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 52:sc= -1.54! 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 -120:sc= 0.668 USER MOD Single : B 1 DC O5' : rot -20:sc= 0.135 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.188 (180deg=-0.188) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -127:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.547 -1.983 -7.805 1.00 0.00 O ATOM 2 C5' DC A 1 -7.546 -2.216 -8.777 1.00 0.00 C ATOM 3 C4' DC A 1 -8.821 -2.789 -8.147 1.00 0.00 C ATOM 4 O4' DC A 1 -8.515 -4.011 -7.495 1.00 0.00 O ATOM 5 C3' DC A 1 -9.376 -1.838 -7.092 1.00 0.00 C ATOM 6 O3' DC A 1 -10.769 -2.021 -6.946 1.00 0.00 O ATOM 7 C2' DC A 1 -8.609 -2.305 -5.869 1.00 0.00 C ATOM 8 C1' DC A 1 -8.567 -3.816 -6.092 1.00 0.00 C ATOM 9 N1 DC A 1 -7.371 -4.415 -5.462 1.00 0.00 N ATOM 10 C2 DC A 1 -7.482 -5.674 -4.887 1.00 0.00 C ATOM 11 O2 DC A 1 -8.556 -6.274 -4.866 1.00 0.00 O ATOM 12 N3 DC A 1 -6.383 -6.232 -4.298 1.00 0.00 N ATOM 13 C4 DC A 1 -5.212 -5.585 -4.308 1.00 0.00 C ATOM 14 N4 DC A 1 -4.196 -6.099 -3.624 1.00 0.00 N ATOM 15 C5 DC A 1 -5.075 -4.292 -4.898 1.00 0.00 C ATOM 16 C6 DC A 1 -6.178 -3.750 -5.461 1.00 0.00 C ATOM 0 H5' DC A 1 -7.168 -2.908 -9.530 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.780 -1.283 -9.290 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.554 -2.935 -8.941 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.259 -0.776 -7.310 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.611 -1.870 -5.820 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.117 -2.042 -4.941 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.408 -2.797 -7.277 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.440 -4.292 -5.646 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.294 -5.624 -3.617 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.318 -6.969 -3.106 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.130 -3.769 -4.895 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.115 -2.774 -5.918 1.00 0.00 H new ATOM 29 P DG A 2 -11.632 -0.976 -6.077 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.312 -1.185 -4.647 1.00 0.00 O ATOM 31 OP2 DG A 2 -13.038 -1.030 -6.534 1.00 0.00 O ATOM 32 O5' DG A 2 -10.979 0.408 -6.598 1.00 0.00 O ATOM 33 C5' DG A 2 -10.979 1.599 -5.833 1.00 0.00 C ATOM 34 C4' DG A 2 -10.188 1.459 -4.529 1.00 0.00 C ATOM 35 O4' DG A 2 -9.080 0.599 -4.672 1.00 0.00 O ATOM 36 C3' DG A 2 -9.608 2.798 -4.074 1.00 0.00 C ATOM 37 O3' DG A 2 -10.330 3.230 -2.943 1.00 0.00 O ATOM 38 C2' DG A 2 -8.148 2.475 -3.747 1.00 0.00 C ATOM 39 C1' DG A 2 -8.169 0.957 -3.663 1.00 0.00 C ATOM 40 N9 DG A 2 -6.882 0.303 -3.952 1.00 0.00 N ATOM 41 C8 DG A 2 -6.300 0.084 -5.171 1.00 0.00 C ATOM 42 N7 DG A 2 -5.244 -0.683 -5.135 1.00 0.00 N ATOM 43 C5 DG A 2 -5.116 -0.996 -3.783 1.00 0.00 C ATOM 44 C6 DG A 2 -4.165 -1.813 -3.102 1.00 0.00 C ATOM 45 O6 DG A 2 -3.204 -2.422 -3.574 1.00 0.00 O ATOM 46 N1 DG A 2 -4.412 -1.896 -1.742 1.00 0.00 N ATOM 47 C2 DG A 2 -5.477 -1.304 -1.105 1.00 0.00 C ATOM 48 N2 DG A 2 -5.584 -1.426 0.212 1.00 0.00 N ATOM 49 N3 DG A 2 -6.371 -0.537 -1.731 1.00 0.00 N ATOM 50 C4 DG A 2 -6.134 -0.420 -3.061 