USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=7 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 -32:sc= 0.0247 USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.709 (180deg=-1.82) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -130:sc= 0.579 USER MOD Single : B 1 DC O5' : rot -22:sc= 0.0997 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 -126:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.664 -4.064 -10.070 1.00 0.00 O ATOM 2 C5' DC A 1 -9.008 -2.900 -9.343 1.00 0.00 C ATOM 3 C4' DC A 1 -9.994 -3.227 -8.218 1.00 0.00 C ATOM 4 O4' DC A 1 -9.443 -4.245 -7.399 1.00 0.00 O ATOM 5 C3' DC A 1 -10.215 -1.995 -7.350 1.00 0.00 C ATOM 6 O3' DC A 1 -11.468 -2.131 -6.716 1.00 0.00 O ATOM 7 C2' DC A 1 -9.068 -2.178 -6.368 1.00 0.00 C ATOM 8 C1' DC A 1 -9.114 -3.692 -6.139 1.00 0.00 C ATOM 9 N1 DC A 1 -7.817 -4.238 -5.676 1.00 0.00 N ATOM 10 C2 DC A 1 -7.773 -5.530 -5.158 1.00 0.00 C ATOM 11 O2 DC A 1 -8.794 -6.204 -5.023 1.00 0.00 O ATOM 12 N3 DC A 1 -6.573 -6.041 -4.752 1.00 0.00 N ATOM 13 C4 DC A 1 -5.456 -5.312 -4.864 1.00 0.00 C ATOM 14 N4 DC A 1 -4.326 -5.776 -4.341 1.00 0.00 N ATOM 15 C5 DC A 1 -5.484 -3.982 -5.372 1.00 0.00 C ATOM 16 C6 DC A 1 -6.678 -3.490 -5.765 1.00 0.00 C ATOM 0 H5' DC A 1 -9.449 -2.164 -10.015 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.108 -2.450 -8.923 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.938 -3.551 -8.657 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.225 -1.025 -7.847 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.114 -1.853 -6.784 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.222 -1.617 -5.446 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.673 -4.839 -9.470 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.835 -3.937 -5.359 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.467 -5.232 -4.419 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.318 -6.677 -3.862 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.584 -3.389 -5.440 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.734 -2.485 -6.157 1.00 0.00 H new ATOM 29 P DG A 2 -12.261 -0.861 -6.122 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.462 -1.367 -5.423 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.408 0.129 -7.212 1.00 0.00 O ATOM 32 O5' DG A 2 -11.269 -0.249 -5.020 1.00 0.00 O ATOM 33 C5' DG A 2 -10.574 0.952 -5.277 1.00 0.00 C ATOM 34 C4' DG A 2 -9.691 1.285 -4.081 1.00 0.00 C ATOM 35 O4' DG A 2 -8.664 0.314 -3.998 1.00 0.00 O ATOM 36 C3' DG A 2 -9.009 2.647 -4.244 1.00 0.00 C ATOM 37 O3' DG A 2 -9.015 3.297 -2.992 1.00 0.00 O ATOM 38 C2' DG A 2 -7.588 2.252 -4.613 1.00 0.00 C ATOM 39 C1' DG A 2 -7.468 1.011 -3.746 1.00 0.00 C ATOM 40 N9 DG A 2 -6.302 0.181 -4.081 1.00 0.00 N ATOM 41 C8 DG A 2 -5.778 -0.142 -5.302 1.00 0.00 C ATOM 42 N7 DG A 2 -4.787 -0.992 -5.247 1.00 0.00 N ATOM 43 C5 DG A 2 -4.649 -1.253 -3.883 1.00 0.00 C ATOM 44 C6 DG A 2 -3.784 -2.145 -3.175 1.00 0.00 C ATOM 45 O6 DG A 2 -2.963 -2.944 -3.629 1.00 0.00 O ATOM 46 N1 DG A 2 -3.964 -2.076 -1.802 1.00 0.00 N ATOM 47 C2 DG A 2 -4.939 -1.332 -1.179 1.00 0.00 C ATOM 48 N2 DG A 2 -5.036 -1.366 0.143 1.00 0.00 N ATOM 49 N3 DG