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= -0.491 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.537 USER MOD Single : A 3 A O2' : rot -11:sc= -0.915 USER MOD Single : A 4 G O2' : rot -17:sc= -0.585 USER MOD Single : A 5 U O2' : rot -18:sc= 0.185 USER MOD Single : A 6 U O2' : rot -16:sc= -0.431 USER MOD Single : A 7 C O2' : rot -6:sc= -0.469 USER MOD Single : A 8 C O2' : rot -27:sc= 0.2 USER MOD Single : A 8 C O3' : rot 180:sc= 0.207 USER MOD Single : B 9 G O2' : rot 180:sc= -0.474 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00387 USER MOD Single : B 10 G O2' : rot 180:sc= -0.522 USER MOD Single : B 11 A O2' : rot -11:sc= -0.949 USER MOD Single : B 12 G O2' : rot -25:sc= -0.619 USER MOD Single : B 13 U O2' : rot -7:sc= 0.134 USER MOD Single : B 14 U O2' : rot -14:sc= -0.473 USER MOD Single : B 15 C O2' : rot -8:sc= -0.45 USER MOD Single : B 16 C O2' : rot -26:sc= 0.173 USER MOD Single : B 16 C O3' : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.107 -8.080 3.805 1.00 0.00 O ATOM 2 C5' G A 1 6.484 -8.347 3.654 1.00 0.00 C ATOM 3 C4' G A 1 7.228 -7.061 3.288 1.00 0.00 C ATOM 4 O4' G A 1 6.755 -6.513 2.057 1.00 0.00 O ATOM 5 C3' G A 1 7.031 -5.955 4.304 1.00 0.00 C ATOM 6 O3' G A 1 7.795 -6.138 5.480 1.00 0.00 O ATOM 7 C2' G A 1 7.514 -4.782 3.494 1.00 0.00 C ATOM 8 O2' G A 1 8.922 -4.814 3.398 1.00 0.00 O ATOM 9 C1' G A 1 6.931 -5.086 2.123 1.00 0.00 C ATOM 10 N9 G A 1 5.632 -4.399 1.972 1.00 0.00 N ATOM 11 C8 G A 1 4.363 -4.902 2.105 1.00 0.00 C ATOM 12 N7 G A 1 3.421 -4.022 1.905 1.00 0.00 N ATOM 13 C5 G A 1 4.114 -2.849 1.620 1.00 0.00 C ATOM 14 C6 G A 1 3.624 -1.545 1.316 1.00 0.00 C ATOM 15 O6 G A 1 2.457 -1.168 1.240 1.00 0.00 O ATOM 16 N1 G A 1 4.663 -0.647 1.090 1.00 0.00 N ATOM 17 C2 G A 1 6.004 -0.959 1.152 1.00 0.00 C ATOM 18 N2 G A 1 6.864 0.037 0.915 1.00 0.00 N ATOM 19 N3 G A 1 6.467 -2.180 1.436 1.00 0.00 N ATOM 20 C4 G A 1 5.469 -3.073 1.658 1.00 0.00 C ATOM 0 H5' G A 1 6.635 -9.098 2.878 1.00 0.00 H new ATOM 0 H5'' G A 1 6.887 -8.759 4.579 1.00 0.00 H new ATOM 0 H4' G A 1 8.274 -7.363 3.235 1.00 0.00 H new ATOM 0 H3' G A 1 6.015 -5.873 4.691 1.00 0.00 H new ATOM 0 H2' G A 1 7.231 -3.815 3.910 1.00 0.00 H new ATOM 0 HO2' G A 1 9.231 -4.049 2.869 1.00 0.00 H new ATOM 0 HO5' G A 1 4.637 -8.908 4.037 1.00 0.00 H new ATOM 0 H1' G A 1 7.587 -4.740 1.324 1.00 0.00 H new ATOM 0 H8 G A 1 4.162 -5.934 2.353 1.00 0.00 H new ATOM 0 H1 G A 1 4.413 0.315 0.861 1.00 0.00 H new ATOM 0 H21 G A 1 7.868 -0.138 0.948 1.00 0.00 H new ATOM 0 H22 G A 1 6.516 0.972 0.701 1.00 0.00 H new ATOM 33 P G A 2 7.568 -5.185 6.765 1.00 0.00 P ATOM 34 OP1 G A 2 8.461 -5.654 7.848 1.00 0.00 O ATOM 35 OP2 G A 2 6.111 -5.090 7.007 1.00 0.00 O ATOM 36 O5' G A 2 8.089 -3.736 6.277 1.00 0.00 O ATOM 37 C5' G A 2 9.470 -3.470 6.145 1.00 0.00 C ATOM 38 C4' G A 2 9.693 -2.010 5.730 1.00 0.00 C ATOM 39 O4' G A 2 9.099 -1.695 4.468 1.00 0.00 O ATOM 40 C3' G A 2 9.095 -1.025 6.712 1.00 0.00 C ATOM 41 O3' G A 2 9.877 -0.864 7.879 1.00 0.00 O ATOM 42 C2' G A 2 9.094 0.216 5.864 1.00 0.00 C ATOM 43 O2' G A 2 10.410 0.712 5.714 1.00 0.00 O ATOM 44 C1' G A 2 8.626 -0.334 4.534 1.00 0.00 C ATOM 45 N9 G A 2 7.156 -0.330 4.450 1.00 0.00 N ATOM 46 C8 G A 2 6.298 -1.378 4.617 1.00 0.00 C ATOM 47 N7 G A 2 5.044 -1.078 4.420 1.00 0.00 N ATOM 48 C5 G A 2 5.074 0.276 4.092 1.00 0.00 C ATOM 49 C6 G A 2 4.008 1.162 3.752 1.00 0.00 C ATOM 50 O6 G A 2 2.805 0.917 3.681 1.00 0.00 O ATOM 51 N1 G