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 -13:sc= -0.309 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -15:sc= 0.0908 USER MOD Single : A 3 G O2' : rot 180:sc= -0.32 USER MOD Single : A 4 G O2' : rot -31:sc= 0.0335 USER MOD Single : A 5 U O2' : rot -25:sc= 0.085 USER MOD Single : A 6 C O2' : rot -15:sc= -0.281 USER MOD Single : A 7 U O2' : rot -150:sc= -0.446 USER MOD Single : A 8 C O2' : rot -35:sc= 0.133 USER MOD Single : A 8 C O3' : rot 180:sc= 0.122 USER MOD Single : B 9 G O2' : rot 180:sc= -0.375 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0135 USER MOD Single : B 10 A O2' : rot -11:sc= -0.145 USER MOD Single : B 11 G O2' : rot 180:sc= -0.542 USER MOD Single : B 12 G O2' : rot -24:sc= -0.472 USER MOD Single : B 13 U O2' : rot -74:sc= 0.174 USER MOD Single : B 14 C O2' : rot -29:sc= 0.195 USER MOD Single : B 15 U O2' : rot -18:sc= -0.138 USER MOD Single : B 16 C O2' : rot -15:sc= 0.107 USER MOD Single : B 16 C O3' : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.969 -10.406 3.794 1.00 0.00 O ATOM 2 C5' G A 1 5.801 -9.295 4.648 1.00 0.00 C ATOM 3 C4' G A 1 6.759 -8.179 4.230 1.00 0.00 C ATOM 4 O4' G A 1 6.433 -7.676 2.936 1.00 0.00 O ATOM 5 C3' G A 1 6.657 -6.978 5.148 1.00 0.00 C ATOM 6 O3' G A 1 7.351 -7.161 6.367 1.00 0.00 O ATOM 7 C2' G A 1 7.307 -5.927 4.284 1.00 0.00 C ATOM 8 O2' G A 1 8.710 -6.090 4.296 1.00 0.00 O ATOM 9 C1' G A 1 6.785 -6.284 2.901 1.00 0.00 C ATOM 10 N9 G A 1 5.592 -5.468 2.607 1.00 0.00 N ATOM 11 C8 G A 1 4.271 -5.783 2.768 1.00 0.00 C ATOM 12 N7 G A 1 3.451 -4.831 2.419 1.00 0.00 N ATOM 13 C5 G A 1 4.292 -3.802 2.005 1.00 0.00 C ATOM 14 C6 G A 1 3.978 -2.496 1.525 1.00 0.00 C ATOM 15 O6 G A 1 2.871 -1.994 1.344 1.00 0.00 O ATOM 16 N1 G A 1 5.127 -1.763 1.252 1.00 0.00 N ATOM 17 C2 G A 1 6.416 -2.224 1.408 1.00 0.00 C ATOM 18 N2 G A 1 7.401 -1.375 1.101 1.00 0.00 N ATOM 19 N3 G A 1 6.714 -3.451 1.846 1.00 0.00 N ATOM 20 C4 G A 1 5.607 -4.182 2.128 1.00 0.00 C ATOM 0 H5' G A 1 5.993 -9.585 5.681 1.00 0.00 H new ATOM 0 H5'' G A 1 4.771 -8.941 4.602 1.00 0.00 H new ATOM 0 H4' G A 1 7.752 -8.627 4.260 1.00 0.00 H new ATOM 0 H3' G A 1 5.643 -6.747 5.473 1.00 0.00 H new ATOM 0 H2' G A 1 7.094 -4.907 4.603 1.00 0.00 H new ATOM 0 HO2' G A 1 8.961 -6.709 5.013 1.00 0.00 H new ATOM 0 HO5' G A 1 5.356 -11.121 4.063 1.00 0.00 H new ATOM 0 H1' G A 1 7.531 -6.094 2.130 1.00 0.00 H new ATOM 0 H8 G A 1 3.936 -6.736 3.150 1.00 0.00 H new ATOM 0 H1 G A 1 5.007 -0.810 0.910 1.00 0.00 H new ATOM 0 H21 G A 1 8.374 -1.666 1.198 