A 2 -5.772 -0.525 -1.831 1.00 0.00 N ATOM 50 C4 DG A 2 -5.574 -0.531 -3.171 1.00 0.00 C ATOM 0 H5' DG A 2 -11.279 1.762 -5.460 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.966 0.849 -6.176 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.322 1.301 -3.192 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.478 3.312 -4.970 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.470 2.039 -5.675 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.856 3.019 -4.359 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.322 1.271 -2.698 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.150 0.269 -6.229 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.329 -2.615 -1.213 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.755 -0.818 0.616 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.392 -1.940 0.687 1.00 0.00 H new ATOM 62 P DA A 3 -8.327 4.739 -2.785 1.00 0.00 P ATOM 63 OP1 DA A 3 -8.961 5.686 -3.728 1.00 0.00 O ATOM 64 OP2 DA A 3 -6.858 4.570 -2.798 1.00 0.00 O ATOM 65 O5' DA A 3 -8.790 5.134 -1.296 1.00 0.00 O ATOM 66 C5' DA A 3 -8.855 4.174 -0.258 1.00 0.00 C ATOM 67 C4' DA A 3 -7.512 3.874 0.416 1.00 0.00 C ATOM 68 O4' DA A 3 -6.714 2.957 -0.306 1.00 0.00 O ATOM 69 C3' DA A 3 -6.662 5.116 0.664 1.00 0.00 C ATOM 70 O3' DA A 3 -6.394 5.119 2.044 1.00 0.00 O ATOM 71 C2' DA A 3 -5.398 4.820 -0.135 1.00 0.00 C ATOM 72 C1' DA A 3 -5.364 3.299 -0.060 1.00 0.00 C ATOM 73 N9 DA A 3 -4.512 2.714 -1.111 1.00 0.00 N ATOM 74 C8 DA A 3 -4.525 2.983 -2.456 1.00 0.00 C ATOM 75 N7 DA A 3 -3.671 2.293 -3.157 1.00 0.00 N ATOM 76 C5 DA A 3 -3.053 1.503 -2.196 1.00 0.00 C ATOM 77 C6 DA A 3 -2.042 0.539 -2.279 1.00 0.00 C ATOM 78 N6 DA A 3 -1.495 0.240 -3.453 1.00 0.00 N ATOM 79 N1 DA A 3 -1.669 -0.128 -1.174 1.00 0.00 N ATOM 80 C2 DA A 3 -2.268 0.176 -0.021 1.00 0.00 C ATOM 81 N3 DA A 3 -3.213 1.090 0.195 1.00 0.00 N ATOM 82 C4 DA A 3 -3.575 1.722 -0.951 1.00 0.00 C ATOM 0 H5' DA A 3 -9.259 3.246 -0.663 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.557 4.523 0.499 1.00 0.00 H new ATOM 0 H4' DA A 3 -7.809 3.437 1.369 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.102 6.073 0.384 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.463 5.182 -1.161 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.513 5.276 0.308 1.00 0.00 H new ATOM 0 H1' DA A 3 -4.961 2.936 0.885 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.191 3.709 -2.899 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.758 -0.463 -3.508 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.812 0.714 -4.299 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.948 -0.388 0.843 1.00 0.00 H new ATOM 94 P DT A 4 -5.515 6.263 2.746 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.245 7.544 2.637 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.121 6.163 2.256 1.00 0.00 O ATOM 97 O5' DT A 4 -5.579 5.768 4.277 1.00 0.00 O ATOM 98 C5' DT A 4 -5.618 4.390 4.607 1.00 0.00 C ATOM 99 C4' DT A 4 -4.258 3.700 4.482 1.00 0.00 C ATOM 100 O4' DT A 4 -3.893 3.406 3.146 1.00 0.00 O ATOM 101 C3' DT A 4 -3.146 4.568 5.073 1.00 0.00 C ATOM 102 O3' DT A 4 -2.608 3.929 6.208 1.00 0.00 O ATOM 103 C2' DT A 4 -2.147 