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= -0.636 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot 85:sc= 0.594 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.878 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 -152:sc= 1.46 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.634 -0.337 -7.677 1.00 0.00 O ATOM 2 C5' DC A 1 -8.114 -1.393 -8.485 1.00 0.00 C ATOM 3 C4' DC A 1 -9.172 -2.258 -7.788 1.00 0.00 C ATOM 4 O4' DC A 1 -8.553 -3.491 -7.451 1.00 0.00 O ATOM 5 C3' DC A 1 -9.690 -1.653 -6.482 1.00 0.00 C ATOM 6 O3' DC A 1 -10.990 -2.145 -6.229 1.00 0.00 O ATOM 7 C2' DC A 1 -8.678 -2.228 -5.513 1.00 0.00 C ATOM 8 C1' DC A 1 -8.579 -3.648 -6.046 1.00 0.00 C ATOM 9 N1 DC A 1 -7.346 -4.297 -5.567 1.00 0.00 N ATOM 10 C2 DC A 1 -7.433 -5.573 -5.026 1.00 0.00 C ATOM 11 O2 DC A 1 -8.500 -6.184 -5.004 1.00 0.00 O ATOM 12 N3 DC A 1 -6.319 -6.130 -4.467 1.00 0.00 N ATOM 13 C4 DC A 1 -5.157 -5.468 -4.481 1.00 0.00 C ATOM 14 N4 DC A 1 -4.135 -5.967 -3.794 1.00 0.00 N ATOM 15 C5 DC A 1 -5.044 -4.164 -5.050 1.00 0.00 C ATOM 16 C6 DC A 1 -6.162 -3.618 -5.577 1.00 0.00 C ATOM 0 H5' DC A 1 -7.276 -2.024 -8.781 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.539 -0.978 -9.399 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.016 -2.356 -8.471 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.774 -0.567 -6.448 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.724 -1.703 -5.547 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.024 -2.194 -4.480 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.963 0.176 -8.174 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.403 -4.279 -5.714 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.238 -5.481 -3.789 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.247 -6.836 -3.272 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.103 -3.635 -5.059 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.118 -2.631 -6.012 1.00 0.00 H new ATOM 29 P DG A 2 -11.829 -1.747 -4.905 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.963 -1.918 -3.719 1.00 0.00 O ATOM 31 OP2 DG A 2 -13.107 -2.490 -4.968 1.00 0.00 O ATOM 32 O5' DG A 2 -12.185 -0.180 -5.099 1.00 0.00 O ATOM 33 C5' DG A 2 -11.210 0.827 -5.300 1.00 0.00 C ATOM 34 C4' DG A 2 -10.346 1.080 -4.067 1.00 0.00 C ATOM 35 O4' DG A 2 -9.234 0.213 -4.057 1.00 0.00 O ATOM 36 C3' DG A 2 -9.776 2.498 -4.052 1.00 0.00 C ATOM 37 O3' DG A 2 -10.292 3.146 -2.911 1.00 0.00 O ATOM 38 C2' DG A 2 -8.269 2.285 -3.954 1.00 0.00 C ATOM 39 C1' DG A 2 -8.187 0.877 -3.392 1.00 0.00 C ATOM 40 N9 DG A 2 -6.914 0.216 -3.722 1.00 0.00 N ATOM 41 C8 DG A 2 -6.367 -0.013 -4.952 1.00 0.00 C ATOM 42 N7 DG A 2 -5.305 -0.769 -4.943 1.00 0.00 N ATOM 43 C5 DG A 2 -5.125 -1.052 -3.592 1.00 0.00 C ATOM 44 C6 DG A 2 -4.143 -1.852 -2.936 1.00 0.00 C ATOM 45 O6 DG A 2 -3.210 -2.483 -3.434 1.00 0.00 O ATOM 46 N1 DG A 2 -4.325 -1.878 -1.563 1.00 0.00 N ATOM 47 C2 DG A 2 -5.343 -1.241 -0.890 1.00 0.00 C ATOM 48 N2 DG A 2 -5.393 -1.318 0.433 1.00 0.00 N ATOM 49 N3 DG A 2 -6.267 -0.498 -1.497 1.00 0.00 N ATOM 50 C4 DG A 2 -6.104 -0.448 -2.842 1.00 0.00 C ATOM 0 H5' DG A 2 -11.708 1.754 -5.584 