USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 hydrogens (0 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 8 C O2' : rot 180:sc= -1.08 USER MOD Single : A 8 C O5' : rot 180:sc= -0.65 USER MOD Single : A 9 C O2' : rot -22:sc= 0.096 USER MOD Single : A 10 G O2' : rot -133:sc= 1.06 USER MOD Single : A 11 U O2' : rot 146:sc= -4.26! USER MOD Single : A 12 U O2' : rot 145:sc= 0.782 USER MOD Single : A 13 G O2' : rot -19:sc= 0.18 USER MOD Single : A 14 A O2' : rot -19:sc= 0.134 USER MOD Single : A 15 A O2' : rot -119:sc= -1.6! USER MOD Single : A 16 U O2' : rot 144:sc= 0.89 USER MOD Single : A 17 C O2' : rot 77:sc= 1.21 USER MOD Single : A 18 U O2' : rot 144:sc= 0.673 USER MOD Single : A 19 C O2' : rot -18:sc= 0.112 USER MOD Single : A 20 A O2' : rot -172:sc= 0.796 USER MOD Single : A 21 C O2' : rot -130:sc= 0.0695 USER MOD Single : A 22 G O2' : rot 180:sc= -0.952 USER MOD Single : A 23 G O2' : rot -23:sc= 0.125 USER MOD Single : A 23 G O3' : rot 180:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 3.193 -5.882 -13.325 1.00 0.00 O ATOM 2 C5' C A 8 3.336 -7.126 -14.008 1.00 0.00 C ATOM 3 C4' C A 8 3.968 -8.156 -13.095 1.00 0.00 C ATOM 4 O4' C A 8 5.358 -7.795 -12.876 1.00 0.00 O ATOM 5 C3' C A 8 3.372 -8.259 -11.696 1.00 0.00 C ATOM 6 O3' C A 8 2.254 -9.141 -11.669 1.00 0.00 O ATOM 7 C2' C A 8 4.540 -8.783 -10.871 1.00 0.00 C ATOM 8 O2' C A 8 4.696 -10.182 -11.025 1.00 0.00 O ATOM 9 C1' C A 8 5.723 -8.084 -11.537 1.00 0.00 C ATOM 10 N1 C A 8 6.123 -6.826 -10.876 1.00 0.00 N ATOM 11 C2 C A 8 7.060 -6.874 -9.829 1.00 0.00 C ATOM 12 O2 C A 8 7.532 -7.971 -9.488 1.00 0.00 O ATOM 13 N3 C A 8 7.425 -5.725 -9.218 1.00 0.00 N ATOM 14 C4 C A 8 6.899 -4.562 -9.610 1.00 0.00 C ATOM 15 N4 C A 8 7.290 -3.455 -8.975 1.00 0.00 N ATOM 16 C5 C A 8 5.950 -4.482 -10.672 1.00 0.00 C ATOM 17 C6 C A 8 5.595 -5.627 -11.272 1.00 0.00 C ATOM 0 H5' C A 8 3.951 -6.992 -14.898 1.00 0.00 H new ATOM 0 H5'' C A 8 2.361 -7.478 -14.345 1.00 0.00 H new ATOM 0 H4' C A 8 3.805 -9.104 -13.608 1.00 0.00 H new ATOM 0 H3' C A 8 2.979 -7.315 -11.319 1.00 0.00 H new ATOM 0 H2' C A 8 4.424 -8.600 -9.803 1.00 0.00 H new ATOM 0 HO2' C A 8 5.454 -10.488 -10.484 1.00 0.00 H new ATOM 0 HO5' C A 8 2.785 -5.224 -13.926 1.00 0.00 H new ATOM 0 H1' C A 8 6.578 -8.756 -11.469 1.00 0.00 H new ATOM 0 H41 C A 8 6.909 -2.549 -9.248 1.00 0.00 H new ATOM 0 H42 C A 8 7.970 -3.515 -8.217 1.00 0.00 H new ATOM 0 H5 C A 8 5.533 -3.535 -10.981 1.00 0.00 H new ATOM 0 H6 C A 8 4.880 -5.603 -12.081 1.00 0.00 H new ATOM 29 P C A 9 1.212 -9.069 -10.447 1.00 0.00 P ATOM 30 OP1 C A 9 0.098 -10.001 -10.764 1.00 0.00 O ATOM 31 OP2 C A 9 0.914 -7.643 -10.159 1.00 0.00 O ATOM 32 O5' C A 9 2.025 -9.666 -9.213 1.00 0.00 O ATOM 33 C5' C A 9 2.396 -11.042 -9.175 1.00 0.00 C ATOM 34 C4' C A 9 3.103 -11.360 -7.877 1.00 0.00 C ATOM 35 O4' C A 9 4.356 -10.627 -7.832 1.00 0.00 O ATOM 36 C3' C A 9 2.370 -10.947 -6.608 1.00 0.00 C ATOM 37 O3' C A 9 1.446 -11.952 -6.197 1.00 0.00 O ATOM 38 C2' C A 9 3.507 -10.754 -5.610 1.00 0.00 C ATOM 39 O2' C A 9 3.950 -11.991 -5.084 1.00 0.00 O ATOM 40 C1' C A 9 4.608 -10.185 -6.509 1.00 0.00 C ATOM 41 N1 C A 9 4.680 -8.710 -6.513 1.00 0.00 N ATOM 42 C2 C A 9 5.421 -8.057 -5.513 1.00 0.00 C ATOM 43 O2 C A 9 6.002 -8.735 -4.647 1.00 0.00 O ATOM 44 N3 C A 9 5.484 -6.706 -5.515 1.00 0.00 N ATOM 45 C4 C A 9 4.849 -6.009 -6.459 1.00 0.00 C ATOM 46 N4 C A 9 4.938 -4.678 -6.419 1.00 0.00 N ATOM 47 C5 C A 9 