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 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 -126:sc= 0.612 USER MOD Single : B 1 DC O5' : rot 62:sc= -1.61! 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 -120:sc= 0.6 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.013 -4.860 -9.658 1.00 0.00 O ATOM 2 C5' DC A 1 -9.182 -3.642 -8.960 1.00 0.00 C ATOM 3 C4' DC A 1 -10.443 -3.664 -8.093 1.00 0.00 C ATOM 4 O4' DC A 1 -10.249 -4.518 -6.979 1.00 0.00 O ATOM 5 C3' DC A 1 -10.675 -2.279 -7.508 1.00 0.00 C ATOM 6 O3' DC A 1 -11.994 -2.207 -7.013 1.00 0.00 O ATOM 7 C2' DC A 1 -9.649 -2.310 -6.387 1.00 0.00 C ATOM 8 C1' DC A 1 -9.711 -3.765 -5.902 1.00 0.00 C ATOM 9 N1 DC A 1 -8.367 -4.275 -5.530 1.00 0.00 N ATOM 10 C2 DC A 1 -8.247 -5.554 -4.989 1.00 0.00 C ATOM 11 O2 DC A 1 -9.231 -6.265 -4.786 1.00 0.00 O ATOM 12 N3 DC A 1 -7.009 -6.019 -4.649 1.00 0.00 N ATOM 13 C4 DC A 1 -5.923 -5.261 -4.843 1.00 0.00 C ATOM 14 N4 DC A 1 -4.753 -5.677 -4.371 1.00 0.00 N ATOM 15 C5 DC A 1 -6.029 -3.934 -5.348 1.00 0.00 C ATOM 16 C6 DC A 1 -7.259 -3.487 -5.675 1.00 0.00 C ATOM 0 H5' DC A 1 -9.243 -2.819 -9.672 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.310 -3.457 -8.332 1.00 0.00 H new ATOM 0 H4' DC A 1 -11.275 -3.995 -8.715 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.571 -1.432 -8.186 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.654 -2.046 -6.744 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.899 -1.608 -5.591 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.200 -4.814 -10.204 1.00 0.00 H new ATOM 0 H1' DC A 1 -10.327 -3.846 -5.006 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.916 -5.111 -4.511 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.691 -6.563 -3.869 1.00 0.00 H new ATOM 0 H5 DC A 1 -5.157 -3.308 -5.465 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.371 -2.484 -6.060 1.00 0.00 H new ATOM 29 P DG A 2 -12.718 -0.789 -6.774 1.00 0.00 P ATOM 30 OP1 DG A 2 -14.081 -1.048 -6.260 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.532 0.025 -7.996 1.00 0.00 O ATOM 32 O5' DG A 2 -11.853 -0.136 -5.593 1.00 0.00 O ATOM 33 C5' DG A 2 -11.195 1.097 -5.784 1.00 0.00 C ATOM 34 C4' DG A 2 -10.271 1.337 -4.596 1.00 0.00 C ATOM 35 O4' DG A 2 -9.270 0.343 -4.573 1.00 0.00 O ATOM 36 C3' DG A 2 -9.543 2.680 -4.665 1.00 0.00 C ATOM 37 O3' DG A 2 -10.083 3.549 -3.694 1.00 0.00 O ATOM 38 C2' DG A 2 -8.097 2.316 -4.344 1.00 0.00 C ATOM 39 C1' DG A 2 -8.209 0.891 -3.832 1.00 0.00 C ATOM 40 N9 DG A 2 -6.980 0.132 -4.098 1.00 0.00 N ATOM 41 C8 DG A 2 -6.398 -0.160 -5.300 1.00 0.00 C ATOM 42 N7 DG A 2 -5.369 -0.959 -5.213 1.00 0.00 N ATOM 43 C5 DG A 2 -5.261 -1.209 -3.845 1.00 0.00 C ATOM 44 C6 DG A 2 -4.371 -2.052 -3.114 1.00 0.00 C ATOM 45 O6 DG A 2 -3.504 -2.813 -3.548 1.00 0.00 O ATOM 46 N1 DG A 2 -4.573 -1.971 -1.745 1.00 0.00 N ATOM 47 C2 DG A 2 -5.592 -1.267 -1.146 1.00 0.00 C ATOM 48 N2 DG A 2 -5.711 -1.293 0.175 1.00 0.00 N ATOM 49 N3 DG A 2 -6.465 -0.523 -1.824 1.00 0.00 N ATOM 50 C4 DG A 2 -6.239 -0.530 -3.160 1.00 0.00 C ATOM 0 H5' DG A 2 -11.921 1.905 -5.869 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.624 