USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 1 G O2' : rot 180:sc= -0.408 USER MOD Single : A 1 G O5' : rot 24:sc= 0.316 USER MOD Single : A 2 A O2' : rot 180:sc= -0.204 USER MOD Single : A 3 G O2' : rot 180:sc= -0.322 USER MOD Single : A 4 G O2' : rot -14:sc= -0.305 USER MOD Single : A 5 U O2' : rot 180:sc= -0.315 USER MOD Single : A 6 C O2' : rot 180:sc= -0.366 USER MOD Single : A 7 U O2' : rot 180:sc= -0.423 USER MOD Single : A 8 C O2' : rot -18:sc= 0.114 USER MOD Single : A 8 C O3' : rot 180:sc= 0.136 USER MOD Single : B 9 G O2' : rot 180:sc= -0.399 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.21 USER MOD Single : B 11 G O2' : rot 180:sc= -0.327 USER MOD Single : B 12 G O2' : rot -20:sc= -0.24 USER MOD Single : B 13 U O2' : rot 180:sc= -0.293 USER MOD Single : B 14 C O2' : rot -25:sc= 0.109 USER MOD Single : B 15 U O2' : rot 180:sc= -0.434 USER MOD Single : B 16 C O2' : rot -20:sc= 0.128 USER MOD Single : B 16 C O3' : rot 180:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.937 -9.665 5.367 1.00 0.00 O ATOM 2 C5' G A 1 6.551 -9.145 4.114 1.00 0.00 C ATOM 3 C4' G A 1 7.416 -7.932 3.767 1.00 0.00 C ATOM 4 O4' G A 1 7.046 -7.385 2.503 1.00 0.00 O ATOM 5 C3' G A 1 7.237 -6.796 4.755 1.00 0.00 C ATOM 6 O3' G A 1 7.955 -6.996 5.958 1.00 0.00 O ATOM 7 C2' G A 1 7.800 -5.658 3.944 1.00 0.00 C ATOM 8 O2' G A 1 9.209 -5.742 3.910 1.00 0.00 O ATOM 9 C1' G A 1 7.261 -5.967 2.555 1.00 0.00 C ATOM 10 N9 G A 1 5.980 -5.261 2.362 1.00 0.00 N ATOM 11 C8 G A 1 4.707 -5.710 2.585 1.00 0.00 C ATOM 12 N7 G A 1 3.780 -4.834 2.315 1.00 0.00 N ATOM 13 C5 G A 1 4.492 -3.717 1.888 1.00 0.00 C ATOM 14 C6 G A 1 4.024 -2.438 1.466 1.00 0.00 C ATOM 15 O6 G A 1 2.864 -2.045 1.368 1.00 0.00 O ATOM 16 N1 G A 1 5.077 -1.588 1.144 1.00 0.00 N ATOM 17 C2 G A 1 6.412 -1.924 1.213 1.00 0.00 C ATOM 18 N2 G A 1 7.290 -0.976 0.871 1.00 0.00 N ATOM 19 N3 G A 1 6.854 -3.124 1.601 1.00 0.00 N ATOM 20 C4 G A 1 5.842 -3.967 1.924 1.00 0.00 C ATOM 0 H5' G A 1 5.500 -8.859 4.137 1.00 0.00 H new ATOM 0 H5'' G A 1 6.656 -9.910 3.345 1.00 0.00 H new ATOM 0 H4' G A 1 8.441 -8.302 3.776 1.00 0.00 H new ATOM 0 H3' G A 1 6.213 -6.657 5.103 1.00 0.00 H new ATOM 0 H2' G A 1 7.539 -4.673 4.330 1.00 0.00 H new ATOM 0 HO2' G A 1 9.568 -5.000 3.380 1.00 0.00 H new ATOM 0 HO5' G A 1 7.367 -8.960 5.895 1.00 0.00 H new ATOM 0 H1' G A 1 7.954 -5.647 1.777 1.00 0.00 H new ATOM 0 H8 G A 1 4.489 -6.702 2.952 1.00 0.00 H new ATOM 0 H1 G A 1 4.844 -0.645 0.833 1.00 0.00 H new ATOM 0 H21 G A 1 8.291 -1.172 0.904 1.00 0.00 H new ATOM 0 H22 G A 1 6.959 -0.057 0.577 1.00 0.00 H new ATOM 33 P A A 2 7.655 -6.086 7.259 1.00 0.00 P ATOM 34 OP1 A A 2 8.591 -6.492 8.331 1.00 0.00 O ATOM 35 OP2 A A 2 6.197 -6.118 7.507 1.00 0.00 O ATOM 36 O5' A A 2 8.047 -4.595 6.788 1.00 0.00 O ATOM 37 C5' A A 2 9.398 -4.198 6.674 1.00 0.00 C ATOM 38 C4' A A 2 9.457 -2.744 6.198 1.00 0.00 C ATOM 39 O4' A A 2 8.784 -2.578 4.955 1.00 0.00 O ATOM 40 C3' A A 2 8.749 -1.806 7.151 1.00 0.00 C ATOM 41 O3' A A 2 9.528 -1.526 8.302 1.00 0.00 O ATOM 42 C2' A A 2 8.568 -0.599 6.268 1.00 0.00 C ATOM 43 O2' A A 2 9.788 0.107 6.163 1.00 0.00 O ATOM 44 C1' A A 2 8.253 -1.244 4.918 1.00 0.00 C ATOM 45 N9 A A 2 6.788 -1.280 4.702 1.00 0.00 N ATOM 46 C8 A A 2 5.910 -2.322 4.876 1.00 0.00 C ATOM 47 N7 A A 2 4.670 -2.021 4.596 1.00 0.00 N ATOM 48 C5 A A 2 4.730 -0.685 4.209 1.00 0.00 C ATOM 49 C6 A A 2 3.747 0.232 3.786 1.00 0.00 C ATOM 50 N6 A A 2 2.449 -0.077 3.681 