4.093 -6.644 -7.487 1.00 0.00 C ATOM 48 C6 C A 9 4.035 -7.982 -7.476 1.00 0.00 C ATOM 0 H5' C A 9 3.047 -11.273 -10.018 1.00 0.00 H new ATOM 0 H5'' C A 9 1.509 -11.668 -9.277 1.00 0.00 H new ATOM 0 H4' C A 9 3.198 -12.446 -7.884 1.00 0.00 H new ATOM 0 H3' C A 9 1.760 -10.051 -6.723 1.00 0.00 H new ATOM 0 H2' C A 9 3.226 -10.137 -4.757 1.00 0.00 H new ATOM 0 HO2' C A 9 3.240 -12.660 -5.180 1.00 0.00 H new ATOM 0 H1' C A 9 5.561 -10.539 -6.117 1.00 0.00 H new ATOM 0 H41 C A 9 4.465 -4.114 -7.125 1.00 0.00 H new ATOM 0 H42 C A 9 5.479 -4.225 -5.682 1.00 0.00 H new ATOM 0 H5 C A 9 3.586 -6.068 -8.247 1.00 0.00 H new ATOM 0 H6 C A 9 3.470 -8.495 -8.240 1.00 0.00 H new ATOM 60 P G A 10 0.392 -11.639 -5.021 1.00 0.00 P ATOM 61 OP1 G A 10 -0.528 -12.799 -4.907 1.00 0.00 O ATOM 62 OP2 G A 10 -0.167 -10.282 -5.258 1.00 0.00 O ATOM 63 O5' G A 10 1.292 -11.591 -3.707 1.00 0.00 O ATOM 64 C5' G A 10 0.835 -10.942 -2.524 1.00 0.00 C ATOM 65 C4' G A 10 2.013 -10.496 -1.692 1.00 0.00 C ATOM 66 O4' G A 10 2.734 -9.477 -2.438 1.00 0.00 O ATOM 67 C3' G A 10 1.657 -9.870 -0.342 1.00 0.00 C ATOM 68 O3' G A 10 2.492 -10.372 0.698 1.00 0.00 O ATOM 69 C2' G A 10 1.855 -8.373 -0.565 1.00 0.00 C ATOM 70 O2' G A 10 2.348 -7.731 0.595 1.00 0.00 O ATOM 71 C1' G A 10 2.964 -8.363 -1.609 1.00 0.00 C ATOM 72 N9 G A 10 2.977 -7.155 -2.430 1.00 0.00 N ATOM 73 C8 G A 10 2.447 -6.995 -3.687 1.00 0.00 C ATOM 74 N7 G A 10 2.598 -5.789 -4.161 1.00 0.00 N ATOM 75 C5 G A 10 3.273 -5.108 -3.156 1.00 0.00 C ATOM 76 C6 G A 10 3.713 -3.759 -3.094 1.00 0.00 C ATOM 77 O6 G A 10 3.586 -2.865 -3.940 1.00 0.00 O ATOM 78 N1 G A 10 4.358 -3.487 -1.891 1.00 0.00 N ATOM 79 C2 G A 10 4.554 -4.393 -0.877 1.00 0.00 C ATOM 80 N2 G A 10 5.202 -3.939 0.205 1.00 0.00 N ATOM 81 N3 G A 10 4.146 -5.649 -0.921 1.00 0.00 N ATOM 82 C4 G A 10 3.518 -5.938 -2.082 1.00 0.00 C ATOM 0 H5' G A 10 0.207 -11.621 -1.946 1.00 0.00 H new ATOM 0 H5'' G A 10 0.218 -10.082 -2.786 1.00 0.00 H new ATOM 0 H4' G A 10 2.587 -11.400 -1.490 1.00 0.00 H new ATOM 0 H3' G A 10 0.642 -10.105 -0.022 1.00 0.00 H new ATOM 0 H2' G A 10 0.930 -7.865 -0.839 1.00 0.00 H new ATOM 0 HO2' G A 10 1.829 -6.917 0.764 1.00 0.00 H new ATOM 0 H1' G A 10 3.928 -8.395 -1.101 1.00 0.00 H new ATOM 0 H8 G A 10 1.954 -7.789 -4.229 1.00 0.00 H new ATOM 0 H1 G A 10 4.713 -2.541 -1.751 1.00 0.00 H new ATOM 0 H21 G A 10 5.379 -4.563 0.993 1.00 0.00 H new ATOM 0 H22 G A 10 5.518 -2.970 0.241 1.00 0.00 H new ATOM 94 P U A 11 1.886 -10.594 2.173 1.00 0.00 P ATOM 95 OP1 U A 11 2.843 -11.438 2.936 1.00 0.00 O ATOM 96 OP2 U A 11 0.475 -11.039 2.029 1.00 0.00 O ATOM 97 O5' U A 11 1.873 -9.133 2.812 1.00 0.00 O ATOM 98 C5' U A 11 3.039 -8.586 3.429 1.00 0.00 C ATOM 99 C4' U A 11 2.684 -7.360 4.245 1.00 0.00 C ATOM 100 O4' U A 11 2.429 -6.250 3.335 1.00 0.00 O ATOM 101 C3' U A 11 1.435 -7.474 5.120 1.00 0.00 C ATOM 102 O3' U A 11 1.621 -6.823 6.373 1.00 0.00 O ATOM 103 C2' U A 11 0.354 -6.801 4.282 1.00 0.00 C ATOM 104 O2' U A 11 -0.637 -6.204 5.096 1.00 0.00 O ATOM 105 C1' U A 11 1.159 -5.695 3.606 1.00 0.00 C ATOM 106 N1 U A 11 0.595 -5.180 2.346 1.00 0.00 N ATOM 107 C2 U A 11 0.494 -3.802 2.200 1.00 0.00 C ATOM 108 O2 U A 11 0.847 -3.011 3.062 1.00 0.00 O ATOM 109 N3 U A 11 -0.037 -3.384 1.006 1.00 0.00 N ATOM 110 C4 U A 11 -0.470 -4.177 -0.035 1.00 0.00 C ATOM 111 O4 U A 11 -0.926 -3.649 -1.050 1.00 0.00 O ATOM 112 C5 U A 11 -0.335 -5.582 0.192 1.00 0.00 C ATOM 113 C6 U A 11 0.179 -6.029 