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= -0.212 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.378 USER MOD Single : A 3 A O2' : rot -32:sc= 0.142 USER MOD Single : A 4 U O2' : rot 180:sc= -0.216 USER MOD Single : A 5 G O2' : rot -15:sc= 0.196 USER MOD Single : A 6 U O2' : rot -16:sc= -0.441 USER MOD Single : A 7 C O2' : rot -17:sc= 0.11 USER MOD Single : A 8 C O2' : rot -36:sc= 0.13 USER MOD Single : A 8 C O3' : rot 180:sc= 0.147 USER MOD Single : B 9 G O2' : rot 180:sc= -0.216 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.354 USER MOD Single : B 11 A O2' : rot -26:sc= 0.157 USER MOD Single : B 12 U O2' : rot -125:sc= 0.183 USER MOD Single : B 13 G O2' : rot -9:sc= 0.118 USER MOD Single : B 14 U O2' : rot -15:sc= -0.422 USER MOD Single : B 15 C O2' : rot 180:sc= -0.28 USER MOD Single : B 16 C O2' : rot -29:sc= 0.135 USER MOD Single : B 16 C O3' : rot 180:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.145 -8.140 5.844 1.00 0.00 O ATOM 2 C5' G A 1 6.489 -8.552 5.971 1.00 0.00 C ATOM 3 C4' G A 1 7.424 -7.433 5.506 1.00 0.00 C ATOM 4 O4' G A 1 7.215 -7.117 4.131 1.00 0.00 O ATOM 5 C3' G A 1 7.195 -6.133 6.251 1.00 0.00 C ATOM 6 O3' G A 1 7.752 -6.144 7.553 1.00 0.00 O ATOM 7 C2' G A 1 7.913 -5.183 5.323 1.00 0.00 C ATOM 8 O2' G A 1 9.309 -5.336 5.466 1.00 0.00 O ATOM 9 C1' G A 1 7.495 -5.719 3.954 1.00 0.00 C ATOM 10 N9 G A 1 6.272 -5.016 3.509 1.00 0.00 N ATOM 11 C8 G A 1 4.975 -5.462 3.499 1.00 0.00 C ATOM 12 N7 G A 1 4.116 -4.583 3.063 1.00 0.00 N ATOM 13 C5 G A 1 4.897 -3.471 2.762 1.00 0.00 C ATOM 14 C6 G A 1 4.516 -2.195 2.252 1.00 0.00 C ATOM 15 O6 G A 1 3.391 -1.794 1.964 1.00 0.00 O ATOM 16 N1 G A 1 5.615 -1.359 2.089 1.00 0.00 N ATOM 17 C2 G A 1 6.919 -1.701 2.382 1.00 0.00 C ATOM 18 N2 G A 1 7.849 -0.765 2.166 1.00 0.00 N ATOM 19 N3 G A 1 7.280 -2.896 2.864 1.00 0.00 N ATOM 20 C4 G A 1 6.220 -3.729 3.029 1.00 0.00 C ATOM 0 H5' G A 1 6.660 -9.451 5.378 1.00 0.00 H new ATOM 0 H5'' G A 1 6.703 -8.809 7.008 1.00 0.00 H new ATOM 0 H4' G A 1 8.427 -7.817 5.692 1.00 0.00 H new ATOM 0 H3' G A 1 6.150 -5.891 6.442 1.00 0.00 H new ATOM 0 H2' G A 1 7.681 -4.132 5.497 1.00 0.00 H new ATOM 0 HO2' G A 1 9.770 -4.718 4.861 1.00 0.00 H new ATOM 0 HO5' G A 1 4.552 -8.861 6.142 1.00 0.00 H new ATOM 0 H1' G A 1 8.274 -5.566 3.207 1.00 0.00 H new ATOM 0 H8 G A 1 4.691 -6.452 3.823 1.00 0.00 H new ATOM 0 H1 G A 1 5.444 -0.422 1.725 1.00 0.00 H new ATOM 0 H21 G A 1 8.829 -0.964 2.365 1.00 0.00 H new ATOM 0 H22 G A 1 7.578 0.148 1.802 1.00 0.00 H new ATOM 33 P G A 2 7.371 -4.994 8.626 1.00 0.00 P ATOM 34 OP1 G A 2 8.084 -5.290 9.888 1.00 0.00 O ATOM 35 OP2 G A 2 5.898 -4.850 8.633 1.00 0.00 O ATOM 36 O5' G A 2 8.000 -3.649 7.999 1.00 0.00 O ATOM 37 C5' G A 2 9.392 -3.419 8.028 1.00 0.00 C ATOM 38 C4' G A 2 9.709 -2.092 7.333 1.00 0.00 C ATOM 39 O4' G A 2 9.214 -2.076 5.990 1.00 0.00 O ATOM 40 C3' G A 2 9.061 -0.899 8.011 1.00 0.00 C ATOM 41 O3' G A 2 9.748 -0.488 9.179 1.00 0.00 O ATOM 42 C2' G A 2 9.172 0.116 6.896 1.00 0.00 C ATOM 43 O2' G A 2 10.509 0.551 6.757 1.00 0.00 O ATOM 44 C1' G A 2 8.799 -0.732 5.686 1.00 0.00 C ATOM 45 N9 G A 2 7.330 -0.683 5.497 1.00 0.00 N ATOM 46 C8 G A 2 6.385 -1.627 5.810 1.00 0.00 C ATOM 47 N7 G A 2 5.164 -1.269 5.530 1.00 0.00 N ATOM 48 C5 G A 2 5.302 0.008 5.000 1.00 0.00 C ATOM 49 C6 G A 2 4.308 0.911 4.523 1.00 0.00 C ATOM 50 O6 G A 2 3.092 0.743 4.465 1.00 0.00 O ATOM 51 N1 G A 2 4.867 2.107 4.089 1.00 0.00 N