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 -96:sc= -2.29! USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.259 (180deg=-0.259) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -143:sc= 1.62 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.016 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -127:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.632 -1.676 -7.747 1.00 0.00 O ATOM 2 C5' DC A 1 -7.810 -1.557 -8.517 1.00 0.00 C ATOM 3 C4' DC A 1 -8.988 -2.312 -7.889 1.00 0.00 C ATOM 4 O4' DC A 1 -8.586 -3.650 -7.628 1.00 0.00 O ATOM 5 C3' DC A 1 -9.427 -1.701 -6.559 1.00 0.00 C ATOM 6 O3' DC A 1 -10.768 -2.067 -6.301 1.00 0.00 O ATOM 7 C2' DC A 1 -8.474 -2.426 -5.633 1.00 0.00 C ATOM 8 C1' DC A 1 -8.502 -3.831 -6.224 1.00 0.00 C ATOM 9 N1 DC A 1 -7.267 -4.545 -5.849 1.00 0.00 N ATOM 10 C2 DC A 1 -7.371 -5.805 -5.278 1.00 0.00 C ATOM 11 O2 DC A 1 -8.452 -6.385 -5.202 1.00 0.00 O ATOM 12 N3 DC A 1 -6.252 -6.378 -4.745 1.00 0.00 N ATOM 13 C4 DC A 1 -5.072 -5.748 -4.806 1.00 0.00 C ATOM 14 N4 DC A 1 -4.053 -6.242 -4.112 1.00 0.00 N ATOM 15 C5 DC A 1 -4.942 -4.463 -5.414 1.00 0.00 C ATOM 16 C6 DC A 1 -6.064 -3.905 -5.916 1.00 0.00 C ATOM 0 H5' DC A 1 -7.627 -1.941 -9.520 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.069 -0.504 -8.622 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.820 -2.258 -8.591 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.397 -0.614 -6.486 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.474 -1.992 -5.649 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.813 -2.408 -4.597 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.543 -0.894 -7.163 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.339 -4.425 -5.858 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.144 -5.780 -4.142 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.180 -7.083 -3.549 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.988 -3.960 -5.470 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.008 -2.932 -6.380 1.00 0.00 H new ATOM 29 P DG A 2 -11.557 -1.588 -4.974 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.662 -1.727 -3.806 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.856 -2.295 -4.963 1.00 0.00 O ATOM 32 O5' DG A 2 -11.873 -0.020 -5.227 1.00 0.00 O ATOM 33 C5' DG A 2 -10.879 0.939 -5.543 1.00 0.00 C ATOM 34 C4' DG A 2 -9.914 1.203 -4.387 1.00 0.00 C ATOM 35 O4' DG A 2 -8.896 0.233 -4.368 1.00 0.00 O ATOM 36 C3' DG A 2 -9.182 2.538 -4.523 1.00 0.00 C ATOM 37 O3' DG A 2 -9.760 3.471 -3.639 1.00 0.00 O ATOM 38 C2' DG A 2 -7.742 2.198 -4.139 1.00 0.00 C ATOM 39 C1' DG A 2 -7.843 0.775 -3.614 1.00 0.00 C ATOM 40 N9 DG A 2 -6.621 0.003 -3.886 1.00 0.00 N ATOM 41 C8 DG A 2 -6.073 -0.312 -5.095 1.00 0.00 C ATOM 42 N7 DG A 2 -5.055 -1.126 -5.038 1.00 0.00 N ATOM 43 C5 DG A 2 -4.920 -1.375 -3.673 1.00 0.00 C ATOM 44 C6 DG A 2 -4.014 -2.220 -2.961 1.00 0.00 C ATOM 45 O6 DG A 2 -3.120 -2.943 -3.406 1.00 0.00 O ATOM 46 N1 DG A 2 -4.229 -2.185 -1.593 1.00 0.00 N ATOM 47 C2 DG A 2 -5.209 -1.445 -0.970 1.00 0.00 C ATOM 48 N2 DG A 2 -5.296 -1.458 0.353 1.00 0.00 N ATOM 49 N3 DG A 2 -6.066 -0.665 -1.626 1.00 0.00 N ATOM 50 C4 DG A 2 -5.874 -0.680 -2.967 1.00 0.00 C ATOM 0 H5' DG A 2 -11.362 1.874 -5.827 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.314 0.596 -6.410 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.531 1.191 -3.489 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.236 2.983 -5.516 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.072 2.263 -4.996 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.357 2.880 -3.381 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.992 0.750 -2.535 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.452 0.082 -6.026 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.616 -2.749 -1.004 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.019 -0.912 0.822 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.640 -2.014 0.902 1.00 0.00 H new ATOM 62 P DA A 3 -9.036 4.865 -3.283 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.065 5.822 -2.818 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.127 5.230 -4.392 1.00 0.00 O ATOM 65 O5' DA A 3 -8.153 4.415 -2.015 1.00 0.00 O ATOM 66 C5' DA A 3 -8.813 3.915 -0.871 1.00 0.00 C ATOM 67 C4' DA A 3 -7.860 3.676 0.300 1.00 0.00 C ATOM 68 O4' DA A 3 -6.937 2.632 0.025 1.00 0.00 O ATOM 69 C3' DA A 3 -7.078 4.938 0.627 1.00 0.00 C ATOM 70 O3' DA A 3 -7.082 5.066 2.030 1.00 0.00 O ATOM 71 C2' DA A 3 -5.711 4.617 0.042 1.00 0.00 C ATOM 72 C1' DA A 3 -5.611 3.104 0.199 1.00 0.00 C ATOM 73 N9 DA A 3 -4.785 2.535 -0.883 1.00 0.00 N ATOM 74 C8 DA A 3 -4.880 2.795 -2.227 1.00 0.00 C ATOM 75 N7 DA A 3 -4.027 2.143 -2.966 1.00 0.00 N ATOM 76 C5 DA A 3 -3.334 1.374 -2.039 1.00 0.00 C ATOM 77 C6 DA A 3 -2.296 0.440 -2.171 1.00 0.00 C ATOM 78 N6 DA A 3 -1.776 0.157 -3.362 1.00 0.00 N ATOM 79 N1 DA A 3 -1.862 -0.224 -1.088 1.00 0.00 N ATOM 80 C2 DA A 3 -2.422 0.052 0.090 1.00 0.00 C ATOM 81 N3 DA A 3 -3.376 0.942 0.354 1.00 0.00 N ATOM 82 C4 DA A 3 -3.807 1.572 -0.770 1.00 0.00 C ATOM 0 H5' DA A 3 -9.313 2.980 -1.124 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.588 4.619 -0.566 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.478 3.389 1.151 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.457 5.881 0.234 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.639 4.919 -1.003 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.913 5.131 0.578 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.170 2.830 1.158 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.603 3.484 -2.639 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.021 -0.525 -3.440 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.132 0.622 -4.197 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.057 -0.516 0.933 1.00 0.00 H new ATOM 94 P DT A 4 -6.303 6.252 2.784 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.123 6.703 3.930 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.815 7.224 1.782 1.00 0.00 O ATOM 97 O5' DT A 4 -5.057 5.424 3.346 1.00 0.00 O ATOM 98 C5' DT A 4 -5.286 4.360 4.246 1.00 0.00 C ATOM 99 C4' DT A 4 -4.009 3.546 4.410 1.00 0.00 C ATOM 100 O4' DT A 4 -3.625 3.038 3.143 1.00 0.00 O ATOM 101 C3' DT A 4 -2.884 4.447 4.923 1.00 0.00 C ATOM 102 O3' DT A 4 -2.200 3.818 5.984 1.00 0.00 O ATOM 103 C2' DT A 4 -1.999 4.551 3.695 