A 2 4.474 2.443 3.478 1.00 0.00 N ATOM 52 C2 G A 2 5.797 2.827 3.513 1.00 0.00 C ATOM 53 N2 G A 2 6.060 4.105 3.219 1.00 0.00 N ATOM 54 N3 G A 2 6.801 1.998 3.825 1.00 0.00 N ATOM 55 C4 G A 2 6.367 0.742 4.104 1.00 0.00 C ATOM 0 H5' G A 2 9.907 -4.137 5.402 1.00 0.00 H new ATOM 0 H5'' G A 2 9.978 -3.669 7.089 1.00 0.00 H new ATOM 0 H4' G A 2 10.778 -1.918 5.688 1.00 0.00 H new ATOM 0 H3' G A 2 8.124 -1.321 7.109 1.00 0.00 H new ATOM 0 H2' G A 2 8.492 1.028 6.271 1.00 0.00 H new ATOM 0 HO2' G A 2 10.394 1.519 5.159 1.00 0.00 H new ATOM 0 H1' G A 2 9.007 0.276 3.715 1.00 0.00 H new ATOM 0 H8 G A 2 6.629 -2.370 4.889 1.00 0.00 H new ATOM 0 H1 G A 2 3.784 3.153 3.232 1.00 0.00 H new ATOM 0 H21 G A 2 7.022 4.443 3.230 1.00 0.00 H new ATOM 0 H22 G A 2 5.298 4.741 2.984 1.00 0.00 H new ATOM 67 P A A 3 9.274 -0.118 9.179 1.00 0.00 P ATOM 68 OP1 A A 3 10.350 -0.011 10.189 1.00 0.00 O ATOM 69 OP2 A A 3 8.001 -0.784 9.534 1.00 0.00 O ATOM 70 O5' A A 3 8.928 1.368 8.653 1.00 0.00 O ATOM 71 C5' A A 3 9.948 2.316 8.424 1.00 0.00 C ATOM 72 C4' A A 3 9.330 3.638 7.956 1.00 0.00 C ATOM 73 O4' A A 3 8.608 3.499 6.738 1.00 0.00 O ATOM 74 C3' A A 3 8.350 4.203 8.960 1.00 0.00 C ATOM 75 O3' A A 3 9.009 4.842 10.037 1.00 0.00 O ATOM 76 C2' A A 3 7.611 5.190 8.088 1.00 0.00 C ATOM 77 O2' A A 3 8.424 6.321 7.860 1.00 0.00 O ATOM 78 C1' A A 3 7.508 4.421 6.767 1.00 0.00 C ATOM 79 N9 A A 3 6.265 3.648 6.722 1.00 0.00 N ATOM 80 C8 A A 3 6.100 2.310 6.925 1.00 0.00 C ATOM 81 N7 A A 3 4.868 1.901 6.798 1.00 0.00 N ATOM 82 C5 A A 3 4.170 3.061 6.470 1.00 0.00 C ATOM 83 C6 A A 3 2.818 3.310 6.181 1.00 0.00 C ATOM 84 N6 A A 3 1.877 2.360 6.199 1.00 0.00 N ATOM 85 N1 A A 3 2.471 4.571 5.862 1.00 0.00 N ATOM 86 C2 A A 3 3.407 5.515 5.839 1.00 0.00 C ATOM 87 N3 A A 3 4.704 5.409 6.097 1.00 0.00 N ATOM 88 C4 A A 3 5.020 4.130 6.411 1.00 0.00 C ATOM 0 H5' A A 3 10.643 1.942 7.672 1.00 0.00 H new ATOM 0 H5'' A A 3 10.522 2.475 9.337 1.00 0.00 H new ATOM 0 H4' A A 3 10.183 4.304 7.828 1.00 0.00 H new ATOM 0 H3' A A 3 7.717 3.461 9.447 1.00 0.00 H new ATOM 0 H2' A A 3 6.664 5.526 8.511 1.00 0.00 H new ATOM 0 HO2' A A 3 9.201 6.291 8.456 1.00 0.00 H new ATOM 0 H1' A A 3 7.524 5.114 5.926 1.00 0.00 H new ATOM 0 H8 A A 3 6.917 1.647 7.169 1.00 0.00 H new ATOM 0 H61 A A 3 0.909 2.597 5.981 1.00 0.00 H new ATOM 0 H62 A A 3 2.127 1.399 6.431 1.00 0.00 H new ATOM 0 H2 A A 3 3.064 6.504 5.574 1.00 0.00 H new ATOM 100 P G A 4 8.219 5.201 11.394 1.00 0.00 P ATOM 101 OP1 G A 4 9.125 5.985 12.262 1.00 0.00 O ATOM 102 OP2 G A 4 7.609 3.954 11.907 1.00 0.00 O ATOM 103 O5' G A 4 7.032 6.168 10.903 1.00 0.00 O ATOM 104 C5' G A 4 7.284 7.505 10.520 1.00 0.00 C ATOM 105 C4' G A 4 5.976 8.164 10.149 1.00 0.00 C ATOM 106 O4' G A 4 5.393 7.533 9.022 1.00 0.00 O ATOM 107 C3' G A 4 4.957 8.032 11.232 1.00 0.00 C ATOM 108 O3' G A 4 5.213 8.908 12.316 1.00 0.00 O ATOM 109 C2' G A 4 3.749 8.446 10.441 1.00 0.00 C ATOM 110 O2' G A 4 3.789 9.838 10.201 1.00 0.00 O ATOM 111 C1' G A 4 3.988 7.728 9.125 1.00 0.00 C ATOM 112 N9 G A 4 3.282 6.432 9.095 1.00 0.00 N ATOM 113 C8 G A 4 3.786 5.168 9.255 1.00 0.00 C ATOM 114 N7 G A 4 2.893 4.222 9.132 1.00 0.00 N ATOM 115 C5 G A 4 1.709 4.911 8.875 1.00 0.00 C ATOM 116 C6 G A 4 0.384 4.421 8.650 1.00 0.00 C ATOM 117 O6 G A 4 -0.016 3.257 8.623 1.00 0.00 O ATOM 118 N1 G A 4 -0.512 5.460 8.450 1.00 0.00 N ATOM 119 C2 G A 4 -0.192 6.798 8.447 1.00 0.00 C ATOM 120 N2 G A 4 -1.197 7.653 8.231 1.00 0.00 N ATOM 