1.00 0.00 C ATOM 0 H5' DG A 2 -12.007 1.879 -5.602 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.554 2.408 -6.427 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.903 1.065 -3.807 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.672 3.599 -4.811 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.468 2.831 -4.521 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.830 2.931 -2.809 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.420 0.644 -2.650 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.682 0.510 -6.087 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.758 -2.434 -1.173 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.367 -0.994 0.702 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.883 -1.952 0.734 1.00 0.00 H new ATOM 62 P DA A 3 -9.953 4.598 -2.190 1.00 0.00 P ATOM 63 OP1 DA A 3 -11.126 5.040 -1.404 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.325 5.515 -3.167 1.00 0.00 O ATOM 65 O5' DA A 3 -8.827 4.091 -1.168 1.00 0.00 O ATOM 66 C5' DA A 3 -9.196 3.336 -0.034 1.00 0.00 C ATOM 67 C4' DA A 3 -7.976 3.115 0.854 1.00 0.00 C ATOM 68 O4' DA A 3 -7.087 2.176 0.279 1.00 0.00 O ATOM 69 C3' DA A 3 -7.223 4.428 1.030 1.00 0.00 C ATOM 70 O3' DA A 3 -7.376 4.838 2.370 1.00 0.00 O ATOM 71 C2' DA A 3 -5.800 4.073 0.618 1.00 0.00 C ATOM 72 C1' DA A 3 -5.767 2.555 0.613 1.00 0.00 C ATOM 73 N9 DA A 3 -4.872 2.134 -0.474 1.00 0.00 N ATOM 74 C8 DA A 3 -4.952 2.516 -1.784 1.00 0.00 C ATOM 75 N7 DA A 3 -4.014 2.028 -2.547 1.00 0.00 N ATOM 76 C5 DA A 3 -3.283 1.232 -1.670 1.00 0.00 C ATOM 77 C6 DA A 3 -2.172 0.392 -1.846 1.00 0.00 C ATOM 78 N6 DA A 3 -1.564 0.275 -3.024 1.00 0.00 N ATOM 79 N1 DA A 3 -1.743 -0.350 -0.812 1.00 0.00 N ATOM 80 C2 DA A 3 -2.361 -0.227 0.362 1.00 0.00 C ATOM 81 N3 DA A 3 -3.374 0.574 0.673 1.00 0.00 N ATOM 82 C4 DA A 3 -3.808 1.272 -0.406 1.00 0.00 C ATOM 0 H5' DA A 3 -9.612 2.377 -0.343 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.975 3.856 0.524 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.330 2.738 1.813 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.571 5.273 0.436 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.560 4.477 -0.365 1.00 0.00 H new ATOM 0 H2'' DA A 3 -5.071 4.483 1.318 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.431 2.124 1.556 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.728 3.168 -2.156 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.759 -0.343 -3.123 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.903 0.803 -3.828 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.993 -0.856 1.159 1.00 0.00 H new ATOM 94 P DT A 4 -6.467 5.992 3.015 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.156 6.532 4.208 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.990 6.897 1.946 1.00 0.00 O ATOM 97 O5' DT A 4 -5.256 5.069 3.497 1.00 0.00 O ATOM 98 C5' DT A 4 -5.537 3.953 4.315 1.00 0.00 C ATOM 99 C4' DT A 4 -4.264 3.156 4.559 1.00 0.00 C ATOM 100 O4' DT A 4 -3.755 2.654 3.334 1.00 0.00 O ATOM 101 C3' DT A 4 -3.216 4.081 5.170 1.00 0.00 C ATOM 102 O3' DT A 4 -2.670 3.440 6.301 1.00 0.00 O ATOM 103 C2' DT A 4 -2.214 4.188 4.025 1.00 0.00 C ATOM 104 