USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=8 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 USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.487 (180deg=-3.21!) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -120:sc= 0.669 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.966 (180deg=-3.66!) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -126:sc= 0.564 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.652 -4.852 -10.031 1.00 0.00 O ATOM 2 C5' DC A 1 -8.635 -4.059 -9.455 1.00 0.00 C ATOM 3 C4' DC A 1 -9.117 -3.432 -8.150 1.00 0.00 C ATOM 4 O4' DC A 1 -9.176 -4.401 -7.124 1.00 0.00 O ATOM 5 C3' DC A 1 -8.143 -2.358 -7.703 1.00 0.00 C ATOM 6 O3' DC A 1 -8.501 -1.138 -8.311 1.00 0.00 O ATOM 7 C2' DC A 1 -8.342 -2.375 -6.195 1.00 0.00 C ATOM 8 C1' DC A 1 -8.711 -3.835 -5.911 1.00 0.00 C ATOM 9 N1 DC A 1 -7.496 -4.552 -5.481 1.00 0.00 N ATOM 10 C2 DC A 1 -7.617 -5.781 -4.842 1.00 0.00 C ATOM 11 O2 DC A 1 -8.712 -6.315 -4.671 1.00 0.00 O ATOM 12 N3 DC A 1 -6.492 -6.380 -4.354 1.00 0.00 N ATOM 13 C4 DC A 1 -5.296 -5.794 -4.491 1.00 0.00 C ATOM 14 N4 DC A 1 -4.249 -6.327 -3.872 1.00 0.00 N ATOM 15 C5 DC A 1 -5.164 -4.519 -5.116 1.00 0.00 C ATOM 16 C6 DC A 1 -6.280 -3.946 -5.594 1.00 0.00 C ATOM 0 H5' DC A 1 -8.338 -3.276 -10.153 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.752 -4.670 -9.267 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.107 -3.012 -8.329 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.098 -2.507 -7.973 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.437 -2.077 -5.665 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.132 -1.692 -5.885 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.326 -5.245 -10.868 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.473 -3.904 -5.135 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.329 -5.896 -3.963 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.365 -7.167 -3.305 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.203 -4.033 -5.201 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.213 -2.983 -6.079 1.00 0.00 H new ATOM 29 P DG A 2 -7.538 0.147 -8.255 1.00 0.00 P ATOM 30 OP1 DG A 2 -8.002 1.123 -9.264 1.00 0.00 O ATOM 31 OP2 DG A 2 -6.135 -0.321 -8.263 1.00 0.00 O ATOM 32 O5' DG A 2 -7.859 0.738 -6.802 1.00 0.00 O ATOM 33 C5' DG A 2 -9.181 1.094 -6.461 1.00 0.00 C ATOM 34 C4' DG A 2 -9.245 1.625 -5.029 1.00 0.00 C ATOM 35 O4' DG A 2 -8.715 0.655 -4.136 1.00 0.00 O ATOM 36 C3' DG A 2 -8.405 2.891 -4.905 1.00 0.00 C ATOM 37 O3' DG A 2 -8.957 3.743 -3.927 1.00 0.00 O ATOM 38 C2' DG A 2 -7.068 2.319 -4.479 1.00 0.00 C ATOM 39 C1' DG A 2 -7.448 1.089 -3.664 1.00 0.00 C ATOM 40 N9 DG A 2 -6.419 0.051 -3.871 1.00 0.00 N ATOM 41 C8 DG A 2 -5.809 -0.303 -5.041 1.00 0.00 C ATOM 42 N7 DG A 2 -4.906 -1.236 -4.923 1.00 0.00 N ATOM 43 C5 DG A 2 -4.887 -1.497 -3.555 1.00 0.00 C ATOM 44 C6 DG A 2 -4.063 -2.378 -2.790 1.00 0.00 C ATOM 45 O6 DG A 2 -3.200 -3.165 -3.187 1.00 0.00 O ATOM 46 N1 DG A 2 -4.317 -2.291 -1.433 1.00 0.00 N ATOM 47 C2 DG A 2 -5.268 -1.472 -0.865 1.00 0.00 C ATOM 48 N2 DG A 2 -5.394 -1.450 0.456 1.00 0.00 N ATOM 49 N3 DG A 2 -6.043 -0.646 -1.571 