4.616 3.928 1.00 0.00 C ATOM 104 C1' DT A 4 -2.485 3.352 3.173 1.00 0.00 C ATOM 105 N1 DT A 4 -1.872 3.404 1.839 1.00 0.00 N ATOM 106 C2 DT A 4 -0.879 2.480 1.545 1.00 0.00 C ATOM 107 O2 DT A 4 -0.485 1.651 2.359 1.00 0.00 O ATOM 108 N3 DT A 4 -0.338 2.549 0.273 1.00 0.00 N ATOM 109 C4 DT A 4 -0.705 3.457 -0.701 1.00 0.00 C ATOM 110 O4 DT A 4 -0.212 3.399 -1.821 1.00 0.00 O ATOM 111 C5 DT A 4 -1.706 4.421 -0.291 1.00 0.00 C ATOM 112 C7 DT A 4 -2.175 5.471 -1.270 1.00 0.00 C ATOM 113 C6 DT A 4 -2.249 4.366 0.945 1.00 0.00 C ATOM 0 H5' DT A 4 -6.334 3.888 3.956 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.982 4.278 5.628 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.369 2.765 5.031 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.458 5.558 5.407 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.273 5.507 3.312 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.117 4.617 4.284 1.00 0.00 H new ATOM 0 H1' DT A 4 -2.119 2.422 3.609 1.00 0.00 H new ATOM 0 H3 DT A 4 0.390 1.875 0.036 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.367 5.711 -1.961 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.030 5.091 -1.829 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.467 6.370 -0.727 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.993 5.094 1.231 1.00 0.00 H new ATOM 126 P DC A 5 -1.459 4.625 7.093 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.854 4.549 8.517 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.107 5.928 6.486 1.00 0.00 O ATOM 129 O5' DC A 5 -0.228 3.623 6.859 1.00 0.00 O ATOM 130 C5' DC A 5 -0.341 2.285 7.294 1.00 0.00 C ATOM 131 C4' DC A 5 0.999 1.548 7.300 1.00 0.00 C ATOM 132 O4' DC A 5 1.481 1.318 5.989 1.00 0.00 O ATOM 133 C3' DC A 5 2.056 2.358 8.032 1.00 0.00 C ATOM 134 O3' DC A 5 2.957 1.456 8.635 1.00 0.00 O ATOM 135 C2' DC A 5 2.675 3.162 6.895 1.00 0.00 C ATOM 136 C1' DC A 5 2.497 2.255 5.676 1.00 0.00 C ATOM 137 N1 DC A 5 2.103 2.983 4.446 1.00 0.00 N ATOM 138 C2 DC A 5 2.477 2.428 3.231 1.00 0.00 C ATOM 139 O2 DC A 5 3.058 1.347 3.178 1.00 0.00 O ATOM 140 N3 DC A 5 2.281 3.145 2.087 1.00 0.00 N ATOM 141 C4 DC A 5 1.670 4.331 2.134 1.00 0.00 C ATOM 142 N4 DC A 5 1.564 5.014 1.000 1.00 0.00 N ATOM 143 C5 DC A 5 1.144 4.858 3.356 1.00 0.00 C ATOM 144 C6 DC A 5 1.393 4.151 4.485 1.00 0.00 C ATOM 0 H5' DC A 5 -1.039 1.755 6.646 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.764 2.269 8.299 1.00 0.00 H new ATOM 0 H4' DC A 5 0.821 0.596 7.801 1.00 0.00 H new ATOM 0 H3' DC A 5 1.705 3.006 8.835 1.00 0.00 H new ATOM 0 H2' DC A 5 2.171 4.119 6.760 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.726 3.379 7.083 1.00 0.00 H new ATOM 0 H1' DC A 5 3.458 1.786 5.467 1.00 0.00 H new ATOM 0 H41 DC A 5 1.104 5.924 0.994 1.00 0.00 H new ATOM 0 H42 DC A 5 1.943 4.628 0.135 1.00 0.00 H new ATOM 0 H5 DC A 5 0.575 5.776 3.378 1.00 0.00 H new ATOM 0 H6 DC A 5 1.024 4.516 5.432 1.00 0.00 H new ATOM 156 P DG A 6 3.995 1.952 9.756 1.00 0.00 P ATOM 157 OP1 DG A 6 4.466 0.772 10.513 1.00 0.00 O ATOM 158 OP2 DG A 6 3.397 3.102 10.470 1.00 0.00 O ATOM 159 O5' DG A 6 5.199 2.482 8.847 1.00 0.00 O ATOM 160 C5' DG A 6 5.956 1.564 8.090 