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= -0.501 USER MOD Single : A 1 G O5' : rot 180:sc= -0.018 USER MOD Single : A 2 G O2' : rot -23:sc= 0.00178 USER MOD Single : A 3 A O2' : rot 180:sc= -1.03 USER MOD Single : A 4 G O2' : rot -15:sc= -0.633 USER MOD Single : A 5 U O2' : rot -3:sc= 0.132 USER MOD Single : A 6 U O2' : rot -13:sc= -0.542 USER MOD Single : A 7 C O2' : rot -9:sc= -0.41 USER MOD Single : A 8 C O2' : rot -19:sc= 0.182 USER MOD Single : A 8 C O3' : rot 180:sc= 0.185 USER MOD Single : B 9 G O2' : rot -16:sc= 0.064 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00301 USER MOD Single : B 10 G O2' : rot -77:sc= 0.268 USER MOD Single : B 11 A O2' : rot -17:sc= -0.675 USER MOD Single : B 12 G O2' : rot -18:sc= -0.509 USER MOD Single : B 13 U O2' : rot -11:sc= 0.131 USER MOD Single : B 14 U O2' : rot -16:sc= -0.46 USER MOD Single : B 15 C O2' : rot -9:sc= -0.46 USER MOD Single : B 16 C O2' : rot -32:sc= 0.179 USER MOD Single : B 16 C O3' : rot 180:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.711 -7.823 3.551 1.00 0.00 O ATOM 2 C5' G A 1 6.057 -8.213 3.380 1.00 0.00 C ATOM 3 C4' G A 1 6.911 -6.999 3.007 1.00 0.00 C ATOM 4 O4' G A 1 6.490 -6.426 1.768 1.00 0.00 O ATOM 5 C3' G A 1 6.805 -5.876 4.020 1.00 0.00 C ATOM 6 O3' G A 1 7.584 -6.104 5.178 1.00 0.00 O ATOM 7 C2' G A 1 7.339 -4.732 3.198 1.00 0.00 C ATOM 8 O2' G A 1 8.742 -4.834 3.074 1.00 0.00 O ATOM 9 C1' G A 1 6.709 -5.006 1.842 1.00 0.00 C ATOM 10 N9 G A 1 5.423 -4.287 1.735 1.00 0.00 N ATOM 11 C8 G A 1 4.147 -4.764 1.897 1.00 0.00 C ATOM 12 N7 G A 1 3.220 -3.862 1.731 1.00 0.00 N ATOM 13 C5 G A 1 3.931 -2.701 1.439 1.00 0.00 C ATOM 14 C6 G A 1 3.460 -1.384 1.161 1.00 0.00 C ATOM 15 O6 G A 1 2.300 -0.982 1.119 1.00 0.00 O ATOM 16 N1 G A 1 4.511 -0.506 0.914 1.00 0.00 N ATOM 17 C2 G A 1 5.847 -0.846 0.937 1.00 0.00 C ATOM 18 N2 G A 1 6.721 0.133 0.687 1.00 0.00 N ATOM 19 N3 G A 1 6.291 -2.080 1.197 1.00 0.00 N ATOM 20 C4 G A 1 5.281 -2.953 1.439 1.00 0.00 C ATOM 0 H5' G A 1 6.128 -8.971 2.600 1.00 0.00 H new ATOM 0 H5'' G A 1 6.433 -8.664 4.298 1.00 0.00 H new ATOM 0 H4' G A 1 7.930 -7.384 2.958 1.00 0.00 H new ATOM 0 H3' G A 1 5.804 -5.730 4.425 1.00 0.00 H new ATOM 0 H2' G A 1 7.121 -3.751 3.619 1.00 0.00 H new ATOM 0 HO2' G A 1 9.078 -4.086 2.537 1.00 0.00 H new ATOM 0 HO5' G A 1 4.171 -8.606 3.788 1.00 0.00 H new ATOM 0 H1' G A 1 7.352 -4.668 1.030 1.00 0.00 H new ATOM 0 H8 G A 1 3.930 -5.794 2.140 1.00 0.00 H new ATOM 0 H1 G A 1 4.275 0.463 0.700 1.00 0.00 H new ATOM 0 H21 G A 1 7.722 -0.063 0.691 1.00 0.00 H new ATOM 0 H22 G A 1 6.387 1.077 0.492 1.00 0.00 H new ATOM 33 P G A 2 7.430 -5.152 6.476 1.00 0.00 P ATOM 34 OP1 G A 2 8.342 -5.656 7.526 1.00 0.00 O ATOM 35 OP2 G A 2 5.985 -5.014 6.766 1.00 0.00 O ATOM 36 O5' G A 2 7.980 -3.716 5.982 1.00 0.00 O ATOM 37 C5' G A 2 9.364 -3.486 5.818 1.00 0.00 C ATOM 38 C4' G A 2 9.614 -2.029 5.413 1.00 0.00 C ATOM 39 O4' G A 2 8.998 -1.686 4.168 1.00 0.00 O ATOM 40 C3' G A 2 9.062 -1.039 6.416 1.00 0.00 C ATOM 41 O3' G A 2 9.865 -0.916 7.574 1.00 0.00 O ATOM 42 C2' G A 2 9.102 0.206 5.578 1.00 0.00 C ATOM 43 O2' G A 2 10.442 0.613 5.394 1.00 0.00 O ATOM 44 C1' G A 2 8.571 -0.312 4.258 1.00 0.00 C ATOM 45 N9 G A 2 7.100 -0.268 4.216 1.00 0.00 N ATOM 46 C8 G A 2 6.220 -1.300 4.379 1.00 0.00 C ATOM 47 N7 G A 2 4.971 -0.967 4.211 1.00 0.00 N ATOM 48 C5 G A 2 5.025 0.391 3.908 1.00 0.00 C ATOM 49 C6 G A 2 3.973 1.304 3.602 1.00 0.00 C ATOM 50 O6 G A 