121 N3 G A 4 1.044 7.262 8.645 1.00 0.00 N ATOM 122 C4 G A 4 1.941 6.265 8.855 1.00 0.00 C ATOM 0 H5' G A 4 7.972 7.531 9.675 1.00 0.00 H new ATOM 0 H5'' G A 4 7.761 8.047 11.337 1.00 0.00 H new ATOM 0 H4' G A 4 6.222 9.209 9.960 1.00 0.00 H new ATOM 0 H3' G A 4 4.898 7.057 11.716 1.00 0.00 H new ATOM 0 H2' G A 4 2.801 8.220 10.929 1.00 0.00 H new ATOM 0 HO2' G A 4 4.429 10.257 10.814 1.00 0.00 H new ATOM 0 H1' G A 4 3.607 8.314 8.288 1.00 0.00 H new ATOM 0 H8 G A 4 4.827 4.971 9.464 1.00 0.00 H new ATOM 0 H1 G A 4 -1.489 5.212 8.292 1.00 0.00 H new ATOM 0 H21 G A 4 -1.018 8.657 8.218 1.00 0.00 H new ATOM 0 H22 G A 4 -2.142 7.301 8.079 1.00 0.00 H new ATOM 134 P U A 5 4.479 8.710 13.738 1.00 0.00 P ATOM 135 OP1 U A 5 4.775 9.890 14.580 1.00 0.00 O ATOM 136 OP2 U A 5 4.806 7.354 14.232 1.00 0.00 O ATOM 137 O5' U A 5 2.915 8.737 13.368 1.00 0.00 O ATOM 138 C5' U A 5 2.257 9.936 13.020 1.00 0.00 C ATOM 139 C4' U A 5 0.795 9.615 12.694 1.00 0.00 C ATOM 140 O4' U A 5 0.686 8.702 11.605 1.00 0.00 O ATOM 141 C3' U A 5 0.114 8.945 13.874 1.00 0.00 C ATOM 142 O3' U A 5 -0.366 9.887 14.828 1.00 0.00 O ATOM 143 C2' U A 5 -0.998 8.206 13.204 1.00 0.00 C ATOM 144 O2' U A 5 -2.083 9.077 12.970 1.00 0.00 O ATOM 145 C1' U A 5 -0.398 7.803 11.874 1.00 0.00 C ATOM 146 N1 U A 5 0.089 6.404 11.895 1.00 0.00 N ATOM 147 C2 U A 5 -0.834 5.402 11.636 1.00 0.00 C ATOM 148 O2 U A 5 -2.020 5.648 11.431 1.00 0.00 O ATOM 149 N3 U A 5 -0.344 4.103 11.616 1.00 0.00 N ATOM 150 C4 U A 5 0.985 3.738 11.791 1.00 0.00 C ATOM 151 O4 U A 5 1.318 2.556 11.760 1.00 0.00 O ATOM 152 C5 U A 5 1.881 4.860 11.993 1.00 0.00 C ATOM 153 C6 U A 5 1.416 6.120 12.042 1.00 0.00 C ATOM 0 H5' U A 5 2.743 10.399 12.161 1.00 0.00 H new ATOM 0 H5'' U A 5 2.313 10.650 13.841 1.00 0.00 H new ATOM 0 H4' U A 5 0.326 10.568 12.447 1.00 0.00 H new ATOM 0 H3' U A 5 0.778 8.307 14.457 1.00 0.00 H new ATOM 0 H2' U A 5 -1.367 7.367 13.795 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.992 9.872 13.535 1.00 0.00 H new ATOM 0 H1' U A 5 -1.158 7.859 11.095 1.00 0.00 H new ATOM 0 H3 U A 5 -1.017 3.353 11.459 1.00 0.00 H new ATOM 0 H5 U A 5 2.940 4.680 12.106 1.00 0.00 H new ATOM 0 H6 U A 5 2.112 6.930 12.202 1.00 0.00 H new ATOM 164 P U A 6 -0.931 9.406 16.271 1.00 0.00 P ATOM 165 OP1 U A 6 -1.065 10.604 17.129 1.00 0.00 O ATOM 166 OP2 U A 6 -0.097 8.272 16.725 1.00 0.00 O ATOM 167 O5' U A 6 -2.422 8.839 15.973 1.00 0.00 O ATOM 168 C5' U A 6 -3.546 9.708 15.905 1.00 0.00 C ATOM 169 C4' U A 6 -4.838 8.877 15.792 1.00 0.00 C ATOM 170 O4' U A 6 -4.869 8.112 14.594 1.00 0.00 O ATOM 171 C3' U A 6 -4.976 7.874 16.925 1.00 0.00 C ATOM 172 O3' U A 6 -5.476 8.452 18.115 1.00 0.00 O ATOM 173 C2' U A 6 -5.974 6.928 16.321 1.00 0.00 C ATOM 174 O2' U A 6 -7.266 7.497 16.364 1.00 0.00 O ATOM 175 C1' U A 6 -5.524 6.867 14.880 1.00 0.00 C ATOM 176 N1 U A 6 -4.582 5.748 14.671 1.00 0.00 N ATOM 177 C2 U A 6 -5.098 4.471 14.515 1.00 0.00 C ATOM 178 O2 U A 6 -6.300 4.231 14.608 1.00 0.00 O ATOM 179 N3 U A 6 -4.177 3.473 14.240 1.00 0.00 N ATOM 180 C4 U A 6 -2.808 3.644 14.100 1.00 0.00 C ATOM 181 O4 U A 6 -2.078 2.687 13.859 1.00 0.00 O ATOM 182 C5 U A 6 -2.369 5.010 14.260 1.00 0.00 C ATOM 183 C6 U A 6 -3.253 5.990 14.539 1.00 0.00 C ATOM 0 H5' U A 6 -3.453 10.372 15.046 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.584 10.339 16.793 1.00 0.00 H new ATOM 0 H4' U A 6 -5.645 9.609 15.818 1.00 0.00 H new ATOM 0 H3' U A 6 -4.032 7.427 17.237 1.00 0.00 H new