1.00 0.00 C ATOM 161 C4' DG A 6 6.917 2.315 7.177 1.00 0.00 C ATOM 162 O4' DG A 6 6.208 3.144 6.284 1.00 0.00 O ATOM 163 C3' DG A 6 7.844 3.217 7.968 1.00 0.00 C ATOM 164 O3' DG A 6 9.172 2.752 7.886 1.00 0.00 O ATOM 165 C2' DG A 6 7.730 4.567 7.290 1.00 0.00 C ATOM 166 C1' DG A 6 7.086 4.202 5.971 1.00 0.00 C ATOM 167 N9 DG A 6 6.319 5.336 5.442 1.00 0.00 N ATOM 168 C8 DG A 6 5.003 5.592 5.677 1.00 0.00 C ATOM 169 N7 DG A 6 4.466 6.453 4.860 1.00 0.00 N ATOM 170 C5 DG A 6 5.535 6.828 4.047 1.00 0.00 C ATOM 171 C6 DG A 6 5.562 7.629 2.867 1.00 0.00 C ATOM 172 O6 DG A 6 4.616 8.141 2.270 1.00 0.00 O ATOM 173 N1 DG A 6 6.834 7.749 2.336 1.00 0.00 N ATOM 174 C2 DG A 6 7.962 7.180 2.873 1.00 0.00 C ATOM 175 N2 DG A 6 9.127 7.474 2.305 1.00 0.00 N ATOM 176 N3 DG A 6 7.937 6.345 3.919 1.00 0.00 N ATOM 177 C4 DG A 6 6.692 6.201 4.445 1.00 0.00 C ATOM 0 H5' DG A 6 5.293 0.935 7.496 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.513 0.903 8.754 1.00 0.00 H new ATOM 0 H4' DG A 6 7.490 1.558 6.642 1.00 0.00 H new ATOM 0 H3' DG A 6 7.581 3.252 9.025 1.00 0.00 H new ATOM 0 H2' DG A 6 7.118 5.262 7.865 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.703 5.038 7.153 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.759 3.345 8.400 1.00 0.00 H new ATOM 0 H1' DG A 6 7.825 3.931 5.217 1.00 0.00 H new ATOM 0 H8 DG A 6 4.449 5.120 6.475 1.00 0.00 H new ATOM 0 H1 DG A 6 6.941 8.300 1.484 1.00 0.00 H new ATOM 0 H21 DG A 6 9.989 7.073 2.673 1.00 0.00 H new ATOM 0 H22 DG A 6 9.159 8.101 1.501 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 8.169 8.355 -5.707 1.00 0.00 O ATOM 191 C5' DC B 1 8.897 7.145 -5.800 1.00 0.00 C ATOM 192 C4' DC B 1 10.011 7.079 -4.749 1.00 0.00 C ATOM 193 O4' DC B 1 9.502 7.515 -3.500 1.00 0.00 O ATOM 194 C3' DC B 1 10.442 5.630 -4.554 1.00 0.00 C ATOM 195 O3' DC B 1 11.680 5.621 -3.877 1.00 0.00 O ATOM 196 C2' DC B 1 9.319 5.177 -3.637 1.00 0.00 C ATOM 197 C1' DC B 1 9.222 6.382 -2.699 1.00 0.00 C ATOM 198 N1 DC B 1 7.887 6.527 -2.081 1.00 0.00 N ATOM 199 C2 DC B 1 7.763 7.327 -0.951 1.00 0.00 C ATOM 200 O2 DC B 1 8.741 7.867 -0.435 1.00 0.00 O ATOM 201 N3 DC B 1 6.534 7.478 -0.380 1.00 0.00 N ATOM 202 C4 DC B 1 5.462 6.875 -0.906 1.00 0.00 C ATOM 203 N4 DC B 1 4.312 6.923 -0.243 1.00 0.00 N ATOM 204 C5 DC B 1 5.572 6.034 -2.052 1.00 0.00 C ATOM 205 C6 DC B 1 6.796 5.892 -2.604 1.00 0.00 C ATOM 0 H5' DC B 1 9.329 7.055 -6.797 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.220 6.301 -5.668 1.00 0.00 H new ATOM 0 H4' DC B 1 10.842 7.700 -5.084 1.00 0.00 H new ATOM 0 H3' DC B 1 10.578 5.024 -5.450 1.00 0.00 H new ATOM 0 H2' DC B 1 8.390 4.996 -4.177 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.563 4.257 -3.106 1.00 0.00 H new ATOM 0 HO5' DC B 1 8.276 8.733 -4.809 1.00 0.00 H new ATOM 0 H1' DC B 1 9.921 6.261 -1.871 1.00 0.00 H new ATOM 0 H41 DC B 1 3.483 6.470 -0.627 1.00 0.00 H new ATOM 0 H42 DC B 1 4.258 7.413 0.650 1.00 0.00 H new ATOM 0 H5 DC B 1 4.710 5.530 -2.463 1.00 0.00 H new ATOM 0 H6 DC B 1 6.915 5.265 -3.475 1.00 0.00 H new ATOM 218 P DG B 2 12.660 4.345 -3.915 1.00 0.00 P ATOM 219 OP1 DG B 2 13.748 4.581 -2.941 1.00 0.00 O ATOM 220 OP2 DG B 2 12.985 