2 2.766 1.085 3.546 1.00 0.00 O ATOM 51 N1 G A 2 4.461 2.580 3.344 1.00 0.00 N ATOM 52 C2 G A 2 5.793 2.937 3.364 1.00 0.00 C ATOM 53 N2 G A 2 6.078 4.214 3.089 1.00 0.00 N ATOM 54 N3 G A 2 6.785 2.080 3.641 1.00 0.00 N ATOM 55 C4 G A 2 6.329 0.828 3.905 1.00 0.00 C ATOM 0 H5' G A 2 9.764 -4.156 5.057 1.00 0.00 H new ATOM 0 H5'' G A 2 9.890 -3.708 6.747 1.00 0.00 H new ATOM 0 H4' G A 2 10.700 -1.965 5.349 1.00 0.00 H new ATOM 0 H3' G A 2 8.087 -1.305 6.825 1.00 0.00 H new ATOM 0 H2' G A 2 8.557 1.049 6.002 1.00 0.00 H new ATOM 0 HO2' G A 2 10.996 0.250 6.116 1.00 0.00 H new ATOM 0 H1' G A 2 8.942 0.300 3.436 1.00 0.00 H new ATOM 0 H8 G A 2 6.532 -2.304 4.626 1.00 0.00 H new ATOM 0 H1 G A 2 3.782 3.308 3.123 1.00 0.00 H new ATOM 0 H21 G A 2 7.047 4.532 3.090 1.00 0.00 H new ATOM 0 H22 G A 2 5.326 4.870 2.878 1.00 0.00 H new ATOM 67 P A A 3 9.290 -0.193 8.903 1.00 0.00 P ATOM 68 OP1 A A 3 10.381 -0.133 9.901 1.00 0.00 O ATOM 69 OP2 A A 3 8.010 -0.845 9.255 1.00 0.00 O ATOM 70 O5' A A 3 8.966 1.314 8.423 1.00 0.00 O ATOM 71 C5' A A 3 9.997 2.262 8.246 1.00 0.00 C ATOM 72 C4' A A 3 9.400 3.605 7.819 1.00 0.00 C ATOM 73 O4' A A 3 8.679 3.517 6.595 1.00 0.00 O ATOM 74 C3' A A 3 8.430 4.157 8.840 1.00 0.00 C ATOM 75 O3' A A 3 9.102 4.762 9.928 1.00 0.00 O ATOM 76 C2' A A 3 7.694 5.174 7.998 1.00 0.00 C ATOM 77 O2' A A 3 8.510 6.308 7.795 1.00 0.00 O ATOM 78 C1' A A 3 7.580 4.440 6.657 1.00 0.00 C ATOM 79 N9 A A 3 6.334 3.670 6.601 1.00 0.00 N ATOM 80 C8 A A 3 6.169 2.325 6.757 1.00 0.00 C ATOM 81 N7 A A 3 4.933 1.924 6.637 1.00 0.00 N ATOM 82 C5 A A 3 4.233 3.096 6.365 1.00 0.00 C ATOM 83 C6 A A 3 2.876 3.359 6.108 1.00 0.00 C ATOM 84 N6 A A 3 1.932 2.412 6.111 1.00 0.00 N ATOM 85 N1 A A 3 2.528 4.631 5.837 1.00 0.00 N ATOM 86 C2 A A 3 3.468 5.573 5.830 1.00 0.00 C ATOM 87 N3 A A 3 4.768 5.454 6.062 1.00 0.00 N ATOM 88 C4 A A 3 5.086 4.165 6.327 1.00 0.00 C ATOM 0 H5' A A 3 10.701 1.910 7.492 1.00 0.00 H new ATOM 0 H5'' A A 3 10.557 2.381 9.174 1.00 0.00 H new ATOM 0 H4' A A 3 10.264 4.260 7.712 1.00 0.00 H new ATOM 0 H3' A A 3 7.791 3.410 9.310 1.00 0.00 H new ATOM 0 H2' A A 3 6.753 5.505 8.437 1.00 0.00 H new ATOM 0 HO2' A A 3 8.029 6.963 7.248 1.00 0.00 H new ATOM 0 H1' A A 3 7.591 5.155 5.834 1.00 0.00 H new ATOM 0 H8 A A 3 6.988 1.652 6.962 1.00 0.00 H new ATOM 0 H61 A A 3 0.961 2.659 5.918 1.00 0.00 H new ATOM 0 H62 A A 3 2.183 1.443 6.307 1.00 0.00 H new ATOM 0 H2 A A 3 3.125 6.572 5.604 1.00 0.00 H new ATOM 100 P G A 4 8.325 5.087 11.302 1.00 0.00 P ATOM 101 OP1 G A 4 9.247 5.835 12.186 1.00 0.00 O ATOM 102 OP2 G A 4 7.705 3.833 11.781 1.00 0.00 O ATOM 103 O5' G A 4 7.148 6.083 10.849 1.00 0.00 O ATOM 104 C5' G A 4 7.415 7.425 10.497 1.00 0.00 C ATOM 105 C4' G A 4 6.117 8.110 10.143 1.00 0.00 C ATOM 106 O4' G A 4 5.520 7.505 9.009 1.00 0.00 O ATOM 107 C3' G A 4 5.101 7.979 11.229 1.00 0.00 C ATOM 108 O3' G A 4 5.364 8.846 12.318 1.00 0.00 O ATOM 109 C2' G A 4 3.886 8.403 10.451 1.00 0.00 C ATOM 110 O2' G A 4 3.904 9.802 10.234 1.00 0.00 O ATOM 111 C1' G A 4 4.116 7.705 9.123 1.00 0.00 C ATOM 112 N9 G A 4 3.401 6.413 9.078 1.00 0.00 N ATOM 113 C8 G A 4 3.898 5.143 9.214 1.00 0.00 C ATOM 114 N7 G A 4 2.997 4.205 9.085 1.00 0.00 N ATOM 115 C5 G A 4 1.815 4.906 8.850 1.00 0.00 C ATOM 116 C6 G A 4 0.484 4.429 8.631 1.00 0.00 C ATOM 117 O6 G A 4 0.076 3.269 8.587 1.00 0.00 O ATOM 118 N1 G A 4 -0.406 5.478 8.459 1.00 0.00 N ATOM 119 C2 G A 4 -0.077 6.813 8.474 1.00 0.00 C ATOM 120 N2 G