1.00 0.00 N ATOM 51 N1 A A 2 4.149 1.479 3.475 1.00 0.00 N ATOM 52 C2 A A 2 5.439 1.786 3.579 1.00 0.00 C ATOM 53 N3 A A 2 6.452 1.019 3.962 1.00 0.00 N ATOM 54 C4 A A 2 6.017 -0.226 4.269 1.00 0.00 C ATOM 0 H5' A A 2 9.921 -4.845 5.970 1.00 0.00 H new ATOM 0 H5'' A A 2 9.902 -4.299 7.635 1.00 0.00 H new ATOM 0 H4' A A 2 10.520 -2.513 6.125 1.00 0.00 H new ATOM 0 H3' A A 2 7.822 -2.198 7.569 1.00 0.00 H new ATOM 0 H2' A A 2 7.815 0.102 6.628 1.00 0.00 H new ATOM 0 HO2' A A 2 9.664 0.890 5.587 1.00 0.00 H new ATOM 0 H1' A A 2 8.696 -0.675 4.101 1.00 0.00 H new ATOM 0 H8 A A 2 6.217 -3.301 5.214 1.00 0.00 H new ATOM 0 H61 A A 2 1.781 0.628 3.369 1.00 0.00 H new ATOM 0 H62 A A 2 2.128 -1.017 3.913 1.00 0.00 H new ATOM 0 H2 A A 2 5.698 2.801 3.315 1.00 0.00 H new ATOM 66 P G A 3 8.863 -0.863 9.618 1.00 0.00 P ATOM 67 OP1 G A 3 9.929 -0.671 10.625 1.00 0.00 O ATOM 68 OP2 G A 3 7.661 -1.652 9.964 1.00 0.00 O ATOM 69 O5' G A 3 8.378 0.588 9.121 1.00 0.00 O ATOM 70 C5' G A 3 9.299 1.645 8.934 1.00 0.00 C ATOM 71 C4' G A 3 8.537 2.867 8.421 1.00 0.00 C ATOM 72 O4' G A 3 7.869 2.565 7.203 1.00 0.00 O ATOM 73 C3' G A 3 7.453 3.308 9.367 1.00 0.00 C ATOM 74 O3' G A 3 7.971 4.040 10.467 1.00 0.00 O ATOM 75 C2' G A 3 6.648 4.182 8.434 1.00 0.00 C ATOM 76 O2' G A 3 7.274 5.439 8.285 1.00 0.00 O ATOM 77 C1' G A 3 6.742 3.434 7.107 1.00 0.00 C ATOM 78 N9 G A 3 5.501 2.664 6.905 1.00 0.00 N ATOM 79 C8 G A 3 5.250 1.335 7.129 1.00 0.00 C ATOM 80 N7 G A 3 4.015 0.984 6.896 1.00 0.00 N ATOM 81 C5 G A 3 3.403 2.169 6.492 1.00 0.00 C ATOM 82 C6 G A 3 2.052 2.425 6.112 1.00 0.00 C ATOM 83 O6 G A 3 1.114 1.633 6.044 1.00 0.00 O ATOM 84 N1 G A 3 1.857 3.764 5.793 1.00 0.00 N ATOM 85 C2 G A 3 2.835 4.735 5.825 1.00 0.00 C ATOM 86 N2 G A 3 2.472 5.972 5.477 1.00 0.00 N ATOM 87 N3 G A 3 4.099 4.497 6.174 1.00 0.00 N ATOM 88 C4 G A 3 4.310 3.199 6.496 1.00 0.00 C ATOM 0 H5' G A 3 10.071 1.353 8.222 1.00 0.00 H new ATOM 0 H5'' G A 3 9.803 1.879 9.872 1.00 0.00 H new ATOM 0 H4' G A 3 9.289 3.648 8.304 1.00 0.00 H new ATOM 0 H3' G A 3 6.896 2.500 9.842 1.00 0.00 H new ATOM 0 H2' G A 3 5.631 4.357 8.784 1.00 0.00 H new ATOM 0 HO2' G A 3 6.745 5.998 7.678 1.00 0.00 H new ATOM 0 H1' G A 3 6.862 4.112 6.262 1.00 0.00 H new ATOM 0 H8 G A 3 6.006 0.642 7.468 1.00 0.00 H new ATOM 0 H1 G A 3 0.918 4.050 5.514 1.00 0.00 H new ATOM 0 H21 G A 3 3.159 6.726 5.484 1.00 0.00 H new ATOM 0 H22 G A 3 1.508 6.163 5.204 1.00 0.00 H new ATOM 100 P G A 4 7.001 4.570 11.649 1.00 0.00 P ATOM 101 OP1 G A 4 7.855 5.060 12.754 1.00 0.00 O ATOM 102 OP2 G A 4 5.993 3.520 11.914 1.00 0.00 O ATOM 103 O5' G A 4 6.238 5.845 11.008 1.00 0.00 O ATOM 104 C5' G A 4 6.909 7.078 10.812 1.00 0.00 C ATOM 105 C4' G A 4 5.911 8.139 10.325 1.00 0.00 C ATOM 106 O4' G A 4 5.297 7.757 9.093 1.00 0.00 O ATOM 107 C3' G A 4 4.775 8.338 11.311 1.00 0.00 C ATOM 108 O3' G A 4 5.134 9.209 12.367 1.00 0.00 O ATOM 109 C2' G A 4 3.739 8.965 10.412 1.00 0.00 C ATOM 110 O2' G A 4 4.071 10.318 10.177 1.00 0.00 O ATOM 111 C1' G A 4 3.928 8.192 9.118 1.00 0.00 C ATOM 112 N9 G A 4 3.038 7.016 9.078 1.00 0.00 N ATOM 113 C8 G A 4 3.368 5.698 9.218 1.00 0.00 C ATOM 114 N7 G A 4 2.363 4.879 9.075 1.00 0.00 N ATOM 115 C5 G A 4 1.282 5.718 8.823 1.00 0.00 C ATOM 116 C6 G A 4 -0.088 5.402 8.581 1.00 0.00 C ATOM 117 O6 G A 4 -0.617 4.295 8.534 1.00 0.00 O ATOM 118 N1 G A 4 -0.853 6.547 8.389 1.00 0.00 N ATOM 119 C2 G A 4 -0.364 7.836 8.406 1.00 0.00 C ATOM 120 N2 G A 4 -1.251 8.815 