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= -0.209 USER MOD Single : A 1 G O5' : rot 180:sc=-0.000968 USER MOD Single : A 2 G O2' : rot 180:sc= -0.361 USER MOD Single : A 3 A O2' : rot -31:sc= 0.142 USER MOD Single : A 4 U O2' : rot 180:sc= -0.248 USER MOD Single : A 5 G O2' : rot -12:sc= 0.129 USER MOD Single : A 6 U O2' : rot -18:sc= -0.413 USER MOD Single : A 7 C O2' : rot -21:sc= 0.122 USER MOD Single : A 8 C O2' : rot -36:sc= 0.138 USER MOD Single : A 8 C O3' : rot 180:sc= 0.155 USER MOD Single : B 9 G O2' : rot 180:sc= -0.254 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.37 USER MOD Single : B 11 A O2' : rot -25:sc= 0.16 USER MOD Single : B 12 U O2' : rot 180:sc= -0.229 USER MOD Single : B 13 G O2' : rot -9:sc= 0.124 USER MOD Single : B 14 U O2' : rot -18:sc=-0.00554 USER MOD Single : B 15 C O2' : rot -11:sc= -0.201 USER MOD Single : B 16 C O2' : rot -26:sc= 0.137 USER MOD Single : B 16 C O3' : rot 180:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.183 -8.086 5.956 1.00 0.00 O ATOM 2 C5' G A 1 6.532 -8.495 5.993 1.00 0.00 C ATOM 3 C4' G A 1 7.434 -7.383 5.451 1.00 0.00 C ATOM 4 O4' G A 1 7.123 -7.072 4.094 1.00 0.00 O ATOM 5 C3' G A 1 7.269 -6.076 6.202 1.00 0.00 C ATOM 6 O3' G A 1 7.921 -6.085 7.458 1.00 0.00 O ATOM 7 C2' G A 1 7.921 -5.131 5.220 1.00 0.00 C ATOM 8 O2' G A 1 9.326 -5.268 5.275 1.00 0.00 O ATOM 9 C1' G A 1 7.423 -5.681 3.882 1.00 0.00 C ATOM 10 N9 G A 1 6.195 -4.958 3.481 1.00 0.00 N ATOM 11 C8 G A 1 4.891 -5.381 3.519 1.00 0.00 C ATOM 12 N7 G A 1 4.032 -4.491 3.108 1.00 0.00 N ATOM 13 C5 G A 1 4.820 -3.395 2.771 1.00 0.00 C ATOM 14 C6 G A 1 4.441 -2.117 2.263 1.00 0.00 C ATOM 15 O6 G A 1 3.313 -1.701 2.011 1.00 0.00 O ATOM 16 N1 G A 1 5.547 -1.301 2.054 1.00 0.00 N ATOM 17 C2 G A 1 6.854 -1.662 2.303 1.00 0.00 C ATOM 18 N2 G A 1 7.791 -0.743 2.047 1.00 0.00 N ATOM 19 N3 G A 1 7.213 -2.859 2.782 1.00 0.00 N ATOM 20 C4 G A 1 6.147 -3.673 2.992 1.00 0.00 C ATOM 0 H5' G A 1 6.662 -9.401 5.400 1.00 0.00 H new ATOM 0 H5'' G A 1 6.818 -8.740 7.016 1.00 0.00 H new ATOM 0 H4' G A 1 8.445 -7.773 5.564 1.00 0.00 H new ATOM 0 H3' G A 1 6.241 -5.827 6.467 1.00 0.00 H new ATOM 0 H2' G A 1 7.691 -4.081 5.400 1.00 0.00 H new ATOM 0 HO2' G A 1 9.740 -4.653 4.634 1.00 0.00 H new ATOM 0 HO5' G A 1 4.614 -8.804 6.303 1.00 0.00 H new ATOM 0 H1' G A 1 8.168 -5.557 3.096 1.00 0.00 H new ATOM 0 H8 G A 1 4.602 -6.364 3.859 1.00 0.00 H new ATOM 0 H1 G A 1 5.379 -0.364 1.689 1.00 0.00 H new ATOM 0 H21 G A 1 8.774 -0.957 2.213 1.00 0.00 H new ATOM 0 H22 G A 1 7.522 0.172 1.686 1.00 0.00 H new ATOM 33 P G A 2 7.612 -4.941 8.560 1.00 0.00 P ATOM 34 OP1 G A 2 8.412 -5.240 9.769 1.00 0.00 O ATOM 35 OP2 G A 2 6.143 -4.803 8.670 1.00 0.00 O ATOM 36 O5' G A 2 8.191 -3.590 7.899 1.00 0.00 O ATOM 37 C5' G A 2 9.582 -3.352 7.837 1.00 0.00 C ATOM 38 C4' G A 2 9.843 -2.007 7.155 1.00 0.00 C ATOM 39 O4' G A 2 9.296 -1.981 5.834 1.00 0.00 O ATOM 40 C3' G A 2 9.189 -0.842 7.872 1.00 0.00 C ATOM 41 O3' G A 2 9.892 -0.442 9.035 1.00 0.00 O ATOM 42 C2' G A 2 9.264 0.193 6.775 1.00 0.00 C ATOM 43 O2' G A 2 10.596 0.634 6.616 1.00 0.00 O ATOM 44 C1' G A 2 8.871 -0.637 5.558 1.00 0.00 C ATOM 45 N9 G A 2 7.400 -0.591 5.399 1.00 0.00 N ATOM 46 C8 G A 2 6.464 -1.537 5.735 1.00 0.00 C ATOM 47 N7 G A 2 5.236 -1.183 5.477 1.00 0.00 N ATOM 48 C5 G A 2 5.361 0.092 4.939 1.00 0.00 C ATOM 49 C6 G A 2 4.356 0.991 4.477 1.00 0.00 C ATOM 50 O6 G A 2 3.140 0.820 4.442 1.00 0.00 O ATOM 51 N1 