A 4 -1.079 7.679 8.283 1.00 0.00 N ATOM 121 N3 G A 4 1.164 7.265 8.665 1.00 0.00 N ATOM 122 C4 G A 4 2.056 6.260 8.850 1.00 0.00 C ATOM 0 H5' G A 4 8.103 7.463 9.652 1.00 0.00 H new ATOM 0 H5'' G A 4 7.899 7.942 11.325 1.00 0.00 H new ATOM 0 H4' G A 4 6.378 9.154 9.969 1.00 0.00 H new ATOM 0 H3' G A 4 5.043 7.000 11.704 1.00 0.00 H new ATOM 0 H2' G A 4 2.944 8.165 10.946 1.00 0.00 H new ATOM 0 HO2' G A 4 4.556 10.218 10.836 1.00 0.00 H new ATOM 0 H1' G A 4 3.736 8.305 8.296 1.00 0.00 H new ATOM 0 H8 G A 4 4.940 4.936 9.410 1.00 0.00 H new ATOM 0 H1 G A 4 -1.386 5.240 8.309 1.00 0.00 H new ATOM 0 H21 G A 4 -0.893 8.682 8.284 1.00 0.00 H new ATOM 0 H22 G A 4 -2.028 7.336 8.136 1.00 0.00 H new ATOM 134 P U A 5 4.642 8.634 13.746 1.00 0.00 P ATOM 135 OP1 U A 5 4.941 9.809 14.593 1.00 0.00 O ATOM 136 OP2 U A 5 4.981 7.277 14.227 1.00 0.00 O ATOM 137 O5' U A 5 3.073 8.655 13.392 1.00 0.00 O ATOM 138 C5' U A 5 2.404 9.854 13.061 1.00 0.00 C ATOM 139 C4' U A 5 0.944 9.528 12.735 1.00 0.00 C ATOM 140 O4' U A 5 0.839 8.621 11.641 1.00 0.00 O ATOM 141 C3' U A 5 0.261 8.849 13.910 1.00 0.00 C ATOM 142 O3' U A 5 -0.237 9.784 14.858 1.00 0.00 O ATOM 143 C2' U A 5 -0.840 8.096 13.239 1.00 0.00 C ATOM 144 O2' U A 5 -1.941 8.952 13.015 1.00 0.00 O ATOM 145 C1' U A 5 -0.236 7.711 11.905 1.00 0.00 C ATOM 146 N1 U A 5 0.264 6.317 11.912 1.00 0.00 N ATOM 147 C2 U A 5 -0.654 5.313 11.648 1.00 0.00 C ATOM 148 O2 U A 5 -1.842 5.554 11.455 1.00 0.00 O ATOM 149 N3 U A 5 -0.156 4.018 11.609 1.00 0.00 N ATOM 150 C4 U A 5 1.177 3.659 11.767 1.00 0.00 C ATOM 151 O4 U A 5 1.518 2.481 11.718 1.00 0.00 O ATOM 152 C5 U A 5 2.067 4.785 11.978 1.00 0.00 C ATOM 153 C6 U A 5 1.593 6.041 12.046 1.00 0.00 C ATOM 0 H5' U A 5 2.884 10.331 12.207 1.00 0.00 H new ATOM 0 H5'' U A 5 2.458 10.558 13.891 1.00 0.00 H new ATOM 0 H4' U A 5 0.473 10.481 12.496 1.00 0.00 H new ATOM 0 H3' U A 5 0.931 8.218 14.494 1.00 0.00 H new ATOM 0 H2' U A 5 -1.194 7.247 13.824 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.748 9.837 13.388 1.00 0.00 H new ATOM 0 H1' U A 5 -0.999 7.769 11.128 1.00 0.00 H new ATOM 0 H3 U A 5 -0.826 3.265 11.451 1.00 0.00 H new ATOM 0 H5 U A 5 3.128 4.611 12.082 1.00 0.00 H new ATOM 0 H6 U A 5 2.284 6.854 12.211 1.00 0.00 H new ATOM 164 P U A 6 -0.845 9.293 16.279 1.00 0.00 P ATOM 165 OP1 U A 6 -1.019 10.487 17.136 1.00 0.00 O ATOM 166 OP2 U A 6 -0.015 8.166 16.757 1.00 0.00 O ATOM 167 O5' U A 6 -2.320 8.713 15.928 1.00 0.00 O ATOM 168 C5' U A 6 -3.432 9.579 15.744 1.00 0.00 C ATOM 169 C4' U A 6 -4.723 8.747 15.600 1.00 0.00 C ATOM 170 O4' U A 6 -4.705 7.946 14.425 1.00 0.00 O ATOM 171 C3' U A 6 -4.914 7.780 16.756 1.00 0.00 C ATOM 172 O3' U A 6 -5.458 8.395 17.908 1.00 0.00 O ATOM 173 C2' U A 6 -5.894 6.826 16.136 1.00 0.00 C ATOM 174 O2' U A 6 -7.176 7.416 16.096 1.00 0.00 O ATOM 175 C1' U A 6 -5.380 6.714 14.720 1.00 0.00 C ATOM 176 N1 U A 6 -4.433 5.588 14.588 1.00 0.00 N ATOM 177 C2 U A 6 -4.946 4.309 14.426 1.00 0.00 C ATOM 178 O2 U A 6 -6.150 4.071 14.481 1.00 0.00 O ATOM 179 N3 U A 6 -4.015 3.307 14.189 1.00 0.00 N ATOM 180 C4 U A 6 -2.642 3.481 14.085 1.00 0.00 C ATOM 181 O4 U A 6 -1.904 2.525 13.867 1.00 0.00 O ATOM 182 C5 U A 6 -2.209 4.849 14.252 1.00 0.00 C ATOM 183 C6 U A 6 -3.102 5.829 14.500 1.00 0.00 C ATOM 0 H5' U A 6 -3.283 10.193 14.856 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.519 10.259 16.591 1.00 0.00 H new ATOM 0 H4' U A 6 -5.528 9.481 15.569 1.00 0.00 H new ATOM 0 H3' U