ATOM 52 C2 G A 2 6.214 2.399 4.102 1.00 0.00 C ATOM 53 N2 G A 2 6.571 3.605 3.646 1.00 0.00 N ATOM 54 N3 G A 2 7.151 1.553 4.544 1.00 0.00 N ATOM 55 C4 G A 2 6.625 0.379 4.979 1.00 0.00 C ATOM 0 H5' G A 2 9.916 -4.235 7.531 1.00 0.00 H new ATOM 0 H5'' G A 2 9.745 -3.394 9.059 1.00 0.00 H new ATOM 0 H4' G A 2 10.795 -2.015 7.375 1.00 0.00 H new ATOM 0 H3' G A 2 8.051 -1.079 8.379 1.00 0.00 H new ATOM 0 H2' G A 2 8.563 1.008 7.046 1.00 0.00 H new ATOM 0 HO2' G A 2 10.566 1.206 6.031 1.00 0.00 H new ATOM 0 H1' G A 2 9.275 -0.374 4.773 1.00 0.00 H new ATOM 0 H8 G A 2 6.631 -2.582 6.250 1.00 0.00 H new ATOM 0 H1 G A 2 4.233 2.823 3.734 1.00 0.00 H new ATOM 0 H21 G A 2 7.555 3.875 3.633 1.00 0.00 H new ATOM 0 H22 G A 2 5.859 4.255 3.312 1.00 0.00 H new ATOM 67 P A A 3 9.039 0.491 10.261 1.00 0.00 P ATOM 68 OP1 A A 3 10.014 0.760 11.341 1.00 0.00 O ATOM 69 OP2 A A 3 7.717 -0.084 10.595 1.00 0.00 O ATOM 70 O5' A A 3 8.792 1.867 9.455 1.00 0.00 O ATOM 71 C5' A A 3 9.873 2.703 9.103 1.00 0.00 C ATOM 72 C4' A A 3 9.363 3.914 8.317 1.00 0.00 C ATOM 73 O4' A A 3 8.628 3.511 7.159 1.00 0.00 O ATOM 74 C3' A A 3 8.410 4.795 9.100 1.00 0.00 C ATOM 75 O3' A A 3 9.085 5.665 9.985 1.00 0.00 O ATOM 76 C2' A A 3 7.734 5.554 7.992 1.00 0.00 C ATOM 77 O2' A A 3 8.592 6.569 7.510 1.00 0.00 O ATOM 78 C1' A A 3 7.583 4.474 6.928 1.00 0.00 C ATOM 79 N9 A A 3 6.256 3.824 7.056 1.00 0.00 N ATOM 80 C8 A A 3 5.947 2.556 7.481 1.00 0.00 C ATOM 81 N7 A A 3 4.676 2.270 7.419 1.00 0.00 N ATOM 82 C5 A A 3 4.097 3.436 6.935 1.00 0.00 C ATOM 83 C6 A A 3 2.766 3.790 6.649 1.00 0.00 C ATOM 84 N6 A A 3 1.734 2.951 6.803 1.00 0.00 N ATOM 85 N1 A A 3 2.533 5.041 6.211 1.00 0.00 N ATOM 86 C2 A A 3 3.559 5.873 6.058 1.00 0.00 C ATOM 87 N3 A A 3 4.850 5.657 6.277 1.00 0.00 N ATOM 88 C4 A A 3 5.050 4.395 6.724 1.00 0.00 C ATOM 0 H5' A A 3 10.593 2.147 8.503 1.00 0.00 H new ATOM 0 H5'' A A 3 10.394 3.035 10.001 1.00 0.00 H new ATOM 0 H4' A A 3 10.271 4.465 8.071 1.00 0.00 H new ATOM 0 H3' A A 3 7.732 4.238 9.747 1.00 0.00 H new ATOM 0 H2' A A 3 6.802 6.037 8.286 1.00 0.00 H new ATOM 0 HO2' A A 3 9.153 6.898 8.243 1.00 0.00 H new ATOM 0 H1' A A 3 7.657 4.896 5.926 1.00 0.00 H new ATOM 0 H8 A A 3 6.690 1.857 7.835 1.00 0.00 H new ATOM 0 H61 A A 3 0.788 3.260 6.580 1.00 0.00 H new ATOM 0 H62 A A 3 1.894 2.003 7.143 1.00 0.00 H new ATOM 0 H2 A A 3 3.306 6.862 5.707 1.00 0.00 H new ATOM 100 P U A 4 8.697 5.713 11.541 1.00 0.00 P ATOM 101 OP1 U A 4 9.674 6.572 12.245 1.00 0.00 O ATOM 102 OP2 U A 4 8.449 4.332 12.009 1.00 0.00 O ATOM 103 O5' U A 4 7.293 6.493 11.466 1.00 0.00 O ATOM 104 C5' U A 4 7.255 7.860 11.108 1.00 0.00 C ATOM 105 C4' U A 4 5.815 8.289 10.825 1.00 0.00 C ATOM 106 O4' U A 4 5.284 7.582 9.707 1.00 0.00 O ATOM 107 C3' U A 4 4.873 7.994 11.972 1.00 0.00 C ATOM 108 O3' U A 4 4.983 8.948 13.012 1.00 0.00 O ATOM 109 C2' U A 4 3.545 8.075 11.256 1.00 0.00 C ATOM 110 O2' U A 4 3.193 9.427 11.051 1.00 0.00 O ATOM 111 C1' U A 4 3.869 7.447 9.898 1.00 0.00 C ATOM 112 N1 U A 4 3.481 6.015 9.891 1.00 0.00 N ATOM 113 C2 U A 4 2.148 5.726 9.649 1.00 0.00 C ATOM 114 O2 U A 4 1.320 6.610 9.440 1.00 0.00 O ATOM 115 N3 U A 4 1.795 4.386 9.654 1.00 0.00 N ATOM 116 C4 U A 4 2.653 3.323 9.887 1.00 0.00 C ATOM 117 O4 U A 4 2.233 2.169 9.881 1.00 0.00 O ATOM 118 C5 U A 4 4.030 3.713 10.115 1.00 0.00 C ATOM 119 C6 U A 4 4.397 5.016 10.108 1.00 0.00 C ATOM 0 H5' U A 4 7.873 8.030 10.227 1.00 0.00 H new ATOM 0 H5'' U A 4 7.672 8.466 