1.342 1.00 0.00 C ATOM 0 H5' U A 11 3.771 -8.322 2.666 1.00 0.00 H new ATOM 0 H5'' U A 11 3.503 -9.335 4.071 1.00 0.00 H new ATOM 0 H4' U A 11 3.537 -7.222 4.910 1.00 0.00 H new ATOM 0 H3' U A 11 1.183 -8.503 5.376 1.00 0.00 H new ATOM 0 H2' U A 11 -0.169 -7.489 3.617 1.00 0.00 H new ATOM 0 HO2' U A 11 -0.968 -5.389 4.664 1.00 0.00 H new ATOM 0 H1' U A 11 1.171 -4.838 4.280 1.00 0.00 H new ATOM 0 H3 U A 11 -0.121 -2.376 0.874 1.00 0.00 H new ATOM 0 H5 U A 11 -0.649 -6.283 -0.567 1.00 0.00 H new ATOM 0 H6 U A 11 0.272 -7.095 1.490 1.00 0.00 H new ATOM 124 P U A 12 0.861 -7.368 7.683 1.00 0.00 P ATOM 125 OP1 U A 12 1.862 -8.060 8.534 1.00 0.00 O ATOM 126 OP2 U A 12 -0.361 -8.096 7.252 1.00 0.00 O ATOM 127 O5' U A 12 0.408 -6.040 8.440 1.00 0.00 O ATOM 128 C5' U A 12 -0.704 -5.273 7.980 1.00 0.00 C ATOM 129 C4' U A 12 -0.309 -3.822 7.828 1.00 0.00 C ATOM 130 O4' U A 12 -0.412 -3.456 6.421 1.00 0.00 O ATOM 131 C3' U A 12 -1.192 -2.827 8.578 1.00 0.00 C ATOM 132 O3' U A 12 -0.419 -1.741 9.083 1.00 0.00 O ATOM 133 C2' U A 12 -2.197 -2.387 7.518 1.00 0.00 C ATOM 134 O2' U A 12 -2.659 -1.070 7.751 1.00 0.00 O ATOM 135 C1' U A 12 -1.318 -2.379 6.271 1.00 0.00 C ATOM 136 N1 U A 12 -2.049 -2.550 5.001 1.00 0.00 N ATOM 137 C2 U A 12 -2.810 -1.483 4.531 1.00 0.00 C ATOM 138 O2 U A 12 -2.901 -0.415 5.117 1.00 0.00 O ATOM 139 N3 U A 12 -3.462 -1.715 3.345 1.00 0.00 N ATOM 140 C4 U A 12 -3.437 -2.872 2.595 1.00 0.00 C ATOM 141 O4 U A 12 -4.080 -2.928 1.546 1.00 0.00 O ATOM 142 C5 U A 12 -2.635 -3.919 3.144 1.00 0.00 C ATOM 143 C6 U A 12 -1.983 -3.732 4.296 1.00 0.00 C ATOM 0 H5' U A 12 -1.532 -5.360 8.684 1.00 0.00 H new ATOM 0 H5'' U A 12 -1.055 -5.664 7.025 1.00 0.00 H new ATOM 0 H4' U A 12 0.698 -3.759 8.241 1.00 0.00 H new ATOM 0 H3' U A 12 -1.680 -3.248 9.457 1.00 0.00 H new ATOM 0 H2' U A 12 -3.084 -3.019 7.477 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.800 -0.616 6.894 1.00 0.00 H new ATOM 0 H1' U A 12 -0.840 -1.402 6.202 1.00 0.00 H new ATOM 0 H3 U A 12 -4.026 -0.948 2.979 1.00 0.00 H new ATOM 0 H5 U A 12 -2.555 -4.864 2.627 1.00 0.00 H new ATOM 0 H6 U A 12 -1.382 -4.538 4.689 1.00 0.00 H new ATOM 154 P G A 13 -0.993 -0.833 10.282 1.00 0.00 P ATOM 155 OP1 G A 13 0.147 -0.506 11.177 1.00 0.00 O ATOM 156 OP2 G A 13 -2.201 -1.492 10.846 1.00 0.00 O ATOM 157 O5' G A 13 -1.465 0.503 9.551 1.00 0.00 O ATOM 158 C5' G A 13 -1.399 1.767 10.208 1.00 0.00 C ATOM 159 C4' G A 13 -0.492 2.707 9.445 1.00 0.00 C ATOM 160 O4' G A 13 -0.279 2.196 8.109 1.00 0.00 O ATOM 161 C3' G A 13 -1.052 4.099 9.201 1.00 0.00 C ATOM 162 O3' G A 13 -0.849 4.946 10.328 1.00 0.00 O ATOM 163 C2' G A 13 -0.277 4.582 7.974 1.00 0.00 C ATOM 164 O2' G A 13 0.945 5.188 8.349 1.00 0.00 O ATOM 165 C1' G A 13 0.046 3.269 7.248 1.00 0.00 C ATOM 166 N9 G A 13 -0.684 3.092 5.994 1.00 0.00 N ATOM 167 C8 G A 13 -1.450 2.011 5.627 1.00 0.00 C ATOM 168 N7 G A 13 -1.985 2.134 4.444 1.00 0.00 N ATOM 169 C5 G A 13 -1.548 3.373 3.997 1.00 0.00 C ATOM 170 C6 G A 13 -1.805 4.053 2.776 1.00 0.00 C ATOM 171 O6 G A 13 -2.494 3.684 1.816 1.00 0.00 O ATOM 172 N1 G A 13 -1.162 5.286 2.733 1.00 0.00 N ATOM 173 C2 G A 13 -0.375 5.801 3.734 1.00 0.00 C ATOM 174 N2 G A 13 0.156 7.010 3.501 1.00 0.00 N ATOM 175 N3 G A 13 -0.129 5.181 4.875 1.00 0.00 N ATOM 176 C4 G A 13 -0.743 3.979 4.938 1.00 0.00 C ATOM 0 H5' G A 13 -1.028 1.637 11.225 1.00 0.00 H new ATOM 0 H5'' G A 13 -2.398 2.197 10.286 1.00 0.00 H new ATOM 0 H4' G A 13 