1.082 -6.712 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.906 1.319 -3.710 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.634 3.189 -5.625 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.460 2.379 -5.226 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.670 2.982 -3.594 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.369 0.858 -2.754 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.758 0.235 -6.239 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.920 -2.468 -1.139 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.463 -0.775 0.630 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.051 -1.831 0.736 1.00 0.00 H new ATOM 62 P DA A 3 -9.388 4.960 -3.345 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.425 5.873 -2.816 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.554 5.374 -4.495 1.00 0.00 O ATOM 65 O5' DA A 3 -8.416 4.551 -2.131 1.00 0.00 O ATOM 66 C5' DA A 3 -8.978 4.206 -0.882 1.00 0.00 C ATOM 67 C4' DA A 3 -7.905 4.066 0.197 1.00 0.00 C ATOM 68 O4' DA A 3 -7.071 2.945 -0.051 1.00 0.00 O ATOM 69 C3' DA A 3 -7.043 5.321 0.252 1.00 0.00 C ATOM 70 O3' DA A 3 -7.064 5.797 1.580 1.00 0.00 O ATOM 71 C2' DA A 3 -5.683 4.817 -0.210 1.00 0.00 C ATOM 72 C1' DA A 3 -5.710 3.319 0.067 1.00 0.00 C ATOM 73 N9 DA A 3 -4.961 2.643 -1.009 1.00 0.00 N ATOM 74 C8 DA A 3 -5.097 2.855 -2.357 1.00 0.00 C ATOM 75 N7 DA A 3 -4.264 2.182 -3.097 1.00 0.00 N ATOM 76 C5 DA A 3 -3.543 1.447 -2.163 1.00 0.00 C ATOM 77 C6 DA A 3 -2.493 0.530 -2.295 1.00 0.00 C ATOM 78 N6 DA A 3 -1.992 0.247 -3.493 1.00 0.00 N ATOM 79 N1 DA A 3 -2.013 -0.093 -1.206 1.00 0.00 N ATOM 80 C2 DA A 3 -2.555 0.205 -0.026 1.00 0.00 C ATOM 81 N3 DA A 3 -3.515 1.088 0.241 1.00 0.00 N ATOM 82 C4 DA A 3 -3.982 1.682 -0.888 1.00 0.00 C ATOM 0 H5' DA A 3 -9.526 3.268 -0.975 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.698 4.968 -0.583 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.414 3.924 1.150 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.364 6.160 -0.365 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.524 5.021 -1.269 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.874 5.306 0.334 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.285 3.064 1.038 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.835 3.526 -2.771 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.227 -0.422 -3.581 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.372 0.699 -4.325 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.166 -0.339 0.822 1.00 0.00 H new ATOM 94 P DT A 4 -6.006 6.878 2.126 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.612 7.604 3.263 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.427 7.619 0.983 1.00 0.00 O ATOM 97 O5' DT A 4 -4.908 5.864 2.698 1.00 0.00 O ATOM 98 C5' DT A 4 -5.314 4.889 3.636 1.00 0.00 C ATOM 99 C4' DT A 4 -4.169 3.936 3.953 1.00 0.00 C ATOM 100 O4' DT A 4 -3.712 3.340 2.751 1.00 0.00 O ATOM 101 C3' DT A 4 -3.007 4.707 4.574 1.00 0.00 C ATOM 102 O3' DT A 4 -2.478 3.971 5.654 1.00 0.00 O ATOM 103 C2' DT A 4 -2.028 4.757 3.417 1.00 0.00 C ATOM 104 C1' DT A 4 -2.305 3.420 2.760 1.00 0.00 C ATOM 