ATOM 0 H2' U A 6 -6.020 5.964 16.827 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.273 8.246 16.996 1.00 0.00 H new ATOM 0 H1' U A 6 -6.378 6.706 14.222 1.00 0.00 H new ATOM 0 H3 U A 6 -4.539 2.526 14.131 1.00 0.00 H new ATOM 0 H5 U A 6 -1.321 5.250 14.155 1.00 0.00 H new ATOM 0 H6 U A 6 -2.891 7.000 14.661 1.00 0.00 H new ATOM 194 P C A 7 -5.421 7.640 19.512 1.00 0.00 P ATOM 195 OP1 C A 7 -6.112 8.449 20.540 1.00 0.00 O ATOM 196 OP2 C A 7 -4.020 7.218 19.732 1.00 0.00 O ATOM 197 O5' C A 7 -6.302 6.310 19.243 1.00 0.00 O ATOM 198 C5' C A 7 -7.718 6.344 19.268 1.00 0.00 C ATOM 199 C4' C A 7 -8.270 4.922 19.095 1.00 0.00 C ATOM 200 O4' C A 7 -7.903 4.345 17.835 1.00 0.00 O ATOM 201 C3' C A 7 -7.717 3.976 20.140 1.00 0.00 C ATOM 202 O3' C A 7 -8.358 4.120 21.395 1.00 0.00 O ATOM 203 C2' C A 7 -8.039 2.655 19.491 1.00 0.00 C ATOM 204 O2' C A 7 -9.416 2.383 19.626 1.00 0.00 O ATOM 205 C1' C A 7 -7.750 2.923 18.026 1.00 0.00 C ATOM 206 N1 C A 7 -6.373 2.494 17.667 1.00 0.00 N ATOM 207 C2 C A 7 -6.175 1.150 17.363 1.00 0.00 C ATOM 208 O2 C A 7 -7.106 0.351 17.441 1.00 0.00 O ATOM 209 N3 C A 7 -4.930 0.752 16.977 1.00 0.00 N ATOM 210 C4 C A 7 -3.921 1.631 16.893 1.00 0.00 C ATOM 211 N4 C A 7 -2.718 1.198 16.503 1.00 0.00 N ATOM 212 C5 C A 7 -4.115 3.019 17.199 1.00 0.00 C ATOM 213 C6 C A 7 -5.353 3.395 17.576 1.00 0.00 C ATOM 0 H5' C A 7 -8.091 6.989 18.472 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.065 6.768 20.210 1.00 0.00 H new ATOM 0 H4' C A 7 -9.351 5.033 19.179 1.00 0.00 H new ATOM 0 H3' C A 7 -6.665 4.129 20.380 1.00 0.00 H new ATOM 0 H2' C A 7 -7.483 1.820 19.917 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.830 3.066 20.193 1.00 0.00 H new ATOM 0 H1' C A 7 -8.431 2.361 17.387 1.00 0.00 H new ATOM 0 H41 C A 7 -1.939 1.852 16.433 1.00 0.00 H new ATOM 0 H42 C A 7 -2.580 0.213 16.275 1.00 0.00 H new ATOM 0 H5 C A 7 -3.305 3.731 17.130 1.00 0.00 H new ATOM 0 H6 C A 7 -5.542 4.432 17.811 1.00 0.00 H new ATOM 225 P C A 8 -7.765 3.398 22.712 1.00 0.00 P ATOM 226 OP1 C A 8 -8.678 3.678 23.843 1.00 0.00 O ATOM 227 OP2 C A 8 -6.333 3.754 22.821 1.00 0.00 O ATOM 228 O5' C A 8 -7.862 1.829 22.367 1.00 0.00 O ATOM 229 C5' C A 8 -9.093 1.139 22.430 1.00 0.00 C ATOM 230 C4' C A 8 -8.871 -0.314 22.001 1.00 0.00 C ATOM 231 O4' C A 8 -8.356 -0.394 20.675 1.00 0.00 O ATOM 232 C3' C A 8 -7.834 -1.000 22.863 1.00 0.00 C ATOM 233 O3' C A 8 -8.362 -1.425 24.101 1.00 0.00 O ATOM 234 C2' C A 8 -7.470 -2.172 21.989 1.00 0.00 C ATOM 235 O2' C A 8 -8.422 -3.202 22.154 1.00 0.00 O ATOM 236 C1' C A 8 -7.577 -1.598 20.577 1.00 0.00 C ATOM 237 N1 C A 8 -6.208 -1.297 20.087 1.00 0.00 N ATOM 238 C2 C A 8 -5.486 -2.331 19.501 1.00 0.00 C ATOM 239 O2 C A 8 -6.002 -3.435 19.338 1.00 0.00 O ATOM 240 N3 C A 8 -4.199 -2.085 19.122 1.00 0.00 N ATOM 241 C4 C A 8 -3.643 -0.881 19.317 1.00 0.00 C ATOM 242 N4 C A 8 -2.381 -0.679 18.926 1.00 0.00 N ATOM 243 C5 C A 8 -4.371 0.185 19.937 1.00 0.00 C ATOM 244 C6 C A 8 -5.644 -0.077 20.301 1.00 0.00 C ATOM 0 H5' C A 8 -9.826 1.616 21.779 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.494 1.176 23.443 1.00 0.00 H new ATOM 0 H4' C A 8 -9.848 -0.790 22.088 1.00 0.00 H new ATOM 0 H3' C A 8 -6.997 -0.360 23.142 1.00 0.00 H new ATOM 0 H2' C A 8 -6.490 -2.594 22.215 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.817 -3.142 23.049 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.658 -1.864 24.623 1.00 0.00 H new ATOM 0 H1' C A 8 -8.048 -2.294 19.883 1.00 0.00 H new ATOM 0 H41 C A 8 -1.943 0.231 19.067 1.00 0.00 H new ATOM 0 H42 C A 8 -1.856 -1.435 18.487 1.00 0.00 H new ATOM 0 H5 C A 8 -3.923 1.153 20.105 1.00 0.00 H new ATOM 0 H6 C A 8 -6.228 0.699 20.773 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.428 -8.790 15.732 1.00 0.00 O ATOM 259 C5' G B 9 2.882 -10.084 15.878 1.00 0.00 C ATOM 260 C4' G B 9 1.399 -9.996 16.252 1.00 0.00 C ATOM 261 O4' G B 9 1.213 -9.342 17.508 1.00 0.00 O ATOM 262 C3' G B 9 0.583 -9.188 15.261 1.00 0.00 C ATOM 263 O3' G B 9 0.283 -9.905 14.081 1.00 0.00 O ATOM 264 C2' G B 9 -0.646 -8.922 16.091 1.00 0.00 C ATOM 265 O2' G B 9 -1.435 -10.090 16.182 1.00 0.00 O ATOM 266 C1' G B 9 -0.040 -8.636 17.456 1.00 0.00 C ATOM 267 N9 G B 9 0.191 -7.184 17.605 1.00 0.00 N ATOM 268 C8 G B 9 1.355 -6.472 17.460 1.00 0.00 C ATOM 269 N7 G B 9 1.220 -5.192 17.666 1.00 0.00 N ATOM 270 C5 G B 9 -0.129 -5.041 17.969 1.00 0.00 C ATOM 271 C6 G B 9 -0.871 -3.866 18.288 1.00 0.00 C ATOM 272 O6 G B 9 -0.469 -2.707 18.364 1.00 0.00 O ATOM 273 N1 G B 9 -2.210 -4.155 18.532 1.00 0.00 N ATOM 274 C2 G B 9 -2.770 -5.414 18.473 1.00 0.00 C ATOM 275 N2 G B 9 -4.079 -5.502 18.727 1.00 0.00 N ATOM 276 N3 G B 9 -2.077 -6.518 18.175 1.00 0.00 N ATOM 277 C4 G B 9 -0.767 -6.257 17.935 1.00 0.00 C ATOM 0 H5' G B 9 3.426 -10.631 16.648 1.00 0.00 H new ATOM 0 H5'' G B 9 2.997 -10.642 14.949 1.00 0.00 H new ATOM 0 H4' G B 9 1.066 -11.034 16.272 1.00 0.00 H new ATOM 0 H3' G B 9 1.087 -8.299 14.881 1.00 0.00 H new ATOM 0 H2' G B 9 -1.282 -8.131 15.692 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.230 -9.906 16.724 1.00 0.00 H new ATOM 0 HO5' G B 9 4.376 -8.860 15.495 1.00 0.00 H new ATOM 0 H1' G B 9 -0.703 -8.957 18.259 1.00 0.00 H new ATOM 0 H8 G B 9 2.297 -6.930 17.199 1.00 0.00 H new ATOM 0 H1 G B 9 -2.824 -3.377 18.773 1.00 0.00 H new ATOM 0 H21 G B 9 -4.544 -6.409 18.697 1.00 0.00 H new ATOM 0 H22 G B 9 -4.613 -4.662 18.951 1.00 0.00 H new ATOM 290 P G B 10 -0.357 -9.151 12.803 1.00 0.00 P ATOM 291 OP1 G B 10 -0.535 -10.147 11.724 1.00 0.00 O ATOM 292 OP2 G B 10 0.444 -7.933 12.550 1.00 0.00 O ATOM 293 O5' G B 10 -1.820 -8.691 13.307 1.00 0.00 O ATOM 294 C5' G B 10 -2.869 -9.627 13.442 1.00 0.00 C ATOM 295 C4' G B 10 -4.158 -8.917 13.872 1.00 0.00 C ATOM 296 O4' G B 10 -4.034 -8.267 15.139 1.00 0.00 O ATOM 297 C3' G B 10 -4.578 -7.832 12.905 1.00 0.00 C ATOM 298 O3' G B 10 -5.176 -8.338 11.728 1.00 0.00 O ATOM 299 C2' G B 10 -5.567 -7.101 13.768 1.00 0.00 C ATOM 300 O2' G B 10 -6.743 -7.870 13.915 1.00 0.00 O ATOM 301 C1' G B 10 -4.837 -7.072 15.094 1.00 0.00 C ATOM 302 N9 G B 10 -3.954 -5.898 15.183 1.00 0.00 N ATOM 303 C8 G B 10 -2.601 -5.843 15.014 1.00 0.00 C ATOM 304 N7 G B 10 -2.086 -4.661 15.213 1.00 0.00 N ATOM 305 C5 G B 10 -3.184 -3.872 15.547 1.00 0.00 C ATOM 306 C6 G B 10 -3.249 -2.489 15.893 1.00 0.00 C ATOM 307 O6 G B 10 -2.331 -1.675 15.963 1.00 0.00 O ATOM 308 N1 G B 10 -4.552 -2.092 16.176 1.00 0.00 N ATOM 309 C2 G B 10 -5.655 -2.919 16.142 1.00 0.00 C ATOM 310 N2 G B 10 -6.833 -2.362 16.446 1.00 0.00 N ATOM 311 N3 G B 10 -5.598 -4.217 15.823 1.00 0.00 N ATOM 312 C4 G B 10 -4.334 -4.624 15.537 1.00 0.00 C ATOM 0 H5' G B 10 -2.599 -10.384 14.178 1.00 0.00 H new ATOM 0 H5'' G B 10 -3.028 -10.145 12.496 1.00 0.00 H new ATOM 0 H4' G B 10 -4.894 -9.720 13.910 1.00 0.00 H new ATOM 0 H3' G B 10 -3.757 -7.231 12.515 1.00 0.00 H new ATOM 0 H2' G B 10 -5.863 -6.127 13.378 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.381 -7.387 14.480 1.00 0.00 H new ATOM 0 H1' G B 10 -5.547 -7.018 15.919 1.00 0.00 H new ATOM 0 H8 G B 10 -2.008 -6.703 14.739 1.00 0.00 H new ATOM 0 H1 G B 10 -4.703 -1.115 16.428 1.00 0.00 H new ATOM 0 H21 G B 10 -7.682 -2.927 16.437 1.00 0.00 H new ATOM 0 H22 G B 10 -6.882 -1.372 16.687 1.00 0.00 H new ATOM 324 P A B 11 -5.415 -7.380 10.448 1.00 0.00 P ATOM 325 OP1 A B 11 -6.140 -8.160 9.420 1.00 0.00 O ATOM 326 OP2 A B 11 -4.124 -6.743 10.110 1.00 0.00 O ATOM 327 O5' A B 11 -6.407 -6.232 10.999 1.00 0.00 O ATOM 328 C5' A B 11 -7.773 -6.499 11.231 1.00 0.00 C ATOM 329 C4' A B 11 -8.472 -5.228 11.726 1.00 0.00 C ATOM 330 O4' A B 11 -7.923 -4.743 12.946 1.00 0.00 O ATOM 331 C3' A B 11 -8.368 -4.090 10.733 1.00 0.00 C ATOM 332 O3' A B 11 -9.301 -4.226 9.679 1.00 0.00 O ATOM 333 C2' A B 11 -8.698 -2.915 11.625 1.00 0.00 C ATOM 334 O2' A B 11 -10.088 -2.883 11.875 1.00 0.00 O ATOM 335 C1' A B 11 -8.001 -3.308 12.931 1.00 0.00 C ATOM 336 N9 A B 11 -6.636 -2.776 12.959 1.00 0.00 N ATOM 337 C8 A B 11 -5.468 -3.444 12.737 1.00 0.00 C ATOM 338 N7 A B 11 -4.401 -2.705 12.857 1.00 0.00 N ATOM 339 C5 A B 11 -4.906 -1.454 13.200 1.00 0.00 C ATOM 340 C6 A B 11 -4.290 -0.225 13.492 1.00 0.00 C ATOM 341 N6 A B 11 -2.966 -0.042 13.460 1.00 0.00 N ATOM 342 N1 A B 11 -5.086 0.808 13.828 1.00 0.00 N ATOM 343 C2 A B 11 -6.403 0.624 13.865 1.00 0.00 C ATOM 344 N3 A B 11 -7.099 -0.475 13.608 1.00 0.00 N ATOM 345 C4 A B 11 -6.271 -1.493 13.276 1.00 0.00 C ATOM 0 H5' A B 11 -7.878 -7.294 11.969 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.245 -6.852 10.314 1.00 0.00 H new ATOM 0 H4' A B 11 -9.511 -5.528 11.865 1.00 0.00 H new ATOM 0 H3' A B 11 -7.407 -4.018 10.225 1.00 0.00 H new ATOM 0 H2' A B 11 -8.402 -1.953 11.207 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.542 -3.517 11.281 1.00 0.00 H new ATOM 0 H1' A B 11 -8.552 -2.915 13.785 1.00 0.00 H new ATOM 0 H8 A B 11 -5.430 -4.493 12.484 1.00 0.00 H new ATOM 0 H61 A B 11 -2.572 0.872 13.681 1.00 0.00 H new ATOM 0 H62 A B 11 -2.350 -0.817 13.214 1.00 0.00 H new ATOM 0 H2 A B 11 -6.986 1.490 14.143 1.00 0.00 H new ATOM 357 P G B 12 -9.141 -3.376 8.320 1.00 0.00 P ATOM 358 OP1 G B 12 -10.340 -3.611 7.486 1.00 0.00 O ATOM 359 OP2 G B 12 -7.797 -3.654 7.767 1.00 0.00 O ATOM 360 O5' G B 12 -9.166 -1.847 8.817 1.00 0.00 O ATOM 361 C5' G B 12 -10.367 -1.227 9.230 1.00 0.00 C ATOM 362 C4' G B 12 -10.079 0.212 9.590 1.00 0.00 C ATOM 363 O4' G B 12 -9.205 0.292 10.702 1.00 0.00 O ATOM 364 C3' G B 12 -9.367 0.931 8.492 1.00 0.00 C ATOM 365 O3' G B 12 -10.232 1.258 7.418 1.00 0.00 O ATOM 366 C2' G B 12 -8.943 2.144 9.270 1.00 0.00 C ATOM 367 O2' G B 12 -10.065 2.966 9.521 1.00 0.00 O ATOM 368 C1' G B 12 -8.503 1.523 10.584 1.00 0.00 C ATOM 369 N9 G B 12 -7.046 1.290 10.598 1.00 0.00 N ATOM 370 C8 G B 12 -6.356 0.118 10.434 1.00 0.00 C ATOM 371 N7 G B 12 -5.060 0.247 10.544 1.00 0.00 N ATOM 372 C5 G B 12 -4.879 1.606 10.796 1.00 0.00 C ATOM 373 C6 G B 12 -3.680 2.356 11.007 1.00 0.00 C ATOM 374 O6 G B 12 -2.514 1.962 11.024 1.00 0.00 O ATOM 375 N1 G B 12 -3.953 3.700 11.208 1.00 0.00 N ATOM 376 C2 G B 12 -5.206 4.265 11.223 1.00 0.00 C ATOM 377 N2 G B 12 -5.266 5.583 11.438 1.00 0.00 N ATOM 378 N3 G B 12 -6.331 3.570 11.037 1.00 0.00 N ATOM 379 C4 G B 12 -6.093 2.250 10.826 1.00 0.00 C ATOM 0 H5' G B 12 -10.787 -1.753 10.088 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.109 -1.274 8.433 1.00 0.00 H new ATOM 0 H4' G B 