0.397 2.771 10.073 1.00 0.00 H new ATOM 0 H3' G A 13 -2.130 4.105 9.043 1.00 0.00 H new ATOM 0 H2' G A 13 -0.835 5.313 7.389 1.00 0.00 H new ATOM 0 HO2' G A 13 0.904 5.450 9.292 1.00 0.00 H new ATOM 0 H1' G A 13 1.106 3.297 6.995 1.00 0.00 H new ATOM 0 H8 G A 13 -1.594 1.145 6.256 1.00 0.00 H new ATOM 0 H1 G A 13 -1.285 5.851 1.893 1.00 0.00 H new ATOM 0 H21 G A 13 0.750 7.450 4.203 1.00 0.00 H new ATOM 0 H22 G A 13 -0.035 7.490 2.621 1.00 0.00 H new ATOM 188 P A A 14 -2.111 5.640 11.041 1.00 0.00 P ATOM 189 OP1 A A 14 -1.593 6.574 12.073 1.00 0.00 O ATOM 190 OP2 A A 14 -3.046 4.555 11.438 1.00 0.00 O ATOM 191 O5' A A 14 -2.782 6.508 9.884 1.00 0.00 O ATOM 192 C5' A A 14 -3.856 5.993 9.099 1.00 0.00 C ATOM 193 C4' A A 14 -3.723 6.455 7.668 1.00 0.00 C ATOM 194 O4' A A 14 -3.059 5.414 6.903 1.00 0.00 O ATOM 195 C3' A A 14 -5.039 6.698 6.942 1.00 0.00 C ATOM 196 O3' A A 14 -5.502 8.030 7.139 1.00 0.00 O ATOM 197 C2' A A 14 -4.684 6.427 5.484 1.00 0.00 C ATOM 198 O2' A A 14 -4.057 7.548 4.890 1.00 0.00 O ATOM 199 C1' A A 14 -3.650 5.308 5.619 1.00 0.00 C ATOM 200 N9 A A 14 -4.207 3.961 5.478 1.00 0.00 N ATOM 201 C8 A A 14 -4.279 2.979 6.436 1.00 0.00 C ATOM 202 N7 A A 14 -4.832 1.868 6.014 1.00 0.00 N ATOM 203 C5 A A 14 -5.143 2.132 4.688 1.00 0.00 C ATOM 204 C6 A A 14 -5.748 1.354 3.685 1.00 0.00 C ATOM 205 N6 A A 14 -6.166 0.099 3.873 1.00 0.00 N ATOM 206 N1 A A 14 -5.913 1.914 2.468 1.00 0.00 N ATOM 207 C2 A A 14 -5.496 3.172 2.280 1.00 0.00 C ATOM 208 N3 A A 14 -4.915 4.005 3.142 1.00 0.00 N ATOM 209 C4 A A 14 -4.765 3.417 4.343 1.00 0.00 C ATOM 0 H5' A A 14 -4.809 6.327 9.510 1.00 0.00 H new ATOM 0 H5'' A A 14 -3.856 4.904 9.139 1.00 0.00 H new ATOM 0 H4' A A 14 -3.181 7.399 7.729 1.00 0.00 H new ATOM 0 H3' A A 14 -5.852 6.068 7.301 1.00 0.00 H new ATOM 0 H2' A A 14 -5.554 6.193 4.871 1.00 0.00 H new ATOM 0 HO2' A A 14 -4.246 8.349 5.422 1.00 0.00 H new ATOM 0 H1' A A 14 -2.932 5.435 4.809 1.00 0.00 H new ATOM 0 H8 A A 14 -3.914 3.110 7.444 1.00 0.00 H new ATOM 0 H61 A A 14 -6.598 -0.415 3.105 1.00 0.00 H new ATOM 0 H62 A A 14 -6.053 -0.345 4.784 1.00 0.00 H new ATOM 0 H2 A A 14 -5.653 3.568 1.288 1.00 0.00 H new ATOM 221 P A A 15 -6.857 8.298 7.966 1.00 0.00 P ATOM 222 OP1 A A 15 -6.688 9.581 8.695 1.00 0.00 O ATOM 223 OP2 A A 15 -7.206 7.067 8.725 1.00 0.00 O ATOM 224 O5' A A 15 -7.959 8.526 6.836 1.00 0.00 O ATOM 225 C5' A A 15 -8.567 7.424 6.166 1.00 0.00 C ATOM 226 C4' A A 15 -7.927 7.222 4.810 1.00 0.00 C ATOM 227 O4' A A 15 -7.496 5.837 4.710 1.00 0.00 O ATOM 228 C3' A A 15 -8.844 7.466 3.614 1.00 0.00 C ATOM 229 O3' A A 15 -8.143 8.096 2.546 1.00 0.00 O ATOM 230 C2' A A 15 -9.326 6.067 3.241 1.00 0.00 C ATOM 231 O2' A A 15 -9.529 5.941 1.852 1.00 0.00 O ATOM 232 C1' A A 15 -8.112 5.219 3.598 1.00 0.00 C ATOM 233 N9 A A 15 -8.437 3.837 3.955 1.00 0.00 N ATOM 234 C8 A A 15 -8.059 3.173 5.092 1.00 0.00 C ATOM 235 N7 A A 15 -8.491 1.938 5.154 1.00 0.00 N ATOM 236 C5 A A 15 -9.205 1.774 3.976 1.00 0.00 C ATOM 237 C6 A A 15 -9.914 0.684 3.442 1.00 0.00 C ATOM 238 N6 A A 15 -10.022 -0.498 4.053 1.00 0.00 N ATOM 239 N1 A A 15 -10.514 0.851 2.244 1.00 0.00 N ATOM 240 C2 A A 15 -10.404 2.037 1.632 1.00 0.00 C ATOM 241 N3 A A 15 -9.766 3.135 2.032 1.00 0.00 N ATOM 242 C4 A A 15 -9.180 2.936 3.225 1.00 0.00 C ATOM 0 H5' A A 15 -9.636 7.604 6.049 1.00 0.00 H new ATOM 0 H5'' A A 15 -8.460 6.520 6.766 1.00 0.00 H new ATOM 0 H4' A A 15 -7.120 7.953 4.761 1.00 0.00 H