1.00 0.00 N ATOM 50 C4 DG A 2 -5.806 -0.706 -2.906 1.00 0.00 C ATOM 0 H5' DG A 2 -9.834 0.227 -6.562 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.549 1.852 -7.152 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.285 1.840 -4.784 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.344 3.500 -5.807 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.452 2.056 -5.339 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.497 3.033 -3.885 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.505 1.302 -2.597 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.055 0.154 -5.988 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.761 -2.875 -0.809 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.093 -0.849 0.892 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.791 -2.034 1.036 1.00 0.00 H new ATOM 62 P DA A 3 -8.210 5.099 -3.488 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.230 6.139 -3.231 1.00 0.00 O ATOM 64 OP2 DA A 3 -7.096 5.362 -4.425 1.00 0.00 O ATOM 65 O5' DA A 3 -7.593 4.644 -2.082 1.00 0.00 O ATOM 66 C5' DA A 3 -8.475 4.333 -1.026 1.00 0.00 C ATOM 67 C4' DA A 3 -7.728 4.127 0.288 1.00 0.00 C ATOM 68 O4' DA A 3 -6.943 2.947 0.223 1.00 0.00 O ATOM 69 C3' DA A 3 -6.819 5.315 0.567 1.00 0.00 C ATOM 70 O3' DA A 3 -6.832 5.576 1.952 1.00 0.00 O ATOM 71 C2' DA A 3 -5.489 4.791 0.061 1.00 0.00 C ATOM 72 C1' DA A 3 -5.569 3.284 0.264 1.00 0.00 C ATOM 73 N9 DA A 3 -4.859 2.638 -0.854 1.00 0.00 N ATOM 74 C8 DA A 3 -4.961 2.935 -2.188 1.00 0.00 C ATOM 75 N7 DA A 3 -4.149 2.267 -2.958 1.00 0.00 N ATOM 76 C5 DA A 3 -3.463 1.460 -2.058 1.00 0.00 C ATOM 77 C6 DA A 3 -2.450 0.505 -2.221 1.00 0.00 C ATOM 78 N6 DA A 3 -1.952 0.217 -3.421 1.00 0.00 N ATOM 79 N1 DA A 3 -2.011 -0.176 -1.151 1.00 0.00 N ATOM 80 C2 DA A 3 -2.542 0.095 0.040 1.00 0.00 C ATOM 81 N3 DA A 3 -3.473 0.998 0.333 1.00 0.00 N ATOM 82 C4 DA A 3 -3.907 1.650 -0.776 1.00 0.00 C ATOM 0 H5' DA A 3 -9.034 3.431 -1.272 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.202 5.137 -0.910 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.460 4.034 1.090 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.091 6.261 0.099 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.337 5.042 -0.989 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.656 5.222 0.616 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.123 2.964 1.206 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.659 3.665 -2.571 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.215 -0.482 -3.513 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.307 0.695 -4.249 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.171 -0.490 0.869 1.00 0.00 H new ATOM 94 P DT A 4 -5.722 6.499 2.662 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.340 7.192 3.812 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.985 7.263 1.630 1.00 0.00 O ATOM 97 O5' DT A 4 -4.767 5.342 3.218 1.00 0.00 O ATOM 98 C5' DT A 4 -5.326 4.341 4.044 1.00 0.00 C ATOM 99 C4' DT A 4 -4.287 3.285 4.400 1.00 0.00 C ATOM 100 O4' DT A 4 -3.739 2.761 3.204 1.00 0.00 O ATOM 101 C3' DT A 4 -3.158 3.932 5.196 1.00 0.00 C ATOM 102 O3' DT A 4 -2.655 2.998 6.121 1.00 0.00 