G A 2 4.905 2.187 4.029 1.00 0.00 N ATOM 52 C2 G A 2 6.251 2.483 4.016 1.00 0.00 C ATOM 53 N2 G A 2 6.597 3.688 3.551 1.00 0.00 N ATOM 54 N3 G A 2 7.198 1.640 4.443 1.00 0.00 N ATOM 55 C4 G A 2 6.682 0.467 4.891 1.00 0.00 C ATOM 0 H5' G A 2 10.074 -4.153 7.285 1.00 0.00 H new ATOM 0 H5'' G A 2 10.006 -3.350 8.841 1.00 0.00 H new ATOM 0 H4' G A 2 10.928 -1.905 7.161 1.00 0.00 H new ATOM 0 H3' G A 2 8.190 -1.046 8.259 1.00 0.00 H new ATOM 0 H2' G A 2 8.651 1.077 6.953 1.00 0.00 H new ATOM 0 HO2' G A 2 10.636 1.304 5.902 1.00 0.00 H new ATOM 0 H1' G A 2 9.328 -0.263 4.642 1.00 0.00 H new ATOM 0 H8 G A 2 6.722 -2.490 6.174 1.00 0.00 H new ATOM 0 H1 G A 2 4.263 2.900 3.684 1.00 0.00 H new ATOM 0 H21 G A 2 7.580 3.959 3.519 1.00 0.00 H new ATOM 0 H22 G A 2 5.878 4.336 3.228 1.00 0.00 H new ATOM 67 P A A 3 9.193 0.514 10.144 1.00 0.00 P ATOM 68 OP1 A A 3 10.186 0.781 11.208 1.00 0.00 O ATOM 69 OP2 A A 3 7.885 -0.081 10.496 1.00 0.00 O ATOM 70 O5' A A 3 8.914 1.898 9.360 1.00 0.00 O ATOM 71 C5' A A 3 9.977 2.752 9.000 1.00 0.00 C ATOM 72 C4' A A 3 9.435 3.964 8.236 1.00 0.00 C ATOM 73 O4' A A 3 8.687 3.559 7.087 1.00 0.00 O ATOM 74 C3' A A 3 8.480 4.819 9.044 1.00 0.00 C ATOM 75 O3' A A 3 9.153 5.684 9.938 1.00 0.00 O ATOM 76 C2' A A 3 7.788 5.587 7.953 1.00 0.00 C ATOM 77 O2' A A 3 8.637 6.609 7.473 1.00 0.00 O ATOM 78 C1' A A 3 7.634 4.518 6.876 1.00 0.00 C ATOM 79 N9 A A 3 6.312 3.860 7.007 1.00 0.00 N ATOM 80 C8 A A 3 6.013 2.584 7.417 1.00 0.00 C ATOM 81 N7 A A 3 4.743 2.293 7.364 1.00 0.00 N ATOM 82 C5 A A 3 4.154 3.464 6.902 1.00 0.00 C ATOM 83 C6 A A 3 2.818 3.816 6.635 1.00 0.00 C ATOM 84 N6 A A 3 1.792 2.970 6.788 1.00 0.00 N ATOM 85 N1 A A 3 2.576 5.072 6.218 1.00 0.00 N ATOM 86 C2 A A 3 3.597 5.911 6.067 1.00 0.00 C ATOM 87 N3 A A 3 4.891 5.697 6.269 1.00 0.00 N ATOM 88 C4 A A 3 5.100 4.429 6.696 1.00 0.00 C ATOM 0 H5' A A 3 10.695 2.213 8.382 1.00 0.00 H new ATOM 0 H5'' A A 3 10.509 3.082 9.893 1.00 0.00 H new ATOM 0 H4' A A 3 10.328 4.534 7.981 1.00 0.00 H new ATOM 0 H3' A A 3 7.816 4.244 9.689 1.00 0.00 H new ATOM 0 H2' A A 3 6.857 6.061 8.263 1.00 0.00 H new ATOM 0 HO2' A A 3 9.214 6.924 8.200 1.00 0.00 H new ATOM 0 H1' A A 3 7.697 4.952 5.878 1.00 0.00 H new ATOM 0 H8 A A 3 6.763 1.884 7.753 1.00 0.00 H new ATOM 0 H61 A A 3 0.842 3.278 6.580 1.00 0.00 H new ATOM 0 H62 A A 3 1.960 2.018 7.113 1.00 0.00 H new ATOM 0 H2 A A 3 3.337 6.905 5.734 1.00 0.00 H new ATOM 100 P U A 4 8.780 5.700 11.498 1.00 0.00 P ATOM 101 OP1 U A 4 9.756 6.556 12.207 1.00 0.00 O ATOM 102 OP2 U A 4 8.549 4.309 11.943 1.00 0.00 O ATOM 103 O5' U A 4 7.368 6.468 11.451 1.00 0.00 O ATOM 104 C5' U A 4 7.313 7.842 11.121 1.00 0.00 C ATOM 105 C4' U A 4 5.867 8.260 10.858 1.00 0.00 C ATOM 106 O4' U A 4 5.335 7.566 9.733 1.00 0.00 O ATOM 107 C3' U A 4 4.938 7.934 12.006 1.00 0.00 C ATOM 108 O3' U A 4 5.050 8.866 13.067 1.00 0.00 O ATOM 109 C2' U A 4 3.605 8.024 11.302 1.00 0.00 C ATOM 110 O2' U A 4 3.254 9.379 11.121 1.00 0.00 O ATOM 111 C1' U A 4 3.922 7.419 9.931 1.00 0.00 C ATOM 112 N1 U A 4 3.544 5.985 9.906 1.00 0.00 N ATOM 113 C2 U A 4 2.210 5.692 9.679 1.00 0.00 C ATOM 114 O2 U A 4 1.374 6.575 9.500 1.00 0.00 O ATOM 115 N3 U A 4 1.866 4.349 9.663 1.00 0.00 N ATOM 116 C4 U A 4 2.735 3.288 9.864 1.00 0.00 C ATOM 117 O4 U A 4 2.323 2.131 9.842 1.00 0.00 O ATOM 118 C5 U A 4 4.112 3.683 10.080 1.00 0.00 C ATOM 119 C6 U A 4 4.470 4.989 10.092 1.00 0.00 C ATOM 0 H5' U A 4 7.923 8.037 10.239 1.00 0.00 H new