.00 0.00 H new ATOM 0 H1 DG A 6 6.547 8.424 0.625 1.00 0.00 H new ATOM 0 H21 DG A 6 9.692 7.697 1.997 1.00 0.00 H new ATOM 0 H22 DG A 6 8.792 8.478 0.693 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 9.281 8.359 -5.784 1.00 0.00 O ATOM 191 C5' DC B 1 9.310 6.948 -5.687 1.00 0.00 C ATOM 192 C4' DC B 1 10.398 6.474 -4.719 1.00 0.00 C ATOM 193 O4' DC B 1 10.035 6.828 -3.397 1.00 0.00 O ATOM 194 C3' DC B 1 10.458 4.952 -4.730 1.00 0.00 C ATOM 195 O3' DC B 1 11.680 4.499 -4.185 1.00 0.00 O ATOM 196 C2' DC B 1 9.273 4.634 -3.838 1.00 0.00 C ATOM 197 C1' DC B 1 9.272 5.778 -2.822 1.00 0.00 C ATOM 198 N1 DC B 1 7.876 6.183 -2.520 1.00 0.00 N ATOM 199 C2 DC B 1 7.639 7.208 -1.607 1.00 0.00 C ATOM 200 O2 DC B 1 8.553 7.912 -1.181 1.00 0.00 O ATOM 201 N3 DC B 1 6.369 7.413 -1.151 1.00 0.00 N ATOM 202 C4 DC B 1 5.356 6.677 -1.621 1.00 0.00 C ATOM 203 N4 DC B 1 4.177 6.739 -1.013 1.00 0.00 N ATOM 204 C5 DC B 1 5.565 5.669 -2.604 1.00 0.00 C ATOM 205 C6 DC B 1 6.830 5.455 -3.015 1.00 0.00 C ATOM 0 H5' DC B 1 9.486 6.518 -6.673 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.339 6.585 -5.350 1.00 0.00 H new ATOM 0 H4' DC B 1 11.345 6.923 -5.020 1.00 0.00 H new ATOM 0 H3' DC B 1 10.413 4.482 -5.713 1.00 0.00 H new ATOM 0 H2' DC B 1 8.342 4.600 -4.404 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.386 3.665 -3.351 1.00 0.00 H new ATOM 0 HO5' DC B 1 8.577 8.629 -6.410 1.00 0.00 H new ATOM 0 H1' DC B 1 9.715 5.487 -1.869 1.00 0.00 H new ATOM 0 H41 DC B 1 3.395 6.184 -1.359 1.00 0.00 H new ATOM 0 H42 DC B 1 4.054 7.342 -0.200 1.00 0.00 H new ATOM 0 H5 DC B 1 4.741 5.098 -3.005 1.00 0.00 H new ATOM 0 H6 DC B 1 7.022 4.690 -3.753 1.00 0.00 H new ATOM 218 P DG B 2 11.965 2.922 -4.022 1.00 0.00 P ATOM 219 OP1 DG B 2 11.350 2.478 -2.751 1.00 0.00 O ATOM 220 OP2 DG B 2 13.401 2.672 -4.276 1.00 0.00 O ATOM 221 O5' DG B 2 11.116 2.345 -5.268 1.00 0.00 O ATOM 222 C5' DG B 2 10.795 0.974 -5.402 1.00 0.00 C ATOM 223 C4' DG B 2 9.967 0.464 -4.222 1.00 0.00 C ATOM 224 O4' DG B 2 8.926 1.354 -3.884 1.00 0.00 O ATOM 225 C3' DG B 2 9.292 -0.865 -4.549 1.00 0.00 C ATOM 226 O3' DG B 2 9.935 -1.874 -3.807 1.00 0.00 O ATOM 227 C2' DG B 2 7.840 -0.652 -4.118 1.00 0.00 C ATOM 228 C1' DG B 2 7.951 0.576 -3.230 1.00 0.00 C ATOM 229 N9 DG B 2 6.710 1.359 -3.129 1.00 0.00 N ATOM 230 C8 DG B 2 6.121 2.148 -4.079 1.00 0.00 C ATOM 231 N7 DG B 2 5.110 2.849 -3.642 1.00 0.00 N ATOM 232 C5 DG B 2 5.023 2.499 -2.296 1.00 0.00 C ATOM 233 C6 DG B 2 4.150 2.960 -1.264 1.00 0.00 C ATOM 234 O6 DG B 2 3.301 3.853 -1.316 1.00 0.00 O ATOM 235 N1 DG B 2 4.342 2.280 -0.071 1.00 0.00 N ATOM 236 C2 DG B 2 5.381 1.409 0.171 1.00 0.00 C ATOM 237 N2 DG B 2 5.489 0.846 1.367 1.00 0.00 N ATOM 238 N3 DG B 2 6.248 1.027 -0.769 1.00 0.00 N ATOM 239 C4 DG B 2 6.004 1.591 -1.978 1.00 0.00 C ATOM 0 H5' DG B 2 11.713 0.392 -5.479 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.241 0.820 -6.328 1.00 0.00 H new ATOM 0 H4' DG B 2 10.673 0.361 -3.398 1.00 0.00 H new ATOM 0 H3' DG B 2 9.343 -1.165 -5.596 1.00 0.00 H new ATOM 0 H2' DG B 2 7.182 -0.481 -4.970 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.444 -1.512 -3.578 1.00 0.00 H new ATOM 0 H1' DG B 2 8.186 0.287 -2.206 1.00 0.00 H new ATOM 0 H8 DG B 2 6.463 2.188 -5.103 1.00 0.00 H new ATOM 0 H1 DG B 2 3.668 2.435 0.678 1.00 0.00 H new ATOM 0 H21 DG B 2 6.254 0.199 1.559 1.00 0.00 H new ATOM 0 H22 DG B 2 4.807 1.060 2.095 1.00 0.00 H new ATOM 251 P DA B 3 9.445 -3.401 -3.883 1.00 0.00 P ATOM 252 OP1 DA B 3 10.583 -4.279 -3.531 1.00 0.00 O ATOM 253 OP2 DA B 3 8.718 -3.599 -5.157 1.00 0.00 O ATOM 254 O5' DA B 3 8.387 -3.442 -2.680 1.00 0.00 O ATOM 255 