1.00 0.00 C ATOM 104 C1' DT A 4 -2.230 3.202 3.053 1.00 0.00 C ATOM 105 N1 DT A 4 -1.751 3.249 1.664 1.00 0.00 N ATOM 106 C2 DT A 4 -0.755 2.355 1.308 1.00 0.00 C ATOM 107 O2 DT A 4 -0.282 1.544 2.097 1.00 0.00 O ATOM 108 N3 DT A 4 -0.309 2.432 0.003 1.00 0.00 N ATOM 109 C4 DT A 4 -0.766 3.314 -0.953 1.00 0.00 C ATOM 110 O4 DT A 4 -0.312 3.280 -2.092 1.00 0.00 O ATOM 111 C5 DT A 4 -1.798 4.224 -0.495 1.00 0.00 C ATOM 112 C7 DT A 4 -2.391 5.221 -1.462 1.00 0.00 C ATOM 113 C6 DT A 4 -2.252 4.167 0.779 1.00 0.00 C ATOM 0 H5' DT A 4 -6.090 3.724 3.876 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.607 4.750 5.212 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.187 2.735 5.116 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.215 5.409 5.314 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.294 5.373 3.043 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.952 4.710 3.954 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.703 2.371 3.522 1.00 0.00 H new ATOM 0 H3 DT A 4 0.423 1.779 -0.278 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.424 5.429 -1.183 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.814 6.145 -1.431 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.364 4.810 -2.471 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.020 4.855 1.102 1.00 0.00 H new ATOM 126 P DC A 5 -1.134 4.632 6.876 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.589 4.618 8.283 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.841 5.918 6.203 1.00 0.00 O ATOM 129 O5' DC A 5 0.183 3.721 6.761 1.00 0.00 O ATOM 130 C5' DC A 5 0.226 2.455 7.387 1.00 0.00 C ATOM 131 C4' DC A 5 1.600 1.789 7.243 1.00 0.00 C ATOM 132 O4' DC A 5 1.880 1.547 5.877 1.00 0.00 O ATOM 133 C3' DC A 5 2.700 2.697 7.779 1.00 0.00 C ATOM 134 O3' DC A 5 3.827 1.932 8.150 1.00 0.00 O ATOM 135 C2' DC A 5 2.988 3.531 6.541 1.00 0.00 C ATOM 136 C1' DC A 5 2.782 2.528 5.405 1.00 0.00 C ATOM 137 N1 DC A 5 2.235 3.151 4.177 1.00 0.00 N ATOM 138 C2 DC A 5 2.532 2.543 2.966 1.00 0.00 C ATOM 139 O2 DC A 5 3.112 1.460 2.921 1.00 0.00 O ATOM 140 N3 DC A 5 2.277 3.219 1.812 1.00 0.00 N ATOM 141 C4 DC A 5 1.661 4.401 1.844 1.00 0.00 C ATOM 142 N4 DC A 5 1.455 5.018 0.685 1.00 0.00 N ATOM 143 C5 DC A 5 1.216 4.986 3.070 1.00 0.00 C ATOM 144 C6 DC A 5 1.540 4.330 4.211 1.00 0.00 C ATOM 0 H5' DC A 5 -0.537 1.809 6.952 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.014 2.565 8.444 1.00 0.00 H new ATOM 0 H4' DC A 5 1.574 0.857 7.807 1.00 0.00 H new ATOM 0 H3' DC A 5 2.439 3.275 8.665 1.00 0.00 H new ATOM 0 H2' DC A 5 2.311 4.381 6.459 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.002 3.931 6.549 1.00 0.00 H new ATOM 0 H1' DC A 5 3.748 2.105 5.131 1.00 0.00 H new ATOM 0 H41 DC A 5 0.987 5.924 0.666 1.00 0.00 H new ATOM 0 H42 DC A 5 1.765 4.585 -0.185 1.00 0.00 H new ATOM 0 H5 DC A 5 0.650 5.905 3.086 1.00 0.00 H new ATOM 0 H6 DC A 5 1.245 4.745 5.164 1.00 0.00 H new ATOM 156 P DG A 6 4.918 2.529 9.174 1.00 0.00 P ATOM 157 OP1 DG A 6 4.331 2.460 10.530 1.00 0.00 O ATOM 158 OP2 DG A 6 5.397 3.831 8.664 1.00 0.00 O ATOM 159 O5' DG A 6 6.121 1.459 9.109 1.00 0.00 O ATOM 160 C5' DG A 6 6.627 0.954 7.886 1.00 0.00 C ATOM 