8.202 1.00 0.00 N ATOM 121 N3 G A 4 0.923 8.137 8.623 1.00 0.00 N ATOM 122 C4 G A 4 1.686 7.032 8.826 1.00 0.00 C ATOM 0 H5' G A 4 7.709 6.955 10.082 1.00 0.00 H new ATOM 0 H5'' G A 4 7.374 7.402 11.743 1.00 0.00 H new ATOM 0 H4' G A 4 6.495 9.052 10.210 1.00 0.00 H new ATOM 0 H3' G A 4 4.456 7.427 11.817 1.00 0.00 H new ATOM 0 H2' G A 4 2.729 8.933 10.820 1.00 0.00 H new ATOM 0 HO2' G A 4 4.759 10.601 10.814 1.00 0.00 H new ATOM 0 H1' G A 4 3.689 8.820 8.260 1.00 0.00 H new ATOM 0 H8 G A 4 4.373 5.363 9.429 1.00 0.00 H new ATOM 0 H1 G A 4 -1.852 6.424 8.223 1.00 0.00 H new ATOM 0 H21 G A 4 -0.946 9.788 8.204 1.00 0.00 H new ATOM 0 H22 G A 4 -2.233 8.589 8.045 1.00 0.00 H new ATOM 134 P U A 5 4.318 9.205 13.756 1.00 0.00 P ATOM 135 OP1 U A 5 4.737 10.387 14.542 1.00 0.00 O ATOM 136 OP2 U A 5 4.436 7.854 14.346 1.00 0.00 O ATOM 137 O5' U A 5 2.784 9.416 13.309 1.00 0.00 O ATOM 138 C5' U A 5 2.292 10.680 12.921 1.00 0.00 C ATOM 139 C4' U A 5 0.789 10.571 12.618 1.00 0.00 C ATOM 140 O4' U A 5 0.496 9.803 11.443 1.00 0.00 O ATOM 141 C3' U A 5 0.025 9.923 13.740 1.00 0.00 C ATOM 142 O3' U A 5 -0.183 10.800 14.830 1.00 0.00 O ATOM 143 C2' U A 5 -1.250 9.618 13.003 1.00 0.00 C ATOM 144 O2' U A 5 -1.985 10.805 12.784 1.00 0.00 O ATOM 145 C1' U A 5 -0.741 9.103 11.679 1.00 0.00 C ATOM 146 N1 U A 5 -0.471 7.648 11.752 1.00 0.00 N ATOM 147 C2 U A 5 -1.507 6.762 11.475 1.00 0.00 C ATOM 148 O2 U A 5 -2.650 7.138 11.217 1.00 0.00 O ATOM 149 N3 U A 5 -1.178 5.415 11.505 1.00 0.00 N ATOM 150 C4 U A 5 0.073 4.888 11.786 1.00 0.00 C ATOM 151 O4 U A 5 0.254 3.673 11.786 1.00 0.00 O ATOM 152 C5 U A 5 1.083 5.884 12.062 1.00 0.00 C ATOM 153 C6 U A 5 0.782 7.203 12.033 1.00 0.00 C ATOM 0 H5' U A 5 2.827 11.036 12.041 1.00 0.00 H new ATOM 0 H5'' U A 5 2.463 11.408 13.714 1.00 0.00 H new ATOM 0 H4' U A 5 0.482 11.607 12.475 1.00 0.00 H new ATOM 0 H3' U A 5 0.515 9.069 14.208 1.00 0.00 H new ATOM 0 H2' U A 5 -1.904 8.928 13.536 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.812 10.594 12.302 1.00 0.00 H new ATOM 0 H1' U A 5 -1.472 9.264 10.887 1.00 0.00 H new ATOM 0 H3 U A 5 -1.925 4.751 11.302 1.00 0.00 H new ATOM 0 H5 U A 5 2.090 5.572 12.294 1.00 0.00 H new ATOM 0 H6 U A 5 1.560 7.923 12.239 1.00 0.00 H new ATOM 164 P C A 6 -0.648 10.232 16.267 1.00 0.00 P ATOM 165 OP1 C A 6 -0.914 11.385 17.156 1.00 0.00 O ATOM 166 OP2 C A 6 0.320 9.193 16.680 1.00 0.00 O ATOM 167 O5' C A 6 -2.048 9.510 15.948 1.00 0.00 O ATOM 168 C5' C A 6 -3.219 10.259 15.715 1.00 0.00 C ATOM 169 C4' C A 6 -4.361 9.308 15.357 1.00 0.00 C ATOM 170 O4' C A 6 -4.075 8.562 14.173 1.00 0.00 O ATOM 171 C3' C A 6 -4.606 8.271 16.432 1.00 0.00 C ATOM 172 O3' C A 6 -5.318 8.789 17.539 1.00 0.00 O ATOM 173 C2' C A 6 -5.425 7.282 15.645 1.00 0.00 C ATOM 174 O2' C A 6 -6.729 7.788 15.449 1.00 0.00 O ATOM 175 C1' C A 6 -4.699 7.275 14.304 1.00 0.00 C ATOM 176 N1 C A 6 -3.682 6.195 14.293 1.00 0.00 N ATOM 177 C2 C A 6 -4.143 4.902 14.097 1.00 0.00 C ATOM 178 O2 C A 6 -5.338 4.698 13.902 1.00 0.00 O ATOM 179 N3 C A 6 -3.244 3.881 14.131 1.00 0.00 N ATOM 180 C4 C A 6 -1.944 4.116 14.355 1.00 0.00 C ATOM 181 N4 C A 6 -1.098 3.082 14.387 1.00 0.00 N ATOM 182 C5 C A 6 -1.451 5.447 14.552 1.00 0.00 C ATOM 183 C6 C A 6 -2.354 6.450 14.506 1.00 0.00 C ATOM 0 H5' C A 6 -3.055 10.970 14.906 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.477 10.839 16.601 1.00 0.00 H new ATOM 0 H4' C A 6 -5.229 9.955 15.229 1.00 0.00 H new ATOM 0 H3' C A 6 -3.703 