A 6 -3.988 7.337 17.121 1.00 0.00 H new ATOM 0 H2' U A 6 -5.976 5.880 16.670 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.183 8.221 16.655 1.00 0.00 H new ATOM 0 H1' U A 6 -6.206 6.532 14.032 1.00 0.00 H new ATOM 0 H3 U A 6 -4.372 2.358 14.082 1.00 0.00 H new ATOM 0 H5 U A 6 -1.159 5.090 14.177 1.00 0.00 H new ATOM 0 H6 U A 6 -2.745 6.839 14.633 1.00 0.00 H new ATOM 194 P C A 7 -5.498 7.608 19.321 1.00 0.00 P ATOM 195 OP1 C A 7 -6.215 8.457 20.299 1.00 0.00 O ATOM 196 OP2 C A 7 -4.124 7.148 19.620 1.00 0.00 O ATOM 197 O5' C A 7 -6.406 6.301 19.029 1.00 0.00 O ATOM 198 C5' C A 7 -7.818 6.381 18.969 1.00 0.00 C ATOM 199 C4' C A 7 -8.402 4.978 18.747 1.00 0.00 C ATOM 200 O4' C A 7 -7.948 4.389 17.522 1.00 0.00 O ATOM 201 C3' C A 7 -7.972 4.016 19.833 1.00 0.00 C ATOM 202 O3' C A 7 -8.714 4.182 21.028 1.00 0.00 O ATOM 203 C2' C A 7 -8.284 2.707 19.156 1.00 0.00 C ATOM 204 O2' C A 7 -9.677 2.484 19.173 1.00 0.00 O ATOM 205 C1' C A 7 -7.860 2.962 17.722 1.00 0.00 C ATOM 206 N1 C A 7 -6.474 2.482 17.477 1.00 0.00 N ATOM 207 C2 C A 7 -6.303 1.135 17.164 1.00 0.00 C ATOM 208 O2 C A 7 -7.266 0.372 17.160 1.00 0.00 O ATOM 209 N3 C A 7 -5.048 0.696 16.862 1.00 0.00 N ATOM 210 C4 C A 7 -4.005 1.538 16.866 1.00 0.00 C ATOM 211 N4 C A 7 -2.793 1.067 16.551 1.00 0.00 N ATOM 212 C5 C A 7 -4.169 2.926 17.187 1.00 0.00 C ATOM 213 C6 C A 7 -5.416 3.343 17.482 1.00 0.00 C ATOM 0 H5' C A 7 -8.121 7.045 18.159 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.208 6.807 19.893 1.00 0.00 H new ATOM 0 H4' C A 7 -9.482 5.125 18.739 1.00 0.00 H new ATOM 0 H3' C A 7 -6.940 4.134 20.162 1.00 0.00 H new ATOM 0 H2' C A 7 -7.797 1.853 19.626 1.00 0.00 H new ATOM 0 HO2' C A 7 -10.109 3.154 19.744 1.00 0.00 H new ATOM 0 H1' C A 7 -8.502 2.422 17.026 1.00 0.00 H new ATOM 0 H41 C A 7 -1.987 1.693 16.549 1.00 0.00 H new ATOM 0 H42 C A 7 -2.675 0.082 16.313 1.00 0.00 H new ATOM 0 H5 C A 7 -3.331 3.607 17.192 1.00 0.00 H new ATOM 0 H6 C A 7 -5.581 4.382 17.728 1.00 0.00 H new ATOM 225 P C A 8 -8.254 3.452 22.393 1.00 0.00 P ATOM 226 OP1 C A 8 -9.263 3.743 23.436 1.00 0.00 O ATOM 227 OP2 C A 8 -6.834 3.790 22.633 1.00 0.00 O ATOM 228 O5' C A 8 -8.337 1.884 22.038 1.00 0.00 O ATOM 229 C5' C A 8 -9.575 1.204 22.001 1.00 0.00 C ATOM 230 C4' C A 8 -9.329 -0.253 21.600 1.00 0.00 C ATOM 231 O4' C A 8 -8.727 -0.348 20.311 1.00 0.00 O ATOM 232 C3' C A 8 -8.356 -0.933 22.536 1.00 0.00 C ATOM 233 O3' C A 8 -8.963 -1.342 23.744 1.00 0.00 O ATOM 234 C2' C A 8 -7.938 -2.114 21.700 1.00 0.00 C ATOM 235 O2' C A 8 -8.916 -3.128 21.789 1.00 0.00 O ATOM 236 C1' C A 8 -7.926 -1.543 20.283 1.00 0.00 C ATOM 237 N1 C A 8 -6.523 -1.224 19.917 1.00 0.00 N ATOM 238 C2 C A 8 -5.742 -2.243 19.385 1.00 0.00 C ATOM 239 O2 C A 8 -6.230 -3.350 19.169 1.00 0.00 O ATOM 240 N3 C A 8 -4.430 -1.980 19.122 1.00 0.00 N ATOM 241 C4 C A 8 -3.906 -0.772 19.375 1.00 0.00 C ATOM 242 N4 C A 8 -2.616 -0.555 19.100 1.00 0.00 N ATOM 243 C5 C A 8 -4.697 0.279 19.939 1.00 0.00 C ATOM 244 C6 C A 8 -5.993 0.000 20.189 1.00 0.00 C ATOM 0 H5' C A 8 -10.247 1.683 21.289 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.060 1.250 22.976 1.00 0.00 H new ATOM 0 H4' C A 8 -10.311 -0.725 21.625 1.00 0.00 H new ATOM 0 H3' C A 8 -7.538 -0.292 22.864 1.00 0.00 H new ATOM 0 H2' C A 8 -6.986 -2.549 22.006 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.471 -2.978 22.583 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.296 -1.777 24.315 1.00 0.00 H new