4.059 -5.330 1.00 0.00 O ATOM 221 O5' DG B 2 11.746 3.150 -3.355 1.00 0.00 O ATOM 222 C5' DG B 2 11.138 2.244 -4.249 1.00 0.00 C ATOM 223 C4' DG B 2 10.243 1.286 -3.472 1.00 0.00 C ATOM 224 O4' DG B 2 9.127 1.985 -2.953 1.00 0.00 O ATOM 225 C3' DG B 2 9.699 0.176 -4.372 1.00 0.00 C ATOM 226 O3' DG B 2 10.109 -1.062 -3.836 1.00 0.00 O ATOM 227 C2' DG B 2 8.189 0.356 -4.267 1.00 0.00 C ATOM 228 C1' DG B 2 8.051 1.075 -2.934 1.00 0.00 C ATOM 229 N9 DG B 2 6.778 1.810 -2.846 1.00 0.00 N ATOM 230 C8 DG B 2 6.219 2.652 -3.765 1.00 0.00 C ATOM 231 N7 DG B 2 5.161 3.286 -3.339 1.00 0.00 N ATOM 232 C5 DG B 2 4.996 2.812 -2.038 1.00 0.00 C ATOM 233 C6 DG B 2 4.049 3.159 -1.027 1.00 0.00 C ATOM 234 O6 DG B 2 3.196 4.050 -1.044 1.00 0.00 O ATOM 235 N1 DG B 2 4.170 2.365 0.103 1.00 0.00 N ATOM 236 C2 DG B 2 5.171 1.442 0.303 1.00 0.00 C ATOM 237 N2 DG B 2 5.182 0.736 1.426 1.00 0.00 N ATOM 238 N3 DG B 2 6.107 1.164 -0.605 1.00 0.00 N ATOM 239 C4 DG B 2 5.961 1.876 -1.749 1.00 0.00 C ATOM 0 H5' DG B 2 11.900 1.686 -4.793 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.551 2.787 -4.990 1.00 0.00 H new ATOM 0 H4' DG B 2 10.849 0.854 -2.676 1.00 0.00 H new ATOM 0 H3' DG B 2 10.042 0.210 -5.406 1.00 0.00 H new ATOM 0 H2' DG B 2 7.790 0.945 -5.092 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.662 -0.598 -4.273 1.00 0.00 H new ATOM 0 H1' DG B 2 8.061 0.389 -2.087 1.00 0.00 H new ATOM 0 H8 DG B 2 6.619 2.782 -4.760 1.00 0.00 H new ATOM 0 H1 DG B 2 3.469 2.472 0.836 1.00 0.00 H new ATOM 0 H21 DG B 2 5.917 0.048 1.589 1.00 0.00 H new ATOM 0 H22 DG B 2 4.455 0.881 2.127 1.00 0.00 H new ATOM 251 P DA B 3 9.713 -2.462 -4.529 1.00 0.00 P ATOM 252 OP1 DA B 3 10.956 -3.198 -4.844 1.00 0.00 O ATOM 253 OP2 DA B 3 8.707 -2.212 -5.585 1.00 0.00 O ATOM 254 O5' DA B 3 8.983 -3.194 -3.304 1.00 0.00 O ATOM 255 C5' DA B 3 7.934 -2.553 -2.619 1.00 0.00 C ATOM 256 C4' DA B 3 7.525 -3.417 -1.433 1.00 0.00 C ATOM 257 O4' DA B 3 6.624 -2.714 -0.595 1.00 0.00 O ATOM 258 C3' DA B 3 6.814 -4.661 -1.933 1.00 0.00 C ATOM 259 O3' DA B 3 7.003 -5.707 -1.006 1.00 0.00 O ATOM 260 C2' DA B 3 5.380 -4.165 -1.987 1.00 0.00 C ATOM 261 C1' DA B 3 5.294 -3.058 -0.940 1.00 0.00 C ATOM 262 N9 DA B 3 4.602 -1.910 -1.550 1.00 0.00 N ATOM 263 C8 DA B 3 4.768 -1.416 -2.818 1.00 0.00 C ATOM 264 N7 DA B 3 3.959 -0.446 -3.132 1.00 0.00 N ATOM 265 C5 DA B 3 3.208 -0.282 -1.974 1.00 0.00 C ATOM 266 C6 DA B 3 2.158 0.585 -1.646 1.00 0.00 C ATOM 267 N6 DA B 3 1.704 1.457 -2.540 1.00 0.00 N ATOM 268 N1 DA B 3 1.635 0.557 -0.408 1.00 0.00 N ATOM 269 C2 DA B 3 2.123 -0.332 0.459 1.00 0.00 C ATOM 270 N3 DA B 3 3.081 -1.235 0.259 1.00 0.00 N ATOM 271 C4 DA B 3 3.601 -1.149 -0.992 1.00 0.00 C ATOM 0 H5' DA B 3 7.085 -2.400 -3.286 1.00 0.00 H new ATOM 0 H5'' DA B 3 8.252 -1.568 -2.277 1.00 0.00 H new ATOM 0 H4' DA B 3 8.425 -3.679 -0.877 1.00 0.00 H new ATOM 0 H3' DA B 3 7.156 -5.066 -2.885 1.00 0.00 H new ATOM 0 H2' DA B 3 5.132 -3.788 -2.979 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.678 -4.969 -1.767 1.00 0.00 H new ATOM 0 H1' DA B 3 4.747 -3.367 -0.049 1.00 0.00 H new ATOM 0 H8 DA B 3 5.510 -1.801 -3.501 1.00 0.00 H new ATOM 0 H61 DA B 3 