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.568 0.542 -6.133 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.995 0.920 -3.206 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.026 3.109 -4.920 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.781 2.366 -4.925 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.795 3.015 -3.298 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.255 0.871 -2.304 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.781 0.399 -5.860 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.654 -2.409 -1.009 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.142 -0.850 0.943 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.682 -1.845 0.940 1.00 0.00 H new ATOM 62 P DA A 3 -9.776 4.599 -2.454 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.878 5.284 -1.743 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.114 5.252 -3.605 1.00 0.00 O ATOM 65 O5' DA A 3 -8.657 4.201 -1.376 1.00 0.00 O ATOM 66 C5' DA A 3 -9.049 3.621 -0.149 1.00 0.00 C ATOM 67 C4' DA A 3 -7.849 3.475 0.781 1.00 0.00 C ATOM 68 O4' DA A 3 -6.942 2.504 0.291 1.00 0.00 O ATOM 69 C3' DA A 3 -7.119 4.807 0.899 1.00 0.00 C ATOM 70 O3' DA A 3 -7.225 5.229 2.241 1.00 0.00 O ATOM 71 C2' DA A 3 -5.705 4.467 0.442 1.00 0.00 C ATOM 72 C1' DA A 3 -5.619 2.948 0.521 1.00 0.00 C ATOM 73 N9 DA A 3 -4.783 2.466 -0.593 1.00 0.00 N ATOM 74 C8 DA A 3 -4.901 2.813 -1.913 1.00 0.00 C ATOM 75 N7 DA A 3 -4.026 2.255 -2.701 1.00 0.00 N ATOM 76 C5 DA A 3 -3.300 1.446 -1.834 1.00 0.00 C ATOM 77 C6 DA A 3 -2.241 0.550 -2.042 1.00 0.00 C ATOM 78 N6 DA A 3 -1.721 0.368 -3.253 1.00 0.00 N ATOM 79 N1 DA A 3 -1.797 -0.192 -1.014 1.00 0.00 N ATOM 80 C2 DA A 3 -2.354 -0.020 0.184 1.00 0.00 C ATOM 81 N3 DA A 3 -3.317 0.836 0.522 1.00 0.00 N ATOM 82 C4 DA A 3 -3.767 1.539 -0.550 1.00 0.00 C ATOM 0 H5' DA A 3 -9.498 2.644 -0.329 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.811 4.240 0.325 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.219 3.159 1.757 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.506 5.634 0.304 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.523 4.820 -0.573 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.959 4.938 1.082 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.205 2.601 1.468 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.658 3.494 -2.272 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.951 -0.288 -3.384 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.092 0.885 -4.050 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.980 -0.651 0.977 1.00 0.00 H new ATOM 94 P DT A 4 -6.299 6.390 2.855 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.972 6.957 4.044 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.828 7.271 1.763 1.00 0.00 O ATOM 97 O5' DT A 4 -5.086 5.472 3.343 1.00 0.00 O ATOM 98 C5' DT A 4 -5.367 4.360 4.166 1.00 0.00 C ATOM 99 C4' DT A 4 -4.117 3.511 4.332 1.00 0.00 C ATOM 100 O4' DT A 4 -3.674 3.053 3.066 1.00 0.00 O ATOM 101 C3' DT A 4 -2.999 4.341 4.955 1.00 0.00 C ATOM 102 O3' DT A 4 -2.512 3.631 6.071 1.00 0.00 O ATOM 103 C2' DT A 4 -1.997 4.426 3.814 1.00 0.00 C ATOM 104 C1' DT A 4 -2.267 3.138 3.070 