ATOM 0 H5'' U A 4 7.730 8.436 11.934 1.00 0.00 H new ATOM 0 H4' U A 4 5.913 9.338 10.702 1.00 0.00 H new ATOM 0 H3' U A 4 5.132 6.979 12.494 1.00 0.00 H new ATOM 0 H2' U A 4 2.793 7.536 11.840 1.00 0.00 H new ATOM 0 HO2' U A 4 2.389 9.435 10.663 1.00 0.00 H new ATOM 0 H1' U A 4 3.363 7.920 9.141 1.00 0.00 H new ATOM 0 H3 U A 4 0.887 4.122 9.488 1.00 0.00 H new ATOM 0 H5 U A 4 4.865 2.924 10.234 1.00 0.00 H new ATOM 0 H6 U A 4 5.505 5.252 10.251 1.00 0.00 H new ATOM 130 P G A 5 4.292 8.618 14.469 1.00 0.00 P ATOM 131 OP1 G A 5 4.695 9.690 15.407 1.00 0.00 O ATOM 132 OP2 G A 5 4.484 7.201 14.848 1.00 0.00 O ATOM 133 O5' G A 5 2.738 8.832 14.103 1.00 0.00 O ATOM 134 C5' G A 5 2.206 10.128 13.910 1.00 0.00 C ATOM 135 C4' G A 5 0.717 10.016 13.573 1.00 0.00 C ATOM 136 O4' G A 5 0.512 9.250 12.391 1.00 0.00 O ATOM 137 C3' G A 5 -0.048 9.274 14.649 1.00 0.00 C ATOM 138 O3' G A 5 -0.328 10.088 15.777 1.00 0.00 O ATOM 139 C2' G A 5 -1.300 8.908 13.892 1.00 0.00 C ATOM 140 O2' G A 5 -2.201 9.995 13.898 1.00 0.00 O ATOM 141 C1' G A 5 -0.802 8.686 12.469 1.00 0.00 C ATOM 142 N9 G A 5 -0.773 7.240 12.185 1.00 0.00 N ATOM 143 C8 G A 5 0.274 6.367 12.273 1.00 0.00 C ATOM 144 N7 G A 5 -0.035 5.133 11.980 1.00 0.00 N ATOM 145 C5 G A 5 -1.394 5.192 11.683 1.00 0.00 C ATOM 146 C6 G A 5 -2.301 4.157 11.300 1.00 0.00 C ATOM 147 O6 G A 5 -2.075 2.961 11.125 1.00 0.00 O ATOM 148 N1 G A 5 -3.583 4.648 11.121 1.00 0.00 N ATOM 149 C2 G A 5 -3.963 5.961 11.275 1.00 0.00 C ATOM 150 N2 G A 5 -5.251 6.241 11.050 1.00 0.00 N ATOM 151 N3 G A 5 -3.120 6.936 11.627 1.00 0.00 N ATOM 152 C4 G A 5 -1.855 6.481 11.815 1.00 0.00 C ATOM 0 H5' G A 5 2.736 10.635 13.104 1.00 0.00 H new ATOM 0 H5'' G A 5 2.343 10.728 14.809 1.00 0.00 H new ATOM 0 H4' G A 5 0.369 11.043 13.465 1.00 0.00 H new ATOM 0 H3' G A 5 0.490 8.429 15.079 1.00 0.00 H new ATOM 0 H2' G A 5 -1.815 8.047 14.317 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.901 10.665 14.547 1.00 0.00 H new ATOM 0 H1' G A 5 -1.455 9.158 11.735 1.00 0.00 H new ATOM 0 H8 G A 5 1.270 6.671 12.560 1.00 0.00 H new ATOM 0 H1 G A 5 -4.306 3.980 10.853 1.00 0.00 H new ATOM 0 H21 G A 5 -5.590 7.198 11.149 1.00 0.00 H new ATOM 0 H22 G A 5 -5.895 5.498 10.779 1.00 0.00 H new ATOM 164 P U A 6 -0.840 9.435 17.168 1.00 0.00 P ATOM 165 OP1 U A 6 -0.980 10.524 18.160 1.00 0.00 O ATOM 166 OP2 U A 6 0.032 8.279 17.470 1.00 0.00 O ATOM 167 O5' U A 6 -2.318 8.867 16.840 1.00 0.00 O ATOM 168 C5' U A 6 -3.451 9.715 16.845 1.00 0.00 C ATOM 169 C4' U A 6 -4.725 8.887 16.597 1.00 0.00 C ATOM 170 O4' U A 6 -4.719 8.279 15.298 1.00 0.00 O ATOM 171 C3' U A 6 -4.874 7.730 17.571 1.00 0.00 C ATOM 172 O3' U A 6 -5.360 8.115 18.842 1.00 0.00 O ATOM 173 C2' U A 6 -5.889 6.904 16.829 1.00 0.00 C ATOM 174 O2' U A 6 -7.158 7.519 16.912 1.00 0.00 O ATOM 175 C1' U A 6 -5.398 7.010 15.398 1.00 0.00 C ATOM 176 N1 U A 6 -4.460 5.904 15.083 1.00 0.00 N ATOM 177 C2 U A 6 -4.991 4.746 14.533 1.00 0.00 C ATOM 178 O2 U A 6 -6.198 4.596 14.356 1.00 0.00 O ATOM 179 N3 U A 6 -4.082 3.760 14.191 1.00 0.00 N ATOM 180 C4 U A 6 -2.707 3.829 14.347 1.00 0.00 C ATOM 181 O4 U A 6 -1.994 2.882 14.026 1.00 0.00 O ATOM 182 C5 U A 6 -2.241 5.077 14.908 1.00 0.00 C ATOM 183 C6 U A 6 -3.112 6.049 15.258 1.00 0.00 C ATOM 0 H5' U A 6 -3.348 10.479 16.075 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.524 10.234 17.801 1.00 0.00 H new ATOM 0 H4' U A 6 -5.538 9.604 16.712 1.00 0.00 H new ATOM 0 H3' U A 6 -3.933 7.235 