C5' DA B 3 8.845 -3.437 -1.344 1.00 0.00 C ATOM 256 C4' DA B 3 7.667 -3.647 -0.397 1.00 0.00 C ATOM 257 O4' DA B 3 6.854 -2.486 -0.345 1.00 0.00 O ATOM 258 C3' DA B 3 6.830 -4.817 -0.885 1.00 0.00 C ATOM 259 O3' DA B 3 6.524 -5.622 0.221 1.00 0.00 O ATOM 260 C2' DA B 3 5.593 -4.105 -1.378 1.00 0.00 C ATOM 261 C1' DA B 3 5.512 -2.893 -0.489 1.00 0.00 C ATOM 262 N9 DA B 3 4.739 -1.888 -1.217 1.00 0.00 N ATOM 263 C8 DA B 3 4.831 -1.627 -2.550 1.00 0.00 C ATOM 264 N7 DA B 3 3.986 -0.736 -2.990 1.00 0.00 N ATOM 265 C5 DA B 3 3.272 -0.399 -1.842 1.00 0.00 C ATOM 266 C6 DA B 3 2.204 0.480 -1.601 1.00 0.00 C ATOM 267 N6 DA B 3 1.687 1.251 -2.556 1.00 0.00 N ATOM 268 N1 DA B 3 1.692 0.557 -0.364 1.00 0.00 N ATOM 269 C2 DA B 3 2.206 -0.206 0.598 1.00 0.00 C ATOM 270 N3 DA B 3 3.202 -1.077 0.501 1.00 0.00 N ATOM 271 C4 DA B 3 3.708 -1.113 -0.757 1.00 0.00 C ATOM 0 H5' DA B 3 9.339 -2.491 -1.122 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.585 -4.224 -1.200 1.00 0.00 H new ATOM 0 H4' DA B 3 8.055 -3.852 0.601 1.00 0.00 H new ATOM 0 H3' DA B 3 7.296 -5.456 -1.635 1.00 0.00 H new ATOM 0 H2' DA B 3 5.680 -3.828 -2.429 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.705 -4.731 -1.286 1.00 0.00 H new ATOM 0 H1' DA B 3 5.043 -3.061 0.481 1.00 0.00 H new ATOM 0 H8 DA B 3 5.547 -2.119 -3.192 1.00 0.00 H new ATOM 0 H61 DA B 3 0.911 1.877 -2.342 1.00 0.00 H new ATOM 0 H62 DA B 3 2.067 1.215 -3.502 1.00 0.00 H new ATOM 0 H2 DA B 3 1.758 -0.104 1.575 1.00 0.00 H new ATOM 283 P DT B 4 5.621 -6.936 0.065 1.00 0.00 P ATOM 284 OP1 DT B 4 6.459 -8.017 -0.497 1.00 0.00 O ATOM 285 OP2 DT B 4 4.344 -6.569 -0.590 1.00 0.00 O ATOM 286 O5' DT B 4 5.352 -7.243 1.616 1.00 0.00 O ATOM 287 C5' DT B 4 5.025 -6.205 2.521 1.00 0.00 C ATOM 288 C4' DT B 4 3.601 -5.676 2.337 1.00 0.00 C ATOM 289 O4' DT B 4 3.473 -4.593 1.434 1.00 0.00 O ATOM 290 C3' DT B 4 2.655 -6.758 1.827 1.00 0.00 C ATOM 291 O3' DT B 4 1.980 -7.322 2.926 1.00 0.00 O ATOM 292 C2' DT B 4 1.747 -5.979 0.887 1.00 0.00 C ATOM 293 C1' DT B 4 2.080 -4.544 1.208 1.00 0.00 C ATOM 294 N1 DT B 4 1.666 -3.734 0.057 1.00 0.00 N ATOM 295 C2 DT B 4 0.618 -2.846 0.252 1.00 0.00 C ATOM 296 O2 DT B 4 0.091 -2.673 1.346 1.00 0.00 O ATOM 297 N3 DT B 4 0.181 -2.169 -0.868 1.00 0.00 N ATOM 298 C4 DT B 4 0.652 -2.350 -2.153 1.00 0.00 C ATOM 299 O4 DT B 4 0.172 -1.707 -3.080 1.00 0.00 O ATOM 300 C5 DT B 4 1.723 -3.322 -2.274 1.00 0.00 C ATOM 301 C7 DT B 4 2.365 -3.566 -3.619 1.00 0.00 C ATOM 302 C6 DT B 4 2.189 -3.974 -1.184 1.00 0.00 C ATOM 0 H5' DT B 4 5.731 -5.384 2.394 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.142 -6.570 3.541 1.00 0.00 H new ATOM 0 H4' DT B 4 3.342 -5.334 3.339 1.00 0.00 H new ATOM 0 H3' DT B 4 3.123 -7.600 1.317 1.00 0.00 H new ATOM 0 H2' DT B 4 1.948 -6.216 -0.158 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.695 -6.199 1.067 1.00 0.00 H new ATOM 0 H1' DT B 4 1.583 -4.097 2.069 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.554 -1.474 -0.735 1.00 0.00 H new ATOM 0 H71 DT B 4 3.405 -3.861 -3.478 1.00 0.00 H new ATOM 0 H72 DT B 4 1.830 -4.361 -4.139 1.00 0.00 H new ATOM 0 H73 DT B 4 2.325 -2.653 -4.213 1.00 0.00 H new ATOM 0 H6 DT B 4 2.986 -4.695 -1.295 1.00 0.00 H new ATOM 315 P DC B 5 0.825 -8.426 2.750 1.00 0.00 P ATOM 316 OP1 DC B 5 1.040 -9.499 3.745 1.00 0.00 O ATOM 317 OP2 DC B 5 0.672 -8.752 1.315 1.00 0.00 O ATOM 318 O5' DC B 5 -0.447 -7.561 3.207 1.00 0.00 O ATOM 319 C5' DC B 5 -0.428 -6.936 4.473 1.00 0.00 C ATOM 320 C4' DC B 5 -1.767 -6.297 4.846 1.00 0.00 C ATOM 321 O4' DC B 5 -2.081 -5.199 4.008 1.00 0.00 O ATOM 322 C3' DC B 5 -2.896 -7.304 4.714 1.00 0.00 C ATOM 323 O3' DC B 