1.00 0.00 C ATOM 105 N1 DT A 4 -1.728 3.244 1.709 1.00 0.00 N ATOM 106 C2 DT A 4 -0.741 2.346 1.340 1.00 0.00 C ATOM 107 O2 DT A 4 -0.275 1.516 2.114 1.00 0.00 O ATOM 108 N3 DT A 4 -0.291 2.447 0.039 1.00 0.00 N ATOM 109 C4 DT A 4 -0.705 3.373 -0.894 1.00 0.00 C ATOM 110 O4 DT A 4 -0.221 3.370 -2.022 1.00 0.00 O ATOM 111 C5 DT A 4 -1.724 4.290 -0.417 1.00 0.00 C ATOM 112 C7 DT A 4 -2.278 5.344 -1.348 1.00 0.00 C ATOM 113 C6 DT A 4 -2.195 4.199 0.848 1.00 0.00 C ATOM 0 H5' DT A 4 -6.167 3.764 3.726 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.720 4.698 5.140 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.359 2.666 4.976 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.270 5.331 5.321 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.163 5.303 3.188 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.970 4.482 4.175 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.806 2.257 3.517 1.00 0.00 H new ATOM 0 H3 DT A 4 0.414 1.773 -0.260 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.310 5.564 -1.075 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.680 6.252 -1.267 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.244 4.977 -2.374 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.952 4.892 1.184 1.00 0.00 H new ATOM 126 P DC A 5 -1.158 4.059 6.818 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.183 3.526 8.198 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.900 5.494 6.572 1.00 0.00 O ATOM 129 O5' DC A 5 -0.105 3.201 5.969 1.00 0.00 O ATOM 130 C5' DC A 5 -0.159 1.791 6.023 1.00 0.00 C ATOM 131 C4' DC A 5 1.183 1.172 6.423 1.00 0.00 C ATOM 132 O4' DC A 5 2.038 1.020 5.309 1.00 0.00 O ATOM 133 C3' DC A 5 1.952 2.066 7.381 1.00 0.00 C ATOM 134 O3' DC A 5 2.867 1.264 8.093 1.00 0.00 O ATOM 135 C2' DC A 5 2.645 3.024 6.414 1.00 0.00 C ATOM 136 C1' DC A 5 2.790 2.205 5.129 1.00 0.00 C ATOM 137 N1 DC A 5 2.325 2.890 3.898 1.00 0.00 N ATOM 138 C2 DC A 5 2.655 2.293 2.691 1.00 0.00 C ATOM 139 O2 DC A 5 3.210 1.200 2.650 1.00 0.00 O ATOM 140 N3 DC A 5 2.460 2.984 1.534 1.00 0.00 N ATOM 141 C4 DC A 5 1.865 4.177 1.555 1.00 0.00 C ATOM 142 N4 DC A 5 1.775 4.832 0.403 1.00 0.00 N ATOM 143 C5 DC A 5 1.357 4.739 2.767 1.00 0.00 C ATOM 144 C6 DC A 5 1.633 4.071 3.914 1.00 0.00 C ATOM 0 H5' DC A 5 -0.459 1.404 5.049 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.924 1.486 6.737 1.00 0.00 H new ATOM 0 H4' DC A 5 0.929 0.214 6.877 1.00 0.00 H new ATOM 0 H3' DC A 5 1.361 2.591 8.132 1.00 0.00 H new ATOM 0 H2' DC A 5 2.053 3.924 6.250 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.614 3.345 6.795 1.00 0.00 H new ATOM 0 H1' DC A 5 3.854 2.025 4.974 1.00 0.00 H new ATOM 0 H41 DC A 5 1.328 5.748 0.371 1.00 0.00 H new ATOM 0 H42 DC A 5 2.153 4.419 -0.449 1.00 0.00 H new ATOM 0 H5 DC A 5 0.781 5.652 2.769 1.00 0.00 H new ATOM 0 H6 DC A 5 1.301 4.478 4.858 1.00 0.00 H new ATOM 156 P DG A 6 3.873 1.907 9.161 1.00 0.00 P ATOM 157 OP1 DG A 6 4.387 0.831 10.035 1.00 0.00 O ATOM 158 OP2 DG A 6 3.227 3.101 9.751 1.00 0.00 O ATOM 159 O5' DG A 6 5.061 2.393 8.204 1.00 0.00 O ATOM 160 C5' DG A 6 5.916 1.449 7.590 1.00 0.00 C ATOM 161 C4' DG A 6 7.068 2.167 