new ATOM 0 H3' A A 15 -9.670 8.141 3.838 1.00 0.00 H new ATOM 0 H2' A A 15 -10.264 5.805 3.731 1.00 0.00 H new ATOM 0 HO2' A A 15 -10.469 5.726 1.677 1.00 0.00 H new ATOM 0 H1' A A 15 -7.469 5.164 2.720 1.00 0.00 H new ATOM 0 H8 A A 15 -7.459 3.627 5.867 1.00 0.00 H new ATOM 0 H61 A A 15 -10.551 -1.252 3.615 1.00 0.00 H new ATOM 0 H62 A A 15 -9.576 -0.647 4.958 1.00 0.00 H new ATOM 0 H2 A A 15 -10.904 2.114 0.678 1.00 0.00 H new ATOM 254 P U A 16 -8.933 9.059 1.524 1.00 0.00 P ATOM 255 OP1 U A 16 -7.943 10.030 0.991 1.00 0.00 O ATOM 256 OP2 U A 16 -10.170 9.560 2.177 1.00 0.00 O ATOM 257 O5' U A 16 -9.358 8.093 0.330 1.00 0.00 O ATOM 258 C5' U A 16 -8.376 7.413 -0.449 1.00 0.00 C ATOM 259 C4' U A 16 -9.045 6.548 -1.493 1.00 0.00 C ATOM 260 O4' U A 16 -9.960 5.628 -0.831 1.00 0.00 O ATOM 261 C3' U A 16 -9.882 7.303 -2.523 1.00 0.00 C ATOM 262 O3' U A 16 -9.708 6.749 -3.825 1.00 0.00 O ATOM 263 C2' U A 16 -11.310 7.147 -2.008 1.00 0.00 C ATOM 264 O2' U A 16 -12.244 7.128 -3.070 1.00 0.00 O ATOM 265 C1' U A 16 -11.252 5.754 -1.388 1.00 0.00 C ATOM 266 N1 U A 16 -12.248 5.505 -0.329 1.00 0.00 N ATOM 267 C2 U A 16 -13.564 5.252 -0.706 1.00 0.00 C ATOM 268 O2 U A 16 -13.933 5.223 -1.870 1.00 0.00 O ATOM 269 N3 U A 16 -14.432 5.034 0.336 1.00 0.00 N ATOM 270 C4 U A 16 -14.133 5.042 1.683 1.00 0.00 C ATOM 271 O4 U A 16 -15.028 4.831 2.504 1.00 0.00 O ATOM 272 C5 U A 16 -12.762 5.306 1.986 1.00 0.00 C ATOM 273 C6 U A 16 -11.887 5.522 1.001 1.00 0.00 C ATOM 0 H5' U A 16 -7.751 6.797 0.198 1.00 0.00 H new ATOM 0 H5'' U A 16 -7.719 8.137 -0.932 1.00 0.00 H new ATOM 0 H4' U A 16 -8.224 6.061 -2.019 1.00 0.00 H new ATOM 0 H3' U A 16 -9.600 8.351 -2.628 1.00 0.00 H new ATOM 0 H2' U A 16 -11.616 7.953 -1.341 1.00 0.00 H new ATOM 0 HO2' U A 16 -12.967 6.501 -2.859 1.00 0.00 H new ATOM 0 H1' U A 16 -11.475 5.028 -2.170 1.00 0.00 H new ATOM 0 H3 U A 16 -15.403 4.846 0.087 1.00 0.00 H new ATOM 0 H5 U A 16 -12.433 5.331 3.014 1.00 0.00 H new ATOM 0 H6 U A 16 -10.856 5.718 1.256 1.00 0.00 H new ATOM 284 P C A 17 -9.276 7.702 -5.051 1.00 0.00 P ATOM 285 OP1 C A 17 -9.940 9.022 -4.887 1.00 0.00 O ATOM 286 OP2 C A 17 -9.496 6.925 -6.298 1.00 0.00 O ATOM 287 O5' C A 17 -7.703 7.916 -4.882 1.00 0.00 O ATOM 288 C5' C A 17 -6.921 7.082 -4.026 1.00 0.00 C ATOM 289 C4' C A 17 -6.164 6.050 -4.837 1.00 0.00 C ATOM 290 O4' C A 17 -5.714 5.006 -3.930 1.00 0.00 O ATOM 291 C3' C A 17 -6.963 5.341 -5.929 1.00 0.00 C ATOM 292 O3' C A 17 -6.199 5.119 -7.132 1.00 0.00 O ATOM 293 C2' C A 17 -7.456 4.067 -5.242 1.00 0.00 C ATOM 294 O2' C A 17 -7.561 2.996 -6.159 1.00 0.00 O ATOM 295 C1' C A 17 -6.315 3.773 -4.270 1.00 0.00 C ATOM 296 N1 C A 17 -6.744 3.105 -3.028 1.00 0.00 N ATOM 297 C2 C A 17 -6.498 1.731 -2.872 1.00 0.00 C ATOM 298 O2 C A 17 -5.936 1.107 -3.789 1.00 0.00 O ATOM 299 N3 C A 17 -6.880 1.118 -1.729 1.00 0.00 N ATOM 300 C4 C A 17 -7.484 1.818 -0.765 1.00 0.00 C ATOM 301 N4 C A 17 -7.838 1.170 0.347 1.00 0.00 N ATOM 302 C5 C A 17 -7.750 3.212 -0.897 1.00 0.00 C ATOM 303 C6 C A 17 -7.368 3.809 -2.034 1.00 0.00 C ATOM 0 H5' C A 17 -7.568 6.583 -3.305 1.00 0.00 H new ATOM 0 H5'' C A 17 -6.219 7.692 -3.457 1.00 0.00 H new ATOM 0 H4' C A 17 -5.369 6.608 -5.332 1.00 0.00 H new ATOM 0 H3' C A 17 -7.795 5.937 -6.305 1.00 0.00 H new ATOM 0 H2' C A 17 -8.439 4.182 -4.786 1.00 0.00 H new ATOM 0 HO2' C A 17 -6.668 2.644 -6.354 1.00 0.00 H new ATOM 0 H1' C A 17 -5.630 3.089 -4.770 1.00 0.00 H new ATOM 0 H41 