ATOM 0 H1' C A 8 -8.324 -2.245 19.551 1.00 0.00 H new ATOM 0 H41 C A 8 -2.201 0.358 19.286 1.00 0.00 H new ATOM 0 H42 C A 8 -2.046 -1.303 18.704 1.00 0.00 H new ATOM 0 H5 C A 8 -4.276 1.250 20.154 1.00 0.00 H new ATOM 0 H6 C A 8 -6.625 0.766 20.615 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.439 -8.947 16.483 1.00 0.00 O ATOM 259 C5' G B 9 2.878 -10.176 16.887 1.00 0.00 C ATOM 260 C4' G B 9 1.414 -9.976 17.286 1.00 0.00 C ATOM 261 O4' G B 9 1.290 -9.063 18.375 1.00 0.00 O ATOM 262 C3' G B 9 0.579 -9.370 16.176 1.00 0.00 C ATOM 263 O3' G B 9 0.231 -10.305 15.173 1.00 0.00 O ATOM 264 C2' G B 9 -0.622 -8.944 16.975 1.00 0.00 C ATOM 265 O2' G B 9 -1.379 -10.084 17.317 1.00 0.00 O ATOM 266 C1' G B 9 0.017 -8.407 18.246 1.00 0.00 C ATOM 267 N9 G B 9 0.201 -6.946 18.153 1.00 0.00 N ATOM 268 C8 G B 9 1.338 -6.229 17.879 1.00 0.00 C ATOM 269 N7 G B 9 1.169 -4.937 17.913 1.00 0.00 N ATOM 270 C5 G B 9 -0.178 -4.784 18.231 1.00 0.00 C ATOM 271 C6 G B 9 -0.949 -3.599 18.415 1.00 0.00 C ATOM 272 O6 G B 9 -0.580 -2.430 18.336 1.00 0.00 O ATOM 273 N1 G B 9 -2.273 -3.893 18.724 1.00 0.00 N ATOM 274 C2 G B 9 -2.794 -5.164 18.844 1.00 0.00 C ATOM 275 N2 G B 9 -4.095 -5.256 19.133 1.00 0.00 N ATOM 276 N3 G B 9 -2.072 -6.276 18.681 1.00 0.00 N ATOM 277 C4 G B 9 -0.777 -6.011 18.375 1.00 0.00 C ATOM 0 H5' G B 9 3.440 -10.583 17.727 1.00 0.00 H new ATOM 0 H5'' G B 9 2.947 -10.901 16.076 1.00 0.00 H new ATOM 0 H4' G B 9 1.063 -10.977 17.539 1.00 0.00 H new ATOM 0 H3' G B 9 1.079 -8.582 15.614 1.00 0.00 H new ATOM 0 H2' G B 9 -1.272 -8.241 16.454 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.104 -10.839 16.756 1.00 0.00 H new ATOM 0 HO5' G B 9 4.376 -9.082 16.231 1.00 0.00 H new ATOM 0 H1' G B 9 -0.615 -8.601 19.113 1.00 0.00 H new ATOM 0 H8 G B 9 2.287 -6.693 17.655 1.00 0.00 H new ATOM 0 H1 G B 9 -2.907 -3.108 18.873 1.00 0.00 H new ATOM 0 H21 G B 9 -4.532 -6.172 19.233 1.00 0.00 H new ATOM 0 H22 G B 9 -4.652 -4.410 19.254 1.00 0.00 H new ATOM 290 P G B 10 -0.431 -9.812 13.782 1.00 0.00 P ATOM 291 OP1 G B 10 -0.653 -11.004 12.934 1.00 0.00 O ATOM 292 OP2 G B 10 0.384 -8.690 13.268 1.00 0.00 O ATOM 293 O5' G B 10 -1.878 -9.224 14.207 1.00 0.00 O ATOM 294 C5' G B 10 -2.976 -10.084 14.453 1.00 0.00 C ATOM 295 C4' G B 10 -4.251 -9.258 14.650 1.00 0.00 C ATOM 296 O4' G B 10 -4.182 -8.378 15.767 1.00 0.00 O ATOM 297 C3' G B 10 -4.546 -8.383 13.455 1.00 0.00 C ATOM 298 O3' G B 10 -5.122 -9.121 12.396 1.00 0.00 O ATOM 299 C2' G B 10 -5.510 -7.398 14.048 1.00 0.00 C ATOM 300 O2' G B 10 -6.784 -7.996 14.176 1.00 0.00 O ATOM 301 C1' G B 10 -4.923 -7.189 15.436 1.00 0.00 C ATOM 302 N9 G B 10 -4.005 -6.044 15.472 1.00 0.00 N ATOM 303 C8 G B 10 -2.641 -6.054 15.428 1.00 0.00 C ATOM 304 N7 G B 10 -2.096 -4.875 15.563 1.00 0.00 N ATOM 305 C5 G B 10 -3.187 -4.021 15.728 1.00 0.00 C ATOM 306 C6 G B 10 -3.227 -2.612 15.958 1.00 0.00 C ATOM 307 O6 G B 10 -2.289 -1.820 16.022 1.00 0.00 O ATOM 308 N1 G B 10 -4.531 -2.157 16.127 1.00 0.00 N ATOM 309 C2 G B 10 -5.657 -2.949 16.074 1.00 0.00 C ATOM 310 N2 G B 10 -6.832 -2.337 16.254 1.00 0.00 N ATOM 311 N3 G B 10 -5.625 -4.268 15.852 1.00 0.00 N ATOM 312 C4 G B 10 -4.360 -4.735 15.691 1.00 0.00 C ATOM 0 H5' G B 10 -2.784 -10.689 15.339 1.00 0.00 H new ATOM 0 H5'' G B 10 -3.104 -10.773 13.618 1.00 0.00 H new ATOM 0 H4' G B 10 -5.029 -10.006 14.804 1.00 0.00 H new ATOM 0 H3' G B 10 -3.666 -7.925 13.005 1.00 0.00 H new ATOM 0 H2' G B 10 -5.632 -6.488 13.461 