6.884 1.00 0.00 C ATOM 162 O4' DG A 6 6.560 2.879 5.764 1.00 0.00 O ATOM 163 C3' DG A 6 7.663 3.197 7.846 1.00 0.00 C ATOM 164 O3' DG A 6 9.036 3.395 7.588 1.00 0.00 O ATOM 165 C2' DG A 6 6.877 4.409 7.400 1.00 0.00 C ATOM 166 C1' DG A 6 6.938 4.230 5.932 1.00 0.00 C ATOM 167 N9 DG A 6 5.987 5.164 5.330 1.00 0.00 N ATOM 168 C8 DG A 6 4.693 5.313 5.702 1.00 0.00 C ATOM 169 N7 DG A 6 3.976 6.032 4.885 1.00 0.00 N ATOM 170 C5 DG A 6 4.917 6.479 3.955 1.00 0.00 C ATOM 171 C6 DG A 6 4.768 7.259 2.769 1.00 0.00 C ATOM 172 O6 DG A 6 3.734 7.602 2.199 1.00 0.00 O ATOM 173 N1 DG A 6 5.986 7.600 2.203 1.00 0.00 N ATOM 174 C2 DG A 6 7.206 7.251 2.723 1.00 0.00 C ATOM 175 N2 DG A 6 8.282 7.821 2.193 1.00 0.00 N ATOM 176 N3 DG A 6 7.362 6.418 3.755 1.00 0.00 N ATOM 177 C4 DG A 6 6.178 6.057 4.312 1.00 0.00 C ATOM 0 H5' DG A 6 5.355 0.851 6.872 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.310 0.762 8.339 1.00 0.00 H new ATOM 0 H4' DG A 6 7.815 1.437 6.571 1.00 0.00 H new ATOM 0 H3' DG A 6 7.602 2.940 8.904 1.00 0.00 H new ATOM 0 H2' DG A 6 5.855 4.405 7.778 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.333 5.344 7.725 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.394 4.059 8.214 1.00 0.00 H new ATOM 0 H1' DG A 6 7.904 4.428 5.467 1.00 0.00 H new ATOM 0 H8 DG A 6 4.289 4.872 6.601 1.00 0.00 H new ATOM 0 H1 DG A 6 5.974 8.147 1.342 1.00 0.00 H new ATOM 0 H21 DG A 6 9.209 7.590 2.550 1.00 0.00 H new ATOM 0 H22 DG A 6 8.181 8.490 1.429 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 10.557 4.168 -6.284 1.00 0.00 O ATOM 191 C5' DC B 1 9.649 5.171 -5.872 1.00 0.00 C ATOM 192 C4' DC B 1 10.104 5.806 -4.559 1.00 0.00 C ATOM 193 O4' DC B 1 9.104 6.683 -4.061 1.00 0.00 O ATOM 194 C3' DC B 1 10.310 4.704 -3.525 1.00 0.00 C ATOM 195 O3' DC B 1 11.494 4.977 -2.811 1.00 0.00 O ATOM 196 C2' DC B 1 9.075 4.866 -2.662 1.00 0.00 C ATOM 197 C1' DC B 1 8.901 6.378 -2.692 1.00 0.00 C ATOM 198 N1 DC B 1 7.532 6.724 -2.261 1.00 0.00 N ATOM 199 C2 DC B 1 7.356 7.493 -1.116 1.00 0.00 C ATOM 200 O2 DC B 1 8.308 8.046 -0.570 1.00 0.00 O ATOM 201 N3 DC B 1 6.106 7.587 -0.568 1.00 0.00 N ATOM 202 C4 DC B 1 5.068 6.983 -1.161 1.00 0.00 C ATOM 203 N4 DC B 1 3.907 6.918 -0.522 1.00 0.00 N ATOM 204 C5 DC B 1 5.223 6.234 -2.363 1.00 0.00 C ATOM 205 C6 DC B 1 6.469 6.129 -2.871 1.00 0.00 C ATOM 0 H5' DC B 1 8.655 4.740 -5.748 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.571 5.937 -6.644 1.00 0.00 H new ATOM 0 H4' DC B 1 11.026 6.360 -4.739 1.00 0.00 H new ATOM 0 H3' DC B 1 10.419 3.693 -3.918 1.00 0.00 H new ATOM 0 H2' DC B 1 8.212 4.343 -3.074 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.225 4.487 -1.651 1.00 0.00 H new ATOM 0 HO5' DC B 1 10.248 3.772 -7.125 1.00 0.00 H new ATOM 0 H1' DC B 1 9.575 6.925 -2.033 1.00 0.00 H new ATOM 0 H41 DC B 1 3.108 6.461 -0.961 1.00 0.00 H new ATOM 0 H42 DC B 1 3.814 7.325 0.409 1.00 0.00 H new ATOM 0 H5 DC B 1 4.378 5.769 -2.848 1.00 0.00 H new ATOM 0 H6 DC B 1 6.626 5.563 -3.777 1.00 0.00 H new ATOM 218 P DG B 2 12.277 3.827 -1.994 1.00 0.00 P ATOM 219 OP1 DG B 2 11.336 3.152 -1.076 1.00 0.00 O ATOM 220 OP2 DG B 2 13.499 4.448 -1.435 1.00 0.00 O ATOM 221 