C1' DT A 4 -2.360 2.867 3.343 1.00 0.00 C ATOM 105 N1 DT A 4 -1.819 2.998 1.988 1.00 0.00 N ATOM 106 C2 DT A 4 -0.819 2.133 1.576 1.00 0.00 C ATOM 107 O2 DT A 4 -0.313 1.296 2.317 1.00 0.00 O ATOM 108 N3 DT A 4 -0.401 2.280 0.268 1.00 0.00 N ATOM 109 C4 DT A 4 -0.860 3.225 -0.626 1.00 0.00 C ATOM 110 O4 DT A 4 -0.444 3.233 -1.781 1.00 0.00 O ATOM 111 C5 DT A 4 -1.828 4.156 -0.076 1.00 0.00 C ATOM 112 C7 DT A 4 -2.373 5.263 -0.946 1.00 0.00 C ATOM 113 C6 DT A 4 -2.266 4.016 1.197 1.00 0.00 C ATOM 0 H5' DT A 4 -6.286 3.321 3.838 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.957 4.284 5.265 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.488 2.324 5.227 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.567 5.054 5.513 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.448 5.017 3.357 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.199 4.347 4.388 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.835 2.039 3.821 1.00 0.00 H new ATOM 0 H3 DT A 4 0.311 1.631 -0.067 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.387 5.509 -0.630 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.740 6.145 -0.852 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.387 4.936 -1.986 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.981 4.722 1.593 1.00 0.00 H new ATOM 126 P DC A 5 -1.268 3.913 6.915 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.059 3.255 8.224 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.149 5.381 6.781 1.00 0.00 O ATOM 129 O5' DC A 5 -0.306 3.218 5.833 1.00 0.00 O ATOM 130 C5' DC A 5 -0.120 1.819 5.868 1.00 0.00 C ATOM 131 C4' DC A 5 1.294 1.463 6.331 1.00 0.00 C ATOM 132 O4' DC A 5 2.132 1.287 5.207 1.00 0.00 O ATOM 133 C3' DC A 5 1.908 2.607 7.128 1.00 0.00 C ATOM 134 O3' DC A 5 2.918 2.135 7.988 1.00 0.00 O ATOM 135 C2' DC A 5 2.460 3.488 6.015 1.00 0.00 C ATOM 136 C1' DC A 5 2.692 2.533 4.843 1.00 0.00 C ATOM 137 N1 DC A 5 2.108 3.031 3.569 1.00 0.00 N ATOM 138 C2 DC A 5 2.649 2.527 2.395 1.00 0.00 C ATOM 139 O2 DC A 5 3.346 1.515 2.393 1.00 0.00 O ATOM 140 N3 DC A 5 2.486 3.227 1.237 1.00 0.00 N ATOM 141 C4 DC A 5 1.726 4.324 1.219 1.00 0.00 C ATOM 142 N4 DC A 5 1.615 4.990 0.076 1.00 0.00 N ATOM 143 C5 DC A 5 0.980 4.738 2.365 1.00 0.00 C ATOM 144 C6 DC A 5 1.210 4.068 3.518 1.00 0.00 C ATOM 0 H5' DC A 5 -0.298 1.400 4.877 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.850 1.369 6.540 1.00 0.00 H new ATOM 0 H4' DC A 5 1.218 0.559 6.936 1.00 0.00 H new ATOM 0 H3' DC A 5 1.214 3.128 7.788 1.00 0.00 H new ATOM 0 H2' DC A 5 1.757 4.277 5.749 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.387 3.975 6.318 1.00 0.00 H new ATOM 0 H1' DC A 5 3.762 2.444 4.653 1.00 0.00 H new ATOM 0 H41 DC A 5 1.041 5.832 0.030 1.00 0.00 H new ATOM 0 H42 DC A 5 2.103 4.659 -0.756 1.00 0.00 H new ATOM 0 H5 DC A 5 0.267 5.547 2.314 1.00 0.00 H new ATOM 0 H6 DC A 5 0.678 4.354 4.413 1.00 0.00 H new ATOM 156 P DG A 6 3.690 3.138 8.981 1.00 0.00 P ATOM 157 OP1 DG A 6 3.852 2.472 10.292 1.00 0.00 O ATOM 158 OP2 DG A 6 3.056 4.473 8.898 1.00 0.00 O ATOM 159 O5' DG A 6 5.122 3.214 8.273 1.00 0.00 O ATOM 160 C5' DG A 6 5.901 2.041 8.168 1.00 0.00 C