0.939 2.086 -2.296 1.00 0.00 H new ATOM 0 H62 DA B 3 2.120 1.497 -3.470 1.00 0.00 H new ATOM 0 H2 DA B 3 1.686 -0.317 1.447 1.00 0.00 H new ATOM 283 P DT B 4 6.226 -7.107 -1.150 1.00 0.00 P ATOM 284 OP1 DT B 4 6.966 -8.142 -0.395 1.00 0.00 O ATOM 285 OP2 DT B 4 5.879 -7.321 -2.572 1.00 0.00 O ATOM 286 O5' DT B 4 4.891 -6.748 -0.342 1.00 0.00 O ATOM 287 C5' DT B 4 4.994 -6.382 1.016 1.00 0.00 C ATOM 288 C4' DT B 4 3.667 -5.824 1.512 1.00 0.00 C ATOM 289 O4' DT B 4 3.304 -4.693 0.746 1.00 0.00 O ATOM 290 C3' DT B 4 2.551 -6.858 1.382 1.00 0.00 C ATOM 291 O3' DT B 4 2.075 -7.157 2.674 1.00 0.00 O ATOM 292 C2' DT B 4 1.522 -6.134 0.527 1.00 0.00 C ATOM 293 C1' DT B 4 1.897 -4.674 0.682 1.00 0.00 C ATOM 294 N1 DT B 4 1.470 -3.949 -0.522 1.00 0.00 N ATOM 295 C2 DT B 4 0.585 -2.892 -0.376 1.00 0.00 C ATOM 296 O2 DT B 4 0.116 -2.570 0.711 1.00 0.00 O ATOM 297 N3 DT B 4 0.263 -2.208 -1.533 1.00 0.00 N ATOM 298 C4 DT B 4 0.740 -2.501 -2.797 1.00 0.00 C ATOM 299 O4 DT B 4 0.415 -1.815 -3.759 1.00 0.00 O ATOM 300 C5 DT B 4 1.634 -3.639 -2.861 1.00 0.00 C ATOM 301 C7 DT B 4 2.197 -4.070 -4.194 1.00 0.00 C ATOM 302 C6 DT B 4 1.965 -4.317 -1.741 1.00 0.00 C ATOM 0 H5' DT B 4 5.780 -5.637 1.141 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.279 -7.248 1.613 1.00 0.00 H new ATOM 0 H4' DT B 4 3.795 -5.556 2.561 1.00 0.00 H new ATOM 0 H3' DT B 4 2.838 -7.811 0.937 1.00 0.00 H new ATOM 0 H2' DT B 4 1.570 -6.452 -0.514 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.506 -6.326 0.873 1.00 0.00 H new ATOM 0 H1' DT B 4 1.441 -4.196 1.549 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.380 -1.421 -1.447 1.00 0.00 H new ATOM 0 H71 DT B 4 3.178 -4.521 -4.046 1.00 0.00 H new ATOM 0 H72 DT B 4 1.528 -4.798 -4.653 1.00 0.00 H new ATOM 0 H73 DT B 4 2.292 -3.202 -4.847 1.00 0.00 H new ATOM 0 H6 DT B 4 2.632 -5.164 -1.810 1.00 0.00 H new ATOM 315 P DC B 5 0.842 -8.161 2.919 1.00 0.00 P ATOM 316 OP1 DC B 5 1.166 -9.036 4.066 1.00 0.00 O ATOM 317 OP2 DC B 5 0.426 -8.747 1.625 1.00 0.00 O ATOM 318 O5' DC B 5 -0.289 -7.122 3.382 1.00 0.00 O ATOM 319 C5' DC B 5 -0.045 -6.299 4.503 1.00 0.00 C ATOM 320 C4' DC B 5 -1.257 -5.450 4.889 1.00 0.00 C ATOM 321 O4' DC B 5 -1.597 -4.536 3.862 1.00 0.00 O ATOM 322 C3' DC B 5 -2.477 -6.321 5.134 1.00 0.00 C ATOM 323 O3' DC B 5 -3.290 -5.668 6.084 1.00 0.00 O ATOM 324 C2' DC B 5 -3.095 -6.372 3.742 1.00 0.00 C ATOM 325 C1' DC B 5 -2.725 -5.012 3.148 1.00 0.00 C ATOM 326 N1 DC B 5 -2.379 -5.057 1.710 1.00 0.00 N ATOM 327 C2 DC B 5 -2.606 -3.906 0.972 1.00 0.00 C ATOM 328 O2 DC B 5 -3.105 -2.912 1.492 1.00 0.00 O ATOM 329 N3 DC B 5 -2.355 -3.919 -0.370 1.00 0.00 N ATOM 330 C4 DC B 5 -1.829 -5.001 -0.947 1.00 0.00 C ATOM 331 N4 DC B 5 -1.606 -4.952 -2.256 1.00 0.00 N ATOM 332 C5 DC B 5 -1.484 -6.162 -0.189 1.00 0.00 C ATOM 333 C6 DC B 5 -1.791 -6.148 1.131 1.00 0.00 C ATOM 0 H5' DC B 5 0.799 -5.643 4.290 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.241 -6.922 5.350 1.00 0.00 H new ATOM 0 H4' DC B 5 -0.978 -4.913 5.796 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.299 -7.319 5.534 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.690 -7.194 3.151 