C A 17 -8.301 1.672 1.104 1.00 0.00 H new ATOM 0 H42 C A 17 -7.645 0.173 0.439 1.00 0.00 H new ATOM 0 H5 C A 17 -8.241 3.766 -0.110 1.00 0.00 H new ATOM 0 H6 C A 17 -7.556 4.864 -2.168 1.00 0.00 H new ATOM 315 P U A 18 -4.802 4.299 -7.108 1.00 0.00 P ATOM 316 OP1 U A 18 -4.185 4.508 -8.445 1.00 0.00 O ATOM 317 OP2 U A 18 -5.043 2.914 -6.632 1.00 0.00 O ATOM 318 O5' U A 18 -3.894 5.050 -6.032 1.00 0.00 O ATOM 319 C5' U A 18 -3.188 6.246 -6.363 1.00 0.00 C ATOM 320 C4' U A 18 -1.738 6.136 -5.941 1.00 0.00 C ATOM 321 O4' U A 18 -1.653 5.292 -4.758 1.00 0.00 O ATOM 322 C3' U A 18 -0.804 5.500 -6.970 1.00 0.00 C ATOM 323 O3' U A 18 0.484 6.111 -6.949 1.00 0.00 O ATOM 324 C2' U A 18 -0.748 4.038 -6.537 1.00 0.00 C ATOM 325 O2' U A 18 0.490 3.445 -6.876 1.00 0.00 O ATOM 326 C1' U A 18 -0.819 4.178 -5.018 1.00 0.00 C ATOM 327 N1 U A 18 -1.377 3.004 -4.324 1.00 0.00 N ATOM 328 C2 U A 18 -0.549 1.905 -4.114 1.00 0.00 C ATOM 329 O2 U A 18 0.618 1.870 -4.471 1.00 0.00 O ATOM 330 N3 U A 18 -1.144 0.849 -3.469 1.00 0.00 N ATOM 331 C4 U A 18 -2.447 0.775 -3.022 1.00 0.00 C ATOM 332 O4 U A 18 -2.842 -0.253 -2.471 1.00 0.00 O ATOM 333 C5 U A 18 -3.229 1.945 -3.271 1.00 0.00 C ATOM 334 C6 U A 18 -2.686 2.995 -3.895 1.00 0.00 C ATOM 0 H5' U A 18 -3.653 7.099 -5.869 1.00 0.00 H new ATOM 0 H5'' U A 18 -3.248 6.427 -7.436 1.00 0.00 H new ATOM 0 H4' U A 18 -1.417 7.166 -5.786 1.00 0.00 H new ATOM 0 H3' U A 18 -1.151 5.620 -7.996 1.00 0.00 H new ATOM 0 H2' U A 18 -1.521 3.423 -6.997 1.00 0.00 H new ATOM 0 HO2' U A 18 0.754 2.814 -6.174 1.00 0.00 H new ATOM 0 H1' U A 18 0.198 4.290 -4.643 1.00 0.00 H new ATOM 0 H3 U A 18 -0.559 0.030 -3.302 1.00 0.00 H new ATOM 0 H5 U A 18 -4.261 1.981 -2.954 1.00 0.00 H new ATOM 0 H6 U A 18 -3.296 3.869 -4.069 1.00 0.00 H new ATOM 345 P C A 19 0.727 7.509 -7.713 1.00 0.00 P ATOM 346 OP1 C A 19 -0.571 7.994 -8.254 1.00 0.00 O ATOM 347 OP2 C A 19 1.881 7.332 -8.630 1.00 0.00 O ATOM 348 O5' C A 19 1.169 8.504 -6.551 1.00 0.00 O ATOM 349 C5' C A 19 0.297 8.791 -5.462 1.00 0.00 C ATOM 350 C4' C A 19 1.083 8.898 -4.176 1.00 0.00 C ATOM 351 O4' C A 19 0.170 9.235 -3.097 1.00 0.00 O ATOM 352 C3' C A 19 1.764 7.617 -3.713 1.00 0.00 C ATOM 353 O3' C A 19 3.051 7.452 -4.299 1.00 0.00 O ATOM 354 C2' C A 19 1.853 7.809 -2.205 1.00 0.00 C ATOM 355 O2' C A 19 2.934 8.652 -1.852 1.00 0.00 O ATOM 356 C1' C A 19 0.546 8.546 -1.916 1.00 0.00 C ATOM 357 N1 C A 19 -0.554 7.649 -1.518 1.00 0.00 N ATOM 358 C2 C A 19 -0.763 7.392 -0.152 1.00 0.00 C ATOM 359 O2 C A 19 -0.030 7.939 0.687 1.00 0.00 O ATOM 360 N3 C A 19 -1.759 6.555 0.216 1.00 0.00 N ATOM 361 C4 C A 19 -2.531 5.985 -0.711 1.00 0.00 C ATOM 362 N4 C A 19 -3.494 5.157 -0.297 1.00 0.00 N ATOM 363 C5 C A 19 -2.350 6.235 -2.103 1.00 0.00 C ATOM 364 C6 C A 19 -1.358 7.064 -2.458 1.00 0.00 C ATOM 0 H5' C A 19 -0.455 8.007 -5.373 1.00 0.00 H new ATOM 0 H5'' C A 19 -0.236 9.723 -5.649 1.00 0.00 H new ATOM 0 H4' C A 19 1.850 9.642 -4.390 1.00 0.00 H new ATOM 0 H3' C A 19 1.220 6.718 -4.003 1.00 0.00 H new ATOM 0 H2' C A 19 2.000 6.875 -1.663 1.00 0.00 H new ATOM 0 HO2' C A 19 3.564 8.707 -2.601 1.00 0.00 H new ATOM 0 H1' C A 19 0.720 9.220 -1.078 1.00 0.00 H new ATOM 0 H41 C A 19 -4.104 4.703 -0.977 1.00 0.00 H new ATOM 0 H42 C A 19 -3.620 4.979 0.699 1.00 0.00 H new ATOM 0 H5 C A 19 -2.988 5.774 -2.843 1.00 0.00 H new ATOM 0 H6 C A 19 -1.191 7.274 -3.504 1.00 0.00 H new ATOM 376 P A A 20 3.662 5.975 -4.489 1.00 0.00 P ATOM 