17.812 1.00 0.00 H new ATOM 0 H2' U A 6 -5.986 5.886 17.207 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.159 8.169 17.645 1.00 0.00 H new ATOM 0 H1' U A 6 -6.227 6.941 14.694 1.00 0.00 H new ATOM 0 H3 U A 6 -4.459 2.903 13.787 1.00 0.00 H new ATOM 0 H5 U A 6 -1.182 5.235 15.049 1.00 0.00 H new ATOM 0 H6 U A 6 -2.733 6.965 15.687 1.00 0.00 H new ATOM 194 P C A 7 -5.302 7.083 20.089 1.00 0.00 P ATOM 195 OP1 C A 7 -5.997 7.709 21.236 1.00 0.00 O ATOM 196 OP2 C A 7 -3.900 6.634 20.239 1.00 0.00 O ATOM 197 O5' C A 7 -6.180 5.811 19.602 1.00 0.00 O ATOM 198 C5' C A 7 -7.593 5.858 19.596 1.00 0.00 C ATOM 199 C4' C A 7 -8.164 4.509 19.130 1.00 0.00 C ATOM 200 O4' C A 7 -7.738 4.165 17.806 1.00 0.00 O ATOM 201 C3' C A 7 -7.702 3.355 19.993 1.00 0.00 C ATOM 202 O3' C A 7 -8.372 3.304 21.241 1.00 0.00 O ATOM 203 C2' C A 7 -8.086 2.201 19.099 1.00 0.00 C ATOM 204 O2' C A 7 -9.485 2.026 19.142 1.00 0.00 O ATOM 205 C1' C A 7 -7.711 2.724 17.713 1.00 0.00 C ATOM 206 N1 C A 7 -6.358 2.235 17.328 1.00 0.00 N ATOM 207 C2 C A 7 -6.244 0.898 16.956 1.00 0.00 C ATOM 208 O2 C A 7 -7.236 0.171 16.944 1.00 0.00 O ATOM 209 N3 C A 7 -5.015 0.424 16.611 1.00 0.00 N ATOM 210 C4 C A 7 -3.939 1.222 16.632 1.00 0.00 C ATOM 211 N4 C A 7 -2.752 0.719 16.282 1.00 0.00 N ATOM 212 C5 C A 7 -4.040 2.600 17.007 1.00 0.00 C ATOM 213 C6 C A 7 -5.265 3.060 17.338 1.00 0.00 C ATOM 0 H5' C A 7 -7.935 6.654 18.935 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.961 6.092 20.595 1.00 0.00 H new ATOM 0 H4' C A 7 -9.244 4.648 19.186 1.00 0.00 H new ATOM 0 H3' C A 7 -6.651 3.394 20.280 1.00 0.00 H new ATOM 0 H2' C A 7 -7.614 1.257 19.372 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.840 2.430 19.961 1.00 0.00 H new ATOM 0 H1' C A 7 -8.403 2.373 16.948 1.00 0.00 H new ATOM 0 H41 C A 7 -1.923 1.313 16.293 1.00 0.00 H new ATOM 0 H42 C A 7 -2.675 -0.259 16.004 1.00 0.00 H new ATOM 0 H5 C A 7 -3.173 3.244 17.024 1.00 0.00 H new ATOM 0 H6 C A 7 -5.385 4.097 17.616 1.00 0.00 H new ATOM 225 P C A 8 -7.805 2.389 22.447 1.00 0.00 P ATOM 226 OP1 C A 8 -8.708 2.549 23.609 1.00 0.00 O ATOM 227 OP2 C A 8 -6.362 2.678 22.596 1.00 0.00 O ATOM 228 O5' C A 8 -7.954 0.878 21.904 1.00 0.00 O ATOM 229 C5' C A 8 -9.191 0.195 21.966 1.00 0.00 C ATOM 230 C4' C A 8 -9.004 -1.235 21.453 1.00 0.00 C ATOM 231 O4' C A 8 -8.546 -1.256 20.108 1.00 0.00 O ATOM 232 C3' C A 8 -7.937 -1.979 22.222 1.00 0.00 C ATOM 233 O3' C A 8 -8.380 -2.416 23.489 1.00 0.00 O ATOM 234 C2' C A 8 -7.665 -3.126 21.300 1.00 0.00 C ATOM 235 O2' C A 8 -8.677 -4.101 21.436 1.00 0.00 O ATOM 236 C1' C A 8 -7.773 -2.456 19.935 1.00 0.00 C ATOM 237 N1 C A 8 -6.405 -2.136 19.465 1.00 0.00 N ATOM 238 C2 C A 8 -5.684 -3.155 18.850 1.00 0.00 C ATOM 239 O2 C A 8 -6.213 -4.241 18.620 1.00 0.00 O ATOM 240 N3 C A 8 -4.384 -2.917 18.519 1.00 0.00 N ATOM 241 C4 C A 8 -3.812 -1.737 18.792 1.00 0.00 C ATOM 242 N4 C A 8 -2.534 -1.543 18.450 1.00 0.00 N ATOM 243 C5 C A 8 -4.539 -0.690 19.445 1.00 0.00 C ATOM 244 C6 C A 8 -5.826 -0.935 19.754 1.00 0.00 C ATOM 0 H5' C A 8 -9.937 0.715 21.365 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.561 0.181 22.991 1.00 0.00 H new ATOM 0 H4' C A 8 -9.985 -1.697 21.564 1.00 0.00 H new ATOM 0 H3' C A 8 -7.064 -1.371 22.459 1.00 0.00 H new ATOM 0 H2' C A 8 -6.716 -3.631 21.479 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.957 -4.153 22.374 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.654 -2.892 23.943 1.00 0.00 H new ATOM 