ATOM 161 C4' DG A 6 7.174 2.311 7.374 1.00 0.00 C ATOM 162 O4' DG A 6 6.805 2.861 6.126 1.00 0.00 O ATOM 163 C3' DG A 6 8.044 3.327 8.103 1.00 0.00 C ATOM 164 O3' DG A 6 9.410 3.030 7.916 1.00 0.00 O ATOM 165 C2' DG A 6 7.723 4.627 7.407 1.00 0.00 C ATOM 166 C1' DG A 6 7.379 4.148 6.013 1.00 0.00 C ATOM 167 N9 DG A 6 6.395 5.063 5.436 1.00 0.00 N ATOM 168 C8 DG A 6 5.050 5.046 5.622 1.00 0.00 C ATOM 169 N7 DG A 6 4.379 5.781 4.776 1.00 0.00 N ATOM 170 C5 DG A 6 5.382 6.377 4.009 1.00 0.00 C ATOM 171 C6 DG A 6 5.312 7.194 2.839 1.00 0.00 C ATOM 172 O6 DG A 6 4.317 7.544 2.205 1.00 0.00 O ATOM 173 N1 DG A 6 6.564 7.563 2.374 1.00 0.00 N ATOM 174 C2 DG A 6 7.749 7.226 2.981 1.00 0.00 C ATOM 175 N2 DG A 6 8.871 7.760 2.516 1.00 0.00 N ATOM 176 N3 DG A 6 7.835 6.390 4.015 1.00 0.00 N ATOM 177 C4 DG A 6 6.621 5.992 4.464 1.00 0.00 C ATOM 0 H5' DG A 6 5.322 1.256 7.681 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.157 1.678 9.163 1.00 0.00 H new ATOM 0 H4' DG A 6 7.729 1.381 7.251 1.00 0.00 H new ATOM 0 H3' DG A 6 7.859 3.343 9.177 1.00 0.00 H new ATOM 0 H2' DG A 6 6.890 5.149 7.878 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.571 5.312 7.407 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.956 3.692 8.389 1.00 0.00 H new ATOM 0 H1' DG A 6 8.267 4.115 5.381 1.00 0.00 H new ATOM 0 H8 DG A 6 4.575 4.473 6.404 1.00 0.00 H new ATOM 0 H1 DG A 6 6.609 8.123 1.523 1.00 0.00 H new ATOM 0 H21 DG A 6 9.765 7.526 2.949 1.00 0.00 H new ATOM 0 H22 DG A 6 8.840 8.404 1.726 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 9.168 8.865 -4.576 1.00 0.00 O ATOM 191 C5' DC B 1 9.707 7.634 -5.020 1.00 0.00 C ATOM 192 C4' DC B 1 10.766 7.098 -4.051 1.00 0.00 C ATOM 193 O4' DC B 1 10.319 7.289 -2.721 1.00 0.00 O ATOM 194 C3' DC B 1 10.884 5.592 -4.239 1.00 0.00 C ATOM 195 O3' DC B 1 12.083 5.107 -3.670 1.00 0.00 O ATOM 196 C2' DC B 1 9.650 5.151 -3.471 1.00 0.00 C ATOM 197 C1' DC B 1 9.596 6.142 -2.305 1.00 0.00 C ATOM 198 N1 DC B 1 8.194 6.473 -1.948 1.00 0.00 N ATOM 199 C2 DC B 1 7.955 7.268 -0.831 1.00 0.00 C ATOM 200 O2 DC B 1 8.877 7.800 -0.215 1.00 0.00 O ATOM 201 N3 DC B 1 6.672 7.426 -0.388 1.00 0.00 N ATOM 202 C4 DC B 1 5.655 6.861 -1.049 1.00 0.00 C ATOM 203 N4 DC B 1 4.445 6.879 -0.502 1.00 0.00 N ATOM 204 C5 DC B 1 5.872 6.083 -2.224 1.00 0.00 C ATOM 205 C6 DC B 1 7.149 5.913 -2.630 1.00 0.00 C ATOM 0 H5' DC B 1 10.150 7.765 -6.007 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.906 6.902 -5.125 1.00 0.00 H new ATOM 0 H4' DC B 1 11.710 7.610 -4.237 1.00 0.00 H new ATOM 0 H3' DC B 1 10.925 5.237 -5.269 1.00 0.00 H new ATOM 0 H2' DC B 1 8.752 5.203 -4.086 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.738 4.122 -3.122 1.00 0.00 H new ATOM 0 HO5' DC B 1 9.334 8.967 -3.616 1.00 0.00 H new ATOM 0 H1' DC B 1 10.038 5.717 -1.404 1.00 0.00 H new ATOM 0 H41 DC B 1 3.658 6.453 -0.991 1.00 0.00 H new ATOM 0 H42 DC B 1 4.303 7.319 0.407 1.00 0.00 H new ATOM 0 H5 DC B 1 5.047 5.647 -2.768 1.00 0.00 H new ATOM 0 H6 DC B 1 7.349 5.322 -3.512 1.00 0.00 H new ATOM 218 P DG B 2 12.426 3.533 -3.710 1.00 0.00 P ATOM 219 OP1 DG B 2 11.697 2.880 -2.600 1.00 0.00 O ATOM 220 OP2 DG B 2 13.892 