161 C4' DG A 6 7.476 1.955 7.100 1.00 0.00 C ATOM 162 O4' DG A 6 6.697 2.891 6.392 1.00 0.00 O ATOM 163 C3' DG A 6 8.447 2.747 7.952 1.00 0.00 C ATOM 164 O3' DG A 6 9.770 2.357 7.660 1.00 0.00 O ATOM 165 C2' DG A 6 8.231 4.185 7.511 1.00 0.00 C ATOM 166 C1' DG A 6 7.540 4.004 6.177 1.00 0.00 C ATOM 167 N9 DG A 6 6.713 5.166 5.824 1.00 0.00 N ATOM 168 C8 DG A 6 5.441 5.393 6.256 1.00 0.00 C ATOM 169 N7 DG A 6 4.753 6.217 5.521 1.00 0.00 N ATOM 170 C5 DG A 6 5.674 6.621 4.558 1.00 0.00 C ATOM 171 C6 DG A 6 5.488 7.420 3.394 1.00 0.00 C ATOM 172 O6 DG A 6 4.446 7.902 2.952 1.00 0.00 O ATOM 173 N1 DG A 6 6.657 7.586 2.676 1.00 0.00 N ATOM 174 C2 DG A 6 7.874 7.078 3.044 1.00 0.00 C ATOM 175 N2 DG A 6 8.931 7.458 2.332 1.00 0.00 N ATOM 176 N3 DG A 6 8.057 6.249 4.082 1.00 0.00 N ATOM 177 C4 DG A 6 6.905 6.045 4.785 1.00 0.00 C ATOM 0 H5' DG A 6 5.791 0.635 7.263 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.227 0.068 8.092 1.00 0.00 H new ATOM 0 H4' DG A 6 8.035 1.318 6.414 1.00 0.00 H new ATOM 0 H3' DG A 6 8.290 2.599 9.020 1.00 0.00 H new ATOM 0 H2' DG A 6 7.615 4.740 8.218 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.171 4.728 7.413 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.393 2.874 8.213 1.00 0.00 H new ATOM 0 H1' DG A 6 8.258 3.879 5.367 1.00 0.00 H new ATOM 0 H8 DG A 6 5.035 4.925 7.141 1.00 0.00 H new ATOM 0 H1 DG A 6 6.610 8.125 1.811 1.00 0.00 H new ATOM 0 H21 DG A 6 9.859 7.106 2.569 1.00 0.00 H new ATOM 0 H22 DG A 6 8.814 8.102 1.549 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 8.022 5.571 -7.090 1.00 0.00 O ATOM 191 C5' DC B 1 7.558 6.291 -5.968 1.00 0.00 C ATOM 192 C4' DC B 1 8.744 6.793 -5.143 1.00 0.00 C ATOM 193 O4' DC B 1 8.260 7.427 -3.971 1.00 0.00 O ATOM 194 C3' DC B 1 9.562 5.591 -4.691 1.00 0.00 C ATOM 195 O3' DC B 1 10.851 6.017 -4.310 1.00 0.00 O ATOM 196 C2' DC B 1 8.740 5.196 -3.476 1.00 0.00 C ATOM 197 C1' DC B 1 8.493 6.574 -2.863 1.00 0.00 C ATOM 198 N1 DC B 1 7.309 6.596 -1.982 1.00 0.00 N ATOM 199 C2 DC B 1 7.363 7.323 -0.797 1.00 0.00 C ATOM 200 O2 DC B 1 8.410 7.839 -0.407 1.00 0.00 O ATOM 201 N3 DC B 1 6.234 7.432 -0.037 1.00 0.00 N ATOM 202 C4 DC B 1 5.096 6.853 -0.435 1.00 0.00 C ATOM 203 N4 DC B 1 4.038 6.895 0.368 1.00 0.00 N ATOM 204 C5 DC B 1 5.030 6.080 -1.629 1.00 0.00 C ATOM 205 C6 DC B 1 6.154 5.982 -2.370 1.00 0.00 C ATOM 0 H5' DC B 1 6.921 5.654 -5.354 1.00 0.00 H new ATOM 0 H5'' DC B 1 6.948 7.134 -6.293 1.00 0.00 H new ATOM 0 H4' DC B 1 9.339 7.481 -5.743 1.00 0.00 H new ATOM 0 H3' DC B 1 9.718 4.801 -5.426 1.00 0.00 H new ATOM 0 H2' DC B 1 7.814 4.688 -3.746 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.283 4.532 -2.803 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.257 5.251 -7.613 1.00 0.00 H new ATOM 0 H1' DC B 1 9.340 6.874 -2.246 1.00 0.00 H new ATOM 0 H41 DC B 1 3.162 6.459 0.081 1.00 0.00 H new ATOM 0 H42 DC B 1 4.102 7.364 1.272 1.00 0.00 H new ATOM 0 H5 DC B 1 4.116 5.591 -1.930 1.00 0.00 H new ATOM 0 H6 DC B 1 6.139 5.408 -3.285 1.00 0.00 H new ATOM 218 P DG B 2 12.095 4.996 -4.250 1.00 0.00 P ATOM 219 OP1 DG B 2 13.080 5.538 -3.288 1.00 0.00 O ATOM 220 OP2 DG B 2 12.509 4.703 -5.640 1.00 0.00 O ATOM 221 