7.868 16.891 1.00 0.00 H new ATOM 0 H2' C A 6 -5.518 6.307 16.123 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.257 7.142 14.936 1.00 0.00 H new ATOM 0 H1' C A 6 -5.383 7.092 13.475 1.00 0.00 H new ATOM 0 H41 C A 6 -0.105 3.241 14.556 1.00 0.00 H new ATOM 0 H42 C A 6 -1.446 2.134 14.242 1.00 0.00 H new ATOM 0 H5 C A 6 -0.403 5.640 14.729 1.00 0.00 H new ATOM 0 H6 C A 6 -2.023 7.469 14.639 1.00 0.00 H new ATOM 195 P U A 7 -5.384 7.972 18.930 1.00 0.00 P ATOM 196 OP1 U A 7 -6.237 8.733 19.870 1.00 0.00 O ATOM 197 OP2 U A 7 -3.999 7.623 19.317 1.00 0.00 O ATOM 198 O5' U A 7 -6.152 6.606 18.550 1.00 0.00 O ATOM 199 C5' U A 7 -7.547 6.589 18.333 1.00 0.00 C ATOM 200 C4' U A 7 -8.007 5.152 18.077 1.00 0.00 C ATOM 201 O4' U A 7 -7.371 4.582 16.927 1.00 0.00 O ATOM 202 C3' U A 7 -7.645 4.226 19.219 1.00 0.00 C ATOM 203 O3' U A 7 -8.496 4.366 20.341 1.00 0.00 O ATOM 204 C2' U A 7 -7.836 2.902 18.533 1.00 0.00 C ATOM 205 O2' U A 7 -9.215 2.634 18.392 1.00 0.00 O ATOM 206 C1' U A 7 -7.253 3.163 17.153 1.00 0.00 C ATOM 207 N1 U A 7 -5.831 2.727 17.093 1.00 0.00 N ATOM 208 C2 U A 7 -5.594 1.365 16.964 1.00 0.00 C ATOM 209 O2 U A 7 -6.506 0.542 16.923 1.00 0.00 O ATOM 210 N3 U A 7 -4.268 0.977 16.880 1.00 0.00 N ATOM 211 C4 U A 7 -3.169 1.818 16.917 1.00 0.00 C ATOM 212 O4 U A 7 -2.031 1.360 16.845 1.00 0.00 O ATOM 213 C5 U A 7 -3.504 3.222 17.039 1.00 0.00 C ATOM 214 C6 U A 7 -4.795 3.628 17.119 1.00 0.00 C ATOM 0 H5' U A 7 -7.801 7.220 17.482 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.065 6.999 19.200 1.00 0.00 H new ATOM 0 H4' U A 7 -9.086 5.229 17.947 1.00 0.00 H new ATOM 0 H3' U A 7 -6.657 4.400 19.646 1.00 0.00 H new ATOM 0 H2' U A 7 -7.384 2.066 19.067 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.336 1.771 17.944 1.00 0.00 H new ATOM 0 H1' U A 7 -7.783 2.601 16.384 1.00 0.00 H new ATOM 0 H3 U A 7 -4.083 -0.021 16.782 1.00 0.00 H new ATOM 0 H5 U A 7 -2.713 3.957 17.067 1.00 0.00 H new ATOM 0 H6 U A 7 -5.013 4.682 17.205 1.00 0.00 H new ATOM 225 P C A 8 -8.138 3.642 21.743 1.00 0.00 P ATOM 226 OP1 C A 8 -9.211 3.958 22.712 1.00 0.00 O ATOM 227 OP2 C A 8 -6.733 3.967 22.075 1.00 0.00 O ATOM 228 O5' C A 8 -8.216 2.065 21.406 1.00 0.00 O ATOM 229 C5' C A 8 -9.461 1.410 21.265 1.00 0.00 C ATOM 230 C4' C A 8 -9.231 -0.075 20.963 1.00 0.00 C ATOM 231 O4' C A 8 -8.472 -0.265 19.773 1.00 0.00 O ATOM 232 C3' C A 8 -8.426 -0.767 22.039 1.00 0.00 C ATOM 233 O3' C A 8 -9.181 -1.031 23.202 1.00 0.00 O ATOM 234 C2' C A 8 -8.038 -2.027 21.320 1.00 0.00 C ATOM 235 O2' C A 8 -9.141 -2.908 21.268 1.00 0.00 O ATOM 236 C1' C A 8 -7.744 -1.500 19.915 1.00 0.00 C ATOM 237 N1 C A 8 -6.282 -1.270 19.768 1.00 0.00 N ATOM 238 C2 C A 8 -5.477 -2.382 19.548 1.00 0.00 C ATOM 239 O2 C A 8 -5.979 -3.500 19.457 1.00 0.00 O ATOM 240 N3 C A 8 -4.131 -2.195 19.440 1.00 0.00 N ATOM 241 C4 C A 8 -3.595 -0.970 19.546 1.00 0.00 C ATOM 242 N4 C A 8 -2.271 -0.829 19.424 1.00 0.00 N ATOM 243 C5 C A 8 -4.411 0.182 19.781 1.00 0.00 C ATOM 244 C6 C A 8 -5.742 -0.020 19.882 1.00 0.00 C ATOM 0 H5' C A 8 -10.036 1.870 20.461 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.046 1.519 22.178 1.00 0.00 H new ATOM 0 H4' C A 8 -10.236 -0.490 20.883 1.00 0.00 H new ATOM 0 H3' C A 8 -7.590 -0.180 22.418 1.00 0.00 H new ATOM 0 H2' C A 8 -7.215 -2.571 21.783 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.803 -2.643 21.940 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.615 -1.480 23.864 1.00 0.00 H new