O5' DG B 2 12.755 2.786 -3.144 1.00 0.00 O ATOM 222 C5' DG B 2 11.865 2.124 -4.026 1.00 0.00 C ATOM 223 C4' DG B 2 10.881 1.209 -3.299 1.00 0.00 C ATOM 224 O4' DG B 2 9.729 1.932 -2.935 1.00 0.00 O ATOM 225 C3' DG B 2 10.399 0.048 -4.167 1.00 0.00 C ATOM 226 O3' DG B 2 10.849 -1.130 -3.536 1.00 0.00 O ATOM 227 C2' DG B 2 8.877 0.178 -4.133 1.00 0.00 C ATOM 228 C1' DG B 2 8.664 1.018 -2.887 1.00 0.00 C ATOM 229 N9 DG B 2 7.404 1.772 -2.916 1.00 0.00 N ATOM 230 C8 DG B 2 7.003 2.735 -3.797 1.00 0.00 C ATOM 231 N7 DG B 2 5.879 3.317 -3.486 1.00 0.00 N ATOM 232 C5 DG B 2 5.519 2.711 -2.283 1.00 0.00 C ATOM 233 C6 DG B 2 4.429 2.959 -1.393 1.00 0.00 C ATOM 234 O6 DG B 2 3.515 3.782 -1.496 1.00 0.00 O ATOM 235 N1 DG B 2 4.476 2.150 -0.268 1.00 0.00 N ATOM 236 C2 DG B 2 5.499 1.274 0.026 1.00 0.00 C ATOM 237 N2 DG B 2 5.452 0.547 1.134 1.00 0.00 N ATOM 238 N3 DG B 2 6.520 1.044 -0.793 1.00 0.00 N ATOM 239 C4 DG B 2 6.469 1.787 -1.922 1.00 0.00 C ATOM 0 H5' DG B 2 12.440 1.536 -4.741 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.309 2.866 -4.598 1.00 0.00 H new ATOM 0 H4' DG B 2 11.420 0.821 -2.435 1.00 0.00 H new ATOM 0 H3' DG B 2 10.757 0.038 -5.196 1.00 0.00 H new ATOM 0 H2' DG B 2 8.488 0.667 -5.027 1.00 0.00 H new ATOM 0 H2'' DG B 2 8.385 -0.792 -4.061 1.00 0.00 H new ATOM 0 H1' DG B 2 8.622 0.394 -1.994 1.00 0.00 H new ATOM 0 H8 DG B 2 7.570 2.993 -4.679 1.00 0.00 H new ATOM 0 H1 DG B 2 3.698 2.207 0.389 1.00 0.00 H new ATOM 0 H21 DG B 2 6.209 -0.101 1.351 1.00 0.00 H new ATOM 0 H22 DG B 2 4.659 0.636 1.769 1.00 0.00 H new ATOM 251 P DA B 3 10.342 -2.585 -3.989 1.00 0.00 P ATOM 252 OP1 DA B 3 11.345 -3.584 -3.560 1.00 0.00 O ATOM 253 OP2 DA B 3 9.913 -2.519 -5.403 1.00 0.00 O ATOM 254 O5' DA B 3 9.043 -2.746 -3.060 1.00 0.00 O ATOM 255 C5' DA B 3 9.198 -2.860 -1.661 1.00 0.00 C ATOM 256 C4' DA B 3 7.879 -3.263 -1.007 1.00 0.00 C ATOM 257 O4' DA B 3 6.962 -2.187 -0.967 1.00 0.00 O ATOM 258 C3' DA B 3 7.240 -4.400 -1.794 1.00 0.00 C ATOM 259 O3' DA B 3 7.295 -5.556 -0.987 1.00 0.00 O ATOM 260 C2' DA B 3 5.836 -3.876 -2.082 1.00 0.00 C ATOM 261 C1' DA B 3 5.655 -2.701 -1.131 1.00 0.00 C ATOM 262 N9 DA B 3 4.846 -1.672 -1.805 1.00 0.00 N ATOM 263 C8 DA B 3 5.065 -1.152 -3.052 1.00 0.00 C ATOM 264 N7 DA B 3 4.193 -0.258 -3.426 1.00 0.00 N ATOM 265 C5 DA B 3 3.362 -0.149 -2.316 1.00 0.00 C ATOM 266 C6 DA B 3 2.260 0.673 -2.030 1.00 0.00 C ATOM 267 N6 DA B 3 1.768 1.521 -2.928 1.00 0.00 N ATOM 268 N1 DA B 3 1.730 0.650 -0.798 1.00 0.00 N ATOM 269 C2 DA B 3 2.241 -0.185 0.104 1.00 0.00 C ATOM 270 N3 DA B 3 3.232 -1.056 -0.060 1.00 0.00 N ATOM 271 C4 DA B 3 3.770 -0.978 -1.305 1.00 0.00 C ATOM 0 H5' DA B 3 9.540 -1.911 -1.249 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.965 -3.601 -1.433 1.00 0.00 H new ATOM 0 H4' DA B 3 8.106 -3.573 0.013 1.00 0.00 H new ATOM 0 H3' DA B 3 7.721 -4.682 -2.731 1.00 0.00 H new ATOM 0 H2' DA B 3 5.737 -3.562 -3.121 1.00 0.00 H new ATOM 0 H2'' DA B 3 5.084 -4.645 -1.908 1.00 0.00 H new ATOM 0 H1' DA B 3 5.176 -2.983 -0.193 1.00 0.00 H new ATOM 0 H8 DA B 3 5.893 -1.457 -3.675 1.00 0.00 H new ATOM 0 H61 DA B 3 0.966 2.106 -2.692 1.00 0.00 H new ATOM 0 H62 DA