0 H1' C A 8 -8.254 -3.100 19.199 1.00 0.00 H new ATOM 0 H41 C A 8 -2.082 -0.651 18.650 1.00 0.00 H new ATOM 0 H42 C A 8 -2.011 -2.287 17.989 1.00 0.00 H new ATOM 0 H5 C A 8 -4.074 0.256 19.680 1.00 0.00 H new ATOM 0 H6 C A 8 -6.411 -0.167 20.239 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.545 -9.380 13.710 1.00 0.00 O ATOM 259 C5' G B 9 1.943 -10.654 13.611 1.00 0.00 C ATOM 260 C4' G B 9 0.492 -10.594 14.100 1.00 0.00 C ATOM 261 O4' G B 9 0.420 -10.221 15.475 1.00 0.00 O ATOM 262 C3' G B 9 -0.339 -9.561 13.367 1.00 0.00 C ATOM 263 O3' G B 9 -0.716 -9.985 12.070 1.00 0.00 O ATOM 264 C2' G B 9 -1.512 -9.468 14.311 1.00 0.00 C ATOM 265 O2' G B 9 -2.324 -10.616 14.185 1.00 0.00 O ATOM 266 C1' G B 9 -0.812 -9.506 15.670 1.00 0.00 C ATOM 267 N9 G B 9 -0.521 -8.124 16.109 1.00 0.00 N ATOM 268 C8 G B 9 0.674 -7.451 16.108 1.00 0.00 C ATOM 269 N7 G B 9 0.593 -6.225 16.545 1.00 0.00 N ATOM 270 C5 G B 9 -0.753 -6.070 16.860 1.00 0.00 C ATOM 271 C6 G B 9 -1.447 -4.938 17.379 1.00 0.00 C ATOM 272 O6 G B 9 -0.995 -3.832 17.665 1.00 0.00 O ATOM 273 N1 G B 9 -2.801 -5.203 17.556 1.00 0.00 N ATOM 274 C2 G B 9 -3.415 -6.403 17.268 1.00 0.00 C ATOM 275 N2 G B 9 -4.731 -6.476 17.497 1.00 0.00 N ATOM 276 N3 G B 9 -2.768 -7.467 16.778 1.00 0.00 N ATOM 277 C4 G B 9 -1.443 -7.230 16.599 1.00 0.00 C ATOM 0 H5' G B 9 2.504 -11.376 14.204 1.00 0.00 H new ATOM 0 H5'' G B 9 1.972 -10.998 12.577 1.00 0.00 H new ATOM 0 H4' G B 9 0.106 -11.598 13.921 1.00 0.00 H new ATOM 0 H3' G B 9 0.169 -8.617 13.169 1.00 0.00 H new ATOM 0 H2' G B 9 -2.149 -8.600 14.143 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.083 -10.549 14.802 1.00 0.00 H new ATOM 0 HO5' G B 9 3.472 -9.431 13.396 1.00 0.00 H new ATOM 0 H1' G B 9 -1.432 -9.987 16.427 1.00 0.00 H new ATOM 0 H8 G B 9 1.600 -7.897 15.775 1.00 0.00 H new ATOM 0 H1 G B 9 -3.384 -4.452 17.927 1.00 0.00 H new ATOM 0 H21 G B 9 -5.235 -7.341 17.301 1.00 0.00 H new ATOM 0 H22 G B 9 -5.230 -5.667 17.867 1.00 0.00 H new ATOM 290 P G B 10 -1.321 -8.935 10.998 1.00 0.00 P ATOM 291 OP1 G B 10 -1.585 -9.666 9.739 1.00 0.00 O ATOM 292 OP2 G B 10 -0.442 -7.745 10.984 1.00 0.00 O ATOM 293 O5' G B 10 -2.738 -8.502 11.632 1.00 0.00 O ATOM 294 C5' G B 10 -3.834 -9.391 11.631 1.00 0.00 C ATOM 295 C4' G B 10 -5.034 -8.732 12.318 1.00 0.00 C ATOM 296 O4' G B 10 -4.719 -8.355 13.662 1.00 0.00 O ATOM 297 C3' G B 10 -5.474 -7.449 11.639 1.00 0.00 C ATOM 298 O3' G B 10 -6.235 -7.678 10.467 1.00 0.00 O ATOM 299 C2' G B 10 -6.305 -6.848 12.750 1.00 0.00 C ATOM 300 O2' G B 10 -7.529 -7.544 12.881 1.00 0.00 O ATOM 301 C1' G B 10 -5.434 -7.145 13.964 1.00 0.00 C ATOM 302 N9 G B 10 -4.483 -6.025 14.158 1.00 0.00 N ATOM 303 C8 G B 10 -3.149 -5.958 13.843 1.00 0.00 C ATOM 304 N7 G B 10 -2.593 -4.814 14.125 1.00 0.00 N ATOM 305 C5 G B 10 -3.631 -4.060 14.660 1.00 0.00 C ATOM 306 C6 G B 10 -3.631 -2.719 15.142 1.00 0.00 C ATOM 307 O6 G B 10 -2.690 -1.931 15.201 1.00 0.00 O ATOM 308 N1 G B 10 -4.892 -2.331 15.579 1.00 0.00 N ATOM 309 C2 G B 10 -6.014 -3.132 15.565 1.00 0.00 C ATOM 310 N2 G B 10 -7.146 -2.589 16.024 1.00 0.00 N ATOM 311 N3 G B 10 -6.017 -4.394 15.119 1.00 0.00 N ATOM 312 C4 G B 10 -4.795 -4.791 14.681 1.00 0.00 C ATOM 0 H5' G B 10 -3.568 -10.313 12.148 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.093 -9.663 10.608 1.00 0.00 H new ATOM 0 H4' G B 10 -5.823 -9.483 12.270 1.00 0.00 H new ATOM 0 H3' G B 10 -4.658 -6.824 11.276 1.00 0.00 H new ATOM 0 H2' G B 10 -6.553 -5.797 12.600 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.056 -7.145 13.605 1.00 0.00 H new ATOM 0 H1' G B 10 -6.023 -7.258 14.874 1.00 0.00 H new ATOM 0 H8 G B 10 -2.608 -6.781 13.400 1.00 0.00 H new ATOM 0 H1 G B 10 -4.995 -1.382 15.937 1.00 0.00 H new ATOM 0 H21 G B 10 -8.006 -3.137 16.036 1.00 0.00 H new ATOM 0 H22 G B 10 -7.150 -1.627 16.362 1.00 0.00 H new ATOM 324 P A B 11 -6.475 -6.494 9.384 1.00 0.00 P ATOM 325 OP1 A B 11 -7.327 -7.032 8.301 1.00 0.00 O ATOM 326 OP2 A B 11 -5.158 -5.905 9.056 1.00 0.00 O ATOM 327 O5' A B 11 -7.328 -5.384 10.188 1.00 0.00 O ATOM 328 C5' A B 11 -8.676 -5.618 10.534 1.00 0.00 C ATOM 329 C4' A B 11 -9.226 -4.426 11.322 1.00 0.00 C ATOM 330 O4' A B 11 -8.436 -4.161 12.483 1.00 0.00 O ATOM 331 C3' A B 11 -9.227 -3.125 10.543 1.00 0.00 C ATOM 332 O3' A B 11 -10.317 -3.032 9.648 1.00 0.00 O ATOM 333 C2' A B 11 -9.348 -2.125 11.657 1.00 0.00 C ATOM 334 O2' A B 11 -10.679 -2.100 12.128 1.00 0.00 O ATOM 335 C1' A B 11 -8.449 -2.742 12.722 1.00 0.00 C ATOM 336 N9 A B 11 -7.076 -2.195 12.598 1.00 0.00 N ATOM 337 C8 A B 11 -5.928 -2.819 12.175 1.00 0.00 C ATOM 338 N7 A B 11 -4.863 -2.069 12.238 1.00 0.00 N ATOM 339 C5 A B 11 -5.338 -0.857 12.722 1.00 0.00 C ATOM 340 C6 A B 11 -4.705 0.366 13.009 1.00 0.00 C ATOM 341 N6 A B 11 -3.391 0.566 12.854 1.00 0.00 N ATOM 342 N1 A B 11 -5.476 1.379 13.446 1.00 0.00 N ATOM 343 C2 A B 11 -6.782 1.178 13.598 1.00 0.00 C ATOM 344 N3 A B 11 -7.489 0.077 13.378 1.00 0.00 N ATOM 345 C4 A B 11 -6.688 -0.919 12.932 1.00 0.00 C ATOM 0 H5' A B 11 -8.755 -6.527 11.130 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.270 -5.775 9.633 1.00 0.00 H new ATOM 0 H4' A B 11 -10.247 -4.723 11.564 1.00 0.00 H new ATOM 0 H3' A B 11 -8.353 -2.995 9.904 1.00 0.00 H new ATOM 0 H2' A B 11 -9.084 -1.105 11.376 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.283 -2.399 11.417 1.00 0.00 H new ATOM 0 H1' A B 11 -8.814 -2.517 13.724 1.00 0.00 H new ATOM 0 H8 A B 11 -5.909 -3.839 11.822 1.00 0.00 H new ATOM 0 H61 A B 11 -2.983 1.474 13.077 1.00 0.00 H new ATOM 0 H62 A B 11 -2.797 -0.190 12.512 1.00 0.00 H new ATOM 0 H2 A B 11 -7.345 2.030 13.949 1.00 0.00 H new ATOM 357 P U B 12 -10.077 -2.710 8.095 1.00 0.00 P ATOM 358 OP1 U B 12 -11.363 -2.860 7.378 1.00 0.00 O ATOM 359 OP2 U B 12 -8.880 -3.449 7.638 1.00 0.00 O ATOM 360 O5' U B 12 -9.718 -1.145 8.176 1.00 0.00 O ATOM 361 C5' U B 12 -10.714 -0.203 8.522 1.00 0.00 C ATOM 362 C4' U B 12 -10.075 1.154 8.816 1.00 0.00 C ATOM 363 O4' U B 12 -9.205 1.074 9.943 1.00 0.00 O ATOM 364 C3' U B 12 -9.215 1.664 7.679 1.00 0.00 C ATOM 365 O3' U B 12 -9.991 2.222 6.635 1.00 0.00 O ATOM 366 C2' U B 12 -8.397 2.704 8.408 1.00 0.00 C ATOM 367 O2' U B 12 -9.174 3.865 8.618 1.00 0.00 O ATOM 368 C1' U B 12 -8.153 2.032 9.761 1.00 0.00 C ATOM 369 N1 U B 12 -6.831 1.356 9.765 1.00 0.00 N ATOM 370 C2 U B 12 -5.721 2.150 10.001 1.00 0.00 C ATOM 371 O2 U B 12 -5.818 3.357 10.206 1.00 0.00 O ATOM 372 N3 U B 12 -4.491 1.509 9.995 1.00 0.00 N ATOM 373 C4 U B 12 -4.283 0.158 9.767 1.00 0.00 C ATOM 374 O4 U B 12 -3.146 -0.308 9.771 1.00 0.00 O ATOM 375 C5 U B 12 -5.498 -0.599 9.545 1.00 0.00 C ATOM 376 C6 U B 12 -6.709 0.006 9.552 1.00 0.00 C ATOM 0 H5' U B 12 -11.266 -0.550 9.395 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.433 -0.107 7.708 1.00 0.00 H new ATOM 0 H4' U B 12 -10.916 1.826 8.985 1.00 0.00 H new ATOM 0 H3' U B 12 -8.626 0.900 7.171 1.00 0.00 H new ATOM 0 H2' U B 12 -7.494 3.000 