11.912 1.00 0.00 H new ATOM 0 H4' U A 4 5.874 9.363 10.650 1.00 0.00 H new ATOM 0 H3' U A 4 5.056 7.048 12.482 1.00 0.00 H new ATOM 0 H2' U A 4 2.729 7.596 11.798 1.00 0.00 H new ATOM 0 HO2' U A 4 2.332 9.474 10.586 1.00 0.00 H new ATOM 0 H1' U A 4 3.319 7.940 9.096 1.00 0.00 H new ATOM 0 H3 U A 4 0.817 4.162 9.470 1.00 0.00 H new ATOM 0 H5 U A 4 4.775 2.952 10.293 1.00 0.00 H new ATOM 0 H6 U A 4 5.432 5.275 10.277 1.00 0.00 H new ATOM 130 P G A 5 4.227 8.728 14.421 1.00 0.00 P ATOM 131 OP1 G A 5 4.621 9.826 15.332 1.00 0.00 O ATOM 132 OP2 G A 5 4.432 7.322 14.833 1.00 0.00 O ATOM 133 O5' G A 5 2.671 8.919 14.052 1.00 0.00 O ATOM 134 C5' G A 5 2.125 10.207 13.840 1.00 0.00 C ATOM 135 C4' G A 5 0.636 10.074 13.513 1.00 0.00 C ATOM 136 O4' G A 5 0.434 9.294 12.340 1.00 0.00 O ATOM 137 C3' G A 5 -0.118 9.335 14.598 1.00 0.00 C ATOM 138 O3' G A 5 -0.400 10.157 15.722 1.00 0.00 O ATOM 139 C2' G A 5 -1.369 8.953 13.848 1.00 0.00 C ATOM 140 O2' G A 5 -2.270 10.039 13.842 1.00 0.00 O ATOM 141 C1' G A 5 -0.874 8.720 12.426 1.00 0.00 C ATOM 142 N9 G A 5 -0.831 7.272 12.158 1.00 0.00 N ATOM 143 C8 G A 5 0.226 6.412 12.249 1.00 0.00 C ATOM 144 N7 G A 5 -0.070 5.172 11.968 1.00 0.00 N ATOM 145 C5 G A 5 -1.430 5.212 11.675 1.00 0.00 C ATOM 146 C6 G A 5 -2.326 4.164 11.304 1.00 0.00 C ATOM 147 O6 G A 5 -2.088 2.969 11.133 1.00 0.00 O ATOM 148 N1 G A 5 -3.615 4.638 11.131 1.00 0.00 N ATOM 149 C2 G A 5 -4.009 5.948 11.275 1.00 0.00 C ATOM 150 N2 G A 5 -5.301 6.211 11.054 1.00 0.00 N ATOM 151 N3 G A 5 -3.176 6.936 11.613 1.00 0.00 N ATOM 152 C4 G A 5 -1.905 6.496 11.799 1.00 0.00 C ATOM 0 H5' G A 5 2.646 10.706 13.023 1.00 0.00 H new ATOM 0 H5'' G A 5 2.261 10.824 14.728 1.00 0.00 H new ATOM 0 H4' G A 5 0.277 11.097 13.399 1.00 0.00 H new ATOM 0 H3' G A 5 0.428 8.498 15.033 1.00 0.00 H new ATOM 0 H2' G A 5 -1.879 8.093 14.283 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.997 10.694 14.518 1.00 0.00 H new ATOM 0 H1' G A 5 -1.534 9.177 11.689 1.00 0.00 H new ATOM 0 H8 G A 5 1.220 6.730 12.529 1.00 0.00 H new ATOM 0 H1 G A 5 -4.332 3.959 10.875 1.00 0.00 H new ATOM 0 H21 G A 5 -5.650 7.165 11.146 1.00 0.00 H new ATOM 0 H22 G A 5 -5.937 5.458 10.793 1.00 0.00 H new ATOM 164 P U A 6 -0.859 9.510 17.136 1.00 0.00 P ATOM 165 OP1 U A 6 -0.971 10.606 18.125 1.00 0.00 O ATOM 166 OP2 U A 6 0.029 8.361 17.415 1.00 0.00 O ATOM 167 O5' U A 6 -2.345 8.934 16.863 1.00 0.00 O ATOM 168 C5' U A 6 -3.490 9.758 16.984 1.00 0.00 C ATOM 169 C4' U A 6 -4.761 8.924 16.753 1.00 0.00 C ATOM 170 O4' U A 6 -4.789 8.347 15.440 1.00 0.00 O ATOM 171 C3' U A 6 -4.873 7.744 17.704 1.00 0.00 C ATOM 172 O3' U A 6 -5.332 8.096 18.993 1.00 0.00 O ATOM 173 C2' U A 6 -5.895 6.917 16.971 1.00 0.00 C ATOM 174 O2' U A 6 -7.176 7.498 17.107 1.00 0.00 O ATOM 175 C1' U A 6 -5.448 7.065 15.530 1.00 0.00 C ATOM 176 N1 U A 6 -4.510 5.974 15.160 1.00 0.00 N ATOM 177 C2 U A 6 -5.050 4.818 14.613 1.00 0.00 C ATOM 178 O2 U A 6 -6.260 4.663 14.467 1.00 0.00 O ATOM 179 N3 U A 6 -4.146 3.839 14.238 1.00 0.00 N ATOM 180 C4 U A 6 -2.769 3.910 14.363 1.00 0.00 C ATOM 181 O4 U A 6 -2.061 2.967 14.021 1.00 0.00 O ATOM 182 C5 U A 6 -2.292 5.157 14.919 1.00 0.00 C ATOM 183 C6 U A 6 -3.157 6.124 15.299 1.00 0.00 C ATOM 0 H5' U A 6 -3.442 10.571 16.260 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.518 10.213 17.974 1.00 0.00 H new ATOM 0 H4' U A 6 -5.576 9.631 16.908 1.00 0.00 H new ATOM 0 H3' U A 6 -3.920 7.256 17.909 1.00 0.00 H new ATOM 0 