3.373 -3.826 1.00 0.00 O ATOM 221 O5' DG B 2 11.753 3.123 -5.122 1.00 0.00 O ATOM 222 C5' DG B 2 11.444 1.784 -5.465 1.00 0.00 C ATOM 223 C4' DG B 2 10.456 1.160 -4.476 1.00 0.00 C ATOM 224 O4' DG B 2 9.405 2.045 -4.156 1.00 0.00 O ATOM 225 C3' DG B 2 9.779 -0.100 -5.018 1.00 0.00 C ATOM 226 O3' DG B 2 10.320 -1.226 -4.367 1.00 0.00 O ATOM 227 C2' DG B 2 8.310 0.100 -4.650 1.00 0.00 C ATOM 228 C1' DG B 2 8.392 1.223 -3.632 1.00 0.00 C ATOM 229 N9 DG B 2 7.139 1.981 -3.525 1.00 0.00 N ATOM 230 C8 DG B 2 6.603 2.864 -4.419 1.00 0.00 C ATOM 231 N7 DG B 2 5.537 3.480 -3.989 1.00 0.00 N ATOM 232 C5 DG B 2 5.343 2.944 -2.717 1.00 0.00 C ATOM 233 C6 DG B 2 4.359 3.234 -1.728 1.00 0.00 C ATOM 234 O6 DG B 2 3.479 4.094 -1.763 1.00 0.00 O ATOM 235 N1 DG B 2 4.480 2.428 -0.606 1.00 0.00 N ATOM 236 C2 DG B 2 5.519 1.552 -0.388 1.00 0.00 C ATOM 237 N2 DG B 2 5.539 0.851 0.739 1.00 0.00 N ATOM 238 N3 DG B 2 6.479 1.314 -1.284 1.00 0.00 N ATOM 239 C4 DG B 2 6.323 2.027 -2.427 1.00 0.00 C ATOM 0 H5' DG B 2 12.360 1.193 -5.486 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.022 1.754 -6.469 1.00 0.00 H new ATOM 0 H4' DG B 2 11.067 0.922 -3.605 1.00 0.00 H new ATOM 0 H3' DG B 2 9.916 -0.257 -6.088 1.00 0.00 H new ATOM 0 H2' DG B 2 7.706 0.376 -5.515 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.868 -0.803 -4.228 1.00 0.00 H new ATOM 0 H1' DG B 2 8.586 0.849 -2.627 1.00 0.00 H new ATOM 0 H8 DG B 2 7.026 3.037 -5.398 1.00 0.00 H new ATOM 0 H1 DG B 2 3.751 2.488 0.105 1.00 0.00 H new ATOM 0 H21 DG B 2 6.300 0.197 0.919 1.00 0.00 H new ATOM 0 H22 DG B 2 4.793 0.967 1.425 1.00 0.00 H new ATOM 251 P DA B 3 9.674 -2.688 -4.556 1.00 0.00 P ATOM 252 OP1 DA B 3 10.709 -3.699 -4.244 1.00 0.00 O ATOM 253 OP2 DA B 3 8.968 -2.727 -5.855 1.00 0.00 O ATOM 254 O5' DA B 3 8.579 -2.716 -3.379 1.00 0.00 O ATOM 255 C5' DA B 3 9.006 -2.790 -2.035 1.00 0.00 C ATOM 256 C4' DA B 3 7.870 -3.252 -1.124 1.00 0.00 C ATOM 257 O4' DA B 3 6.912 -2.226 -0.921 1.00 0.00 O ATOM 258 C3' DA B 3 7.168 -4.451 -1.748 1.00 0.00 C ATOM 259 O3' DA B 3 7.092 -5.453 -0.761 1.00 0.00 O ATOM 260 C2' DA B 3 5.818 -3.871 -2.153 1.00 0.00 C ATOM 261 C1' DA B 3 5.613 -2.740 -1.156 1.00 0.00 C ATOM 262 N9 DA B 3 4.807 -1.676 -1.780 1.00 0.00 N ATOM 263 C8 DA B 3 4.989 -1.097 -3.010 1.00 0.00 C ATOM 264 N7 DA B 3 4.102 -0.191 -3.316 1.00 0.00 N ATOM 265 C5 DA B 3 3.304 -0.137 -2.179 1.00 0.00 C ATOM 266 C6 DA B 3 2.198 0.653 -1.828 1.00 0.00 C ATOM 267 N6 DA B 3 1.669 1.530 -2.677 1.00 0.00 N ATOM 268 N1 DA B 3 1.680 0.546 -0.594 1.00 0.00 N ATOM 269 C2 DA B 3 2.224 -0.328 0.251 1.00 0.00 C ATOM 270 N3 DA B 3 3.235 -1.162 0.029 1.00 0.00 N ATOM 271 C4 DA B 3 3.747 -1.006 -1.218 1.00 0.00 C ATOM 0 H5' DA B 3 9.364 -1.813 -1.709 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.846 -3.480 -1.954 1.00 0.00 H new ATOM 0 H4' DA B 3 8.308 -3.518 -0.162 1.00 0.00 H new ATOM 0 H3' DA B 3 7.654 -4.915 -2.606 1.00 0.00 H new ATOM 0 H2' DA B 3 5.828 -3.506 -3.180 1.00 0.00 H new ATOM 0 H2'' DA B 3 5.024 -4.615 -2.087 1.00 0.00 H new ATOM 0 H1' DA B 3 5.112 -3.079 -0.249 1.00 0.00 H new ATOM 0 H8 DA B 3 5.799 -1.369 -3.670 1.00 0.00 H new ATOM 0 H61 DA B 