105 N1 DT A 4 -1.758 3.430 1.396 1.00 0.00 N ATOM 106 C2 DT A 4 -0.773 2.504 1.091 1.00 0.00 C ATOM 107 O2 DT A 4 -0.340 1.701 1.912 1.00 0.00 O ATOM 108 N3 DT A 4 -0.286 2.541 -0.200 1.00 0.00 N ATOM 109 C4 DT A 4 -0.686 3.417 -1.187 1.00 0.00 C ATOM 110 O4 DT A 4 -0.192 3.357 -2.308 1.00 0.00 O ATOM 111 C5 DT A 4 -1.701 4.367 -0.777 1.00 0.00 C ATOM 112 C7 DT A 4 -2.195 5.395 -1.766 1.00 0.00 C ATOM 113 C6 DT A 4 -2.197 4.348 0.481 1.00 0.00 C ATOM 0 H5' DT A 4 -6.161 4.328 3.241 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.652 5.376 4.551 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.524 3.175 4.648 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.263 5.689 4.973 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.221 5.595 2.747 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.995 4.848 3.752 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.852 2.570 3.271 1.00 0.00 H new ATOM 0 H3 DT A 4 0.433 1.860 -0.446 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.232 5.646 -1.542 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.581 6.293 -1.695 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.130 4.989 -2.776 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.950 5.067 0.767 1.00 0.00 H new ATOM 126 P DC A 5 -1.347 4.596 6.612 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.770 4.406 8.017 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.001 5.946 6.117 1.00 0.00 O ATOM 129 O5' DC A 5 -0.087 3.638 6.337 1.00 0.00 O ATOM 130 C5' DC A 5 -0.140 2.287 6.744 1.00 0.00 C ATOM 131 C4' DC A 5 1.251 1.657 6.859 1.00 0.00 C ATOM 132 O4' DC A 5 1.814 1.392 5.587 1.00 0.00 O ATOM 133 C3' DC A 5 2.209 2.588 7.587 1.00 0.00 C ATOM 134 O3' DC A 5 3.151 1.813 8.296 1.00 0.00 O ATOM 135 C2' DC A 5 2.834 3.361 6.434 1.00 0.00 C ATOM 136 C1' DC A 5 2.720 2.420 5.233 1.00 0.00 C ATOM 137 N1 DC A 5 2.240 3.088 3.997 1.00 0.00 N ATOM 138 C2 DC A 5 2.574 2.495 2.787 1.00 0.00 C ATOM 139 O2 DC A 5 3.119 1.395 2.745 1.00 0.00 O ATOM 140 N3 DC A 5 2.397 3.201 1.635 1.00 0.00 N ATOM 141 C4 DC A 5 1.795 4.391 1.660 1.00 0.00 C ATOM 142 N4 DC A 5 1.679 5.046 0.509 1.00 0.00 N ATOM 143 C5 DC A 5 1.288 4.951 2.874 1.00 0.00 C ATOM 144 C6 DC A 5 1.553 4.272 4.018 1.00 0.00 C ATOM 0 H5' DC A 5 -0.736 1.718 6.030 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.647 2.220 7.707 1.00 0.00 H new ATOM 0 H4' DC A 5 1.119 0.726 7.410 1.00 0.00 H new ATOM 0 H3' DC A 5 1.756 3.248 8.327 1.00 0.00 H new ATOM 0 H2' DC A 5 2.308 4.299 6.254 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.874 3.613 6.643 1.00 0.00 H new ATOM 0 H1' DC A 5 3.716 2.041 5.006 1.00 0.00 H new ATOM 0 H41 DC A 5 1.225 5.959 0.485 1.00 0.00 H new ATOM 0 H42 DC A 5 2.044 4.635 -0.350 1.00 0.00 H new ATOM 0 H5 DC A 5 0.721 5.870 2.880 1.00 0.00 H new ATOM 0 H6 DC A 5 1.216 4.673 4.963 1.00 0.00 H new ATOM 156 P DG A 6 4.161 2.486 9.354 1.00 0.00 P ATOM 157 OP1 DG A 6 4.255 1.602 10.537 1.00 0.00 O ATOM 158 OP2 DG A 6 3.798 3.911 9.517 1.00 0.00 O ATOM 159 O5' DG A 6 5.547 2.408 8.560 1.00 0.00 O ATOM 160 C5' DG A 6 6.094 1.146 8.237 1.00 0.00 C ATOM 161 C4' DG A 6 7.283 1.314 