12 -11.052 0.658 9.793 1.00 0.00 H new ATOM 0 H3' G B 12 -8.567 0.378 8.000 1.00 0.00 H new ATOM 0 H2' G B 12 -8.190 2.752 8.768 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.750 2.802 8.839 1.00 0.00 H new ATOM 0 H1' G B 12 -8.724 2.187 11.419 1.00 0.00 H new ATOM 0 H8 G B 12 -6.839 -0.827 10.232 1.00 0.00 H new ATOM 0 H1 G B 12 -3.158 4.321 11.357 1.00 0.00 H new ATOM 0 H21 G B 12 -6.170 6.056 11.460 1.00 0.00 H new ATOM 0 H22 G B 12 -4.408 6.116 11.580 1.00 0.00 H new ATOM 391 P U B 13 -9.645 1.710 5.986 1.00 0.00 P ATOM 392 OP1 U B 13 -10.772 2.188 5.155 1.00 0.00 O ATOM 393 OP2 U B 13 -8.775 0.622 5.488 1.00 0.00 O ATOM 394 O5' U B 13 -8.710 2.969 6.337 1.00 0.00 O ATOM 395 C5' U B 13 -9.257 4.223 6.686 1.00 0.00 C ATOM 396 C4' U B 13 -8.109 5.189 6.991 1.00 0.00 C ATOM 397 O4' U B 13 -7.301 4.725 8.069 1.00 0.00 O ATOM 398 C3' U B 13 -7.182 5.318 5.796 1.00 0.00 C ATOM 399 O3' U B 13 -7.650 6.270 4.849 1.00 0.00 O ATOM 400 C2' U B 13 -5.905 5.750 6.440 1.00 0.00 C ATOM 401 O2' U B 13 -5.924 7.146 6.656 1.00 0.00 O ATOM 402 C1' U B 13 -5.932 5.041 7.779 1.00 0.00 C ATOM 403 N1 U B 13 -5.114 3.807 7.762 1.00 0.00 N ATOM 404 C2 U B 13 -3.756 3.937 8.009 1.00 0.00 C ATOM 405 O2 U B 13 -3.231 5.032 8.199 1.00 0.00 O ATOM 406 N3 U B 13 -3.019 2.761 8.033 1.00 0.00 N ATOM 407 C4 U B 13 -3.534 1.481 7.873 1.00 0.00 C ATOM 408 O4 U B 13 -2.795 0.500 7.907 1.00 0.00 O ATOM 409 C5 U B 13 -4.971 1.445 7.682 1.00 0.00 C ATOM 410 C6 U B 13 -5.693 2.577 7.630 1.00 0.00 C ATOM 0 H5' U B 13 -9.908 4.123 7.554 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.869 4.609 5.871 1.00 0.00 H new ATOM 0 H4' U B 13 -8.576 6.141 7.242 1.00 0.00 H new ATOM 0 H3' U B 13 -7.093 4.400 5.215 1.00 0.00 H new ATOM 0 H2' U B 13 -5.025 5.521 5.839 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.724 7.530 6.241 1.00 0.00 H new ATOM 0 H1' U B 13 -5.507 5.689 8.546 1.00 0.00 H new ATOM 0 H3 U B 13 -2.013 2.844 8.181 1.00 0.00 H new ATOM 0 H5 U B 13 -5.469 0.492 7.580 1.00 0.00 H new ATOM 0 H6 U B 13 -6.761 2.513 7.480 1.00 0.00 H new ATOM 421 P U B 14 -6.931 6.439 3.407 1.00 0.00 P ATOM 422 OP1 U B 14 -7.799 7.290 2.563 1.00 0.00 O ATOM 423 OP2 U B 14 -6.549 5.091 2.934 1.00 0.00 O ATOM 424 O5' U B 14 -5.568 7.266 3.709 1.00 0.00 O ATOM 425 C5' U B 14 -5.576 8.679 3.854 1.00 0.00 C ATOM 426 C4' U B 14 -4.129 9.201 3.958 1.00 0.00 C ATOM 427 O4' U B 14 -3.488 8.743 5.143 1.00 0.00 O ATOM 428 C3' U B 14 -3.260 8.719 2.808 1.00 0.00 C ATOM 429 O3' U B 14 -3.435 9.473 1.625 1.00 0.00 O ATOM 430 C2' U B 14 -1.899 8.947 3.401 1.00 0.00 C ATOM 431 O2' U B 14 -1.594 10.325 3.383 1.00 0.00 O ATOM 432 C1' U B 14 -2.103 8.522 4.836 1.00 0.00 C ATOM 433 N1 U B 14 -1.780 7.092 5.011 1.00 0.00 N ATOM 434 C2 U B 14 -0.453 6.731 5.181 1.00 0.00 C ATOM 435 O2 U B 14 0.464 7.546 5.111 1.00 0.00 O ATOM 436 N3 U B 14 -0.218 5.390 5.441 1.00 0.00 N ATOM 437 C4 U B 14 -1.182 4.401 5.558 1.00 0.00 C ATOM 438 O4 U B 14 -0.864 3.239 5.793 1.00 0.00 O ATOM 439 C5 U B 14 -2.534 4.878 5.380 1.00 0.00 C ATOM 440 C6 U B 14 -2.777 6.177 5.113 1.00 0.00 C ATOM 0 H5' U B 14 -6.138 8.959 4.745 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.078 9.138 3.002 1.00 0.00 H new ATOM 0 H4' U B 14 -4.222 10.287 3.948 1.00 0.00 H new ATOM 0 H3' U B 14 -3.474 7.699 2.488 1.00 0.00 H new ATOM 0 H2' U B 14 -1.101 8.422 2.876 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.228 10.793 2.800 1.00 0.00 H new ATOM 0 H1' U B 14 -1.450 