H2' U A 6 -5.960 5.889 17.328 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.166 8.144 17.844 1.00 0.00 H new ATOM 0 H1' U A 6 -6.295 7.006 14.847 1.00 0.00 H new ATOM 0 H3 U A 6 -4.530 2.986 13.832 1.00 0.00 H new ATOM 0 H5 U A 6 -1.230 5.318 15.032 1.00 0.00 H new ATOM 0 H6 U A 6 -2.770 7.039 15.723 1.00 0.00 H new ATOM 194 P C A 7 -5.228 7.042 20.218 1.00 0.00 P ATOM 195 OP1 C A 7 -5.895 7.640 21.396 1.00 0.00 O ATOM 196 OP2 C A 7 -3.817 6.607 20.319 1.00 0.00 O ATOM 197 O5' C A 7 -6.106 5.771 19.733 1.00 0.00 O ATOM 198 C5' C A 7 -7.520 5.801 19.772 1.00 0.00 C ATOM 199 C4' C A 7 -8.090 4.454 19.305 1.00 0.00 C ATOM 200 O4' C A 7 -7.705 4.135 17.962 1.00 0.00 O ATOM 201 C3' C A 7 -7.586 3.292 20.134 1.00 0.00 C ATOM 202 O3' C A 7 -8.213 3.215 21.402 1.00 0.00 O ATOM 203 C2' C A 7 -7.987 2.147 19.235 1.00 0.00 C ATOM 204 O2' C A 7 -9.382 1.953 19.322 1.00 0.00 O ATOM 205 C1' C A 7 -7.664 2.696 17.845 1.00 0.00 C ATOM 206 N1 C A 7 -6.319 2.231 17.408 1.00 0.00 N ATOM 207 C2 C A 7 -6.201 0.903 17.007 1.00 0.00 C ATOM 208 O2 C A 7 -7.183 0.163 17.013 1.00 0.00 O ATOM 209 N3 C A 7 -4.978 0.451 16.613 1.00 0.00 N ATOM 210 C4 C A 7 -3.912 1.263 16.614 1.00 0.00 C ATOM 211 N4 C A 7 -2.731 0.782 16.216 1.00 0.00 N ATOM 212 C5 C A 7 -4.018 2.632 17.018 1.00 0.00 C ATOM 213 C6 C A 7 -5.237 3.070 17.397 1.00 0.00 C ATOM 0 H5' C A 7 -7.892 6.603 19.134 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.859 6.016 20.785 1.00 0.00 H new ATOM 0 H4' C A 7 -9.169 4.579 19.400 1.00 0.00 H new ATOM 0 H3' C A 7 -6.527 3.338 20.386 1.00 0.00 H new ATOM 0 H2' C A 7 -7.495 1.205 19.477 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.724 2.396 20.127 1.00 0.00 H new ATOM 0 H1' C A 7 -8.376 2.347 17.097 1.00 0.00 H new ATOM 0 H41 C A 7 -1.910 1.387 16.211 1.00 0.00 H new ATOM 0 H42 C A 7 -2.651 -0.190 15.917 1.00 0.00 H new ATOM 0 H5 C A 7 -3.159 3.287 17.019 1.00 0.00 H new ATOM 0 H6 C A 7 -5.361 4.100 17.697 1.00 0.00 H new ATOM 225 P C A 8 -7.598 2.285 22.573 1.00 0.00 P ATOM 226 OP1 C A 8 -8.457 2.425 23.770 1.00 0.00 O ATOM 227 OP2 C A 8 -6.151 2.578 22.671 1.00 0.00 O ATOM 228 O5' C A 8 -7.762 0.781 22.014 1.00 0.00 O ATOM 229 C5' C A 8 -8.993 0.093 22.113 1.00 0.00 C ATOM 230 C4' C A 8 -8.824 -1.327 21.567 1.00 0.00 C ATOM 231 O4' C A 8 -8.419 -1.322 20.204 1.00 0.00 O ATOM 232 C3' C A 8 -7.726 -2.083 22.280 1.00 0.00 C ATOM 233 O3' C A 8 -8.117 -2.549 23.553 1.00 0.00 O ATOM 234 C2' C A 8 -7.482 -3.209 21.325 1.00 0.00 C ATOM 235 O2' C A 8 -8.485 -4.194 21.471 1.00 0.00 O ATOM 236 C1' C A 8 -7.639 -2.510 19.980 1.00 0.00 C ATOM 237 N1 C A 8 -6.290 -2.168 19.474 1.00 0.00 N ATOM 238 C2 C A 8 -5.583 -3.164 18.805 1.00 0.00 C ATOM 239 O2 C A 8 -6.114 -4.246 18.564 1.00 0.00 O ATOM 240 N3 C A 8 -4.297 -2.907 18.437 1.00 0.00 N ATOM 241 C4 C A 8 -3.724 -1.730 18.723 1.00 0.00 C ATOM 242 N4 C A 8 -2.460 -1.519 18.343 1.00 0.00 N ATOM 243 C5 C A 8 -4.435 -0.707 19.428 1.00 0.00 C ATOM 244 C6 C A 8 -5.708 -0.970 19.775 1.00 0.00 C ATOM 0 H5' C A 8 -9.764 0.621 21.552 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.321 0.059 23.152 1.00 0.00 H new ATOM 0 H4' C A 8 -9.799 -1.794 21.708 1.00 0.00 H new ATOM 0 H3' C A 8 -6.848 -1.474 22.497 1.00 0.00 H new ATOM 0 H2' C A 8 -6.526 -3.713 21.463 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.733 -4.271 22.416 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.372 -3.031 23.968 1.00 0.00 H new ATOM 0 H1' C A 8 -8.137 -3.141 19.244 1.00 0.00 H new ATOM 0 H41 C A 8 -2.006 -0.629 18.552 1.00 0.00 H new ATOM 0 H42 C A 8 -1.949 -2.248 17.845 1.00 0.00 H new ATOM 0 H5 C A 8 -3.969 0.236 19.671 1.00 0.00 H new ATOM 0 H6 C A 8 -6.280 -0.220 20.301 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.622 -9.439 13.481 1.00 0.00 O ATOM 259 C5' G B 9 1.980 -10.694 13.412 1.00 0.00 C ATOM 260 C4' G B 9 0.547 -10.577 13.934 1.00 0.00 C ATOM 261 O4' G B 9 0.519 -10.159 15.297 1.00 0.00 O ATOM 262 C3' G B 9 -0.266 -9.537 13.192 1.00 0.00 C ATOM 263 O3' G B 9 -0.680 -9.975 11.911 1.00 0.00 O ATOM 264 C2' G B 9 -1.422 -9.393 14.154 1.00 0.00 C ATOM 265 O2' G B 9 -2.272 -10.515 14.050 1.00 0.00 O ATOM 266 C1' G B 9 -0.708 -9.440 15.506 1.00 0.00 C ATOM 267 N9 G B 9 -0.416 -8.061 15.953 1.00 0.00 N ATOM 268 C8 G B 9 0.776 -7.383 15.945 1.00 0.00 C ATOM 269 N7 G B 9 0.694 -6.161 16.391 1.00 0.00 N ATOM 270 C5 G B 9 -0.650 -6.014 16.721 1.00 0.00 C ATOM 271 C6 G B 9 -1.345 -4.888 17.254 1.00 0.00 C ATOM 272 O6 G B 9 -0.895 -3.781 17.541 1.00 0.00 O ATOM 273 N1 G B 9 -2.695 -5.161 17.443 1.00 0.00 N ATOM 274 C2 G B 9 -3.306 -6.363 17.153 1.00 0.00 C ATOM 275 N2 G B 9 -4.619 -6.444 17.396 1.00 0.00 N ATOM 276 N3 G B 9 -2.659 -7.420 16.649 1.00 0.00 N ATOM 277 C4 G B 9 -1.337 -7.175 16.459 1.00 0.00 C ATOM 0 H5' G B 9 2.532 -11.427 14.001 1.00 0.00 H new ATOM 0 H5'' G B 9 1.973 -11.052 12.383 1.00 0.00 H new ATOM 0 H4' G B 9 0.127 -11.574 13.797 1.00 0.00 H new ATOM 0 H3' G B 9 0.267 -8.614 12.965 1.00 0.00 H new ATOM 0 H2' G B 9 -2.030 -8.504 13.987 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.020 -10.418 14.676 1.00 0.00 H new ATOM 0 HO5' G B 9 3.539 -9.522 13.147 1.00 0.00 H new ATOM 0 H1' G B 9 -1.320 -9.925 16.267 1.00 0.00 H new ATOM 0 H8 G B 9 1.700 -7.822 15.600 1.00 0.00 H new ATOM 0 H1 G B 9 -3.278 -4.416 17.825 1.00 0.00 H new ATOM 0 H21 G B 9 -5.121 -7.310 17.200 1.00 0.00 H new ATOM 0 H22 G B 9 -5.118 -5.640 17.777 1.00 0.00 H new ATOM 290 P G B 10 -1.303 -8.934 10.841 1.00 0.00 P ATOM 291 OP1 G B 10 -1.604 -9.678 9.598 1.00 0.00 O ATOM 292 OP2 G B 10 -0.415 -7.751 10.790 1.00 0.00 O ATOM 293 O5' G B 10 -2.700 -8.481 11.504 1.00 0.00 O ATOM 294 C5' G B 10 -3.814 -9.348 11.513 1.00 0.00 C ATOM 295 C4' G B 10 -4.985 -8.671 12.228 1.00 0.00 C ATOM 296 O4' G B 10 -4.631 -8.286 13.559 1.00 0.00 O ATOM 297 C3' G B 10 -5.428 -7.388 11.552 1.00 0.00 C ATOM 298 O3' G B 10 -6.202 -7.613 10.387 1.00 0.00 O ATOM 299 C2' G B 10 -6.244 -6.792 12.675 1.00 0.00 C ATOM 300 O2' G B 10 -7.456 -7.501 12.823 1.00 0.00 O ATOM 301 C1' G B 10 -5.353 -7.084 13.876 1.00 0.00 C ATOM 302 N9 G B 10 -4.408 -5.958 14.061 1.00 0.00 N ATOM 303 C8 G B 10 -3.081 -5.878 13.723 1.00 0.00 C ATOM 304 N7 G B 10 -2.529 -4.732 14.005 1.00 0.00 N ATOM 305 C5 G B 10 -3.564 -3.990 14.564 1.00 0.00 C ATOM 306 C6 G B 10 -3.567 -2.653 15.057 1.00 0.00 C ATOM 307 O6 G B 10 -2.632 -1.859 15.107 1.00 0.00 O ATOM 308 N1 G B 10 -4.824 -2.280 15.518 1.00 0.00 N ATOM 309 C2 G B 10 -5.939 -3.090 15.516 1.00 0.00 C ATOM 310 N2 G B 10 -7.068 -2.559 15.998 1.00 0.00 N ATOM 311 N3 G B 10 -5.940 -4.348 15.059 1.00 0.00 N ATOM 312 C4 G B 10 -4.721 -4.731 14.598 1.00 0.00 C ATOM 0 H5' G B 10 -3.558 -10.281 12.016 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.097 -9.604 10.492 1.00 0.00 H new ATOM 0 H4' G B 10 -5.782 -9.415 12.209 1.00 0.00 H new ATOM 0 H3' G B 10 -4.616 -6.764 11.177 1.00 0.00 H new ATOM 0 H2' G B 10 -6.501 -5.743 12.531 