O ATOM 103 C2' DT A 4 -2.146 4.200 4.097 1.00 0.00 C ATOM 104 C1' DT A 4 -2.342 2.956 3.246 1.00 0.00 C ATOM 105 N1 DT A 4 -1.816 3.174 1.891 1.00 0.00 N ATOM 106 C2 DT A 4 -0.862 2.282 1.425 1.00 0.00 C ATOM 107 O2 DT A 4 -0.412 1.376 2.120 1.00 0.00 O ATOM 108 N3 DT A 4 -0.434 2.475 0.126 1.00 0.00 N ATOM 109 C4 DT A 4 -0.873 3.463 -0.729 1.00 0.00 C ATOM 110 O4 DT A 4 -0.447 3.519 -1.877 1.00 0.00 O ATOM 111 C5 DT A 4 -1.858 4.362 -0.157 1.00 0.00 C ATOM 112 C7 DT A 4 -2.387 5.510 -0.983 1.00 0.00 C ATOM 113 C6 DT A 4 -2.295 4.192 1.112 1.00 0.00 C ATOM 0 H5' DT A 4 -6.167 3.871 3.534 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.718 4.793 4.955 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.757 2.496 4.987 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.434 4.818 5.768 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.360 5.117 3.549 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.129 4.287 4.480 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.817 2.092 3.654 1.00 0.00 H new ATOM 0 H3 DT A 4 0.269 1.829 -0.232 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.620 5.837 -1.685 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.269 5.185 -1.535 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.655 6.338 -0.326 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.033 4.870 1.516 1.00 0.00 H new ATOM 126 P DC A 5 -1.637 3.448 7.278 1.00 0.00 P ATOM 127 OP1 DC A 5 -2.411 3.730 8.506 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.713 4.466 6.727 1.00 0.00 O ATOM 129 O5' DC A 5 -0.797 2.103 7.487 1.00 0.00 O ATOM 130 C5' DC A 5 -0.123 1.541 6.387 1.00 0.00 C ATOM 131 C4' DC A 5 1.123 0.798 6.853 1.00 0.00 C ATOM 132 O4' DC A 5 1.980 0.606 5.747 1.00 0.00 O ATOM 133 C3' DC A 5 1.916 1.682 7.805 1.00 0.00 C ATOM 134 O3' DC A 5 2.789 0.888 8.577 1.00 0.00 O ATOM 135 C2' DC A 5 2.681 2.585 6.844 1.00 0.00 C ATOM 136 C1' DC A 5 2.692 1.812 5.522 1.00 0.00 C ATOM 137 N1 DC A 5 2.096 2.594 4.407 1.00 0.00 N ATOM 138 C2 DC A 5 2.416 2.192 3.117 1.00 0.00 C ATOM 139 O2 DC A 5 3.020 1.143 2.912 1.00 0.00 O ATOM 140 N3 DC A 5 2.156 3.033 2.075 1.00 0.00 N ATOM 141 C4 DC A 5 1.539 4.196 2.280 1.00 0.00 C ATOM 142 N4 DC A 5 1.370 4.996 1.234 1.00 0.00 N ATOM 143 C5 DC A 5 1.112 4.597 3.585 1.00 0.00 C ATOM 144 C6 DC A 5 1.424 3.772 4.614 1.00 0.00 C ATOM 0 H5' DC A 5 0.155 2.325 5.683 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.786 0.857 5.857 1.00 0.00 H new ATOM 0 H4' DC A 5 0.812 -0.137 7.318 1.00 0.00 H new ATOM 0 H3' DC A 5 1.310 2.239 8.520 1.00 0.00 H new ATOM 0 H2' DC A 5 2.192 3.553 6.734 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.693 2.778 7.200 1.00 0.00 H new ATOM 0 H1' DC A 5 3.718 1.608 5.216 1.00 0.00 H new ATOM 0 H41 DC A 5 0.902 5.895 1.350 1.00 0.00 H new ATOM 0 H42 DC A 5 1.708 4.712 0.315 1.00 0.00 H new ATOM 0 H5 DC A 5 0.566 5.515 3.743 1.00 0.00 H new ATOM 0 H6 DC A 5 1.138 4.048 5.618 1.00 0.00 H new ATOM 156 P DG A 6 3.677 1.540 9.748 1.00 0.00 P ATOM 157 OP1 DG A 6 4.219 0.448 10.587 1.00 0.00 O ATOM 158 OP2 DG A 6 2.898 2.635 10.367 1.00 0.00 O ATOM 159 O5' DG A 6 4.888 2.182 8.914 1.00 0.00 O ATOM 160 