5 -3.881 -6.976 5.667 1.00 0.00 O ATOM 324 C2' DC B 5 -3.340 -7.073 3.275 1.00 0.00 C ATOM 325 C1' DC B 5 -3.053 -5.588 3.052 1.00 0.00 C ATOM 326 N1 DC B 5 -2.514 -5.300 1.707 1.00 0.00 N ATOM 327 C2 DC B 5 -2.816 -4.070 1.147 1.00 0.00 C ATOM 328 O2 DC B 5 -3.468 -3.233 1.767 1.00 0.00 O ATOM 329 N3 DC B 5 -2.472 -3.835 -0.151 1.00 0.00 N ATOM 330 C4 DC B 5 -1.776 -4.746 -0.836 1.00 0.00 C ATOM 331 N4 DC B 5 -1.532 -4.499 -2.117 1.00 0.00 N ATOM 332 C5 DC B 5 -1.297 -5.944 -0.221 1.00 0.00 C ATOM 333 C6 DC B 5 -1.709 -6.184 1.046 1.00 0.00 C ATOM 0 H5' DC B 5 0.348 -6.171 4.482 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.159 -7.672 5.231 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.667 -5.956 5.876 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.649 -8.350 4.895 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.784 -7.699 2.577 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.397 -7.303 3.138 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.991 -5.042 3.150 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.004 -5.170 -2.674 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.873 -3.638 -2.544 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.639 -6.624 -0.741 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.396 -7.090 1.543 1.00 0.00 H new ATOM 345 P DG B 6 -4.978 -8.056 6.123 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.517 -7.649 7.439 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.403 -9.408 5.942 1.00 0.00 O ATOM 348 O5' DG B 6 -6.114 -7.834 5.022 1.00 0.00 O ATOM 349 C5' DG B 6 -6.852 -6.631 5.005 1.00 0.00 C ATOM 350 C4' DG B 6 -7.646 -6.555 3.708 1.00 0.00 C ATOM 351 O4' DG B 6 -6.760 -6.567 2.612 1.00 0.00 O ATOM 352 C3' DG B 6 -8.556 -7.758 3.552 1.00 0.00 C ATOM 353 O3' DG B 6 -9.908 -7.357 3.542 1.00 0.00 O ATOM 354 C2' DG B 6 -8.189 -8.348 2.206 1.00 0.00 C ATOM 355 C1' DG B 6 -7.453 -7.197 1.558 1.00 0.00 C ATOM 356 N9 DG B 6 -6.485 -7.687 0.572 1.00 0.00 N ATOM 357 C8 DG B 6 -5.179 -7.976 0.811 1.00 0.00 C ATOM 358 N7 DG B 6 -4.437 -8.056 -0.259 1.00 0.00 N ATOM 359 C5 DG B 6 -5.350 -7.847 -1.293 1.00 0.00 C ATOM 360 C6 DG B 6 -5.142 -7.667 -2.693 1.00 0.00 C ATOM 361 O6 DG B 6 -4.078 -7.619 -3.311 1.00 0.00 O ATOM 362 N1 DG B 6 -6.324 -7.455 -3.383 1.00 0.00 N ATOM 363 C2 DG B 6 -7.569 -7.425 -2.805 1.00 0.00 C ATOM 364 N2 DG B 6 -8.623 -7.315 -3.607 1.00 0.00 N ATOM 365 N3 DG B 6 -7.771 -7.495 -1.487 1.00 0.00 N ATOM 366 C4 DG B 6 -6.621 -7.690 -0.791 1.00 0.00 C ATOM 0 H5' DG B 6 -6.181 -5.776 5.086 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.525 -6.590 5.861 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.237 -5.640 3.739 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.436 -8.468 4.370 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.560 -9.233 2.305 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.069 -8.645 1.635 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.482 -8.145 3.439 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.139 -6.528 1.039 1.00 0.00 H new ATOM 0 H8 DG B 6 -4.787 -8.127 1.806 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.265 -7.311 -4.391 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.563 -7.290 -3.213 1.00 0.00 H new ATOM 0 H22 DG B 6 -8.491 -7.256 -4.617 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.602 2.859 3.214 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.696 3.277 2.449 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.241 3.780 1.231 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.868 3.889 1.332 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.913 4.536 