3 0.865 2.091 -2.396 1.00 0.00 H new ATOM 0 H62 DA B 3 2.067 1.641 -3.609 1.00 0.00 H new ATOM 0 H2 DA B 3 1.790 -0.364 1.239 1.00 0.00 H new ATOM 283 P DT B 4 6.252 -6.805 -0.974 1.00 0.00 P ATOM 284 OP1 DT B 4 6.983 -7.926 -0.344 1.00 0.00 O ATOM 285 OP2 DT B 4 5.809 -6.891 -2.383 1.00 0.00 O ATOM 286 O5' DT B 4 4.993 -6.439 -0.062 1.00 0.00 O ATOM 287 C5' DT B 4 5.206 -6.105 1.294 1.00 0.00 C ATOM 288 C4' DT B 4 3.919 -5.565 1.901 1.00 0.00 C ATOM 289 O4' DT B 4 3.503 -4.426 1.165 1.00 0.00 O ATOM 290 C3' DT B 4 2.828 -6.627 1.791 1.00 0.00 C ATOM 291 O3' DT B 4 2.085 -6.650 2.988 1.00 0.00 O ATOM 292 C2' DT B 4 2.007 -6.085 0.637 1.00 0.00 C ATOM 293 C1' DT B 4 2.132 -4.600 0.890 1.00 0.00 C ATOM 294 N1 DT B 4 1.702 -3.865 -0.307 1.00 0.00 N ATOM 295 C2 DT B 4 0.663 -2.963 -0.153 1.00 0.00 C ATOM 296 O2 DT B 4 0.092 -2.787 0.918 1.00 0.00 O ATOM 297 N3 DT B 4 0.286 -2.274 -1.286 1.00 0.00 N ATOM 298 C4 DT B 4 0.839 -2.417 -2.541 1.00 0.00 C ATOM 299 O4 DT B 4 0.441 -1.722 -3.470 1.00 0.00 O ATOM 300 C5 DT B 4 1.897 -3.408 -2.624 1.00 0.00 C ATOM 301 C7 DT B 4 2.581 -3.664 -3.947 1.00 0.00 C ATOM 302 C6 DT B 4 2.292 -4.089 -1.523 1.00 0.00 C ATOM 0 H5' DT B 4 5.997 -5.360 1.374 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.539 -6.984 1.846 1.00 0.00 H new ATOM 0 H4' DT B 4 4.090 -5.304 2.945 1.00 0.00 H new ATOM 0 H3' DT B 4 3.176 -7.648 1.633 1.00 0.00 H new ATOM 0 H2' DT B 4 2.410 -6.377 -0.333 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.972 -6.426 0.667 1.00 0.00 H new ATOM 0 H1' DT B 4 1.512 -4.228 1.706 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.471 -1.597 -1.187 1.00 0.00 H new ATOM 0 H71 DT B 4 3.610 -3.977 -3.770 1.00 0.00 H new ATOM 0 H72 DT B 4 2.050 -4.450 -4.485 1.00 0.00 H new ATOM 0 H73 DT B 4 2.577 -2.750 -4.542 1.00 0.00 H new ATOM 0 H6 DT B 4 3.083 -4.819 -1.604 1.00 0.00 H new ATOM 315 P DC B 5 0.904 -7.716 3.214 1.00 0.00 P ATOM 316 OP1 DC B 5 1.106 -8.372 4.524 1.00 0.00 O ATOM 317 OP2 DC B 5 0.754 -8.532 1.989 1.00 0.00 O ATOM 318 O5' DC B 5 -0.377 -6.757 3.325 1.00 0.00 O ATOM 319 C5' DC B 5 -0.505 -5.895 4.437 1.00 0.00 C ATOM 320 C4' DC B 5 -1.962 -5.501 4.697 1.00 0.00 C ATOM 321 O4' DC B 5 -2.422 -4.568 3.735 1.00 0.00 O ATOM 322 C3' DC B 5 -2.858 -6.729 4.590 1.00 0.00 C ATOM 323 O3' DC B 5 -4.017 -6.541 5.369 1.00 0.00 O ATOM 324 C2' DC B 5 -3.152 -6.715 3.098 1.00 0.00 C ATOM 325 C1' DC B 5 -3.138 -5.246 2.720 1.00 0.00 C ATOM 326 N1 DC B 5 -2.518 -4.995 1.396 1.00 0.00 N ATOM 327 C2 DC B 5 -2.824 -3.799 0.757 1.00 0.00 C ATOM 328 O2 DC B 5 -3.438 -2.904 1.334 1.00 0.00 O ATOM 329 N3 DC B 5 -2.539 -3.668 -0.570 1.00 0.00 N ATOM 330 C4 DC B 5 -1.873 -4.628 -1.212 1.00 0.00 C ATOM 331 N4 DC B 5 -1.646 -4.463 -2.512 1.00 0.00 N ATOM 332 C5 DC B 5 -1.416 -5.807 -0.543 1.00 0.00 C ATOM 333 C6 DC B 5 -1.779 -5.952 0.754 1.00 0.00 C ATOM 0 H5' DC B 5 0.088 -4.996 4.268 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.099 -6.384 5.322 1.00 0.00 H new ATOM 0 H4' DC B 5 -2.004 -5.062 5.694 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.434 -7.669 4.945 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.401 -7.275 2.541 