O5' DG B 2 11.475 3.653 -3.626 1.00 0.00 O ATOM 222 C5' DG B 2 10.913 2.675 -4.474 1.00 0.00 C ATOM 223 C4' DG B 2 10.281 1.568 -3.638 1.00 0.00 C ATOM 224 O4' DG B 2 9.163 2.106 -2.954 1.00 0.00 O ATOM 225 C3' DG B 2 9.773 0.429 -4.524 1.00 0.00 C ATOM 226 O3' DG B 2 10.057 -0.789 -3.870 1.00 0.00 O ATOM 227 C2' DG B 2 8.279 0.697 -4.553 1.00 0.00 C ATOM 228 C1' DG B 2 8.080 1.225 -3.144 1.00 0.00 C ATOM 229 N9 DG B 2 6.812 1.958 -3.034 1.00 0.00 N ATOM 230 C8 DG B 2 6.245 2.818 -3.931 1.00 0.00 C ATOM 231 N7 DG B 2 5.155 3.394 -3.509 1.00 0.00 N ATOM 232 C5 DG B 2 4.982 2.863 -2.230 1.00 0.00 C ATOM 233 C6 DG B 2 3.992 3.124 -1.237 1.00 0.00 C ATOM 234 O6 DG B 2 3.036 3.900 -1.293 1.00 0.00 O ATOM 235 N1 DG B 2 4.194 2.387 -0.082 1.00 0.00 N ATOM 236 C2 DG B 2 5.239 1.515 0.119 1.00 0.00 C ATOM 237 N2 DG B 2 5.308 0.848 1.264 1.00 0.00 N ATOM 238 N3 DG B 2 6.174 1.272 -0.798 1.00 0.00 N ATOM 239 C4 DG B 2 5.992 1.978 -1.940 1.00 0.00 C ATOM 0 H5' DG B 2 11.683 2.258 -5.124 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.162 3.129 -5.120 1.00 0.00 H new ATOM 0 H4' DG B 2 11.034 1.183 -2.951 1.00 0.00 H new ATOM 0 H3' DG B 2 10.212 0.372 -5.520 1.00 0.00 H new ATOM 0 H2' DG B 2 8.001 1.426 -5.314 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.697 -0.204 -4.747 1.00 0.00 H new ATOM 0 H1' DG B 2 8.042 0.425 -2.404 1.00 0.00 H new ATOM 0 H8 DG B 2 6.665 3.005 -4.908 1.00 0.00 H new ATOM 0 H1 DG B 2 3.519 2.499 0.675 1.00 0.00 H new ATOM 0 H21 DG B 2 6.076 0.197 1.430 1.00 0.00 H new ATOM 0 H22 DG B 2 4.593 0.986 1.978 1.00 0.00 H new ATOM 251 P DA B 3 9.535 -2.207 -4.431 1.00 0.00 P ATOM 252 OP1 DA B 3 10.652 -3.174 -4.362 1.00 0.00 O ATOM 253 OP2 DA B 3 8.822 -1.984 -5.709 1.00 0.00 O ATOM 254 O5' DA B 3 8.454 -2.609 -3.311 1.00 0.00 O ATOM 255 C5' DA B 3 8.895 -2.885 -1.999 1.00 0.00 C ATOM 256 C4' DA B 3 7.767 -3.420 -1.118 1.00 0.00 C ATOM 257 O4' DA B 3 6.805 -2.410 -0.873 1.00 0.00 O ATOM 258 C3' DA B 3 7.072 -4.620 -1.751 1.00 0.00 C ATOM 259 O3' DA B 3 7.026 -5.632 -0.770 1.00 0.00 O ATOM 260 C2' DA B 3 5.709 -4.056 -2.125 1.00 0.00 C ATOM 261 C1' DA B 3 5.510 -2.911 -1.140 1.00 0.00 C ATOM 262 N9 DA B 3 4.744 -1.835 -1.792 1.00 0.00 N ATOM 263 C8 DA B 3 4.933 -1.314 -3.047 1.00 0.00 C ATOM 264 N7 DA B 3 4.065 -0.402 -3.386 1.00 0.00 N ATOM 265 C5 DA B 3 3.286 -0.273 -2.241 1.00 0.00 C ATOM 266 C6 DA B 3 2.206 0.561 -1.919 1.00 0.00 C ATOM 267 N6 DA B 3 1.695 1.398 -2.817 1.00 0.00 N ATOM 268 N1 DA B 3 1.732 0.568 -0.662 1.00 0.00 N ATOM 269 C2 DA B 3 2.277 -0.261 0.229 1.00 0.00 C ATOM 270 N3 DA B 3 3.249 -1.147 0.030 1.00 0.00 N ATOM 271 C4 DA B 3 3.728 -1.094 -1.240 1.00 0.00 C ATOM 0 H5' DA B 3 9.303 -1.977 -1.555 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.705 -3.614 -2.034 1.00 0.00 H new ATOM 0 H4' DA B 3 8.222 -3.736 -0.179 1.00 0.00 H new ATOM 0 H3' DA B 3 7.549 -5.064 -2.625 1.00 0.00 H new ATOM 0 H2' DA B 3 5.690 -3.705 -3.157 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.925 -4.807 -2.030 1.00 0.00 H new ATOM 0 H1' DA B 3 4.986 -3.243 -0.244 1.00 0.00 H new ATOM 0 H8 DA B 3 5.733 -1.632 -3.699 1.00 0.00 H new ATOM 0 H61 DA B 3 0.909 1.998 -2.566 1.00 0.00 H new ATOM 