1.00 0.00 H new ATOM 0 H22 G A 1 7.180 -0.436 0.769 1.00 0.00 H new ATOM 33 P A A 2 7.091 -6.174 7.621 1.00 0.00 P ATOM 34 OP1 A A 2 8.012 -6.565 8.712 1.00 0.00 O ATOM 35 OP2 A A 2 5.633 -6.138 7.872 1.00 0.00 O ATOM 36 O5' A A 2 7.539 -4.722 7.081 1.00 0.00 O ATOM 37 C5' A A 2 8.904 -4.374 6.965 1.00 0.00 C ATOM 38 C4' A A 2 9.019 -2.944 6.429 1.00 0.00 C ATOM 39 O4' A A 2 8.368 -2.806 5.170 1.00 0.00 O ATOM 40 C3' A A 2 8.334 -1.939 7.328 1.00 0.00 C ATOM 41 O3' A A 2 9.097 -1.638 8.486 1.00 0.00 O ATOM 42 C2' A A 2 8.238 -0.768 6.389 1.00 0.00 C ATOM 43 O2' A A 2 9.505 -0.158 6.267 1.00 0.00 O ATOM 44 C1' A A 2 7.902 -1.451 5.068 1.00 0.00 C ATOM 45 N9 A A 2 6.440 -1.426 4.844 1.00 0.00 N ATOM 46 C8 A A 2 5.527 -2.436 4.996 1.00 0.00 C ATOM 47 N7 A A 2 4.303 -2.094 4.695 1.00 0.00 N ATOM 48 C5 A A 2 4.413 -0.758 4.323 1.00 0.00 C ATOM 49 C6 A A 2 3.470 0.195 3.890 1.00 0.00 C ATOM 50 N6 A A 2 2.167 -0.074 3.742 1.00 0.00 N ATOM 51 N1 A A 2 3.915 1.435 3.617 1.00 0.00 N ATOM 52 C2 A A 2 5.210 1.702 3.762 1.00 0.00 C ATOM 53 N3 A A 2 6.191 0.898 4.150 1.00 0.00 N ATOM 54 C4 A A 2 5.712 -0.340 4.419 1.00 0.00 C ATOM 0 H5' A A 2 9.412 -5.068 6.295 1.00 0.00 H new ATOM 0 H5'' A A 2 9.394 -4.451 7.935 1.00 0.00 H new ATOM 0 H4' A A 2 10.091 -2.757 6.363 1.00 0.00 H new ATOM 0 H3' A A 2 7.383 -2.274 7.741 1.00 0.00 H new ATOM 0 H2' A A 2 7.526 -0.005 6.705 1.00 0.00 H new ATOM 0 HO2' A A 2 10.090 -0.472 6.988 1.00 0.00 H new ATOM 0 H1' A A 2 8.375 -0.941 4.229 1.00 0.00 H new ATOM 0 H8 A A 2 5.795 -3.426 5.334 1.00 0.00 H new ATOM 0 H61 A A 2 1.528 0.655 3.425 1.00 0.00 H new ATOM 0 H62 A A 2 1.813 -1.008 3.946 1.00 0.00 H new ATOM 0 H2 A A 2 5.504 2.715 3.532 1.00 0.00 H new ATOM 66 P G A 3 8.418 -0.923 9.770 1.00 0.00 P ATOM 67 OP1 G A 3 9.466 -0.735 10.798 1.00 0.00 O ATOM 68 OP2 G A 3 7.188 -1.672 10.108 1.00 0.00 O ATOM 69 O5' G A 3 7.981 0.533 9.233 1.00 0.00 O ATOM 70 C5' G A 3 8.922 1.581 9.098 1.00 0.00 C ATOM 71 C4' G A 3 8.203 2.818 8.561 1.00 0.00 C ATOM 72 O4' G A 3 7.566 2.530 7.321 1.00 0.00 O ATOM 73 C3' G A 3 7.102 3.284 9.476 1.00 0.00 C ATOM 74 O3' G A 3 7.612 4.012 10.583 1.00 0.00 O ATOM 75 C2' G A 3 6.333 4.166 8.518 1.00 0.00 C ATOM 76 O2' G A 3 6.990 5.407 8.367 1.00 0.00 O ATOM 77 C1' G A 3 6.437 3.399 7.203 1.00 0.00 C ATOM 78 N9 G A 3 5.198 2.623 7.005 1.00 0.00 N ATOM 79 C8 G A 3 4.961 1.290 7.219 1.00 0.00 C ATOM 80 N7 G A 3 3.730 0.927 6.982 1.00 0.00 N ATOM 81 C5 G A 3 3.105 2.107 6.587 1.00 0.00 C ATOM 82 C6 G A 3 1.752 2.347 6.203 1.00 0.00 