377 OP1 A A 20 5.142 6.098 -4.565 1.00 0.00 O ATOM 378 OP2 A A 20 2.922 5.342 -5.609 1.00 0.00 O ATOM 379 O5' A A 20 3.266 5.205 -3.148 1.00 0.00 O ATOM 380 C5' A A 20 4.242 4.885 -2.157 1.00 0.00 C ATOM 381 C4' A A 20 3.820 5.438 -0.812 1.00 0.00 C ATOM 382 O4' A A 20 2.398 5.181 -0.632 1.00 0.00 O ATOM 383 C3' A A 20 4.514 4.826 0.402 1.00 0.00 C ATOM 384 O3' A A 20 4.761 5.804 1.405 1.00 0.00 O ATOM 385 C2' A A 20 3.553 3.740 0.865 1.00 0.00 C ATOM 386 O2' A A 20 3.586 3.594 2.271 1.00 0.00 O ATOM 387 C1' A A 20 2.199 4.329 0.479 1.00 0.00 C ATOM 388 N9 A A 20 1.213 3.313 0.104 1.00 0.00 N ATOM 389 C8 A A 20 0.163 3.443 -0.770 1.00 0.00 C ATOM 390 N7 A A 20 -0.560 2.356 -0.897 1.00 0.00 N ATOM 391 C5 A A 20 0.060 1.444 -0.053 1.00 0.00 C ATOM 392 C6 A A 20 -0.214 0.101 0.261 1.00 0.00 C ATOM 393 N6 A A 20 -1.235 -0.587 -0.252 1.00 0.00 N ATOM 394 N1 A A 20 0.611 -0.520 1.134 1.00 0.00 N ATOM 395 C2 A A 20 1.637 0.173 1.650 1.00 0.00 C ATOM 396 N3 A A 20 1.982 1.432 1.446 1.00 0.00 N ATOM 397 C4 A A 20 1.148 2.021 0.572 1.00 0.00 C ATOM 0 H5' A A 20 5.209 5.299 -2.442 1.00 0.00 H new ATOM 0 H5'' A A 20 4.364 3.804 -2.092 1.00 0.00 H new ATOM 0 H4' A A 20 4.092 6.493 -0.846 1.00 0.00 H new ATOM 0 H3' A A 20 5.499 4.421 0.171 1.00 0.00 H new ATOM 0 H2' A A 20 3.781 2.764 0.437 1.00 0.00 H new ATOM 0 HO2' A A 20 3.058 2.811 2.531 1.00 0.00 H new ATOM 0 H1' A A 20 1.808 4.856 1.349 1.00 0.00 H new ATOM 0 H8 A A 20 -0.049 4.357 -1.305 1.00 0.00 H new ATOM 0 H61 A A 20 -1.380 -1.560 0.016 1.00 0.00 H new ATOM 0 H62 A A 20 -1.871 -0.140 -0.913 1.00 0.00 H new ATOM 0 H2 A A 20 2.272 -0.377 2.329 1.00 0.00 H new ATOM 409 P C A 21 6.176 6.568 1.445 1.00 0.00 P ATOM 410 OP1 C A 21 6.098 7.567 2.541 1.00 0.00 O ATOM 411 OP2 C A 21 6.512 7.017 0.067 1.00 0.00 O ATOM 412 O5' C A 21 7.215 5.442 1.887 1.00 0.00 O ATOM 413 C5' C A 21 7.768 4.529 0.938 1.00 0.00 C ATOM 414 C4' C A 21 7.720 3.122 1.486 1.00 0.00 C ATOM 415 O4' C A 21 6.360 2.626 1.414 1.00 0.00 O ATOM 416 C3' C A 21 8.519 2.086 0.710 1.00 0.00 C ATOM 417 O3' C A 21 9.897 2.111 1.071 1.00 0.00 O ATOM 418 C2' C A 21 7.838 0.777 1.100 1.00 0.00 C ATOM 419 O2' C A 21 8.296 0.312 2.355 1.00 0.00 O ATOM 420 C1' C A 21 6.379 1.217 1.250 1.00 0.00 C ATOM 421 N1 C A 21 5.535 0.860 0.090 1.00 0.00 N ATOM 422 C2 C A 21 4.949 -0.417 0.045 1.00 0.00 C ATOM 423 O2 C A 21 5.146 -1.211 0.981 1.00 0.00 O ATOM 424 N3 C A 21 4.182 -0.752 -1.017 1.00 0.00 N ATOM 425 C4 C A 21 3.986 0.124 -2.004 1.00 0.00 C ATOM 426 N4 C A 21 3.230 -0.258 -3.035 1.00 0.00 N ATOM 427 C5 C A 21 4.559 1.429 -1.979 1.00 0.00 C ATOM 428 C6 C A 21 5.324 1.750 -0.928 1.00 0.00 C ATOM 0 H5' C A 21 8.798 4.805 0.713 1.00 0.00 H new ATOM 0 H5'' C A 21 7.212 4.583 0.002 1.00 0.00 H new ATOM 0 H4' C A 21 8.135 3.222 2.489 1.00 0.00 H new ATOM 0 H3' C A 21 8.523 2.254 -0.367 1.00 0.00 H new ATOM 0 H2' C A 21 8.018 -0.025 0.384 1.00 0.00 H new ATOM 0 HO2' C A 21 8.556 -0.630 2.280 1.00 0.00 H new ATOM 0 H1' C A 21 5.965 0.695 2.112 1.00 0.00 H new ATOM 0 H41 C A 21 3.059 0.385 -3.808 1.00 0.00 H new ATOM 0 H42 C A 21 2.824 -1.193 -3.050 1.00 0.00 H new ATOM 0 H5 C A 21 4.383 2.133 -2.779 1.00 0.00 H new ATOM 0 H6 C A 21 5.782 2.727 -0.883 1.00 0.00 H new ATOM 440 P G A 22 10.981 1.367 0.142 1.00 0.00 P ATOM 441 OP1 G A 22 12.334 1.775 0.602 1.00 0.00 O ATOM 442 OP2 G A 22 10.596 1.580 -1.277 1.00 0.00 O ATOM 443 O5' G A 22 10.782 -0.177 0.480 1.00 0.00 O ATOM 444 