0 H62 DA B 3 2.089 1.440 -3.757 1.00 0.00 H new ATOM 0 H2 DA B 3 1.882 -0.207 1.233 1.00 0.00 H new ATOM 283 P DT B 4 6.184 -6.988 -0.965 1.00 0.00 P ATOM 284 OP1 DT B 4 6.881 -8.084 -0.257 1.00 0.00 O ATOM 285 OP2 DT B 4 5.814 -7.131 -2.391 1.00 0.00 O ATOM 286 O5' DT B 4 4.880 -6.592 -0.129 1.00 0.00 O ATOM 287 C5' DT B 4 5.021 -6.241 1.231 1.00 0.00 C ATOM 288 C4' DT B 4 3.725 -5.632 1.749 1.00 0.00 C ATOM 289 O4' DT B 4 3.392 -4.502 0.962 1.00 0.00 O ATOM 290 C3' DT B 4 2.585 -6.643 1.641 1.00 0.00 C ATOM 291 O3' DT B 4 1.950 -6.769 2.893 1.00 0.00 O ATOM 292 C2' DT B 4 1.672 -5.980 0.626 1.00 0.00 C ATOM 293 C1' DT B 4 1.992 -4.512 0.815 1.00 0.00 C ATOM 294 N1 DT B 4 1.569 -3.787 -0.390 1.00 0.00 N ATOM 295 C2 DT B 4 0.597 -2.808 -0.250 1.00 0.00 C ATOM 296 O2 DT B 4 0.115 -2.509 0.838 1.00 0.00 O ATOM 297 N3 DT B 4 0.195 -2.181 -1.413 1.00 0.00 N ATOM 298 C4 DT B 4 0.668 -2.456 -2.680 1.00 0.00 C ATOM 299 O4 DT B 4 0.238 -1.836 -3.647 1.00 0.00 O ATOM 300 C5 DT B 4 1.683 -3.491 -2.736 1.00 0.00 C ATOM 301 C7 DT B 4 2.294 -3.877 -4.061 1.00 0.00 C ATOM 302 C6 DT B 4 2.094 -4.116 -1.610 1.00 0.00 C ATOM 0 H5' DT B 4 5.839 -5.530 1.349 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.278 -7.123 1.818 1.00 0.00 H new ATOM 0 H4' DT B 4 3.866 -5.347 2.792 1.00 0.00 H new ATOM 0 H3' DT B 4 2.890 -7.649 1.352 1.00 0.00 H new ATOM 0 H2' DT B 4 1.882 -6.315 -0.390 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.622 -6.196 0.822 1.00 0.00 H new ATOM 0 H1' DT B 4 1.493 -4.040 1.662 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.513 -1.451 -1.328 1.00 0.00 H new ATOM 0 H71 DT B 4 3.318 -4.217 -3.904 1.00 0.00 H new ATOM 0 H72 DT B 4 1.710 -4.680 -4.511 1.00 0.00 H new ATOM 0 H73 DT B 4 2.296 -3.013 -4.726 1.00 0.00 H new ATOM 0 H6 DT B 4 2.848 -4.887 -1.674 1.00 0.00 H new ATOM 315 P DC B 5 0.844 -7.909 3.161 1.00 0.00 P ATOM 316 OP1 DC B 5 1.277 -8.721 4.319 1.00 0.00 O ATOM 317 OP2 DC B 5 0.509 -8.563 1.876 1.00 0.00 O ATOM 318 O5' DC B 5 -0.419 -7.025 3.603 1.00 0.00 O ATOM 319 C5' DC B 5 -0.328 -6.213 4.753 1.00 0.00 C ATOM 320 C4' DC B 5 -1.633 -5.468 5.045 1.00 0.00 C ATOM 321 O4' DC B 5 -1.939 -4.540 4.020 1.00 0.00 O ATOM 322 C3' DC B 5 -2.809 -6.425 5.144 1.00 0.00 C ATOM 323 O3' DC B 5 -3.742 -5.854 6.035 1.00 0.00 O ATOM 324 C2' DC B 5 -3.292 -6.465 3.698 1.00 0.00 C ATOM 325 C1' DC B 5 -2.949 -5.068 3.176 1.00 0.00 C ATOM 326 N1 DC B 5 -2.453 -5.050 1.780 1.00 0.00 N ATOM 327 C2 DC B 5 -2.681 -3.895 1.048 1.00 0.00 C ATOM 328 O2 DC B 5 -3.231 -2.923 1.558 1.00 0.00 O ATOM 329 N3 DC B 5 -2.379 -3.884 -0.282 1.00 0.00 N ATOM 330 C4 DC B 5 -1.781 -4.933 -0.846 1.00 0.00 C ATOM 331 N4 DC B 5 -1.558 -4.880 -2.156 1.00 0.00 N ATOM 332 C5 DC B 5 -1.390 -6.075 -0.079 1.00 0.00 C ATOM 333 C6 DC B 5 -1.762 -6.094 1.225 1.00 0.00 C ATOM 0 H5' DC B 5 0.478 -5.491 4.622 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.066 -6.831 5.611 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.479 -4.953 5.993 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.606 -7.427 5.523 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.787 -7.244 3.126 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.361 -6.667 3.636 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.866 -4.479 3.183 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.103 -5.661 -2.628 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.842 -4.058 -2.689 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.825 -6.884 -0.518 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.509 -6.947 1.837 1.00 0.00 H new ATOM 345 P DG B 6 -4.916 -6.734 6.692 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.316 -6.102 7.968 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.506 -8.156 6.664 1.00 0.00 O ATOM 348 O5' DG B 6 -6.095 -6.523 5.635 1.00 0.00 O ATOM 349 C5' DG B 6 -6.639 -5.236 5.434 1.00 0.00 C ATOM 350 C4' DG B 6 -7.542 -5.275 4.209 1.00 0.00 C ATOM 351 O4' DG B 6 -6.799 -5.717 3.096 1.00 0.00 O ATOM 352 C3' DG B 6 -8.675 -6.265 4.403 1.00 0.00 C ATOM 353 O3' DG B 6 -9.921 -5.609 4.327 1.00 0.00 O ATOM 354 C2' DG B 6 -8.538 -7.235 3.248 1.00 0.00 C ATOM 355 C1' DG B 6 -7.697 -6.435 2.281 1.00 0.00 C ATOM 356 N9 DG B 6 -6.938 -7.322 1.394 1.00 0.00 N ATOM 357 C8 DG B 6 -5.701 -7.830 1.644 1.00 0.00 C ATOM 358 N7 DG B 6 -5.068 -8.257 0.588 1.00 0.00 N ATOM 359 C5 DG B 6 -5.991 -8.056 -0.438 1.00 0.00 C ATOM 360 C6 DG B 6 -5.842 -8.161 -1.853 1.00 0.00 C ATOM 361 O6 DG B 6 -4.826 -8.419 -2.498 1.00 0.00 O ATOM 362 N1 DG B 6 -7.006 -7.848 -2.534 1.00 0.00 N ATOM 363 C2 DG B 6 -8.185 -7.480 -1.934 1.00 0.00 C ATOM 364 N2 DG B 6 -9.251 -7.323 -2.711 1.00 0.00 N ATOM 365 N3 DG B 6 -8.306 -7.266 -0.621 1.00 0.00 N ATOM 366 C4 DG B 6 -7.169 -7.556 0.064 1.00 0.00 C ATOM 0 H5' DG B 6 -5.842 -4.506 5.293 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.205 -4.924 6.311 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.940 -4.272 4.057 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.627 -6.756 5.375 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.049 -8.162 3.547 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.505 -7.507 2.824 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.642 -6.261 4.452 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.312 -5.793 1.651 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.278 -7.876 2.637 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.986 -7.894 -3.553 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.145 -7.050 -2.302 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.176 -7.475 -3.717 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.292 2.060 3.362 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.354 2.542 2.591 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.842 3.284 1.526 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.500 3.485 1.791 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.537 4.327 1.211 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.324 4.535 1.880 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.089 3.889 3.103 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.011 2.957 3.606 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.211 2.800 2.950 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.637 2.227 3.063 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.727 2.987 2.683 