B 3 2.192 1.587 -3.853 1.00 0.00 H new ATOM 0 H2 DA B 3 1.797 -0.151 1.088 1.00 0.00 H new ATOM 283 P DT B 4 6.387 -6.849 -1.271 1.00 0.00 P ATOM 284 OP1 DT B 4 6.995 -8.015 -0.593 1.00 0.00 O ATOM 285 OP2 DT B 4 6.047 -6.906 -2.710 1.00 0.00 O ATOM 286 O5' DT B 4 5.096 -6.393 -0.443 1.00 0.00 O ATOM 287 C5' DT B 4 5.267 -5.998 0.901 1.00 0.00 C ATOM 288 C4' DT B 4 3.972 -5.430 1.464 1.00 0.00 C ATOM 289 O4' DT B 4 3.563 -4.309 0.699 1.00 0.00 O ATOM 290 C3' DT B 4 2.866 -6.479 1.391 1.00 0.00 C ATOM 291 O3' DT B 4 2.238 -6.560 2.649 1.00 0.00 O ATOM 292 C2' DT B 4 1.941 -5.890 0.342 1.00 0.00 C ATOM 293 C1' DT B 4 2.164 -4.410 0.553 1.00 0.00 C ATOM 294 N1 DT B 4 1.687 -3.681 -0.628 1.00 0.00 N ATOM 295 C2 DT B 4 0.673 -2.756 -0.441 1.00 0.00 C ATOM 296 O2 DT B 4 0.159 -2.550 0.654 1.00 0.00 O ATOM 297 N3 DT B 4 0.263 -2.072 -1.568 1.00 0.00 N ATOM 298 C4 DT B 4 0.769 -2.236 -2.841 1.00 0.00 C ATOM 299 O4 DT B 4 0.330 -1.564 -3.768 1.00 0.00 O ATOM 300 C5 DT B 4 1.828 -3.224 -2.947 1.00 0.00 C ATOM 301 C7 DT B 4 2.498 -3.471 -4.278 1.00 0.00 C ATOM 302 C6 DT B 4 2.246 -3.906 -1.855 1.00 0.00 C ATOM 0 H5' DT B 4 6.057 -5.250 0.968 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.585 -6.852 1.499 1.00 0.00 H new ATOM 0 H4' DT B 4 4.148 -5.138 2.499 1.00 0.00 H new ATOM 0 H3' DT B 4 3.194 -7.489 1.143 1.00 0.00 H new ATOM 0 H2' DT B 4 2.207 -6.207 -0.666 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.902 -6.177 0.502 1.00 0.00 H new ATOM 0 H1' DT B 4 1.635 -3.992 1.409 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.480 -1.384 -1.449 1.00 0.00 H new ATOM 0 H71 DT B 4 3.529 -3.784 -4.114 1.00 0.00 H new ATOM 0 H72 DT B 4 1.963 -4.254 -4.815 1.00 0.00 H new ATOM 0 H73 DT B 4 2.486 -2.554 -4.867 1.00 0.00 H new ATOM 0 H6 DT B 4 3.033 -4.639 -1.955 1.00 0.00 H new ATOM 315 P DC B 5 1.098 -7.655 2.939 1.00 0.00 P ATOM 316 OP1 DC B 5 1.398 -8.313 4.229 1.00 0.00 O ATOM 317 OP2 DC B 5 0.897 -8.468 1.719 1.00 0.00 O ATOM 318 O5' DC B 5 -0.202 -6.736 3.137 1.00 0.00 O ATOM 319 C5' DC B 5 -0.297 -5.895 4.267 1.00 0.00 C ATOM 320 C4' DC B 5 -1.744 -5.502 4.576 1.00 0.00 C ATOM 321 O4' DC B 5 -2.235 -4.550 3.648 1.00 0.00 O ATOM 322 C3' DC B 5 -2.650 -6.723 4.482 1.00 0.00 C ATOM 323 O3' DC B 5 -3.762 -6.550 5.330 1.00 0.00 O ATOM 324 C2' DC B 5 -3.025 -6.678 3.008 1.00 0.00 C ATOM 325 C1' DC B 5 -2.974 -5.209 2.638 1.00 0.00 C ATOM 326 N1 DC B 5 -2.350 -4.990 1.315 1.00 0.00 N ATOM 327 C2 DC B 5 -2.639 -3.799 0.669 1.00 0.00 C ATOM 328 O2 DC B 5 -3.223 -2.883 1.244 1.00 0.00 O ATOM 329 N3 DC B 5 -2.368 -3.691 -0.659 1.00 0.00 N ATOM 330 C4 DC B 5 -1.731 -4.669 -1.302 1.00 0.00 C ATOM 331 N4 DC B 5 -1.522 -4.508 -2.604 1.00 0.00 N ATOM 332 C5 DC B 5 -1.284 -5.847 -0.624 1.00 0.00 C ATOM 333 C6 DC B 5 -1.640 -5.970 0.678 1.00 0.00 C ATOM 0 H5' DC B 5 0.294 -4.995 4.098 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.133 -6.401 5.131 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.748 -5.079 5.581 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.211 -7.673 4.786 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.329 -7.262 2.405 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.019 -7.094 2.840 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.987 -4.814 2.567 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.038 -5.231 -3.136 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.845 -3.661 -3.071 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.693 -6.600 -1.124 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.358 -6.859 1.223 1.00 0.00 H new ATOM 345 P DG B 6 -4.740 -7.778 5.685 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.856 -7.875 7.156 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.332 -8.957 4.890 1.00 0.00 O ATOM 348 O5' DG B 6 -6.129 -7.237 5.102 1.00 0.00 O ATOM 349 C5' DG B 6 -6.682 -6.047 5.623 1.00 0.00 C ATOM 350 C4' DG B 6 -7.810 -5.542 4.728 1.00 0.00 C ATOM 351 O4' DG B 6 -7.318 -5.482 3.404 1.00 0.00 O ATOM 352 C3' DG B 6 -9.005 -6.487 4.749 1.00 0.00 C ATOM 353 O3' DG B 6 -10.203 -5.750 4.648 1.00 0.00 O ATOM 354 C2' DG B 6 -8.830 -7.310 3.494 1.00 0.00 C ATOM 355 C1' DG B 6 -8.072 -6.358 2.588 1.00 0.00 C ATOM 356 N9 DG B 6 -7.159 -7.121 1.732 1.00 0.00 N ATOM 357 C8 DG B 6 -5.904 -7.536 2.060 1.00 0.00 C ATOM 358 N7 DG B 6 -5.170 -7.888 1.043 1.00 0.00 N ATOM 359 C5 DG B 6 -6.038 -7.748 -0.040 1.00 0.00 C ATOM 360 C6 DG B 6 -5.787 -7.845 -1.441 1.00 0.00 C ATOM 361 O6 DG B 6 -4.721 -8.056 -2.018 1.00 0.00 O ATOM 362 N1 DG B 6 -6.916 -7.595 -2.199 1.00 0.00 N ATOM 363 C2 DG B 6 -8.155 -7.321 -1.681 1.00 0.00 C ATOM 364 N2 DG B 6 -9.176 -7.259 -2.528 1.00 0.00 N ATOM 365 N3 DG B 6 -8.397 -7.138 -0.376 1.00 0.00 N ATOM 366 C4 DG B 6 -7.284 -7.345 0.385 1.00 0.00 C ATOM 0 H5' DG B 6 -5.907 -5.285 5.705 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.061 -6.226 6.629 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.135 -4.566 5.089 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.055 -7.082 5.661 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.269 -8.225 3.683 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.787 -7.605 3.064 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.967 -6.364 4.660 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.767 -5.798 1.963 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.547 -7.570 3.079 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.820 -7.616 -3.214 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.114 -7.058 -2.182 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.022 -7.413 -3.524 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.614 2.641 2.800 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.623 3.258 2.054 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.053 3.931 0.973 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.687 3.905 1.165 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.636 4.591 0.537 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.371 4.590 1.136 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.161 3.846 2.307 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.201 3.099 2.879 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.450 3.170 2.305 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.919 3.160 2.582 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.859 