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.221 -8.027 13.299 1.00 0.00 H new ATOM 0 H1' G B 10 -5.731 -6.993 16.141 1.00 0.00 H new ATOM 0 H8 G B 10 -2.064 -6.957 15.293 1.00 0.00 H new ATOM 0 H1 G B 10 -4.663 -1.161 16.304 1.00 0.00 H new ATOM 0 H21 G B 10 -7.698 -2.876 16.225 1.00 0.00 H new ATOM 0 H22 G B 10 -6.863 -1.331 16.421 1.00 0.00 H new ATOM 324 P A B 11 -5.436 -8.420 10.989 1.00 0.00 P ATOM 325 OP1 A B 11 -5.991 -9.439 10.071 1.00 0.00 O ATOM 326 OP2 A B 11 -4.245 -7.637 10.591 1.00 0.00 O ATOM 327 O5' A B 11 -6.613 -7.392 11.372 1.00 0.00 O ATOM 328 C5' A B 11 -6.759 -6.190 10.663 1.00 0.00 C ATOM 329 C4' A B 11 -7.907 -5.359 11.239 1.00 0.00 C ATOM 330 O4' A B 11 -7.685 -4.991 12.604 1.00 0.00 O ATOM 331 C3' A B 11 -8.016 -4.077 10.444 1.00 0.00 C ATOM 332 O3' A B 11 -8.917 -4.225 9.365 1.00 0.00 O ATOM 333 C2' A B 11 -8.519 -3.086 11.461 1.00 0.00 C ATOM 334 O2' A B 11 -9.910 -3.251 11.641 1.00 0.00 O ATOM 335 C1' A B 11 -7.817 -3.570 12.731 1.00 0.00 C ATOM 336 N9 A B 11 -6.469 -2.996 12.845 1.00 0.00 N ATOM 337 C8 A B 11 -5.269 -3.645 12.770 1.00 0.00 C ATOM 338 N7 A B 11 -4.234 -2.870 12.944 1.00 0.00 N ATOM 339 C5 A B 11 -4.796 -1.619 13.182 1.00 0.00 C ATOM 340 C6 A B 11 -4.235 -0.365 13.481 1.00 0.00 C ATOM 341 N6 A B 11 -2.917 -0.153 13.554 1.00 0.00 N ATOM 342 N1 A B 11 -5.079 0.656 13.725 1.00 0.00 N ATOM 343 C2 A B 11 -6.391 0.439 13.664 1.00 0.00 C ATOM 344 N3 A B 11 -7.038 -0.685 13.382 1.00 0.00 N ATOM 345 C4 A B 11 -6.162 -1.691 13.148 1.00 0.00 C ATOM 0 H5' A B 11 -6.950 -6.403 9.611 1.00 0.00 H new ATOM 0 H5'' A B 11 -5.831 -5.620 10.709 1.00 0.00 H new ATOM 0 H4' A B 11 -8.810 -5.967 11.183 1.00 0.00 H new ATOM 0 H3' A B 11 -7.076 -3.769 9.987 1.00 0.00 H new ATOM 0 H2' A B 11 -8.336 -2.046 11.192 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.277 -3.770 10.895 1.00 0.00 H new ATOM 0 H1' A B 11 -8.391 -3.273 13.609 1.00 0.00 H new ATOM 0 H8 A B 11 -5.185 -4.705 12.583 1.00 0.00 H new ATOM 0 H61 A B 11 -2.562 0.777 13.775 1.00 0.00 H new ATOM 0 H62 A B 11 -2.267 -0.922 13.389 1.00 0.00 H new ATOM 0 H2 A B 11 -7.015 1.296 13.873 1.00 0.00 H new ATOM 357 P G B 12 -8.836 -3.265 8.082 1.00 0.00 P ATOM 358 OP1 G B 12 -10.035 -3.503 7.249 1.00 0.00 O ATOM 359 OP2 G B 12 -7.488 -3.415 7.490 1.00 0.00 O ATOM 360 O5' G B 12 -8.941 -1.792 8.708 1.00 0.00 O ATOM 361 C5' G B 12 -10.171 -1.261 9.159 1.00 0.00 C ATOM 362 C4' G B 12 -9.933 0.165 9.594 1.00 0.00 C ATOM 363 O4' G B 12 -9.052 0.213 10.703 1.00 0.00 O ATOM 364 C3' G B 12 -9.246 0.947 8.527 1.00 0.00 C ATOM 365 O3' G B 12 -10.127 1.302 7.475 1.00 0.00 O ATOM 366 C2' G B 12 -8.833 2.131 9.350 1.00 0.00 C ATOM 367 O2' G B 12 -9.965 2.922 9.652 1.00 0.00 O ATOM 368 C1' G B 12 -8.364 1.455 10.627 1.00 0.00 C ATOM 369 N9 G B 12 -6.903 1.238 10.603 1.00 0.00 N ATOM 370 C8 G B 12 -6.200 0.075 10.412 1.00 0.00 C ATOM 371 N7 G B 12 -4.905 0.218 10.506 1.00 0.00 N ATOM 372 C5 G B 12 -4.736 1.575 10.772 1.00 0.00 C ATOM 373 C6 G B 12 -3.543 2.334 10.977 1.00 0.00 C ATOM 374 O6 G B 12 -2.373 1.950 10.980 1.00 0.00 O ATOM 375 N1 G B 12 -3.828 3.674 11.189 1.00 0.00 N ATOM 376 C2 G B 12 -5.087 4.225 11.223 1.00 0.00 C ATOM 377 N2 G B 12 -5.157 5.542 11.446 1.00 0.00 N ATOM 378 N3 G B 12 -6.206 3.520 11.049 1.00 0.00 N ATOM 379 C4 G B 12 -5.957 2.206 10.824 1.00 0.00 C ATOM 0 H5' G B 12 -10.560 -1.852 9.988 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.916 -1.298 8.364 1.00 0.00 H new ATOM 0 H4' G