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.977 -7.109 13.554 1.00 0.00 H new ATOM 0 H1' G B 10 -5.929 -7.204 14.793 1.00 0.00 H new ATOM 0 H8 G B 10 -2.541 -6.693 13.264 1.00 0.00 H new ATOM 0 H1 G B 10 -4.929 -1.335 15.886 1.00 0.00 H new ATOM 0 H21 G B 10 -7.924 -3.114 16.020 1.00 0.00 H new ATOM 0 H22 G B 10 -7.073 -1.599 16.343 1.00 0.00 H new ATOM 324 P A B 11 -6.461 -6.423 9.316 1.00 0.00 P ATOM 325 OP1 A B 11 -7.319 -6.959 8.237 1.00 0.00 O ATOM 326 OP2 A B 11 -5.151 -5.823 8.980 1.00 0.00 O ATOM 327 O5' A B 11 -7.314 -5.326 10.137 1.00 0.00 O ATOM 328 C5' A B 11 -8.655 -5.575 10.497 1.00 0.00 C ATOM 329 C4' A B 11 -9.209 -4.392 11.296 1.00 0.00 C ATOM 330 O4' A B 11 -8.409 -4.125 12.450 1.00 0.00 O ATOM 331 C3' A B 11 -9.231 -3.088 10.522 1.00 0.00 C ATOM 332 O3' A B 11 -10.337 -3.001 9.646 1.00 0.00 O ATOM 333 C2' A B 11 -9.336 -2.086 11.639 1.00 0.00 C ATOM 334 O2' A B 11 -10.661 -2.047 12.130 1.00 0.00 O ATOM 335 C1' A B 11 -8.426 -2.706 12.694 1.00 0.00 C ATOM 336 N9 A B 11 -7.057 -2.150 12.564 1.00 0.00 N ATOM 337 C8 A B 11 -5.909 -2.760 12.122 1.00 0.00 C ATOM 338 N7 A B 11 -4.849 -2.004 12.182 1.00 0.00 N ATOM 339 C5 A B 11 -5.327 -0.799 12.682 1.00 0.00 C ATOM 340 C6 A B 11 -4.701 0.426 12.973 1.00 0.00 C ATOM 341 N6 A B 11 -3.390 0.638 12.807 1.00 0.00 N ATOM 342 N1 A B 11 -5.474 1.429 13.427 1.00 0.00 N ATOM 343 C2 A B 11 -6.778 1.217 13.591 1.00 0.00 C ATOM 344 N3 A B 11 -7.478 0.113 13.369 1.00 0.00 N ATOM 345 C4 A B 11 -6.675 -0.873 12.905 1.00 0.00 C ATOM 0 H5' A B 11 -8.718 -6.487 11.091 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.257 -5.735 9.602 1.00 0.00 H new ATOM 0 H4' A B 11 -10.224 -4.699 11.548 1.00 0.00 H new ATOM 0 H3' A B 11 -8.368 -2.952 9.870 1.00 0.00 H new ATOM 0 H2' A B 11 -9.072 -1.069 11.350 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.280 -2.331 11.425 1.00 0.00 H new ATOM 0 H1' A B 11 -8.784 -2.490 13.700 1.00 0.00 H new ATOM 0 H8 A B 11 -5.886 -3.776 11.757 1.00 0.00 H new ATOM 0 H61 A B 11 -2.988 1.547 13.034 1.00 0.00 H new ATOM 0 H62 A B 11 -2.793 -0.110 12.453 1.00 0.00 H new ATOM 0 H2 A B 11 -7.344 2.061 13.955 1.00 0.00 H new ATOM 357 P U B 12 -10.124 -2.675 8.089 1.00 0.00 P ATOM 358 OP1 U B 12 -11.423 -2.818 7.395 1.00 0.00 O ATOM 359 OP2 U B 12 -8.939 -3.417 7.609 1.00 0.00 O ATOM 360 O5' U B 12 -9.757 -1.111 8.167 1.00 0.00 O ATOM 361 C5' U B 12 -10.742 -0.164 8.531 1.00 0.00 C ATOM 362 C4' U B 12 -10.087 1.185 8.824 1.00 0.00 C ATOM 363 O4' U B 12 -9.201 1.087 9.936 1.00 0.00 O ATOM 364 C3' U B 12 -9.239 1.696 7.679 1.00 0.00 C ATOM 365 O3' U B 12 -10.022 2.259 6.640 1.00 0.00 O ATOM 366 C2' U B 12 -8.418 2.732 8.410 1.00 0.00 C ATOM 367 O2' U B 12 -9.206 3.874 8.650 1.00 0.00 O ATOM 368 C1' U B 12 -8.152 2.047 9.751 1.00 0.00 C ATOM 369 N1 U B 12 -6.831 1.374 9.731 1.00 0.00 N ATOM 370 C2 U B 12 -5.721 2.168 9.960 1.00 0.00 C ATOM 371 O2 U B 12 -5.820 3.375 10.166 1.00 0.00 O ATOM 372 N3 U B 12 -4.490 1.530 9.946 1.00 0.00 N ATOM 373 C4 U B 12 -4.281 0.180 9.713 1.00 0.00 C ATOM 374 O4 U B 12 -3.143 -0.284 9.710 1.00 0.00 O ATOM 375 C5 U B 12 -5.496 -0.579 9.495 1.00 0.00 C ATOM 376 C6 U B 12 -6.708 0.024 9.513 1.00 0.00 C ATOM 0 H5' U B 12 -11.286 -0.512 9.409 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.470 -0.057 7.727 1.00 0.00 H new ATOM 0 H4' U B 12 -10.919 1.864 9.010 1.00 0.00 H new ATOM 0 H3' U B 12 -8.657 0.934 7.160 1.00 0.00 H new ATOM 0 H2' U B 12 -7.525 3.042 7.868 