4.101 2.209 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.129 2.383 3.657 1.00 0.00 N HETATM 391 C2 PPZ A 7 10.084 1.779 4.221 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.797 1.865 3.898 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.564 5.298 1.437 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.366 6.035 2.054 1.00 0.00 C HETATM 395 O8 PPZ A 7 10.773 6.916 3.080 1.00 0.00 O HETATM 0 H8 PPZ A 7 11.042 7.773 2.688 1.00 0.00 H new HETATM 0 H72 PPZ A 7 9.843 6.595 1.279 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.658 5.309 2.455 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.435 5.953 1.418 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.344 5.030 0.404 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.826 3.946 2.494 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.316 1.125 5.062 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.802 5.117 -0.403 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.555 5.163 0.696 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.178 3.849 2.778 1.00 0.00 H new HETATM 0 H10 PPZ A 7 6.025 2.477 3.757 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.543 -3.179 1.010 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.535 -3.102 0.028 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.943 -3.242 -1.229 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.637 -3.641 -1.011 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.632 -4.110 -1.871 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.474 -4.676 -1.322 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.335 -4.754 0.072 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.307 -4.200 0.919 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.445 -3.670 0.352 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.848 -2.968 0.505 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.918 -3.358 -0.276 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.041 -2.716 1.810 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.988 -2.710 2.625 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.714 -2.966 2.339 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.850 -4.069 -1.545 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.790 -5.179 -1.518 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.096 -6.230 -0.624 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.266 -6.648 -0.314 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.678 -5.588 -2.522 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.829 -4.746 -1.241 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.824 -4.502 -1.772 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.619 -3.365 -2.345 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.849 -3.125 0.070 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.198 -2.462 3.666 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.751 -4.035 -2.952 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.686 -5.053 -1.974 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.464 -5.249 0.501 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.165 -4.189 2.000 1.00 0.00 H new