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.117 -7.172 2.880 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.164 -4.887 2.637 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.140 -5.177 -3.036 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.978 -3.623 -2.985 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.811 -6.546 -1.048 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.480 -6.839 1.292 1.00 0.00 H new ATOM 345 P DG B 6 -4.963 -7.782 5.764 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.030 -7.873 7.239 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.563 -8.959 4.962 1.00 0.00 O ATOM 348 O5' DG B 6 -6.378 -7.268 5.221 1.00 0.00 O ATOM 349 C5' DG B 6 -6.939 -6.085 5.750 1.00 0.00 C ATOM 350 C4' DG B 6 -8.046 -5.564 4.839 1.00 0.00 C ATOM 351 O4' DG B 6 -7.532 -5.500 3.524 1.00 0.00 O ATOM 352 C3' DG B 6 -9.244 -6.506 4.832 1.00 0.00 C ATOM 353 O3' DG B 6 -10.439 -5.773 4.678 1.00 0.00 O ATOM 354 C2' DG B 6 -9.023 -7.349 3.597 1.00 0.00 C ATOM 355 C1' DG B 6 -8.248 -6.402 2.701 1.00 0.00 C ATOM 356 N9 DG B 6 -7.305 -7.167 1.881 1.00 0.00 N ATOM 357 C8 DG B 6 -6.056 -7.571 2.237 1.00 0.00 C ATOM 358 N7 DG B 6 -5.301 -7.938 1.237 1.00 0.00 N ATOM 359 C5 DG B 6 -6.150 -7.817 0.136 1.00 0.00 C ATOM 360 C6 DG B 6 -5.886 -7.934 -1.262 1.00 0.00 C ATOM 361 O6 DG B 6 -4.814 -8.152 -1.825 1.00 0.00 O ATOM 362 N1 DG B 6 -7.009 -7.695 -2.037 1.00 0.00 N ATOM 363 C2 DG B 6 -8.253 -7.402 -1.534 1.00 0.00 C ATOM 364 N2 DG B 6 -9.267 -7.315 -2.387 1.00 0.00 N ATOM 365 N3 DG B 6 -8.495 -7.202 -0.237 1.00 0.00 N ATOM 366 C4 DG B 6 -7.400 -7.409 0.538 1.00 0.00 C ATOM 0 H5' DG B 6 -6.164 -5.326 5.861 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.340 -6.279 6.745 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.370 -4.588 5.200 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.329 -7.085 5.752 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.459 -8.255 3.818 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.963 -7.662 3.143 1.00 0.00 H new ATOM 0 HO3' DG B 6 -11.202 -6.388 4.673 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.930 -5.858 2.047 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.717 -7.587 3.262 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.905 -7.740 -3.051 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.204 -7.099 -2.046 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.109 -7.464 -3.384 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.762 2.466 3.138 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.808 3.067 2.429 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.284 3.763 1.339 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.908 3.746 1.476 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.880 4.409 0.789 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.587 4.403 1.326 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.332 3.688 2.506 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.347 2.940 3.124 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.621 3.011 2.606 1.00 0.00 N HETATM 388 C6 PPZ A 7 11.090 2.894 2.972 1.00 0.00 C HETATM 389 N6 PPZ A 7 12.115 