7.875 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.639 4.535 9.092 1.00 0.00 H new ATOM 0 H1' U B 12 -8.150 2.764 10.569 1.00 0.00 H new ATOM 0 H3 U B 12 -3.667 2.083 10.174 1.00 0.00 H new ATOM 0 H5 U B 12 -5.437 -1.663 9.371 1.00 0.00 H new ATOM 0 H6 U B 12 -7.597 -0.586 9.387 1.00 0.00 H new ATOM 387 P G B 13 -9.309 2.651 5.237 1.00 0.00 P ATOM 388 OP1 G B 13 -10.383 3.081 4.313 1.00 0.00 O ATOM 389 OP2 G B 13 -8.381 1.573 4.832 1.00 0.00 O ATOM 390 O5' G B 13 -8.434 3.946 5.623 1.00 0.00 O ATOM 391 C5' G B 13 -9.048 5.201 5.843 1.00 0.00 C ATOM 392 C4' G B 13 -7.974 6.234 6.188 1.00 0.00 C ATOM 393 O4' G B 13 -7.257 5.863 7.359 1.00 0.00 O ATOM 394 C3' G B 13 -6.919 6.332 5.106 1.00 0.00 C ATOM 395 O3' G B 13 -7.350 7.105 3.997 1.00 0.00 O ATOM 396 C2' G B 13 -5.806 7.010 5.866 1.00 0.00 C ATOM 397 O2' G B 13 -6.015 8.407 5.882 1.00 0.00 O ATOM 398 C1' G B 13 -5.961 6.467 7.281 1.00 0.00 C ATOM 399 N9 G B 13 -4.902 5.474 7.538 1.00 0.00 N ATOM 400 C8 G B 13 -4.955 4.114 7.430 1.00 0.00 C ATOM 401 N7 G B 13 -3.828 3.514 7.702 1.00 0.00 N ATOM 402 C5 G B 13 -2.959 4.558 8.004 1.00 0.00 C ATOM 403 C6 G B 13 -1.578 4.534 8.370 1.00 0.00 C ATOM 404 O6 G B 13 -0.838 3.564 8.523 1.00 0.00 O ATOM 405 N1 G B 13 -1.083 5.814 8.561 1.00 0.00 N ATOM 406 C2 G B 13 -1.807 6.976 8.433 1.00 0.00 C ATOM 407 N2 G B 13 -1.151 8.117 8.665 1.00 0.00 N ATOM 408 N3 G B 13 -3.100 7.006 8.099 1.00 0.00 N ATOM 409 C4 G B 13 -3.610 5.765 7.898 1.00 0.00 C ATOM 0 H5' G B 13 -9.772 5.127 6.654 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.596 5.512 4.954 1.00 0.00 H new ATOM 0 H4' G B 13 -8.512 7.174 6.314 1.00 0.00 H new ATOM 0 H3' G B 13 -6.649 5.376 4.657 1.00 0.00 H new ATOM 0 H2' G B 13 -4.823 6.828 5.432 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.753 8.634 5.278 1.00 0.00 H new ATOM 0 H1' G B 13 -5.870 7.256 8.028 1.00 0.00 H new ATOM 0 H8 G B 13 -5.850 3.582 7.145 1.00 0.00 H new ATOM 0 H1 G B 13 -0.100 5.902 8.818 1.00 0.00 H new ATOM 0 H21 G B 13 -1.637 9.010 8.585 1.00 0.00 H new ATOM 0 H22 G B 13 -0.164 8.095 8.922 1.00 0.00 H new ATOM 421 P U B 14 -6.544 7.070 2.592 1.00 0.00 P ATOM 422 OP1 U B 14 -7.274 7.920 1.625 1.00 0.00 O ATOM 423 OP2 U B 14 -6.276 5.653 2.263 1.00 0.00 O ATOM 424 O5' U B 14 -5.127 7.781 2.911 1.00 0.00 O ATOM 425 C5' U B 14 -4.999 9.190 2.930 1.00 0.00 C ATOM 426 C4' U B 14 -3.528 9.580 3.159 1.00 0.00 C ATOM 427 O4' U B 14 -3.058 9.154 4.445 1.00 0.00 O ATOM 428 C3' U B 14 -2.583 8.930 2.161 1.00 0.00 C ATOM 429 O3' U B 14 -2.560 9.566 0.898 1.00 0.00 O ATOM 430 C2' U B 14 -1.282 9.129 2.886 1.00 0.00 C ATOM 431 O2' U B 14 -0.913 10.490 2.820 1.00 0.00 O ATOM 432 C1' U B 14 -1.663 8.809 4.317 1.00 0.00 C ATOM 433 N1 U B 14 -1.467 7.367 4.609 1.00 0.00 N ATOM 434 C2 U B 14 -0.246 6.976 5.140 1.00 0.00 C ATOM 435 O2 U B 14 0.679 7.767 5.314 1.00 0.00 O ATOM 436 N3 U B 14 -0.123 5.637 5.468 1.00 0.00 N ATOM 437 C4 U B 14 -1.100 4.667 5.314 1.00 0.00 C ATOM 438 O4 U B 14 -0.874 3.500 5.620 1.00 0.00 O ATOM 439 C5 U B 14 -2.346 5.167 4.777 1.00 0.00 C ATOM 440 C6 U B 14 -2.484 6.469 4.441 1.00 0.00 C ATOM 0 H5' U B 14 -5.623 9.610 3.719 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.353 9.609 1.988 1.00 0.00 H new ATOM 0 H4' U B 14 -3.521 10.665 3.057 1.00 0.00 H new ATOM 0 H3' U B 14 -2.848 7.903 1.911 1.00 0.00 H new ATOM 0 H2' U B 14 -0.461 8.534 2.487 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.411 10.929 2.099 1.00 0.00 H