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.753 4.665 8.290 1.00 0.00 H new ATOM 0 H1' U B 12 -8.136 2.770 10.566 1.00 0.00 H new ATOM 0 H3 U B 12 -3.666 2.105 10.123 1.00 0.00 H new ATOM 0 H5 U B 12 -5.434 -1.642 9.315 1.00 0.00 H new ATOM 0 H6 U B 12 -7.596 -0.569 9.353 1.00 0.00 H new ATOM 387 P G B 13 -9.354 2.672 5.228 1.00 0.00 P ATOM 388 OP1 G B 13 -10.439 3.068 4.303 1.00 0.00 O ATOM 389 OP2 G B 13 -8.413 1.599 4.839 1.00 0.00 O ATOM 390 O5' G B 13 -8.494 3.988 5.580 1.00 0.00 O ATOM 391 C5' G B 13 -9.109 5.260 5.676 1.00 0.00 C ATOM 392 C4' G B 13 -8.047 6.300 6.037 1.00 0.00 C ATOM 393 O4' G B 13 -7.363 5.946 7.234 1.00 0.00 O ATOM 394 C3' G B 13 -6.963 6.383 4.984 1.00 0.00 C ATOM 395 O3' G B 13 -7.367 7.138 3.853 1.00 0.00 O ATOM 396 C2' G B 13 -5.873 7.076 5.765 1.00 0.00 C ATOM 397 O2' G B 13 -6.090 8.472 5.757 1.00 0.00 O ATOM 398 C1' G B 13 -6.065 6.550 7.182 1.00 0.00 C ATOM 399 N9 G B 13 -5.007 5.566 7.478 1.00 0.00 N ATOM 400 C8 G B 13 -5.047 4.204 7.382 1.00 0.00 C ATOM 401 N7 G B 13 -3.920 3.615 7.678 1.00 0.00 N ATOM 402 C5 G B 13 -3.065 4.669 7.987 1.00 0.00 C ATOM 403 C6 G B 13 -1.690 4.658 8.375 1.00 0.00 C ATOM 404 O6 G B 13 -0.944 3.695 8.542 1.00 0.00 O ATOM 405 N1 G B 13 -1.208 5.943 8.569 1.00 0.00 N ATOM 406 C2 G B 13 -1.940 7.098 8.421 1.00 0.00 C ATOM 407 N2 G B 13 -1.297 8.247 8.659 1.00 0.00 N ATOM 408 N3 G B 13 -3.226 7.116 8.062 1.00 0.00 N ATOM 409 C4 G B 13 -3.723 5.869 7.861 1.00 0.00 C ATOM 0 H5' G B 13 -9.893 5.243 6.434 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.585 5.520 4.731 1.00 0.00 H new ATOM 0 H4' G B 13 -8.588 7.241 6.135 1.00 0.00 H new ATOM 0 H3' G B 13 -6.677 5.422 4.557 1.00 0.00 H new ATOM 0 H2' G B 13 -4.877 6.893 5.361 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.812 8.687 5.131 1.00 0.00 H new ATOM 0 H1' G B 13 -5.998 7.346 7.924 1.00 0.00 H new ATOM 0 H8 G B 13 -5.933 3.662 7.087 1.00 0.00 H new ATOM 0 H1 G B 13 -0.231 6.040 8.844 1.00 0.00 H new ATOM 0 H21 G B 13 -1.789 9.136 8.565 1.00 0.00 H new ATOM 0 H22 G B 13 -0.315 8.234 8.934 1.00 0.00 H new ATOM 421 P U B 14 -6.530 7.078 2.469 1.00 0.00 P ATOM 422 OP1 U B 14 -7.232 7.920 1.474 1.00 0.00 O ATOM 423 OP2 U B 14 -6.267 5.654 2.165 1.00 0.00 O ATOM 424 O5' U B 14 -5.116 7.782 2.809 1.00 0.00 O ATOM 425 C5' U B 14 -4.976 9.190 2.814 1.00 0.00 C ATOM 426 C4' U B 14 -3.503 9.566 3.054 1.00 0.00 C ATOM 427 O4' U B 14 -3.051 9.150 4.349 1.00 0.00 O ATOM 428 C3' U B 14 -2.561 8.890 2.072 1.00 0.00 C ATOM 429 O3' U B 14 -2.523 9.513 0.804 1.00 0.00 O ATOM 430 C2' U B 14 -1.259 9.067 2.805 1.00 0.00 C ATOM 431 O2' U B 14 -0.840 10.412 2.715 1.00 0.00 O ATOM 432 C1' U B 14 -1.661 8.784 4.239 1.00 0.00 C ATOM 433 N1 U B 14 -1.485 7.346 4.563 1.00 0.00 N ATOM 434 C2 U B 14 -0.270 6.951 5.104 1.00 0.00 C ATOM 435 O2 U B 14 0.665 7.734 5.261 1.00 0.00 O ATOM 436 N3 U B 14 -0.165 5.618 5.461 1.00 0.00 N ATOM 437 C4 U B 14 -1.154 4.658 5.327 1.00 0.00 C ATOM 438 O4 U B 14 -0.943 3.494 5.658 1.00 0.00 O ATOM 439 C5 U B 14 -2.392 5.161 4.776 1.00 0.00 C ATOM 440 C6 U B 14 -2.513 6.457 4.412 1.00 0.00 C ATOM 0 H5' U B 14 -5.603 9.624 3.592 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.316 9.602 1.864 1.00 0.00 H new ATOM 0 H4' U B 14 -3.479 10.650 2.942 1.00 0.00 H new ATOM 0 H3' U B 14 -2.839 7.864 1.830 1.00 0.00 H new ATOM 0 H2' U B 14 -0.453 8.440 2.423 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.344 10.865 2.007 1.00 0.00 H new