C5' DG A 6 5.774 1.340 8.208 1.00 0.00 C ATOM 161 C4' DG A 6 6.820 2.158 7.455 1.00 0.00 C ATOM 162 O4' DG A 6 6.215 3.036 6.531 1.00 0.00 O ATOM 163 C3' DG A 6 7.664 3.011 8.383 1.00 0.00 C ATOM 164 O3' DG A 6 9.005 2.579 8.351 1.00 0.00 O ATOM 165 C2' DG A 6 7.569 4.406 7.793 1.00 0.00 C ATOM 166 C1' DG A 6 7.104 4.123 6.381 1.00 0.00 C ATOM 167 N9 DG A 6 6.368 5.271 5.830 1.00 0.00 N ATOM 168 C8 DG A 6 5.055 5.568 6.047 1.00 0.00 C ATOM 169 N7 DG A 6 4.553 6.448 5.228 1.00 0.00 N ATOM 170 C5 DG A 6 5.636 6.783 4.418 1.00 0.00 C ATOM 171 C6 DG A 6 5.691 7.572 3.231 1.00 0.00 C ATOM 172 O6 DG A 6 4.767 8.127 2.638 1.00 0.00 O ATOM 173 N1 DG A 6 6.961 7.622 2.685 1.00 0.00 N ATOM 174 C2 DG A 6 8.066 7.019 3.230 1.00 0.00 C ATOM 175 N2 DG A 6 9.241 7.261 2.661 1.00 0.00 N ATOM 176 N3 DG A 6 8.014 6.201 4.287 1.00 0.00 N ATOM 177 C4 DG A 6 6.767 6.110 4.820 1.00 0.00 C ATOM 0 H5' DG A 6 5.214 0.724 7.505 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.269 0.661 8.903 1.00 0.00 H new ATOM 0 H4' DG A 6 7.449 1.426 6.947 1.00 0.00 H new ATOM 0 H3' DG A 6 7.327 2.960 9.418 1.00 0.00 H new ATOM 0 H2' DG A 6 6.861 5.031 8.337 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.529 4.922 7.810 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.543 3.136 8.952 1.00 0.00 H new ATOM 0 H1' DG A 6 7.937 3.923 5.708 1.00 0.00 H new ATOM 0 H8 DG A 6 4.477 5.110 6.836 1.00 0.00 H new ATOM 0 H1 DG A 6 7.084 8.143 1.817 1.00 0.00 H new ATOM 0 H21 DG A 6 10.087 6.832 3.036 1.00 0.00 H new ATOM 0 H22 DG A 6 9.297 7.876 1.849 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 8.526 9.273 -4.808 1.00 0.00 O ATOM 191 C5' DC B 1 8.603 7.864 -4.920 1.00 0.00 C ATOM 192 C4' DC B 1 9.902 7.303 -4.339 1.00 0.00 C ATOM 193 O4' DC B 1 9.830 7.282 -2.927 1.00 0.00 O ATOM 194 C3' DC B 1 10.043 5.842 -4.743 1.00 0.00 C ATOM 195 O3' DC B 1 11.369 5.423 -4.499 1.00 0.00 O ATOM 196 C2' DC B 1 9.058 5.212 -3.770 1.00 0.00 C ATOM 197 C1' DC B 1 9.215 6.074 -2.511 1.00 0.00 C ATOM 198 N1 DC B 1 7.909 6.363 -1.868 1.00 0.00 N ATOM 199 C2 DC B 1 7.900 7.032 -0.646 1.00 0.00 C ATOM 200 O2 DC B 1 8.943 7.358 -0.083 1.00 0.00 O ATOM 201 N3 DC B 1 6.704 7.305 -0.047 1.00 0.00 N ATOM 202 C4 DC B 1 5.556 6.952 -0.637 1.00 0.00 C ATOM 203 N4 DC B 1 4.420 7.114 0.032 1.00 0.00 N ATOM 204 C5 DC B 1 5.542 6.247 -1.875 1.00 0.00 C ATOM 205 C6 DC B 1 6.734 5.976 -2.449 1.00 0.00 C ATOM 0 H5' DC B 1 8.526 7.581 -5.970 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.754 7.414 -4.405 1.00 0.00 H new ATOM 0 H4' DC B 1 10.724 7.922 -4.699 1.00 0.00 H new ATOM 0 H3' DC B 1 9.850 5.601 -5.788 1.00 0.00 H new ATOM 0 H2' DC B 1 8.038 5.240 -4.154 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.296 4.166 -3.575 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.681 9.586 -5.193 1.00 0.00 H new ATOM 0 H1' DC B 1 9.813 5.546 -1.769 1.00 0.00 H new ATOM 0 H41 DC B 1 3.533 6.852 -0.398 1.00 0.00 H new ATOM 0 H42 DC B 1 4.435 7.501 0.976 1.00 0.00 H new ATOM 0 H5 DC B 1 4.615 5.941 -2.336 1.00 0.00 H new ATOM 0 H6 DC B 1 6.759 5.442 -3.387 1.00 0.00 H new ATOM 218 P DG B 2 11.981 4.130 -5.234 1.00 0.00 P ATOM 219 OP1 DG B 2 13.399 3.996 -4.833 1.00 0.00 O ATOM 220 OP2 DG B 2 11.622 4.210 -6.668 1.00 0.00 O ATOM 221 O5' DG B 2 11.158 2.924 -4.573 1.00 0.00 O ATOM 222 C5' DG B 2 10.428 2.029 -5.382 1.00 0.00 C ATOM 223 C4' DG B 2 9.498 1.217 -4.491 1.00 0.00 C ATOM 224 O4' DG B 2 8.562 2.069 -3.871 1.00 0.00 O ATOM 225 C3' DG B 2 8.672 0.204 -5.279 1.00 0.00 C ATOM 226 O3' DG B 2 9.283 -1.064 -5.189 1.00 0.00 O ATOM 227 C2' DG B 2 7.310 0.248 -4.591 1.00 0.00 C ATOM 228 C1' DG B 2 7.513 1.234 -3.448 1.00 0.00 C ATOM 229 N9 DG B 2 6.319 2.052 -3.184 1.00 0.00 N ATOM 230 C8 DG B 2 5.729 2.997 -3.980 1.00 0.00 C ATOM 231 N7 DG B 2 4.760 3.653 -3.401 1.00 0.00 N ATOM 232 C5 DG B 2 4.701 3.096 -2.124 1.00 0.00 C ATOM 233 C6 DG B 2 3.874 3.412 -1.001 1.00 0.00 C ATOM 234 O6 DG B 2 3.031 4.303 -0.892 1.00 0.00 O ATOM 235 N1 DG B 2 4.114 2.575 0.078 1.00 0.00 N ATOM 236 C2 DG B 2 5.102 1.619 0.125 1.00 0.00 C ATOM 237 N2 DG B 2 5.245 0.890 1.225 1.00 0.00 N ATOM 238 N3 DG B 2 5.909 1.350 -0.902 1.00 0.00 N ATOM 239 C4 DG B 2 5.651 2.114 -1.992 1.00 0.00 C ATOM 0 H5' DG B 2 11.106 1.369 -5.923 1.00 0.00 H new ATOM 0 H5'' DG B 2 9.853 2.577 -6.129 1.00 0.00 H new ATOM 0 H4' DG B 2 10.141 0.704 -3.776 1.00 0.00 H new ATOM 0 H3' DG B 2 8.587 0.417 -6.345 1.00 0.00 H new ATOM 0 H2' DG B 2 6.528 0.581 -5.273 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.015 -0.735 -4.224 1.00 0.00 H new ATOM 0 H1' DG B 2 7.724 0.700 -2.522 1.00 0.00 H new ATOM 0 H8 DG B 2 6.038 3.183 -4.998 1.00 0.00 H new ATOM 0 H1 DG B 2 3.514 2.675 0.897 1.00 0.00 H new ATOM 0 H21 DG B 2 5.973 0.178 1.274 1.00 0.00 H new ATOM 0 H22 DG B 2 4.626 1.042 2.022 1.00 0.00 H new ATOM 251 P DA B 3 8.555 -2.391 -5.736 1.00 0.00 P ATOM 252 OP1 DA B 3 9.583 -3.430 -5.961 1.00 0.00 O ATOM 253 OP2 DA B 3 7.631 -2.009 -6.826 1.00 0.00 O ATOM 254 O5' DA B 3 7.689 -2.811 -4.450 1.00 0.00 O ATOM 255 C5' DA B 3 8.355 -3.262 -3.290 1.00 0.00 C ATOM 256 C4' DA B 3 7.360 -3.654 -2.201 1.00 0.00 C ATOM 257 O4' DA B 3 6.637 -2.518 -1.752 1.00 0.00 O ATOM 258 C3' DA B 3 6.380 -4.694 -2.729 1.00 0.00 C ATOM 259 O3' DA B 3 6.414 -5.798 -1.852 1.00 0.00 O ATOM 260 C2' DA B 3 5.062 -3.935 -2.729 1.00 0.00 C ATOM 261 C1' DA B 3 5.253 -2.813 -1.719 1.00 0.00 C ATOM 262 N9 DA B 3 4.515 -1.644 -2.226 1.00 0.00 N ATOM 263 C8 DA B 3 4.591 -1.125 -3.491 1.00 0.00 C ATOM 264 N7 DA B 3 3.761 -0.150 -3.729 1.00 0.00 N ATOM 265 C5 DA B 3 3.097 -0.006 -2.516 1.00 0.00 C ATOM 266 C6 DA B 3 2.074 0.857 -2.094 1.00 0.00 C ATOM 267 N6 DA B 3 1.541 1.755 -2.917 1.00 0.00 N ATOM 268 N1 DA B 3 1.665 0.815 -0.817 1.00 0.00 N ATOM 269 C2 DA B 3 2.230 -0.068 0.004 1.00 0.00 C ATOM 270 N3 DA B 3 3.168 -0.968 -0.282 1.00 0.00 N ATOM 271 C4 DA B 3 3.572 -0.881 -1.576 1.00 0.00 C ATOM 0 H5' DA B 3 9.015 -2.478 -2.918 1.00 0.00 H new ATOM 0 H5'' DA B 3 8.983 -4.118 -3.537 1.00 0.00 H new ATOM 0 H4' DA B 3 7.922 -4.074 -1.367 1.00 0.00 H new ATOM 0 H3' DA B 3 6.584 -5.102 -3.719 1.00 0.00 H new ATOM 0 H2' DA B 3 4.834 -3.540 -3.719 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.233 -4.584 -2.446 1.00 0.00 H new ATOM 0 H1' DA B 3 4.912 -3.071 -0.716 1.00 0.00 H new ATOM 0 H8 DA B 3 5.284 -1.495 -4.232 1.00 0.00 