C ATOM 83 O6 G A 3 0.826 1.543 6.123 1.00 0.00 O ATOM 84 N1 G A 3 1.538 3.686 5.894 1.00 0.00 N ATOM 85 C2 G A 3 2.500 4.671 5.940 1.00 0.00 C ATOM 86 N2 G A 3 2.114 5.906 5.611 1.00 0.00 N ATOM 87 N3 G A 3 3.769 4.448 6.289 1.00 0.00 N ATOM 88 C4 G A 3 3.999 3.149 6.600 1.00 0.00 C ATOM 0 H5' G A 3 9.723 1.285 8.420 1.00 0.00 H new ATOM 0 H5'' G A 3 9.384 1.800 10.061 1.00 0.00 H new ATOM 0 H4' G A 3 8.974 3.582 8.465 1.00 0.00 H new ATOM 0 H3' G A 3 6.516 2.492 9.941 1.00 0.00 H new ATOM 0 H2' G A 3 5.313 4.369 8.846 1.00 0.00 H new ATOM 0 HO2' G A 3 6.485 5.971 7.744 1.00 0.00 H new ATOM 0 H1' G A 3 6.562 4.065 6.349 1.00 0.00 H new ATOM 0 H8 G A 3 5.724 0.602 7.553 1.00 0.00 H new ATOM 0 H1 G A 3 0.597 3.960 5.612 1.00 0.00 H new ATOM 0 H21 G A 3 2.787 6.672 5.628 1.00 0.00 H new ATOM 0 H22 G A 3 1.146 6.083 5.342 1.00 0.00 H new ATOM 100 P G A 4 6.629 4.592 11.730 1.00 0.00 P ATOM 101 OP1 G A 4 7.466 5.043 12.863 1.00 0.00 O ATOM 102 OP2 G A 4 5.561 3.594 11.960 1.00 0.00 O ATOM 103 O5' G A 4 5.955 5.900 11.058 1.00 0.00 O ATOM 104 C5' G A 4 6.701 7.089 10.860 1.00 0.00 C ATOM 105 C4' G A 4 5.781 8.192 10.318 1.00 0.00 C ATOM 106 O4' G A 4 5.186 7.814 9.074 1.00 0.00 O ATOM 107 C3' G A 4 4.629 8.480 11.262 1.00 0.00 C ATOM 108 O3' G A 4 4.998 9.371 12.298 1.00 0.00 O ATOM 109 C2' G A 4 3.655 9.131 10.314 1.00 0.00 C ATOM 110 O2' G A 4 4.078 10.452 10.044 1.00 0.00 O ATOM 111 C1' G A 4 3.834 8.304 9.052 1.00 0.00 C ATOM 112 N9 G A 4 2.901 7.161 9.029 1.00 0.00 N ATOM 113 C8 G A 4 3.173 5.841 9.247 1.00 0.00 C ATOM 114 N7 G A 4 2.152 5.049 9.078 1.00 0.00 N ATOM 115 C5 G A 4 1.119 5.911 8.722 1.00 0.00 C ATOM 116 C6 G A 4 -0.242 5.625 8.403 1.00 0.00 C ATOM 117 O6 G A 4 -0.802 4.533 8.360 1.00 0.00 O ATOM 118 N1 G A 4 -0.956 6.783 8.122 1.00 0.00 N ATOM 119 C2 G A 4 -0.428 8.057 8.120 1.00 0.00 C ATOM 120 N2 G A 4 -1.268 9.055 7.825 1.00 0.00 N ATOM 121 N3 G A 4 0.853 8.328 8.401 1.00 0.00 N ATOM 122 C4 G A 4 1.566 7.210 8.697 1.00 0.00 C ATOM 0 H5' G A 4 7.517 6.906 10.161 1.00 0.00 H new ATOM 0 H5'' G A 4 7.152 7.407 11.800 1.00 0.00 H new ATOM 0 H4' G A 4 6.418 9.069 10.202 1.00 0.00 H new ATOM 0 H3' G A 4 4.252 7.601 11.786 1.00 0.00 H new ATOM 0 H2' G A 4 2.633 9.171 10.691 1.00 0.00 H new ATOM 0 HO2' G A 4 4.544 10.813 10.827 1.00 0.00 H new ATOM 0 H1' G A 4 3.632 8.911 8.169 1.00 0.00 H new ATOM 0 H8 G A 4 4.151 5.484 9.535 1.00 0.00 H new ATOM 0 H1 G A 4 -1.947 6.683 7.900 1.00 0.00 H new ATOM 0 H21 G A 4 -0.931 10.018 7.809 1.00 0.00 H new ATOM 0 H22 G A 4 -2.246 8.854 7.616 1.00 0.00 H new ATOM 134 P U A 5 4.167 9.424 13.679 1.00 0.00 P ATOM 135 OP1 U A 5 4.580 10.637 14.419 1.00 0.00 O ATOM 136 OP2 U A 5 4.278 8.098 14.323 1.00 0.00 O ATOM 137 O5' U A 5 2.639 9.618 13.206 1.00 0.00 O ATOM 138 C5' U A 5 2.142 10.872 12.790 1.00 0.00 C ATOM 139 C4' U A 5 0.648 10.745 12.459 1.00 0.00 C ATOM 140 O4' U A 5 0.385 9.967 11.284 1.00 0.00 O ATOM 141 C3' U A 5 -0.130 10.094 13.570 1.00 0.00 C ATOM 142 O3' U A 5 -0.367 10.973 14.653 1.00 0.00 O ATOM 143 C2' U A 5 -1.388 9.777 12.811 1.00 0.00 C ATOM 144 O2' U A 5 -2.114 10.963 12.562 1.00 0.00 O ATOM 145 C1' U A 5 -0.848 9.252 11.502 1.00 0.00 C ATOM 146 N1 U A 5 -0.558 7.802 11.589 1.00 0.00 N ATOM 147 C2 U A 5 -1.568 6.898 11.277 1.00 0.00 C ATOM 148 O2 U A 5 -2.709 7.255 10.987 1.00 0.00 O ATOM 149 N3 U A 5 -1.215 5.557 11.310 1.00 0.00 N ATOM 150 C4 U A 5 0.037 5.051 11.623 1.00 0.00 C ATOM 151 O4 U A 5 0.242 3.841 11.617 1.00 0.00 O ATOM 152 C5 U A 5 1.020 6.065 11.935 1.00 0.00 C ATOM 153 C6 U A 5 0.695 7.377 11.904 1.00 0.00 C ATOM 0 H5' U A 5 2.691 11.221 11.915 1.00 0.00 H new ATOM 0 H5'' U A 5 2.290 11.613 13.576 1.00 0.00 H new ATOM 0 H4' U A 5 0.333 11.777 12.304 1.00 0.00 H new ATOM 0 H3' U A 5 0.360 9.247 14.050 1.00 0.00 H new ATOM 0 H2' U A 5 -2.052 9.091 13.336 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.886 11.634 13.239 1.00 0.00 H new ATOM 0 H1' U A 5 -1.569 9.393 10.697 1.00 0.00 H new ATOM 0 H3 U A 5 -1.944 4.881 11.083 1.00 0.00 H new ATOM 0 H5 U A 5 2.026 5.771 12.196 1.00 0.00 H new ATOM 0 H6 U A 5 1.453 8.110 12.136 1.00 0.00 H new ATOM 164 P C A 6 -0.790 10.400 16.101 1.00 0.00 P ATOM 165 OP1 C A 6 -1.077 11.549 16.988 1.00 0.00 O ATOM 166 OP2 C A 6 0.217 9.394 16.504 1.00 0.00 O ATOM 167 O5' C A 6 -2.171 9.631 15.811 1.00 0.00 O ATOM 168 C5' C A 6 -3.377 10.341 15.643 1.00 0.00 C ATOM 169 C4' C A 6 -4.496 9.360 15.296 1.00 0.00 C ATOM 170 O4' C A 6 -4.223 8.653 14.086 1.00 0.00 O ATOM 171 C3' C A 6 -4.676 8.292 16.353 1.00 0.00 C ATOM 172 O3' C A 6 -5.374 8.759 17.489 1.00 0.00 O ATOM 173 C2' C A 6 -5.480 7.288 15.567 1.00 0.00 C ATOM 174 O2' C A 6 -6.813 7.738 15.425 1.00 0.00 O ATOM 175 C1' C A 6 -4.797 7.342 14.205 1.00 0.00 C ATOM 176 N1 C A 6 -3.743 6.299 14.139 1.00 0.00 N ATOM 177 C2 C A 6 -4.165 4.994 13.932 1.00 0.00 C ATOM 178 O2 C A 6 -5.355 4.755 13.753 1.00 0.00 O ATOM 179 N3 C A 6 -3.233 4.003 13.939 1.00 0.00 N ATOM 180 C4 C A 6 -1.939 4.276 14.146 1.00 0.00 C ATOM 181 N4 C A 6 -1.061 3.268 14.158 1.00 0.00 N ATOM 182 C5 C A 6 -1.483 