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.175 -6.513 3.785 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.598 -4.365 3.236 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.205 -5.758 -2.736 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.836 -4.108 -2.781 1.00 0.00 H new ATOM 0 H5 DC B 5 -1.001 -7.012 -0.647 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.567 -7.014 1.737 1.00 0.00 H new ATOM 345 P DG B 6 -4.415 -6.475 6.898 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.822 -5.661 8.065 1.00 0.00 O ATOM 347 OP2 DG B 6 -3.944 -7.864 7.090 1.00 0.00 O ATOM 348 O5' DG B 6 -5.615 -6.481 5.844 1.00 0.00 O ATOM 349 C5' DG B 6 -6.299 -5.280 5.562 1.00 0.00 C ATOM 350 C4' DG B 6 -7.193 -5.475 4.345 1.00 0.00 C ATOM 351 O4' DG B 6 -6.419 -5.780 3.208 1.00 0.00 O ATOM 352 C3' DG B 6 -8.158 -6.627 4.533 1.00 0.00 C ATOM 353 O3' DG B 6 -9.482 -6.152 4.627 1.00 0.00 O ATOM 354 C2' DG B 6 -8.002 -7.468 3.281 1.00 0.00 C ATOM 355 C1' DG B 6 -7.273 -6.514 2.361 1.00 0.00 C ATOM 356 N9 DG B 6 -6.467 -7.241 1.376 1.00 0.00 N ATOM 357 C8 DG B 6 -5.159 -7.591 1.509 1.00 0.00 C ATOM 358 N7 DG B 6 -4.568 -7.907 0.391 1.00 0.00 N ATOM 359 C5 DG B 6 -5.590 -7.797 -0.552 1.00 0.00 C ATOM 360 C6 DG B 6 -5.554 -7.877 -1.976 1.00 0.00 C ATOM 361 O6 DG B 6 -4.580 -8.037 -2.710 1.00 0.00 O ATOM 362 N1 DG B 6 -6.798 -7.680 -2.551 1.00 0.00 N ATOM 363 C2 DG B 6 -7.957 -7.467 -1.847 1.00 0.00 C ATOM 364 N2 DG B 6 -9.097 -7.425 -2.527 1.00 0.00 N ATOM 365 N3 DG B 6 -7.992 -7.302 -0.521 1.00 0.00 N ATOM 366 C4 DG B 6 -6.775 -7.461 0.059 1.00 0.00 C ATOM 0 H5' DG B 6 -5.585 -4.478 5.376 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.898 -4.980 6.422 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.742 -4.542 4.217 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.952 -7.188 5.445 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.429 -8.376 3.467 1.00 0.00 H new ATOM 0 H2'' DG B 6 -8.964 -7.776 2.872 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.093 -6.909 4.746 1.00 0.00 H new ATOM 0 H1' DG B 6 -7.970 -5.887 1.805 1.00 0.00 H new ATOM 0 H8 DG B 6 -4.652 -7.606 2.463 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.857 -7.694 -3.569 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.978 -7.269 -2.037 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.092 -7.549 -3.539 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.237 2.291 3.266 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.339 2.727 2.521 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.893 3.513 1.459 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.539 3.715 1.648 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.608 4.544 1.005 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.336 4.702 1.565 1.00 0.00 C HETATM 385 C11 PPZ A 7 4.997 3.993 2.726 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.912 3.106 3.316 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.175 3.008 2.773 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.597 2.337 3.005 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.735 2.991 2.569 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.659 