H new ATOM 0 H61 DA B 3 0.798 2.371 -2.587 1.00 0.00 H new ATOM 0 H62 DA B 3 1.875 1.827 -3.878 1.00 0.00 H new ATOM 0 H2 DA B 3 1.885 -0.052 1.027 1.00 0.00 H new ATOM 283 P DT B 4 5.226 -6.878 -1.774 1.00 0.00 P ATOM 284 OP1 DT B 4 5.766 -8.144 -1.233 1.00 0.00 O ATOM 285 OP2 DT B 4 4.462 -6.864 -3.041 1.00 0.00 O ATOM 286 O5' DT B 4 4.349 -6.172 -0.637 1.00 0.00 O ATOM 287 C5' DT B 4 4.972 -5.836 0.587 1.00 0.00 C ATOM 288 C4' DT B 4 3.981 -5.177 1.540 1.00 0.00 C ATOM 289 O4' DT B 4 3.428 -4.037 0.904 1.00 0.00 O ATOM 290 C3' DT B 4 2.852 -6.159 1.832 1.00 0.00 C ATOM 291 O3' DT B 4 2.392 -5.990 3.153 1.00 0.00 O ATOM 292 C2' DT B 4 1.816 -5.712 0.821 1.00 0.00 C ATOM 293 C1' DT B 4 2.027 -4.209 0.843 1.00 0.00 C ATOM 294 N1 DT B 4 1.486 -3.620 -0.391 1.00 0.00 N ATOM 295 C2 DT B 4 0.525 -2.630 -0.262 1.00 0.00 C ATOM 296 O2 DT B 4 0.093 -2.265 0.827 1.00 0.00 O ATOM 297 N3 DT B 4 0.075 -2.067 -1.439 1.00 0.00 N ATOM 298 C4 DT B 4 0.498 -2.399 -2.707 1.00 0.00 C ATOM 299 O4 DT B 4 0.039 -1.815 -3.684 1.00 0.00 O ATOM 300 C5 DT B 4 1.502 -3.445 -2.753 1.00 0.00 C ATOM 301 C7 DT B 4 2.046 -3.894 -4.088 1.00 0.00 C ATOM 302 C6 DT B 4 1.957 -4.016 -1.613 1.00 0.00 C ATOM 0 H5' DT B 4 5.807 -5.161 0.401 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.384 -6.734 1.048 1.00 0.00 H new ATOM 0 H4' DT B 4 4.484 -4.892 2.464 1.00 0.00 H new ATOM 0 H3' DT B 4 3.120 -7.213 1.754 1.00 0.00 H new ATOM 0 H2' DT B 4 1.991 -6.139 -0.166 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.804 -5.992 1.115 1.00 0.00 H new ATOM 0 H1' DT B 4 1.526 -3.725 1.681 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.635 -1.339 -1.363 1.00 0.00 H new ATOM 0 H71 DT B 4 1.280 -3.769 -4.854 1.00 0.00 H new ATOM 0 H72 DT B 4 2.918 -3.294 -4.346 1.00 0.00 H new ATOM 0 H73 DT B 4 2.333 -4.944 -4.030 1.00 0.00 H new ATOM 0 H6 DT B 4 2.703 -4.795 -1.669 1.00 0.00 H new ATOM 315 P DC B 5 1.345 -7.027 3.797 1.00 0.00 P ATOM 316 OP1 DC B 5 1.847 -7.430 5.129 1.00 0.00 O ATOM 317 OP2 DC B 5 1.019 -8.056 2.785 1.00 0.00 O ATOM 318 O5' DC B 5 0.039 -6.120 4.008 1.00 0.00 O ATOM 319 C5' DC B 5 0.064 -5.065 4.945 1.00 0.00 C ATOM 320 C4' DC B 5 -1.338 -4.557 5.290 1.00 0.00 C ATOM 321 O4' DC B 5 -1.909 -3.848 4.208 1.00 0.00 O ATOM 322 C3' DC B 5 -2.290 -5.703 5.602 1.00 0.00 C ATOM 323 O3' DC B 5 -3.294 -5.221 6.467 1.00 0.00 O ATOM 324 C2' DC B 5 -2.817 -6.044 4.213 1.00 0.00 C ATOM 325 C1' DC B 5 -2.780 -4.700 3.483 1.00 0.00 C ATOM 326 N1 DC B 5 -2.302 -4.788 2.082 1.00 0.00 N ATOM 327 C2 DC B 5 -2.622 -3.733 1.240 1.00 0.00 C ATOM 328 O2 DC B 5 -3.225 -2.748 1.656 1.00 0.00 O ATOM 329 N3 DC B 5 -2.355 -3.846 -0.092 1.00 0.00 N ATOM 330 C4 DC B 5 -1.733 -4.923 -0.568 1.00 0.00 C ATOM 331 N4 DC B 5 -1.548 -4.989 -1.882 1.00 0.00 N ATOM 332 C5 DC B 5 -1.295 -5.980 0.292 1.00 0.00 C ATOM 333 C6 DC B 5 -1.609 -5.869 1.606 1.00 0.00 C ATOM 0 H5' DC B 5 0.657 -4.242 4.546 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.559 -5.403 5.855 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.213 -3.911 6.159 1.00 0.00 H new ATOM 0 H3' DC B 5 -1.860 -6.570 6.103 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.193 -6.788 3.718 1.00 0.00 H new ATOM 0 H2'' DC B 5 -3.827 -6.451 4.255 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.801 -4.323 3.434 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.076 -5.796 -2.291 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.878 -4.233 -2.482 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.741 -6.826 -0.088 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.307 -6.648 2.290 1.00 0.00 H new ATOM 345 P DG B 6 -4.332 -6.220 7.179 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.891 -5.540 8.368 1.00 0.00 O ATOM 347 OP2 DG B 6 -3.686 -7.544 7.317 1.00 0.00 O ATOM 348 O5' DG B 6 -5.484 -6.324 6.072 1.00 0.00 O ATOM 349 C5' DG B 6 -6.237 -5.176 5.747 1.00 0.00 C ATOM 350 C4' DG B 6 -7.203 -5.473 4.605 1.00 0.00 C ATOM 351 O4' DG B 6 -6.514 -5.936 3.467 1.00 0.00 O ATOM 352 C3' DG B 6 -8.215 -6.543 4.959 1.00 0.00 C ATOM 353 O3' DG B 6 -9.506 -5.984 5.042 1.00 0.00 O ATOM 354 C2' DG B 6 -8.150 -7.511 3.793 1.00 0.00 C ATOM 355 C1' DG B 6 -7.465 -6.676 2.734 1.00 0.00 C ATOM 356 N9 DG B 6 -6.776 -7.523 1.750 1.00 0.00 N ATOM 357 C8 DG B 6 -5.527 -8.051 1.882 1.00 0.00 C ATOM 358 N7 DG B 6 -4.991 -8.461 0.768 1.00 0.00 N ATOM 359 C5 DG B 6 -5.989 -8.217 -0.173 1.00 0.00 C ATOM 360 C6 DG B 6 -5.952 -8.293 -1.597 1.00 0.00 C ATOM 361 O6 DG B 6 -4.995 -8.560 -2.323 1.00 0.00 O ATOM 362 N1 DG B 6 -7.156 -7.938 -2.179 1.00 0.00 N ATOM 363 C2 DG B 6 -8.277 -7.561 -1.483 1.00 0.00 C ATOM 364 N2 DG B 6 -9.392 -7.352 -2.176 1.00 0.00 N ATOM 365 N3 DG B 6 -8.294 -7.381 -0.157 1.00 0.00 N ATOM 366 C4 DG B 6 -7.114 -7.709 0.433 1.00 0.00 C ATOM 0 H5' DG B 6 -5.568 -4.364 5.462 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.793 -4.839 6.622 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.713 -4.530 4.409 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.006 -7.016 5.919 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.581 -8.408 4.038 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.141 -7.838 3.478 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.152 -6.685 5.270 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.168 -6.061 2.173 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.022 -8.124 2.834 1.00 0.00 H new ATOM 0 H1 DG B 6 -7.214 -7.958 -3.197 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.246 -7.071 -1.695 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.393 -7.473 -3.189 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 7.966 2.172 3.498 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.038 2.535 2.675 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.571 3.367 1.657 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.248 3.650 1.938 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.327 4.546 1.373 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.082 4.729 1.987 1.00 0.00 C HETATM 385 C11 PPZ A 7 4.772 4.008 3.149 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.680 3.072 3.672 1.00 0.00 C HETATM 387 N9 PPZ A 7 6.910 2.936 3.066 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.299 2.055 3.064 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.445 2.615 2.532 