ATOM 0 H1' C A 8 -8.048 -2.211 19.147 1.00 0.00 H new ATOM 0 H41 C A 8 -1.847 0.096 19.502 1.00 0.00 H new ATOM 0 H42 C A 8 -1.685 -1.646 19.253 1.00 0.00 H new ATOM 0 H5 C A 8 -3.981 1.169 19.873 1.00 0.00 H new ATOM 0 H6 C A 8 -6.393 0.824 20.056 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.405 -11.303 17.744 1.00 0.00 O ATOM 259 C5' G B 9 2.817 -10.520 16.728 1.00 0.00 C ATOM 260 C4' G B 9 1.317 -10.384 16.990 1.00 0.00 C ATOM 261 O4' G B 9 1.066 -9.646 18.185 1.00 0.00 O ATOM 262 C3' G B 9 0.623 -9.601 15.895 1.00 0.00 C ATOM 263 O3' G B 9 0.395 -10.375 14.733 1.00 0.00 O ATOM 264 C2' G B 9 -0.658 -9.247 16.604 1.00 0.00 C ATOM 265 O2' G B 9 -1.497 -10.381 16.675 1.00 0.00 O ATOM 266 C1' G B 9 -0.160 -8.921 18.005 1.00 0.00 C ATOM 267 N9 G B 9 0.098 -7.473 18.106 1.00 0.00 N ATOM 268 C8 G B 9 1.267 -6.790 17.902 1.00 0.00 C ATOM 269 N7 G B 9 1.165 -5.501 18.071 1.00 0.00 N ATOM 270 C5 G B 9 -0.173 -5.313 18.403 1.00 0.00 C ATOM 271 C6 G B 9 -0.886 -4.113 18.693 1.00 0.00 C ATOM 272 O6 G B 9 -0.457 -2.963 18.731 1.00 0.00 O ATOM 273 N1 G B 9 -2.229 -4.366 18.953 1.00 0.00 N ATOM 274 C2 G B 9 -2.816 -5.613 18.941 1.00 0.00 C ATOM 275 N2 G B 9 -4.124 -5.666 19.207 1.00 0.00 N ATOM 276 N3 G B 9 -2.149 -6.741 18.677 1.00 0.00 N ATOM 277 C4 G B 9 -0.836 -6.516 18.416 1.00 0.00 C ATOM 0 H5' G B 9 2.986 -10.981 15.755 1.00 0.00 H new ATOM 0 H5'' G B 9 3.282 -9.535 16.699 1.00 0.00 H new ATOM 0 H4' G B 9 0.942 -11.406 17.051 1.00 0.00 H new ATOM 0 H3' G B 9 1.190 -8.752 15.514 1.00 0.00 H new ATOM 0 H2' G B 9 -1.223 -8.450 16.120 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.328 -10.145 17.138 1.00 0.00 H new ATOM 0 HO5' G B 9 4.366 -11.391 17.574 1.00 0.00 H new ATOM 0 H1' G B 9 -0.893 -9.196 18.764 1.00 0.00 H new ATOM 0 H8 G B 9 2.191 -7.276 17.626 1.00 0.00 H new ATOM 0 H1 G B 9 -2.825 -3.567 19.169 1.00 0.00 H new ATOM 0 H21 G B 9 -4.608 -6.564 19.211 1.00 0.00 H new ATOM 0 H22 G B 9 -4.639 -4.808 19.406 1.00 0.00 H new ATOM 290 P A B 10 -0.029 -9.672 13.343 1.00 0.00 P ATOM 291 OP1 A B 10 -0.252 -10.735 12.338 1.00 0.00 O ATOM 292 OP2 A B 10 0.945 -8.593 13.066 1.00 0.00 O ATOM 293 O5' A B 10 -1.450 -8.987 13.673 1.00 0.00 O ATOM 294 C5' A B 10 -2.627 -9.761 13.776 1.00 0.00 C ATOM 295 C4' A B 10 -3.804 -8.842 14.112 1.00 0.00 C ATOM 296 O4' A B 10 -3.574 -8.129 15.323 1.00 0.00 O ATOM 297 C3' A B 10 -4.004 -7.770 13.066 1.00 0.00 C ATOM 298 O3' A B 10 -4.633 -8.271 11.897 1.00 0.00 O ATOM 299 C2' A B 10 -4.878 -6.810 13.827 1.00 0.00 C ATOM 300 O2' A B 10 -6.198 -7.307 13.885 1.00 0.00 O ATOM 301 C1' A B 10 -4.267 -6.876 15.227 1.00 0.00 C ATOM 302 N9 A B 10 -3.325 -5.750 15.422 1.00 0.00 N ATOM 303 C8 A B 10 -1.955 -5.739 15.333 1.00 0.00 C ATOM 304 N7 A B 10 -1.420 -4.569 15.559 1.00 0.00 N ATOM 305 C5 A B 10 -2.513 -3.747 15.817 1.00 0.00 C ATOM 306 C6 A B 10 -2.626 -2.377 16.130 1.00 0.00 C ATOM 307 N6 A B 10 -1.574 -1.558 16.241 1.00 0.00 N ATOM 308 N1 A B 10 -3.863 -1.881 16.328 1.00 0.00 N ATOM 309 C2 A B 10 -4.909 -2.695 16.219 1.00 0.00 C ATOM 310 N3 A B 10 -4.934 -3.990 15.931 1.00 0.00 N ATOM 311 C4 A B 10 -3.678 -4.459 15.738 1.00 0.00 C ATOM 0 H5' A B 10 -2.511 -10.521 14.549 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.815 -10.285 12.839 1.00 0.00 H new ATOM 0 H4' A B 10 -4.669 -9.502 14.178 1.00 0.00 H new ATOM 0 H3' A B 10 -3.084 -7.332 12.680 1.00 0.00 H new ATOM 0 H2' A B 10 -4.922 -5.812 13.391 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.762 -6.679 14.382 1.00 0.00 H new ATOM 0 H1' A B 10 -5.037 -6.801 15.995 1.00 0.00 H new ATOM 0 H8 A B 10 -1.373 -6.618 15.098 1.00 0.00 H new ATOM 0 H61 A B 10 -1.716 -0.574 16.470 1.00 0.00 H new ATOM 0 H62 A B 10 -0.630 -1.917 16.097 1.00 0.00 H new ATOM 0 H2 A B 10 -5.873 -2.238 16.389 1.00 0.00 H new ATOM 323 P G B 11 -4.650 -7.413 10.528 1.00 0.00 P ATOM 324 OP1 G B 11 -5.387 -8.190 9.507 1.00 0.00 O ATOM 325 OP2 G B 11 -3.266 -6.969 10.253 1.00 0.00 O ATOM 326 O5' G B 11 -5.525 -6.113 10.894 1.00 0.00 O ATOM 327 C5' G B 11 -6.933 -6.182 10.995 1.00 0.00 C ATOM 328 C4' G B 11 -7.459 -4.804 11.397 1.00 0.00 C ATOM 329 O4' G B 11 -6.886 -4.389 12.631 1.00 0.00 O ATOM 330 C3' G B 11 -7.083 -3.735 10.406 1.00 0.00 C ATOM 331 O3' G B 11 -7.912 -3.761 9.255 1.00 0.00 O ATOM 332 C2' G B 11 -7.331 -2.509 11.256 1.00 0.00 C ATOM 333 O2' G B 11 -8.714 -2.231 11.316 1.00 0.00 O ATOM 334 C1' G B 11 -6.866 -2.962 12.636 1.00 0.00 C ATOM 335 N9 G B 11 -5.500 -2.456 12.866 1.00 0.00 N ATOM 336 C8 G B 11 -4.296 -3.102 12.744 1.00 0.00 C ATOM 337 N7 G B 11 -3.262 -2.339 12.972 1.00 0.00 N ATOM 338 C5 G B 11 -3.822 -1.096 13.259 1.00 0.00 C ATOM 339 C6 G B 11 -3.194 0.144 13.580 1.00 0.00 C ATOM 340 O6 G B 11 -1.995 0.389 13.688 1.00 0.00 O ATOM 341 N1 G B 11 -4.131 1.153 13.781 1.00 0.00 N ATOM 342 C2 G B 11 -5.498 0.991 13.697 1.00 0.00 C ATOM 343 N2 G B 11 -6.251 2.068 13.930 1.00 0.00 N ATOM 344 N3 G B 11 -6.086 -0.169 13.403 1.00 0.00 N ATOM 345 C4 G B 11 -5.191 -1.164 13.196 1.00 0.00 C ATOM 0 H5' G B 11 -7.224 -6.929 11.734 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.366 -6.490 10.043 1.00 0.00 H new ATOM 0 H4' G B 11 -8.542 -4.913 11.455 1.00 0.00 H new ATOM 0 H3' G B 11 -6.077 -3.818 9.994 1.00 0.00 H new ATOM 0 H2' G B 11 -6.831 -1.617 10.879 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.864 -1.436 11.869 1.00 0.00 H new ATOM 0 H1' G B 11 -7.508 -2.582 13.431 1.00 0.00 H new ATOM 0 H8 G B 11 -4.211 -4.147 12.483 1.00 0.00 H new ATOM 0 H1 G B 11 -3.780 2.083 14.008 1.00 0.00 H new ATOM 0 H21 G B 11 -7.268 2.000 13.880 1.00 0.00 H new ATOM 0 H22 G B 11 -5.810 2.959 14.158 1.00 0.00 H new ATOM 357 P G B 12 -7.667 -2.739 8.024 1.00 0.00 P ATOM 358 OP1 G B 12 -8.505 -3.183 6.889 1.00 0.00 O ATOM 359 OP2 G B 12 -6.206 -2.591 7.842 1.00 0.00 O ATOM 360 O5' G B 12 -8.251 -1.324 8.549 1.00 0.00 O ATOM 361 C5' G B 12 -9.647 -1.103 8.656 1.00 0.00 C ATOM 362 C4' G B 12 -9.914 0.360 9.040 1.00 0.00 C ATOM 363 O4' G B 12 -9.307 0.696 10.290 1.00 0.00 O ATOM 364 C3' G B 12 -9.334 1.326 8.022 1.00 0.00 C ATOM 365 O3' G B 12 -10.196 1.508 6.915 1.00 0.00 O ATOM 366 C2' G B 12 -9.239 2.583 8.852 1.00 0.00 C ATOM 367 O2' G B 12 -10.520 3.163 8.992 1.00 0.00 O ATOM 368 C1' G B 12 -8.804 2.041 10.203 1.00 0.00 C ATOM 369 N9 G B 12 -7.332 2.022 10.308 1.00 0.00 N ATOM 370 C8 G B 12 -6.493 0.946 10.266 1.00 0.00 C ATOM 371 N7 G B 12 -5.235 1.243 10.445 1.00 0.00 N ATOM 372 C5 G B 12 -5.240 2.624 10.617 1.00 0.00 C ATOM 373 C6 G B 12 -4.157 3.522 10.853 1.00 0.00 C ATOM 374 O6 G B 12 -2.962 3.261 10.967 1.00 0.00 O ATOM 375 N1 G B 12 -4.593 4.838 10.950 1.00 0.00 N ATOM 376 C2 G B 12 -5.907 5.243 10.853 1.00 0.00 C ATOM 377 N2 G B 12 -6.139 6.555 10.971 1.00 0.00 N ATOM 378 N3 G B 12 -6.928 4.403 10.643 1.00 0.00 N ATOM 379 C4 G B 12 -6.522 3.112 10.532 1.00 0.00 C ATOM 0 H5' G B 12 -10.074 -1.769 9.406 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.135 -1.335 7.709 1.00 