7.297 1.00 0.00 C ATOM 162 O4' DG A 6 6.859 2.130 6.225 1.00 0.00 O ATOM 163 C3' DG A 6 8.434 2.023 8.001 1.00 0.00 C ATOM 164 O3' DG A 6 9.671 1.535 7.533 1.00 0.00 O ATOM 165 C2' DG A 6 8.274 3.459 7.561 1.00 0.00 C ATOM 166 C1' DG A 6 7.672 3.286 6.184 1.00 0.00 C ATOM 167 N9 DG A 6 6.840 4.453 5.890 1.00 0.00 N ATOM 168 C8 DG A 6 5.567 4.664 6.316 1.00 0.00 C ATOM 169 N7 DG A 6 4.932 5.603 5.671 1.00 0.00 N ATOM 170 C5 DG A 6 5.898 6.094 4.792 1.00 0.00 C ATOM 171 C6 DG A 6 5.800 7.046 3.735 1.00 0.00 C ATOM 172 O6 DG A 6 4.799 7.624 3.313 1.00 0.00 O ATOM 173 N1 DG A 6 7.011 7.260 3.100 1.00 0.00 N ATOM 174 C2 DG A 6 8.190 6.648 3.444 1.00 0.00 C ATOM 175 N2 DG A 6 9.298 7.055 2.833 1.00 0.00 N ATOM 176 N3 DG A 6 8.279 5.683 4.363 1.00 0.00 N ATOM 177 C4 DG A 6 7.096 5.445 4.984 1.00 0.00 C ATOM 0 H5' DG A 6 5.334 0.522 7.767 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.409 0.634 9.146 1.00 0.00 H new ATOM 0 H4' DG A 6 7.624 0.335 6.962 1.00 0.00 H new ATOM 0 H3' DG A 6 8.418 1.884 9.082 1.00 0.00 H new ATOM 0 H2' DG A 6 7.620 4.022 8.227 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.227 3.987 7.529 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.401 2.000 7.992 1.00 0.00 H new ATOM 0 H1' DG A 6 8.443 3.188 5.420 1.00 0.00 H new ATOM 0 H8 DG A 6 5.119 4.101 7.121 1.00 0.00 H new ATOM 0 H1 DG A 6 7.028 7.919 2.322 1.00 0.00 H new ATOM 0 H21 DG A 6 10.194 6.624 3.062 1.00 0.00 H new ATOM 0 H22 DG A 6 9.252 7.798 2.136 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 7.271 6.168 -4.873 1.00 0.00 O ATOM 191 C5' DC B 1 8.246 7.037 -5.418 1.00 0.00 C ATOM 192 C4' DC B 1 9.472 7.174 -4.506 1.00 0.00 C ATOM 193 O4' DC B 1 9.069 7.677 -3.244 1.00 0.00 O ATOM 194 C3' DC B 1 10.148 5.829 -4.259 1.00 0.00 C ATOM 195 O3' DC B 1 11.474 6.057 -3.831 1.00 0.00 O ATOM 196 C2' DC B 1 9.290 5.337 -3.105 1.00 0.00 C ATOM 197 C1' DC B 1 9.112 6.624 -2.296 1.00 0.00 C ATOM 198 N1 DC B 1 7.858 6.644 -1.511 1.00 0.00 N ATOM 199 C2 DC B 1 7.842 7.329 -0.303 1.00 0.00 C ATOM 200 O2 DC B 1 8.869 7.806 0.176 1.00 0.00 O ATOM 201 N3 DC B 1 6.664 7.436 0.380 1.00 0.00 N ATOM 202 C4 DC B 1 5.539 6.916 -0.123 1.00 0.00 C ATOM 203 N4 DC B 1 4.437 6.940 0.619 1.00 0.00 N ATOM 204 C5 DC B 1 5.535 6.206 -1.360 1.00 0.00 C ATOM 205 C6 DC B 1 6.713 6.096 -2.014 1.00 0.00 C ATOM 0 H5' DC B 1 7.804 8.020 -5.581 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.560 6.663 -6.393 1.00 0.00 H new ATOM 0 H4' DC B 1 10.170 7.846 -5.005 1.00 0.00 H new ATOM 0 H3' DC B 1 10.213 5.150 -5.109 1.00 0.00 H new ATOM 0 H2' DC B 1 8.338 4.930 -3.445 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.784 4.554 -2.529 1.00 0.00 H new ATOM 0 HO5' DC B 1 6.942 6.535 -4.026 1.00 0.00 H new ATOM 0 H1' DC B 1 9.929 6.715 -1.580 1.00 0.00 H new ATOM 0 H41 DC B 1 3.568 6.549 0.255 1.00 0.00 H new ATOM 0 H42 DC B 1 4.460 7.350 1.553 1.00 0.00 H new ATOM 0 H5 DC B 1 4.628 5.774 -1.758 1.00 0.00 H new ATOM 0 H6 DC B 1 6.749 5.564 -2.953 1.00 0.00 H new ATOM 218 P DG B 2 12.612 4.921 -3.941 1.00 0.00 P ATOM 219 OP1 DG B 2 13.728 5.312 -3.052 1.00 0.00 O ATOM 220 OP2 DG B 2 12.869 4.675 -5.377 1.00 