ATOM 0 H1' U B 14 -1.041 9.348 4.935 1.00 0.00 H new ATOM 0 H3 U B 14 0.723 5.314 5.860 1.00 0.00 H new ATOM 0 H5 U B 14 -3.231 4.492 4.654 1.00 0.00 H new ATOM 0 H6 U B 14 -3.447 6.800 3.991 1.00 0.00 H new ATOM 451 P C B 15 -1.816 8.774 -0.452 1.00 0.00 P ATOM 452 OP1 C B 15 -1.816 9.713 -1.596 1.00 0.00 O ATOM 453 OP2 C B 15 -2.439 7.441 -0.599 1.00 0.00 O ATOM 454 O5' C B 15 -0.283 8.557 0.021 1.00 0.00 O ATOM 455 C5' C B 15 0.644 9.625 0.014 1.00 0.00 C ATOM 456 C4' C B 15 2.026 9.123 0.458 1.00 0.00 C ATOM 457 O4' C B 15 2.008 8.580 1.784 1.00 0.00 O ATOM 458 C3' C B 15 2.533 7.993 -0.411 1.00 0.00 C ATOM 459 O3' C B 15 3.005 8.446 -1.667 1.00 0.00 O ATOM 460 C2' C B 15 3.648 7.470 0.463 1.00 0.00 C ATOM 461 O2' C B 15 4.759 8.336 0.383 1.00 0.00 O ATOM 462 C1' C B 15 3.046 7.580 1.866 1.00 0.00 C ATOM 463 N1 C B 15 2.494 6.263 2.287 1.00 0.00 N ATOM 464 C2 C B 15 3.406 5.283 2.670 1.00 0.00 C ATOM 465 O2 C B 15 4.612 5.522 2.665 1.00 0.00 O ATOM 466 N3 C B 15 2.926 4.064 3.045 1.00 0.00 N ATOM 467 C4 C B 15 1.610 3.812 3.041 1.00 0.00 C ATOM 468 N4 C B 15 1.182 2.604 3.420 1.00 0.00 N ATOM 469 C5 C B 15 0.661 4.809 2.652 1.00 0.00 C ATOM 470 C6 C B 15 1.148 6.015 2.292 1.00 0.00 C ATOM 0 H5' C B 15 0.304 10.417 0.681 1.00 0.00 H new ATOM 0 H5'' C B 15 0.708 10.056 -0.985 1.00 0.00 H new ATOM 0 H4' C B 15 2.663 10.005 0.390 1.00 0.00 H new ATOM 0 H3' C B 15 1.779 7.255 -0.684 1.00 0.00 H new ATOM 0 H2' C B 15 3.982 6.469 0.190 1.00 0.00 H new ATOM 0 HO2' C B 15 5.481 7.995 0.952 1.00 0.00 H new ATOM 0 H1' C B 15 3.793 7.863 2.607 1.00 0.00 H new ATOM 0 H41 C B 15 0.184 2.394 3.423 1.00 0.00 H new ATOM 0 H42 C B 15 1.854 1.892 3.706 1.00 0.00 H new ATOM 0 H5 C B 15 -0.400 4.605 2.647 1.00 0.00 H new ATOM 0 H6 C B 15 0.463 6.799 2.003 1.00 0.00 H new ATOM 482 P C B 16 3.305 7.402 -2.861 1.00 0.00 P ATOM 483 OP1 C B 16 3.793 8.165 -4.031 1.00 0.00 O ATOM 484 OP2 C B 16 2.124 6.521 -3.001 1.00 0.00 O ATOM 485 O5' C B 16 4.525 6.509 -2.304 1.00 0.00 O ATOM 486 C5' C B 16 5.848 7.002 -2.298 1.00 0.00 C ATOM 487 C4' C B 16 6.788 5.909 -1.783 1.00 0.00 C ATOM 488 O4' C B 16 6.484 5.541 -0.445 1.00 0.00 O ATOM 489 C3' C B 16 6.643 4.624 -2.564 1.00 0.00 C ATOM 490 O3' C B 16 7.271 4.673 -3.828 1.00 0.00 O ATOM 491 C2' C B 16 7.309 3.651 -1.644 1.00 0.00 C ATOM 492 O2' C B 16 8.711 3.765 -1.765 1.00 0.00 O ATOM 493 C1' C B 16 6.867 4.165 -0.279 1.00 0.00 C ATOM 494 N1 C B 16 5.716 3.354 0.177 1.00 0.00 N ATOM 495 C2 C B 16 5.991 2.151 0.822 1.00 0.00 C ATOM 496 O2 C B 16 7.151 1.831 1.070 1.00 0.00 O ATOM 497 N3 C B 16 4.945 1.347 1.161 1.00 0.00 N ATOM 498 C4 C B 16 3.686 1.699 0.869 1.00 0.00 C ATOM 499 N4 C B 16 2.688 0.882 1.221 1.00 0.00 N ATOM 500 C5 C B 16 3.394 2.922 0.183 1.00 0.00 C ATOM 501 C6 C B 16 4.437 3.712 -0.135 1.00 0.00 C ATOM 0 H5' C B 16 5.917 7.886 -1.664 1.00 0.00 H new ATOM 0 H5'' C B 16 6.140 7.306 -3.303 1.00 0.00 H new ATOM 0 H4' C B 16 7.786 6.336 -1.879 1.00 0.00 H new ATOM 0 H3' C B 16 5.611 4.378 -2.812 1.00 0.00 H new ATOM 0 H2' C B 16 7.057 2.608 -1.834 1.00 0.00 H new ATOM 0 HO2' C B 16 8.938 4.056 -2.673 1.00 0.00 H new ATOM 0 HO3' C B 16 7.147 3.817 -4.288 1.00 0.00 H new ATOM 0 H1' C B 16 7.662 4.089 0.462 1.00 0.00 H new ATOM 0 H41 C B 16 1.723 1.134 1.007 1.00 0.00 H new ATOM 0 H42 C B 16 2.892 0.007 1.704 1.00 0.00 H new ATOM 0 H5 C B 16 2.381 3.199 -0.068 1.00 0.00 H new ATOM 0 H6 C B 16 4.258 4.646 -0.646 1.00 0.00 H new TER 514 C B 16