0.00 H new ATOM 0 H4' G B 12 -10.999 0.450 9.091 1.00 0.00 H new ATOM 0 H3' G B 12 -8.394 0.997 7.579 1.00 0.00 H new ATOM 0 H2' G B 12 -8.577 3.338 8.427 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.112 2.823 8.289 1.00 0.00 H new ATOM 0 H1' G B 12 -9.188 2.669 11.007 1.00 0.00 H new ATOM 0 H8 G B 12 -6.840 -0.063 10.099 1.00 0.00 H new ATOM 0 H1 G B 12 -3.888 5.558 11.105 1.00 0.00 H new ATOM 0 H21 G B 12 -7.092 6.912 10.907 1.00 0.00 H new ATOM 0 H22 G B 12 -5.363 7.198 11.124 1.00 0.00 H new ATOM 391 P U B 13 -9.631 2.060 5.509 1.00 0.00 P ATOM 392 OP1 U B 13 -10.787 2.394 4.647 1.00 0.00 O ATOM 393 OP2 U B 13 -8.608 1.107 5.027 1.00 0.00 O ATOM 394 O5' U B 13 -8.882 3.431 5.901 1.00 0.00 O ATOM 395 C5' U B 13 -9.599 4.612 6.187 1.00 0.00 C ATOM 396 C4' U B 13 -8.614 5.758 6.467 1.00 0.00 C ATOM 397 O4' U B 13 -7.881 5.601 7.690 1.00 0.00 O ATOM 398 C3' U B 13 -7.583 5.908 5.380 1.00 0.00 C ATOM 399 O3' U B 13 -8.101 6.550 4.230 1.00 0.00 O ATOM 400 C2' U B 13 -6.589 6.770 6.113 1.00 0.00 C ATOM 401 O2' U B 13 -7.068 8.095 6.230 1.00 0.00 O ATOM 402 C1' U B 13 -6.557 6.133 7.479 1.00 0.00 C ATOM 403 N1 U B 13 -5.574 5.024 7.518 1.00 0.00 N ATOM 404 C2 U B 13 -4.251 5.313 7.836 1.00 0.00 C ATOM 405 O2 U B 13 -3.855 6.460 8.042 1.00 0.00 O ATOM 406 N3 U B 13 -3.393 4.227 7.912 1.00 0.00 N ATOM 407 C4 U B 13 -3.735 2.900 7.698 1.00 0.00 C ATOM 408 O4 U B 13 -2.892 2.013 7.793 1.00 0.00 O ATOM 409 C5 U B 13 -5.129 2.698 7.372 1.00 0.00 C ATOM 410 C6 U B 13 -5.982 3.746 7.296 1.00 0.00 C ATOM 0 H5' U B 13 -10.246 4.456 7.050 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.244 4.870 5.347 1.00 0.00 H new ATOM 0 H4' U B 13 -9.258 6.635 6.527 1.00 0.00 H new ATOM 0 H3' U B 13 -7.189 4.974 4.980 1.00 0.00 H new ATOM 0 H2' U B 13 -5.621 6.827 5.616 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.410 8.640 6.710 1.00 0.00 H new ATOM 0 H1' U B 13 -6.270 6.856 8.243 1.00 0.00 H new ATOM 0 H3 U B 13 -2.420 4.422 8.147 1.00 0.00 H new ATOM 0 H5 U B 13 -5.494 1.699 7.187 1.00 0.00 H new ATOM 0 H6 U B 13 -7.018 3.562 7.052 1.00 0.00 H new ATOM 421 P C B 14 -7.317 6.473 2.822 1.00 0.00 P ATOM 422 OP1 C B 14 -8.021 7.341 1.852 1.00 0.00 O ATOM 423 OP2 C B 14 -7.093 5.046 2.503 1.00 0.00 O ATOM 424 O5' C B 14 -5.892 7.138 3.150 1.00 0.00 O ATOM 425 C5' C B 14 -5.758 8.532 3.304 1.00 0.00 C ATOM 426 C4' C B 14 -4.318 8.860 3.702 1.00 0.00 C ATOM 427 O4' C B 14 -3.960 8.248 4.941 1.00 0.00 O ATOM 428 C3' C B 14 -3.308 8.346 2.698 1.00 0.00 C ATOM 429 O3' C B 14 -3.222 9.152 1.539 1.00 0.00 O ATOM 430 C2' C B 14 -2.062 8.437 3.537 1.00 0.00 C ATOM 431 O2' C B 14 -1.688 9.791 3.679 1.00 0.00 O ATOM 432 C1' C B 14 -2.560 7.931 4.886 1.00 0.00 C ATOM 433 N1 C B 14 -2.352 6.464 4.986 1.00 0.00 N ATOM 434 C2 C B 14 -1.063 6.031 5.258 1.00 0.00 C ATOM 435 O2 C B 14 -0.163 6.847 5.434 1.00 0.00 O ATOM 436 N3 C B 14 -0.830 4.691 5.322 1.00 0.00 N ATOM 437 C4 C B 14 -1.819 3.810 5.121 1.00 0.00 C ATOM 438 N4 C B 14 -1.542 2.504 5.184 1.00 0.00 N ATOM 439 C5 C B 14 -3.158 4.242 4.850 1.00 0.00 C ATOM 440 C6 C B 14 -3.376 5.574 4.799 1.00 0.00 C ATOM 0 H5' C B 14 -6.449 8.894 4.065 1.00 0.00 H new ATOM 0 H5'' C B 14 -6.015 9.039 2.374 1.00 0.00 H new ATOM 0 H4' C B 14 -4.292 9.948 3.763 1.00 0.00 H new ATOM 0 H3' C B 14 -3.533 7.361 2.290 1.00 0.00 H new ATOM 0 H2' C B 14 -1.210 7.894 3.127 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.036 10.307 2.922 1.00 0.00 H new ATOM 0 H1' C B 