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.383 1.217 4.109 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.270 0.908 4.773 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.029 1.342 4.570 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.497 3.796 1.685 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.658 4.924 2.298 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.352 5.580 3.339 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.844 5.498 4.173 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.395 5.645 1.524 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.724 4.516 2.683 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.530 4.123 1.568 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.124 3.555 0.689 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.331 2.161 2.753 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.393 0.203 5.595 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.579 5.094 0.465 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.359 5.427 1.565 1.00 0.00 H new HETATM 0 H11 PPZ A 7 3.819 4.175 3.651 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.417 2.466 4.539 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.067 -3.514 1.235 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.080 -3.334 0.287 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.568 -3.590 -0.985 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.292 -4.090 -0.814 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.359 -4.638 -1.707 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.186 -5.216 -1.202 1.00 0.00 C HETATM 413 C11 PPZ B 7 -4.961 -5.230 0.182 1.00 0.00 C HETATM 414 C10 PPZ B 7 -5.863 -4.600 1.054 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.024 -4.070 0.536 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.343 -2.997 0.797 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.465 -3.142 0.004 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.472 -2.751 2.110 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.404 -2.894 2.895 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.177 -3.294 2.571 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.498 -3.757 -1.314 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.760 -5.102 -1.298 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.584 -6.151 -0.836 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.140 -6.614 -0.095 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.407 -5.334 -2.303 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.879 -5.025 -0.660 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.532 -3.906 -1.626 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.037 -3.091 -2.044 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.347 -2.787 0.375 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.557 -2.650 3.946 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.544 -4.615 -2.781 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.453 -5.652 -1.881 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.081 -5.733 0.583 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.649 -4.532 2.121 1.00 0.00 H new