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.761 1.336 4.060 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.659 0.866 4.639 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.390 1.191 4.400 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.706 4.205 1.883 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.582 5.158 2.316 1.00 0.00 C HETATM 395 O8 PPZ A 7 10.801 5.738 3.585 1.00 0.00 O HETATM 0 H8 PPZ A 7 9.947 5.819 4.059 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.481 5.950 1.574 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.638 4.613 2.331 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.666 4.713 1.971 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.577 3.946 0.832 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.642 2.661 2.995 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.816 0.114 5.413 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.731 4.812 0.254 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.568 5.194 1.453 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.184 4.112 3.667 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.782 2.371 4.496 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.301 -3.388 0.650 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.262 -3.245 -0.357 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.668 -3.500 -1.594 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.390 -3.962 -1.342 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.392 -4.497 -2.170 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.245 -5.053 -1.590 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.109 -5.058 -0.195 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.077 -4.445 0.616 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.209 -3.932 0.022 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.561 -2.939 0.077 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.638 -3.147 -0.765 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.766 -2.669 1.376 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.742 -2.772 2.221 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.490 -3.150 1.973 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.589 -3.806 -2.060 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.772 -5.102 -1.986 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.563 -6.196 -1.574 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.136 -6.639 -0.811 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.338 -5.315 -2.963 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.943 -4.970 -1.291 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.601 -4.029 -2.397 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.148 -3.135 -2.797 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.547 -2.808 -0.450 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.959 -2.511 3.257 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.508 -4.480 -3.254 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.463 -5.479 -2.219 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.246 -5.541 0.263 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.936 -4.376 1.695 1.00 0.00 H new