0.532 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.613 4.700 1.025 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.266 4.132 2.260 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.216 3.433 3.022 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.508 3.359 2.552 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.949 3.175 3.069 1.00 0.00 C HETATM 389 N6 PPZ A 7 12.005 3.929 2.590 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.042 2.554 4.256 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.924 2.126 4.841 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.664 2.258 4.430 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.920 4.930 1.535 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.759 5.901 1.794 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.123 6.911 2.711 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.486 6.922 3.456 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.448 6.357 0.854 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.902 5.350 2.180 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.857 5.484 1.477 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.781 4.439 0.572 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.921 3.771 3.011 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.059 1.596 5.784 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.180 4.905 -0.458 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.876 5.265 0.454 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.247 4.235 2.632 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.937 2.960 3.964 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.671 -4.061 0.620 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.646 -3.939 -0.376 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.021 -3.755 -1.609 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.671 -3.971 -1.411 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.598 -4.123 -2.303 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.370 -4.586 -1.816 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.215 -4.819 -0.442 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.273 -4.585 0.450 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.489 -4.196 -0.064 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.974 -4.078 0.049 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.966 -4.358 -0.873 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.230 -4.166 1.364 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.206 -4.197 2.216 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.901 -4.185 1.952 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.764 -4.634 -2.287 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.650 -5.671 -2.492 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.123 -6.995 -2.368 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.647 -7.446 -1.640 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.208 -5.536 -3.479 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.859 -5.500 -1.762 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.692 -5.001 -2.726 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.507 -3.712 -2.808 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.927 -4.372 -0.530 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.473 -4.238 3.272 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.719 -3.884 -3.360 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.540 -4.764 -2.500 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.262 -5.186 -0.062 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.135 -4.708 1.524 1.00 0.00 H new