0.00 O ATOM 221 O5' DG B 2 11.929 3.604 -3.325 1.00 0.00 O ATOM 222 C5' DG B 2 11.444 2.590 -4.179 1.00 0.00 C ATOM 223 C4' DG B 2 10.699 1.545 -3.357 1.00 0.00 C ATOM 224 O4' DG B 2 9.540 2.147 -2.818 1.00 0.00 O ATOM 225 C3' DG B 2 10.248 0.357 -4.207 1.00 0.00 C ATOM 226 O3' DG B 2 10.572 -0.815 -3.490 1.00 0.00 O ATOM 227 C2' DG B 2 8.742 0.559 -4.296 1.00 0.00 C ATOM 228 C1' DG B 2 8.478 1.235 -2.962 1.00 0.00 C ATOM 229 N9 DG B 2 7.216 1.986 -2.958 1.00 0.00 N ATOM 230 C8 DG B 2 6.760 2.907 -3.860 1.00 0.00 C ATOM 231 N7 DG B 2 5.674 3.531 -3.491 1.00 0.00 N ATOM 232 C5 DG B 2 5.385 2.967 -2.246 1.00 0.00 C ATOM 233 C6 DG B 2 4.340 3.237 -1.312 1.00 0.00 C ATOM 234 O6 DG B 2 3.431 4.064 -1.400 1.00 0.00 O ATOM 235 N1 DG B 2 4.421 2.441 -0.180 1.00 0.00 N ATOM 236 C2 DG B 2 5.419 1.526 0.064 1.00 0.00 C ATOM 237 N2 DG B 2 5.374 0.791 1.166 1.00 0.00 N ATOM 238 N3 DG B 2 6.405 1.274 -0.795 1.00 0.00 N ATOM 239 C4 DG B 2 6.329 2.023 -1.921 1.00 0.00 C ATOM 0 H5' DG B 2 12.271 2.124 -4.714 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.780 3.019 -4.929 1.00 0.00 H new ATOM 0 H4' DG B 2 11.377 1.183 -2.584 1.00 0.00 H new ATOM 0 H3' DG B 2 10.704 0.279 -5.194 1.00 0.00 H new ATOM 0 H2' DG B 2 8.456 1.184 -5.142 1.00 0.00 H new ATOM 0 H2'' DG B 2 8.202 -0.382 -4.398 1.00 0.00 H new ATOM 0 H1' DG B 2 8.407 0.497 -2.163 1.00 0.00 H new ATOM 0 H8 DG B 2 7.257 3.102 -4.799 1.00 0.00 H new ATOM 0 H1 DG B 2 3.688 2.541 0.522 1.00 0.00 H new ATOM 0 H21 DG B 2 6.109 0.110 1.355 1.00 0.00 H new ATOM 0 H22 DG B 2 4.604 0.906 1.825 1.00 0.00 H new ATOM 251 P DA B 3 10.181 -2.280 -4.031 1.00 0.00 P ATOM 252 OP1 DA B 3 11.297 -3.201 -3.726 1.00 0.00 O ATOM 253 OP2 DA B 3 9.680 -2.155 -5.418 1.00 0.00 O ATOM 254 O5' DA B 3 8.946 -2.656 -3.078 1.00 0.00 O ATOM 255 C5' DA B 3 9.181 -2.989 -1.726 1.00 0.00 C ATOM 256 C4' DA B 3 7.876 -3.389 -1.045 1.00 0.00 C ATOM 257 O4' DA B 3 7.017 -2.272 -0.913 1.00 0.00 O ATOM 258 C3' DA B 3 7.156 -4.459 -1.858 1.00 0.00 C ATOM 259 O3' DA B 3 7.175 -5.653 -1.105 1.00 0.00 O ATOM 260 C2' DA B 3 5.772 -3.857 -2.071 1.00 0.00 C ATOM 261 C1' DA B 3 5.682 -2.702 -1.085 1.00 0.00 C ATOM 262 N9 DA B 3 4.935 -1.622 -1.747 1.00 0.00 N ATOM 263 C8 DA B 3 5.184 -1.111 -2.992 1.00 0.00 C ATOM 264 N7 DA B 3 4.342 -0.196 -3.381 1.00 0.00 N ATOM 265 C5 DA B 3 3.496 -0.072 -2.285 1.00 0.00 C ATOM 266 C6 DA B 3 2.400 0.763 -2.030 1.00 0.00 C ATOM 267 N6 DA B 3 1.967 1.623 -2.946 1.00 0.00 N ATOM 268 N1 DA B 3 1.821 0.740 -0.820 1.00 0.00 N ATOM 269 C2 DA B 3 2.290 -0.110 0.092 1.00 0.00 C ATOM 270 N3 DA B 3 3.276 -0.992 -0.043 1.00 0.00 N ATOM 271 C4 DA B 3 3.860 -0.912 -1.267 1.00 0.00 C ATOM 0 H5' DA B 3 9.624 -2.139 -1.207 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.897 -3.809 -1.665 1.00 0.00 H new ATOM 0 H4' DA B 3 8.125 -3.778 -0.058 1.00 0.00 H new ATOM 0 H3' DA B 3 7.595 -4.720 -2.821 1.00 0.00 H new ATOM 0 H2' DA B 3 5.648 -3.510 -3.097 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.990 -4.594 -1.887 1.00 0.00 H new ATOM 0 H1' DA B 3 5.204 -2.971 -0.143 1.00 0.00 H new ATOM 0 H8 DA B 3 6.012 -1.440 -3.603 1.00 0.00 H new ATOM 0 H61 DA