14 -2.021 8.393 5.713 1.00 0.00 H new ATOM 0 H41 C B 14 -2.282 1.818 5.034 1.00 0.00 H new ATOM 0 H42 C B 14 -0.591 2.193 5.382 1.00 0.00 H new ATOM 0 H5 C B 14 -3.958 3.534 4.693 1.00 0.00 H new ATOM 0 H6 C B 14 -4.373 5.943 4.608 1.00 0.00 H new ATOM 452 P U B 15 -2.513 8.593 0.197 1.00 0.00 P ATOM 453 OP1 U B 15 -2.551 9.666 -0.822 1.00 0.00 O ATOM 454 OP2 U B 15 -3.103 7.272 -0.109 1.00 0.00 O ATOM 455 O5' U B 15 -0.973 8.363 0.624 1.00 0.00 O ATOM 456 C5' U B 15 -0.074 9.448 0.727 1.00 0.00 C ATOM 457 C4' U B 15 1.329 8.926 1.045 1.00 0.00 C ATOM 458 O4' U B 15 1.362 8.184 2.269 1.00 0.00 O ATOM 459 C3' U B 15 1.833 7.961 -0.009 1.00 0.00 C ATOM 460 O3' U B 15 2.282 8.608 -1.184 1.00 0.00 O ATOM 461 C2' U B 15 2.967 7.329 0.749 1.00 0.00 C ATOM 462 O2' U B 15 4.061 8.222 0.816 1.00 0.00 O ATOM 463 C1' U B 15 2.383 7.174 2.143 1.00 0.00 C ATOM 464 N1 U B 15 1.816 5.809 2.320 1.00 0.00 N ATOM 465 C2 U B 15 2.717 4.774 2.537 1.00 0.00 C ATOM 466 O2 U B 15 3.931 4.960 2.574 1.00 0.00 O ATOM 467 N3 U B 15 2.175 3.513 2.712 1.00 0.00 N ATOM 468 C4 U B 15 0.829 3.195 2.685 1.00 0.00 C ATOM 469 O4 U B 15 0.461 2.032 2.840 1.00 0.00 O ATOM 470 C5 U B 15 -0.044 4.331 2.471 1.00 0.00 C ATOM 471 C6 U B 15 0.462 5.578 2.302 1.00 0.00 C ATOM 0 H5' U B 15 -0.403 10.133 1.508 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.060 10.011 -0.206 1.00 0.00 H new ATOM 0 H4' U B 15 1.947 9.822 1.098 1.00 0.00 H new ATOM 0 H3' U B 15 1.077 7.272 -0.386 1.00 0.00 H new ATOM 0 H2' U B 15 3.323 6.402 0.299 1.00 0.00 H new ATOM 0 HO2' U B 15 4.795 7.803 1.312 1.00 0.00 H new ATOM 0 H1' U B 15 3.145 7.298 2.912 1.00 0.00 H new ATOM 0 H3 U B 15 2.828 2.747 2.876 1.00 0.00 H new ATOM 0 H5 U B 15 -1.113 4.183 2.446 1.00 0.00 H new ATOM 0 H6 U B 15 -0.214 6.407 2.150 1.00 0.00 H new ATOM 482 P C B 16 2.633 7.753 -2.513 1.00 0.00 P ATOM 483 OP1 C B 16 3.074 8.696 -3.564 1.00 0.00 O ATOM 484 OP2 C B 16 1.499 6.840 -2.778 1.00 0.00 O ATOM 485 O5' C B 16 3.904 6.854 -2.083 1.00 0.00 O ATOM 486 C5' C B 16 5.195 7.418 -1.984 1.00 0.00 C ATOM 487 C4' C B 16 6.207 6.335 -1.590 1.00 0.00 C ATOM 488 O4' C B 16 5.880 5.728 -0.343 1.00 0.00 O ATOM 489 C3' C B 16 6.241 5.186 -2.573 1.00 0.00 C ATOM 490 O3' C B 16 6.935 5.503 -3.760 1.00 0.00 O ATOM 491 C2' C B 16 6.967 4.150 -1.765 1.00 0.00 C ATOM 492 O2' C B 16 8.349 4.446 -1.737 1.00 0.00 O ATOM 493 C1' C B 16 6.371 4.373 -0.374 1.00 0.00 C ATOM 494 N1 C B 16 5.262 3.407 -0.148 1.00 0.00 N ATOM 495 C2 C B 16 5.606 2.103 0.188 1.00 0.00 C ATOM 496 O2 C B 16 6.786 1.787 0.314 1.00 0.00 O ATOM 497 N3 C B 16 4.603 1.196 0.371 1.00 0.00 N ATOM 498 C4 C B 16 3.319 1.552 0.227 1.00 0.00 C ATOM 499 N4 C B 16 2.366 0.635 0.425 1.00 0.00 N ATOM 500 C5 C B 16 2.951 2.890 -0.127 1.00 0.00 C ATOM 501 C6 C B 16 3.955 3.775 -0.300 1.00 0.00 C ATOM 0 H5' C B 16 5.197 8.217 -1.243 1.00 0.00 H new ATOM 0 H5'' C B 16 5.480 7.866 -2.936 1.00 0.00 H new ATOM 0 H4' C B 16 7.160 6.862 -1.555 1.00 0.00 H new ATOM 0 H3' C B 16 5.257 4.882 -2.931 1.00 0.00 H new ATOM 0 H2' C B 16 6.866 3.133 -2.145 1.00 0.00 H new ATOM 0 HO2' C B 16 8.571 5.043 -2.482 1.00 0.00 H new ATOM 0 HO3' C B 16 6.929 4.728 -4.359 1.00 0.00 H new ATOM 0 H1' C B 16 7.113 4.219 0.410 1.00 0.00 H new ATOM 0 H41 C B 16 1.384 0.889 0.320 1.00 0.00 H new ATOM 0 H42 C B 16 2.621 -0.319 0.681 1.00 0.00 H new ATOM 0 H5 C B 16 1.917 3.178 -0.250 1.00 0.00 H new ATOM 0 H6 C B 16 3.720 4.796 -0.564 1.00 0.00 H new TER 514 C B 16