9.092 5.497 1.00 0.00 H new ATOM 0 H3 U B 14 0.754 5.105 5.557 1.00 0.00 H new ATOM 0 H5 U B 14 -3.359 4.186 5.462 1.00 0.00 H new ATOM 0 H6 U B 14 -3.798 6.500 4.976 1.00 0.00 H new ATOM 451 P C B 15 -2.818 8.958 0.221 1.00 0.00 P ATOM 452 OP1 C B 15 -3.067 10.000 -0.800 1.00 0.00 O ATOM 453 OP2 C B 15 -3.305 7.580 -0.006 1.00 0.00 O ATOM 454 O5' C B 15 -1.222 8.883 0.484 1.00 0.00 O ATOM 455 C5' C B 15 -0.418 10.047 0.472 1.00 0.00 C ATOM 456 C4' C B 15 1.057 9.658 0.654 1.00 0.00 C ATOM 457 O4' C B 15 1.299 9.005 1.906 1.00 0.00 O ATOM 458 C3' C B 15 1.513 8.673 -0.403 1.00 0.00 C ATOM 459 O3' C B 15 1.793 9.301 -1.641 1.00 0.00 O ATOM 460 C2' C B 15 2.762 8.141 0.252 1.00 0.00 C ATOM 461 O2' C B 15 3.802 9.091 0.144 1.00 0.00 O ATOM 462 C1' C B 15 2.357 8.041 1.710 1.00 0.00 C ATOM 463 N1 C B 15 1.883 6.670 2.041 1.00 0.00 N ATOM 464 C2 C B 15 2.845 5.712 2.354 1.00 0.00 C ATOM 465 O2 C B 15 4.041 5.991 2.302 1.00 0.00 O ATOM 466 N3 C B 15 2.422 4.468 2.718 1.00 0.00 N ATOM 467 C4 C B 15 1.115 4.175 2.774 1.00 0.00 C ATOM 468 N4 C B 15 0.745 2.945 3.146 1.00 0.00 N ATOM 469 C5 C B 15 0.117 5.154 2.458 1.00 0.00 C ATOM 470 C6 C B 15 0.552 6.378 2.102 1.00 0.00 C ATOM 0 H5' C B 15 -0.727 10.723 1.269 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.550 10.582 -0.468 1.00 0.00 H new ATOM 0 H4' C B 15 1.599 10.601 0.590 1.00 0.00 H new ATOM 0 H3' C B 15 0.773 7.917 -0.666 1.00 0.00 H new ATOM 0 H2' C B 15 3.112 7.207 -0.187 1.00 0.00 H new ATOM 0 HO2' C B 15 3.516 9.825 -0.439 1.00 0.00 H new ATOM 0 H1' C B 15 3.206 8.245 2.363 1.00 0.00 H new ATOM 0 H41 C B 15 -0.245 2.703 3.195 1.00 0.00 H new ATOM 0 H42 C B 15 1.452 2.249 3.381 1.00 0.00 H new ATOM 0 H5 C B 15 -0.937 4.921 2.503 1.00 0.00 H new ATOM 0 H6 C B 15 -0.169 7.145 1.860 1.00 0.00 H new ATOM 482 P C B 16 2.028 8.423 -2.977 1.00 0.00 P ATOM 483 OP1 C B 16 2.373 9.345 -4.081 1.00 0.00 O ATOM 484 OP2 C B 16 0.880 7.501 -3.122 1.00 0.00 O ATOM 485 O5' C B 16 3.331 7.542 -2.633 1.00 0.00 O ATOM 486 C5' C B 16 4.627 8.104 -2.674 1.00 0.00 C ATOM 487 C4' C B 16 5.645 7.038 -2.261 1.00 0.00 C ATOM 488 O4' C B 16 5.395 6.556 -0.944 1.00 0.00 O ATOM 489 C3' C B 16 5.564 5.813 -3.144 1.00 0.00 C ATOM 490 O3' C B 16 6.219 5.993 -4.380 1.00 0.00 O ATOM 491 C2' C B 16 6.275 4.797 -2.287 1.00 0.00 C ATOM 492 O2' C B 16 7.673 4.935 -2.441 1.00 0.00 O ATOM 493 C1' C B 16 5.878 5.205 -0.868 1.00 0.00 C ATOM 494 N1 C B 16 4.809 4.289 -0.398 1.00 0.00 N ATOM 495 C2 C B 16 5.193 3.076 0.163 1.00 0.00 C ATOM 496 O2 C B 16 6.383 2.815 0.322 1.00 0.00 O ATOM 497 N3 C B 16 4.217 2.194 0.521 1.00 0.00 N ATOM 498 C4 C B 16 2.922 2.485 0.332 1.00 0.00 C ATOM 499 N4 C B 16 1.998 1.593 0.700 1.00 0.00 N ATOM 500 C5 C B 16 2.517 3.723 -0.262 1.00 0.00 C ATOM 501 C6 C B 16 3.496 4.585 -0.606 1.00 0.00 C ATOM 0 H5' C B 16 4.687 8.962 -2.004 1.00 0.00 H new ATOM 0 H5'' C B 16 4.848 8.467 -3.678 1.00 0.00 H new ATOM 0 H4' C B 16 6.615 7.529 -2.338 1.00 0.00 H new ATOM 0 H3' C B 16 4.547 5.542 -3.428 1.00 0.00 H new ATOM 0 H2' C B 16 6.019 3.767 -2.536 1.00 0.00 H new ATOM 0 HO2' C B 16 7.868 5.330 -3.316 1.00 0.00 H new ATOM 0 HO3' C B 16 6.141 5.175 -4.914 1.00 0.00 H new ATOM 0 H1' C B 16 6.714 5.146 -0.171 1.00 0.00 H new ATOM 0 H41 C B 16 1.008 1.798 0.563 1.00 0.00 H new ATOM 0 H42 C B 16 2.282 0.707 1.117 1.00 0.00 H new ATOM 0 H5 C B 16 1.475 3.956 -0.427 1.00 0.00 H new ATOM 0 H6 C B 16 3.233 5.531 -1.056 1.00 0.00 H new TER 514 C B 16