B 12 -10.915 0.575 9.829 1.00 0.00 H new ATOM 0 H3' G B 12 -8.439 0.432 8.005 1.00 0.00 H new ATOM 0 H2' G B 12 -8.099 2.776 8.867 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.696 2.695 9.040 1.00 0.00 H new ATOM 0 H1' G B 12 -8.576 2.077 11.496 1.00 0.00 H new ATOM 0 H8 G B 12 -6.674 -0.872 10.203 1.00 0.00 H new ATOM 0 H1 G B 12 -3.038 4.303 11.332 1.00 0.00 H new ATOM 0 H21 G B 12 -6.065 6.006 11.482 1.00 0.00 H new ATOM 0 H22 G B 12 -4.303 6.083 11.580 1.00 0.00 H new ATOM 391 P U B 13 -9.564 1.802 6.051 1.00 0.00 P ATOM 392 OP1 U B 13 -10.705 2.302 5.253 1.00 0.00 O ATOM 393 OP2 U B 13 -8.697 0.736 5.505 1.00 0.00 O ATOM 394 O5' U B 13 -8.629 3.053 6.429 1.00 0.00 O ATOM 395 C5' U B 13 -9.176 4.291 6.830 1.00 0.00 C ATOM 396 C4' U B 13 -8.026 5.253 7.140 1.00 0.00 C ATOM 397 O4' U B 13 -7.199 4.761 8.191 1.00 0.00 O ATOM 398 C3' U B 13 -7.121 5.418 5.933 1.00 0.00 C ATOM 399 O3' U B 13 -7.604 6.399 5.024 1.00 0.00 O ATOM 400 C2' U B 13 -5.832 5.828 6.565 1.00 0.00 C ATOM 401 O2' U B 13 -5.844 7.217 6.825 1.00 0.00 O ATOM 402 C1' U B 13 -5.835 5.079 7.882 1.00 0.00 C ATOM 403 N1 U B 13 -5.026 3.841 7.811 1.00 0.00 N ATOM 404 C2 U B 13 -3.661 3.957 8.030 1.00 0.00 C ATOM 405 O2 U B 13 -3.127 5.044 8.237 1.00 0.00 O ATOM 406 N3 U B 13 -2.930 2.778 8.006 1.00 0.00 N ATOM 407 C4 U B 13 -3.456 1.505 7.825 1.00 0.00 C ATOM 408 O4 U B 13 -2.722 0.520 7.814 1.00 0.00 O ATOM 409 C5 U B 13 -4.899 1.481 7.670 1.00 0.00 C ATOM 410 C6 U B 13 -5.614 2.618 7.664 1.00 0.00 C ATOM 0 H5' U B 13 -9.807 4.159 7.709 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.809 4.699 6.042 1.00 0.00 H new ATOM 0 H4' U B 13 -8.491 6.197 7.424 1.00 0.00 H new ATOM 0 H3' U B 13 -7.045 4.518 5.323 1.00 0.00 H new ATOM 0 H2' U B 13 -4.965 5.616 5.940 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.617 7.626 6.383 1.00 0.00 H new ATOM 0 H1' U B 13 -5.390 5.702 8.658 1.00 0.00 H new ATOM 0 H3 U B 13 -1.921 2.852 8.132 1.00 0.00 H new ATOM 0 H5 U B 13 -5.406 0.534 7.558 1.00 0.00 H new ATOM 0 H6 U B 13 -6.685 2.563 7.539 1.00 0.00 H new ATOM 421 P U B 14 -6.911 6.609 3.573 1.00 0.00 P ATOM 422 OP1 U B 14 -7.791 7.489 2.772 1.00 0.00 O ATOM 423 OP2 U B 14 -6.545 5.274 3.052 1.00 0.00 O ATOM 424 O5' U B 14 -5.538 7.420 3.873 1.00 0.00 O ATOM 425 C5' U B 14 -5.535 8.829 4.056 1.00 0.00 C ATOM 426 C4' U B 14 -4.084 9.341 4.148 1.00 0.00 C ATOM 427 O4' U B 14 -3.423 8.846 5.307 1.00 0.00 O ATOM 428 C3' U B 14 -3.237 8.890 2.969 1.00 0.00 C ATOM 429 O3' U B 14 -3.430 9.680 1.811 1.00 0.00 O ATOM 430 C2' U B 14 -1.866 9.097 3.544 1.00 0.00 C ATOM 431 O2' U B 14 -1.556 10.474 3.561 1.00 0.00 O ATOM 432 C1' U B 14 -2.045 8.629 4.969 1.00 0.00 C ATOM 433 N1 U B 14 -1.725 7.194 5.096 1.00 0.00 N ATOM 434 C2 U B 14 -0.396 6.824 5.231 1.00 0.00 C ATOM 435 O2 U B 14 0.523 7.637 5.166 1.00 0.00 O ATOM 436 N3 U B 14 -0.161 5.475 5.450 1.00 0.00 N ATOM 437 C4 U B 14 -1.127 4.487 5.558 1.00 0.00 C ATOM 438 O4 U B 14 -0.809 3.318 5.758 1.00 0.00 O ATOM 439 C5 U B 14 -2.480 4.972 5.416 1.00 0.00 C ATOM 440 C6 U B 14 -2.723 6.279 5.189 1.00 0.00 C ATOM 0 H5' U B 14 -6.080 9.088 4.964 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.049 9.314 3.226 1.00 0.00 H new ATOM 0 H4' U B 14 -4.173 10.427 4.171 1.00 0.00 H new ATOM 0 H3' U B 14 -3.460 7.881 2.623 1.00 0.00 H new ATOM 0 H2' U B 14 -1.079 8.586 2.990 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.179 10.957 2.978 1.00 0.00 H new ATOM 0 H1' U B 14 -1.377 9.176 5.634 1.00 0.00 H new ATOM 0 H3 U B 14 0.812 5.183 5.540 1.00 0.00 H new ATOM 0 H5 U B 14 -3.306 4.281 5.492 1.00 0.00 H new ATOM 0 H6 U B 14 -3.745 6.608 5.078 1.00 0.00 H new ATOM 451 P C B 15 -2.838 9.204 0.382 1.00 0.00 P ATOM 452 OP1 C B 15 -3.095 10.279 -0.602 1.00 0.00 O ATOM 453 OP2 C B 15 -3.338 7.837 0.121 1.00 0.00 O ATOM 454 O5' C B 15 -1.238 9.110 0.617 1.00 0.00 O ATOM 455 C5' C B 15 -0.425 10.268 0.627 1.00 0.00 C ATOM 456 C4' C B 15 1.049 9.864 0.782 1.00 0.00 C ATOM 457 O4' C B 15 1.299 9.174 2.013 1.00 0.00 O ATOM 458 C3' C B 15 1.489 8.907 -0.308 1.00 0.00 C ATOM 459 O3' C B 15 1.765 9.569 -1.529 1.00 0.00 O ATOM 460 C2' C B 15 2.740 8.347 0.321 1.00 0.00 C ATOM 461 O2' C B 15 3.785 9.293 0.233 1.00 0.00 O ATOM 462 C1' C B 15 2.345 8.206 1.779 1.00 0.00 C ATOM 463 N1 C B 15 1.860 6.831 2.072 1.00 0.00 N ATOM 464 C2 C B 15 2.813 5.855 2.354 1.00 0.00 C ATOM 465 O2 C B 15 4.012 6.124 2.305 1.00 0.00 O ATOM 466 N3 C B 15 2.380 4.606 2.685 1.00 0.00 N ATOM 467 C4 C B 15 1.070 4.324 2.739 1.00 0.00 C ATOM 468 N4 C B 15 0.689 3.088 3.079 1.00 0.00 N ATOM 469 C5 C B 15 0.080 5.321 2.454 1.00 0.00 C ATOM 470 C6 C B 15 0.526 6.550 2.130 1.00 0.00 C ATOM 0 H5' C B 15 -0.720 10.924 1.446 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.563 10.829 -0.297 1.00 0.00 H new ATOM 0 H4' C B 15 1.597 10.805 0.739 1.00 0.00 H new ATOM 0 H3' C B 15 0.741 8.165 -0.587 1.00 0.00 H new ATOM 0 H2' C B 15 3.081 7.424 -0.148 1.00 0.00 H new ATOM 0 HO2' C B 15 3.505 10.038 -0.339 1.00 0.00 H new ATOM 0 H1' C B 15 3.201 8.381 2.431 1.00 0.00 H new ATOM 0 H41 C B 15 -0.303 2.855 3.125 1.00 0.00 H new ATOM 0 H42 C B 15 1.390 2.379 3.292 1.00 0.00 H new ATOM 0 H5 C B 15 -0.976 5.097 2.497 1.00 0.00 H new ATOM 0 H6 C B 15 -0.188 7.330 1.911 1.00 0.00 H new ATOM 482 P C B 16 1.974 8.730 -2.893 1.00 0.00 P ATOM 483 OP1 C B 16 2.329 9.679 -3.971 1.00 0.00 O ATOM 484 OP2 C B 16 0.808 7.834 -3.059 1.00 0.00 O ATOM 485 O5' C B 16 3.263 7.815 -2.588 1.00 0.00 O ATOM 486 C5' C B 16 4.568 8.353 -2.620 1.00 0.00 C ATOM 487 C4' C B 16 5.569 7.254 -2.257 1.00 0.00 C ATOM 488 O4' C B 16 5.328 6.735 -0.953 1.00 0.00 O ATOM 489 C3' C B 16 5.448 6.060 -3.177 1.00 0.00 C ATOM 490 O3' C B 16 6.081 6.273 -4.421 1.00 0.00 O ATOM 491 C2' C B 16 6.149 5.000 -2.365 1.00 0.00 C ATOM 492 O2' C B 16 7.548 5.104 -2.538 1.00 0.00 O ATOM 493 C1' C B 16 5.785 5.372 -0.927 1.00 0.00 C ATOM 494 N1 C B 16 4.705 4.464 -0.468 1.00 0.00 N ATOM 495 C2 C B 16 5.074 3.225 0.044 1.00 0.00 C ATOM 496 O2 C B 16 6.261 2.934 0.173 1.00 0.00 O ATOM 497 N3 C B 16 4.086 2.349 0.388 1.00 0.00 N ATOM 498 C4 C B 16 2.794 2.673 0.232 1.00 0.00 C ATOM 499 N4 C B 16 1.858 1.787 0.584 1.00 0.00 N ATOM 500 C5 C B 16 2.404 3.940 -0.310 1.00 0.00 C ATOM 501 C6 C B 16 3.395 4.794 -0.641 1.00 0.00 C ATOM 0 H5' C B 16 4.650 9.184 -1.919 1.00 0.00 H new ATOM 0 H5'' C B 16 4.787 8.750 -3.611 1.00 0.00 H new ATOM 0 H4' C B 16 6.548 7.726 -2.333 1.00 0.00 H new ATOM 0 H3' C B 16 4.422 5.815 -3.452 1.00 0.00 H new ATOM 0 H2' C B 16 5.864 3.985 -2.643 1.00 0.00 H new ATOM 0 HO2' C B 16 7.743 5.419 -3.445 1.00 0.00 H new ATOM 0 HO3' C B 16 5.979 5.475 -4.981 1.00 0.00 H new ATOM 0 H1' C B 16 6.631 5.275 -0.247 1.00 0.00 H new ATOM 0 H41 C B 16 0.871 2.017 0.472 1.00 0.00 H new ATOM 0 H42 C B 16 2.131 0.881 0.965 1.00 0.00 H new ATOM 0 H5 C B 16 1.365 4.200 -0.447 1.00 0.00 H new ATOM 0 H6 C B 16 3.144 5.761 -1.052 1.00 0.00 H new TER 514 C B 16