B 3 1.168 2.224 -2.744 1.00 0.00 H new ATOM 0 H62 DA B 3 2.434 1.682 -3.851 1.00 0.00 H new ATOM 0 H2 DA B 3 1.811 -0.079 1.059 1.00 0.00 H new ATOM 283 P DT B 4 6.100 -6.831 -1.317 1.00 0.00 P ATOM 284 OP1 DT B 4 6.622 -8.067 -0.696 1.00 0.00 O ATOM 285 OP2 DT B 4 5.640 -6.831 -2.724 1.00 0.00 O ATOM 286 O5' DT B 4 4.937 -6.245 -0.386 1.00 0.00 O ATOM 287 C5' DT B 4 5.264 -5.840 0.927 1.00 0.00 C ATOM 288 C4' DT B 4 4.052 -5.244 1.631 1.00 0.00 C ATOM 289 O4' DT B 4 3.565 -4.137 0.890 1.00 0.00 O ATOM 290 C3' DT B 4 2.938 -6.283 1.709 1.00 0.00 C ATOM 291 O3' DT B 4 2.322 -6.186 2.971 1.00 0.00 O ATOM 292 C2' DT B 4 1.997 -5.789 0.626 1.00 0.00 C ATOM 293 C1' DT B 4 2.165 -4.292 0.794 1.00 0.00 C ATOM 294 N1 DT B 4 1.624 -3.592 -0.379 1.00 0.00 N ATOM 295 C2 DT B 4 0.603 -2.672 -0.176 1.00 0.00 C ATOM 296 O2 DT B 4 0.098 -2.480 0.926 1.00 0.00 O ATOM 297 N3 DT B 4 0.164 -1.990 -1.298 1.00 0.00 N ATOM 298 C4 DT B 4 0.657 -2.159 -2.576 1.00 0.00 C ATOM 299 O4 DT B 4 0.226 -1.488 -3.505 1.00 0.00 O ATOM 300 C5 DT B 4 1.696 -3.159 -2.702 1.00 0.00 C ATOM 301 C7 DT B 4 2.291 -3.435 -4.059 1.00 0.00 C ATOM 302 C6 DT B 4 2.141 -3.836 -1.620 1.00 0.00 C ATOM 0 H5' DT B 4 6.069 -5.105 0.895 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.635 -6.694 1.493 1.00 0.00 H new ATOM 0 H4' DT B 4 4.350 -4.931 2.632 1.00 0.00 H new ATOM 0 H3' DT B 4 3.253 -7.319 1.582 1.00 0.00 H new ATOM 0 H2' DT B 4 2.288 -6.132 -0.367 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.969 -6.114 0.787 1.00 0.00 H new ATOM 0 H1' DT B 4 1.640 -3.881 1.656 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.584 -1.308 -1.170 1.00 0.00 H new ATOM 0 H71 DT B 4 3.327 -3.755 -3.944 1.00 0.00 H new ATOM 0 H72 DT B 4 1.721 -4.222 -4.553 1.00 0.00 H new ATOM 0 H73 DT B 4 2.256 -2.528 -4.663 1.00 0.00 H new ATOM 0 H6 DT B 4 2.915 -4.580 -1.738 1.00 0.00 H new ATOM 315 P DC B 5 1.156 -7.199 3.413 1.00 0.00 P ATOM 316 OP1 DC B 5 1.755 -8.306 4.190 1.00 0.00 O ATOM 317 OP2 DC B 5 0.297 -7.487 2.242 1.00 0.00 O ATOM 318 O5' DC B 5 0.319 -6.259 4.400 1.00 0.00 O ATOM 319 C5' DC B 5 -0.234 -5.062 3.905 1.00 0.00 C ATOM 320 C4' DC B 5 -1.410 -4.627 4.771 1.00 0.00 C ATOM 321 O4' DC B 5 -2.240 -3.756 4.030 1.00 0.00 O ATOM 322 C3' DC B 5 -2.288 -5.836 5.054 1.00 0.00 C ATOM 323 O3' DC B 5 -3.113 -5.560 6.164 1.00 0.00 O ATOM 324 C2' DC B 5 -3.082 -5.953 3.756 1.00 0.00 C ATOM 325 C1' DC B 5 -3.049 -4.539 3.167 1.00 0.00 C ATOM 326 N1 DC B 5 -2.517 -4.497 1.778 1.00 0.00 N ATOM 327 C2 DC B 5 -2.870 -3.399 1.004 1.00 0.00 C ATOM 328 O2 DC B 5 -3.514 -2.469 1.483 1.00 0.00 O ATOM 329 N3 DC B 5 -2.585 -3.407 -0.330 1.00 0.00 N ATOM 330 C4 DC B 5 -1.904 -4.418 -0.871 1.00 0.00 C ATOM 331 N4 DC B 5 -1.684 -4.388 -2.182 1.00 0.00 N ATOM 332 C5 DC B 5 -1.438 -5.514 -0.080 1.00 0.00 C ATOM 333 C6 DC B 5 -1.785 -5.519 1.230 1.00 0.00 C ATOM 0 H5' DC B 5 -0.564 -5.204 2.876 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.526 -4.280 3.891 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.018 -4.164 5.676 1.00 0.00 H new ATOM 0 H3' DC B 5 -1.757 -6.755 5.305 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.632 -6.678 3.078 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.104 -6.283 3.943 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.067 -4.154 3.100 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.167 -5.144 -2.630 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.033 -3.608 -2.740 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.836 -6.303 -0.507 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.479 -6.345 1.855 1.00 0.00 H new ATOM 345 P DG B 6 -4.001 -6.719 6.834 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.541 -6.214 8.115 1.00 0.00 O ATOM 347 OP2 DG B 6 -3.225 -7.979 6.800 1.00 0.00 O ATOM 348 O5' DG B 6 -5.206 -6.832 5.786 1.00 0.00 O ATOM 349 C5' DG B 6 -6.080 -5.739 5.609 1.00 0.00 C ATOM 350 C4' DG B 6 -7.088 -6.041 4.505 1.00 0.00 C ATOM 351 O4' DG B 6 -6.448 -6.211 3.261 1.00 0.00 O ATOM 352 C3' DG B 6 -7.868 -7.314 4.769 1.00 0.00 C ATOM 353 O3' DG B 6 -9.228 -7.013 4.978 1.00 0.00 O ATOM 354 C2' DG B 6 -7.718 -8.117 3.490 1.00 0.00 C ATOM 355 C1' DG B 6 -7.303 -7.043 2.508 1.00 0.00 C ATOM 356 N9 DG B 6 -6.549 -7.615 1.387 1.00 0.00 N ATOM 357 C8 DG B 6 -5.219 -7.908 1.380 1.00 0.00 C ATOM 358 N7 DG B 6 -4.719 -8.126 0.197 1.00 0.00 N ATOM 359 C5 DG B 6 -5.822 -7.995 -0.645 1.00 0.00 C ATOM 360 C6 DG B 6 -5.900 -7.975 -2.068 1.00 0.00 C ATOM 361 O6 DG B 6 -4.983 -8.051 -2.885 1.00 0.00 O ATOM 362 N1 DG B 6 -7.190 -7.775 -2.528 1.00 0.00 N ATOM 363 C2 DG B 6 -8.293 -7.643 -1.721 1.00 0.00 C ATOM 364 N2 DG B 6 -9.482 -7.571 -2.311 1.00 0.00 N ATOM 365 N3 DG B 6 -8.225 -7.576 -0.387 1.00 0.00 N ATOM 366 C4 DG B 6 -6.960 -7.739 0.084 1.00 0.00 C ATOM 0 H5' DG B 6 -5.509 -4.846 5.355 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.604 -5.529 6.541 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.762 -5.185 4.488 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.510 -7.846 5.651 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.966 -8.901 3.583 1.00 0.00 H new ATOM 0 H2'' DG B 6 -8.649 -8.602 3.198 1.00 0.00 H new ATOM 0 HO3' DG B 6 -9.724 -7.841 5.146 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.162 -6.525 2.083 1.00 0.00 H new ATOM 0 H8 DG B 6 -4.627 -7.956 2.282 1.00 0.00 H new ATOM 0 H1 DG B 6 -7.331 -7.722 -3.537 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.326 -7.473 -1.747 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.550 -7.614 -3.328 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.522 1.787 3.178 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.591 2.339 2.464 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.093 3.251 1.532 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.745 3.403 1.796 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.774 4.287 1.301 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.532 4.367 1.945 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.274 3.547 3.052 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.214 2.591 3.467 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.440 2.559 2.841 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.869 1.908 2.849 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.989 