1.474 4.031 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.524 1.077 4.604 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.275 1.446 4.328 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.766 4.151 1.691 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.804 5.235 2.192 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.408 6.081 3.148 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.826 6.156 3.933 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.459 5.831 1.347 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.924 4.764 2.630 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.779 4.550 1.643 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.492 3.854 0.678 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.632 2.628 2.891 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.633 0.350 5.409 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.872 5.058 0.081 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.612 5.373 1.101 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.014 4.132 3.175 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.630 2.509 4.183 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.399 -3.522 1.073 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.506 -3.500 0.218 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.065 -3.533 -1.104 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.709 -3.792 -1.068 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.787 -4.131 -2.070 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.525 -4.607 -1.699 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.180 -4.665 -0.341 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.082 -4.240 0.648 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.340 -3.839 0.259 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.760 -3.510 0.843 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.877 -3.895 0.125 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.824 -3.373 2.177 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.687 -3.318 2.870 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.435 -3.421 2.427 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.879 -4.393 -1.242 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.839 -5.508 -1.421 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.325 -6.754 -0.968 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.696 -7.134 -0.320 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.566 -5.585 -2.473 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.932 -5.251 -0.874 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.870 -4.771 -1.494 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.664 -3.576 -1.931 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.779 -3.824 0.595 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.796 -3.169 3.944 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -7.050 -4.025 -3.122 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.815 -4.931 -2.460 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.201 -5.044 -0.050 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.793 -4.228 1.699 1.00 0.00 H new