C5' G A 22 11.136 -0.699 1.759 1.00 0.00 C ATOM 445 C4' G A 22 10.784 -2.166 1.841 1.00 0.00 C ATOM 446 O4' G A 22 9.371 -2.332 1.552 1.00 0.00 O ATOM 447 C3' G A 22 11.484 -3.069 0.835 1.00 0.00 C ATOM 448 O3' G A 22 12.767 -3.476 1.298 1.00 0.00 O ATOM 449 C2' G A 22 10.517 -4.240 0.710 1.00 0.00 C ATOM 450 O2' G A 22 10.638 -5.133 1.802 1.00 0.00 O ATOM 451 C1' G A 22 9.170 -3.525 0.813 1.00 0.00 C ATOM 452 N9 G A 22 8.593 -3.176 -0.484 1.00 0.00 N ATOM 453 C8 G A 22 8.472 -1.921 -1.029 1.00 0.00 C ATOM 454 N7 G A 22 7.914 -1.922 -2.209 1.00 0.00 N ATOM 455 C5 G A 22 7.647 -3.261 -2.460 1.00 0.00 C ATOM 456 C6 G A 22 7.045 -3.881 -3.586 1.00 0.00 C ATOM 457 O6 G A 22 6.615 -3.354 -4.619 1.00 0.00 O ATOM 458 N1 G A 22 6.966 -5.262 -3.428 1.00 0.00 N ATOM 459 C2 G A 22 7.409 -5.957 -2.329 1.00 0.00 C ATOM 460 N2 G A 22 7.245 -7.288 -2.365 1.00 0.00 N ATOM 461 N3 G A 22 7.971 -5.392 -1.274 1.00 0.00 N ATOM 462 C4 G A 22 8.058 -4.050 -1.406 1.00 0.00 C ATOM 0 H5' G A 22 10.614 -0.148 2.542 1.00 0.00 H new ATOM 0 H5'' G A 22 12.204 -0.564 1.932 1.00 0.00 H new ATOM 0 H4' G A 22 11.092 -2.456 2.846 1.00 0.00 H new ATOM 0 H3' G A 22 11.688 -2.582 -0.119 1.00 0.00 H new ATOM 0 H2' G A 22 10.675 -4.833 -0.191 1.00 0.00 H new ATOM 0 HO2' G A 22 10.003 -5.872 1.692 1.00 0.00 H new ATOM 0 H1' G A 22 8.470 -4.207 1.296 1.00 0.00 H new ATOM 0 H8 G A 22 8.805 -1.023 -0.531 1.00 0.00 H new ATOM 0 H1 G A 22 6.547 -5.799 -4.187 1.00 0.00 H new ATOM 0 H21 G A 22 7.553 -7.861 -1.580 1.00 0.00 H new ATOM 0 H22 G A 22 6.812 -7.727 -3.178 1.00 0.00 H new ATOM 474 P G A 23 13.873 -3.974 0.244 1.00 0.00 P ATOM 475 OP1 G A 23 15.082 -4.390 1.001 1.00 0.00 O ATOM 476 OP2 G A 23 13.990 -2.930 -0.807 1.00 0.00 O ATOM 477 O5' G A 23 13.218 -5.268 -0.417 1.00 0.00 O ATOM 478 C5' G A 23 13.091 -6.483 0.318 1.00 0.00 C ATOM 479 C4' G A 23 12.560 -7.582 -0.575 1.00 0.00 C ATOM 480 O4' G A 23 11.235 -7.216 -1.038 1.00 0.00 O ATOM 481 C3' G A 23 13.349 -7.834 -1.852 1.00 0.00 C ATOM 482 O3' G A 23 14.462 -8.703 -1.634 1.00 0.00 O ATOM 483 C2' G A 23 12.303 -8.451 -2.778 1.00 0.00 C ATOM 484 O2' G A 23 12.130 -9.832 -2.515 1.00 0.00 O ATOM 485 C1' G A 23 11.034 -7.714 -2.349 1.00 0.00 C ATOM 486 N9 G A 23 10.684 -6.595 -3.221 1.00 0.00 N ATOM 487 C8 G A 23 10.867 -5.256 -2.970 1.00 0.00 C ATOM 488 N7 G A 23 10.456 -4.489 -3.941 1.00 0.00 N ATOM 489 C5 G A 23 9.970 -5.372 -4.895 1.00 0.00 C ATOM 490 C6 G A 23 9.392 -5.124 -6.168 1.00 0.00 C ATOM 491 O6 G A 23 9.187 -4.039 -6.724 1.00 0.00 O ATOM 492 N1 G A 23 9.035 -6.307 -6.808 1.00 0.00 N ATOM 493 C2 G A 23 9.211 -7.567 -6.291 1.00 0.00 C ATOM 494 N2 G A 23 8.800 -8.585 -7.062 1.00 0.00 N ATOM 495 N3 G A 23 9.748 -7.814 -5.107 1.00 0.00 N ATOM 496 C4 G A 23 10.103 -6.677 -4.467 1.00 0.00 C ATOM 0 H5' G A 23 12.420 -6.336 1.164 1.00 0.00 H new ATOM 0 H5'' G A 23 14.059 -6.772 0.726 1.00 0.00 H new ATOM 0 H4' G A 23 12.608 -8.475 0.048 1.00 0.00 H new ATOM 0 H3' G A 23 13.801 -6.931 -2.263 1.00 0.00 H new ATOM 0 H2' G A 23 12.566 -8.364 -3.832 1.00 0.00 H new ATOM 0 HO2' G A 23 12.934 -10.185 -2.080 1.00 0.00 H new ATOM 0 HO3' G A 23 14.940 -8.840 -2.478 1.00 0.00 H new ATOM 0 H1' G A 23 10.212 -8.427 -2.403 1.00 0.00 H new ATOM 0 H8 G A 23 11.307 -4.877 -2.059 1.00 0.00 H new ATOM 0 H1 G A 23 8.610 -6.233 -7.732 1.00 0.00 H new ATOM 0 H21 G A 23 8.903 -9.546 -6.735 1.00 0.00 H new ATOM 0 H22 G A 23 8.385 -8.398 -7.975 1.00 0.00 H new TER 508 G A 23