new ATOM 0 H1' U B 14 -1.041 9.364 5.019 1.00 0.00 H new ATOM 0 H3 U B 14 0.770 5.337 5.859 1.00 0.00 H new ATOM 0 H5 U B 14 -3.178 4.491 4.643 1.00 0.00 H new ATOM 0 H6 U B 14 -3.423 6.809 4.029 1.00 0.00 H new ATOM 451 P C B 15 -1.864 8.841 -0.374 1.00 0.00 P ATOM 452 OP1 C B 15 -1.890 9.788 -1.511 1.00 0.00 O ATOM 453 OP2 C B 15 -2.479 7.504 -0.522 1.00 0.00 O ATOM 454 O5' C B 15 -0.318 8.630 0.070 1.00 0.00 O ATOM 455 C5' C B 15 0.614 9.693 0.008 1.00 0.00 C ATOM 456 C4' C B 15 2.009 9.200 0.420 1.00 0.00 C ATOM 457 O4' C B 15 2.028 8.679 1.754 1.00 0.00 O ATOM 458 C3' C B 15 2.499 8.061 -0.446 1.00 0.00 C ATOM 459 O3' C B 15 2.945 8.499 -1.715 1.00 0.00 O ATOM 460 C2' C B 15 3.636 7.549 0.410 1.00 0.00 C ATOM 461 O2' C B 15 4.751 8.408 0.290 1.00 0.00 O ATOM 462 C1' C B 15 3.068 7.678 1.823 1.00 0.00 C ATOM 463 N1 C B 15 2.524 6.366 2.270 1.00 0.00 N ATOM 464 C2 C B 15 3.445 5.387 2.638 1.00 0.00 C ATOM 465 O2 C B 15 4.649 5.629 2.616 1.00 0.00 O ATOM 466 N3 C B 15 2.975 4.166 3.017 1.00 0.00 N ATOM 467 C4 C B 15 1.660 3.910 3.030 1.00 0.00 C ATOM 468 N4 C B 15 1.240 2.701 3.412 1.00 0.00 N ATOM 469 C5 C B 15 0.702 4.905 2.658 1.00 0.00 C ATOM 470 C6 C B 15 1.179 6.115 2.296 1.00 0.00 C ATOM 0 H5' C B 15 0.298 10.503 0.666 1.00 0.00 H new ATOM 0 H5'' C B 15 0.648 10.098 -1.003 1.00 0.00 H new ATOM 0 H4' C B 15 2.642 10.082 0.320 1.00 0.00 H new ATOM 0 H3' C B 15 1.739 7.320 -0.693 1.00 0.00 H new ATOM 0 H2' C B 15 3.962 6.544 0.143 1.00 0.00 H new ATOM 0 HO2' C B 15 4.599 9.041 -0.443 1.00 0.00 H new ATOM 0 H1' C B 15 3.832 7.970 2.543 1.00 0.00 H new ATOM 0 H41 C B 15 0.242 2.489 3.428 1.00 0.00 H new ATOM 0 H42 C B 15 1.917 1.990 3.688 1.00 0.00 H new ATOM 0 H5 C B 15 -0.358 4.697 2.666 1.00 0.00 H new ATOM 0 H6 C B 15 0.487 6.898 2.022 1.00 0.00 H new ATOM 482 P C B 16 3.213 7.442 -2.906 1.00 0.00 P ATOM 483 OP1 C B 16 3.680 8.194 -4.092 1.00 0.00 O ATOM 484 OP2 C B 16 2.024 6.569 -3.014 1.00 0.00 O ATOM 485 O5' C B 16 4.439 6.547 -2.367 1.00 0.00 O ATOM 486 C5' C B 16 5.766 7.031 -2.396 1.00 0.00 C ATOM 487 C4' C B 16 6.713 5.940 -1.886 1.00 0.00 C ATOM 488 O4' C B 16 6.428 5.583 -0.540 1.00 0.00 O ATOM 489 C3' C B 16 6.557 4.649 -2.656 1.00 0.00 C ATOM 490 O3' C B 16 7.178 4.684 -3.922 1.00 0.00 O ATOM 491 C2' C B 16 7.224 3.676 -1.734 1.00 0.00 C ATOM 492 O2' C B 16 8.629 3.769 -1.867 1.00 0.00 O ATOM 493 C1' C B 16 6.801 4.205 -0.369 1.00 0.00 C ATOM 494 N1 C B 16 5.650 3.405 0.107 1.00 0.00 N ATOM 495 C2 C B 16 5.924 2.200 0.748 1.00 0.00 C ATOM 496 O2 C B 16 7.085 1.869 0.979 1.00 0.00 O ATOM 497 N3 C B 16 4.877 1.404 1.101 1.00 0.00 N ATOM 498 C4 C B 16 3.616 1.766 0.827 1.00 0.00 C ATOM 499 N4 C B 16 2.617 0.957 1.192 1.00 0.00 N ATOM 500 C5 C B 16 3.325 2.993 0.147 1.00 0.00 C ATOM 501 C6 C B 16 4.369 3.774 -0.185 1.00 0.00 C ATOM 0 H5' C B 16 5.854 7.924 -1.777 1.00 0.00 H new ATOM 0 H5'' C B 16 6.038 7.320 -3.411 1.00 0.00 H new ATOM 0 H4' C B 16 7.710 6.365 -1.999 1.00 0.00 H new ATOM 0 H3' C B 16 5.521 4.409 -2.895 1.00 0.00 H new ATOM 0 H2' C B 16 6.959 2.634 -1.916 1.00 0.00 H new ATOM 0 HO2' C B 16 8.852 4.097 -2.763 1.00 0.00 H new ATOM 0 HO3' C B 16 7.047 3.825 -4.374 1.00 0.00 H new ATOM 0 H1' C B 16 7.604 4.130 0.364 1.00 0.00 H new ATOM 0 H41 C B 16 1.651 1.217 0.991 1.00 0.00 H new ATOM 0 H42 C B 16 2.820 0.080 1.671 1.00 0.00 H new ATOM 0 H5 C B 16 2.311 3.279 -0.089 1.00 0.00 H new ATOM 0 H6 C B 16 4.190 4.711 -0.692 1.00 0.00 H new TER 514 C B 16