2.624 2.469 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.977 0.918 3.751 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.869 0.426 4.300 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.607 0.800 4.106 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.994 3.887 1.747 1.00 0.00 C HETATM 394 C7 PPZ A 7 11.027 4.888 2.389 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.632 5.614 3.438 1.00 0.00 O HETATM 0 H8 PPZ A 7 11.089 5.530 4.250 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.667 5.582 1.629 1.00 0.00 H new HETATM 0 H71 PPZ A 7 10.157 4.356 2.772 1.00 0.00 H new HETATM 0 H62 PPZ A 7 13.002 4.302 1.740 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.712 3.718 0.708 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.896 2.230 2.718 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.015 -0.394 5.003 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.983 4.904 0.427 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.772 5.062 1.588 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.335 3.653 3.595 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.979 1.889 4.267 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.309 -3.903 1.340 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.451 -3.838 0.533 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.066 -3.893 -0.807 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.708 -4.150 -0.829 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.815 -4.445 -1.870 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.511 -4.847 -1.559 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.113 -4.931 -0.218 1.00 0.00 C HETATM 414 C10 PPZ B 7 -5.994 -4.559 0.812 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.281 -4.197 0.479 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.677 -3.769 1.212 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.860 -4.001 0.536 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.677 -3.654 2.549 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.511 -3.666 3.192 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.285 -3.809 2.694 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.980 -4.438 -0.846 1.00 0.00 C HETATM 422 C7 PPZ B 7 -11.071 -5.644 -1.105 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.670 -6.850 -0.681 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.107 -7.273 0.001 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.843 -5.706 -2.169 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.124 -5.505 -0.583 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -13.015 -4.702 -1.062 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.712 -3.622 -1.517 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.727 -3.852 1.053 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.568 -3.542 4.273 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -7.133 -4.362 -2.909 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.809 -5.093 -2.355 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.113 -5.287 0.028 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.666 -4.557 1.852 1.00 0.00 H new