3.736 2.584 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.248 2.073 4.023 1.00 0.00 N HETATM 391 C2 PPZ A 7 10.171 1.500 4.555 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.894 1.650 4.214 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.968 4.914 1.743 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.824 5.793 2.262 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.216 6.526 3.403 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.639 6.289 4.159 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.506 6.480 1.478 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.965 5.168 2.506 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.898 5.482 1.734 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.768 4.613 0.715 1.00 0.00 H new HETATM 0 H6 PPZ A 7 13.054 3.513 2.915 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.361 0.815 5.382 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.085 4.922 -0.151 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.784 4.950 0.831 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.336 3.713 2.948 1.00 0.00 H new HETATM 0 H10 PPZ A 7 6.132 2.318 3.993 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.740 -3.297 1.051 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.693 -3.227 0.031 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.061 -3.396 -1.201 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.759 -3.770 -0.934 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.715 -4.219 -1.757 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.562 -4.748 -1.165 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.473 -4.818 0.233 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.478 -4.268 1.043 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.610 -3.774 0.436 1.00 0.00 N HETATM 416 C6 PPZ B 7 -11.021 -3.062 0.449 1.00 0.00 C HETATM 417 N6 PPZ B 7 -12.053 -3.375 -0.415 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.270 -2.820 1.747 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.250 -2.821 2.605 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.965 -3.075 2.370 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.907 -3.968 -1.736 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.981 -5.191 -1.689 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.668 -6.360 -1.296 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.199 -6.778 -0.544 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.535 -5.346 -2.671 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.163 -5.000 -0.994 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.885 -4.262 -2.117 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.504 -3.229 -2.428 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -13.001 -3.172 -0.099 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.502 -2.582 3.638 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.801 -4.157 -2.842 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.739 -5.103 -1.786 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.614 -5.305 0.695 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.365 -4.233 2.127 1.00 0.00 H new