5.621 14.343 1.00 0.00 C ATOM 183 C6 C A 6 -2.419 6.595 14.324 1.00 0.00 C ATOM 0 H5' C A 6 -3.269 11.082 14.851 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.623 10.883 16.556 1.00 0.00 H new ATOM 0 H4' C A 6 -5.388 9.980 15.209 1.00 0.00 H new ATOM 0 H3' C A 6 -3.747 7.913 16.778 1.00 0.00 H new ATOM 0 H2' C A 6 -5.517 6.300 16.025 1.00 0.00 H new ATOM 0 HO2' C A 6 -6.983 8.462 16.063 1.00 0.00 H new ATOM 0 H1' C A 6 -5.499 7.157 13.392 1.00 0.00 H new ATOM 0 H41 C A 6 -0.071 3.456 14.314 1.00 0.00 H new ATOM 0 H42 C A 6 -1.381 2.311 14.011 1.00 0.00 H new ATOM 0 H5 C A 6 -0.438 5.845 14.500 1.00 0.00 H new ATOM 0 H6 C A 6 -2.118 7.624 14.457 1.00 0.00 H new ATOM 195 P U A 7 -5.359 7.919 18.868 1.00 0.00 P ATOM 196 OP1 U A 7 -6.203 8.634 19.851 1.00 0.00 O ATOM 197 OP2 U A 7 -3.949 7.615 19.198 1.00 0.00 O ATOM 198 O5' U A 7 -6.091 6.532 18.494 1.00 0.00 O ATOM 199 C5' U A 7 -7.492 6.470 18.325 1.00 0.00 C ATOM 200 C4' U A 7 -7.916 5.020 18.077 1.00 0.00 C ATOM 201 O4' U A 7 -7.308 4.476 16.901 1.00 0.00 O ATOM 202 C3' U A 7 -7.484 4.099 19.200 1.00 0.00 C ATOM 203 O3' U A 7 -8.304 4.199 20.348 1.00 0.00 O ATOM 204 C2' U A 7 -7.645 2.770 18.514 1.00 0.00 C ATOM 205 O2' U A 7 -9.015 2.434 18.429 1.00 0.00 O ATOM 206 C1' U A 7 -7.130 3.061 17.113 1.00 0.00 C ATOM 207 N1 U A 7 -5.698 2.677 16.992 1.00 0.00 N ATOM 208 C2 U A 7 -5.417 1.323 16.858 1.00 0.00 C ATOM 209 O2 U A 7 -6.300 0.468 16.857 1.00 0.00 O ATOM 210 N3 U A 7 -4.084 0.982 16.722 1.00 0.00 N ATOM 211 C4 U A 7 -3.015 1.861 16.711 1.00 0.00 C ATOM 212 O4 U A 7 -1.866 1.441 16.594 1.00 0.00 O ATOM 213 C5 U A 7 -3.393 3.253 16.840 1.00 0.00 C ATOM 214 C6 U A 7 -4.693 3.614 16.970 1.00 0.00 C ATOM 0 H5' U A 7 -7.795 7.097 17.486 1.00 0.00 H new ATOM 0 H5'' U A 7 -7.993 6.859 19.211 1.00 0.00 H new ATOM 0 H4' U A 7 -9.001 5.065 17.987 1.00 0.00 H new ATOM 0 H3' U A 7 -6.490 4.309 19.594 1.00 0.00 H new ATOM 0 H2' U A 7 -7.135 1.954 19.026 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.114 1.459 18.446 1.00 0.00 H new ATOM 0 H1' U A 7 -7.672 2.485 16.363 1.00 0.00 H new ATOM 0 H3 U A 7 -3.868 -0.010 16.620 1.00 0.00 H new ATOM 0 H5 U A 7 -2.628 4.015 16.833 1.00 0.00 H new ATOM 0 H6 U A 7 -4.944 4.661 17.058 1.00 0.00 H new ATOM 225 P C A 8 -7.864 3.497 21.738 1.00 0.00 P ATOM 226 OP1 C A 8 -8.921 3.757 22.740 1.00 0.00 O ATOM 227 OP2 C A 8 -6.469 3.896 22.026 1.00 0.00 O ATOM 228 O5' C A 8 -7.870 1.917 21.405 1.00 0.00 O ATOM 229 C5' C A 8 -9.081 1.196 21.311 1.00 0.00 C ATOM 230 C4' C A 8 -8.786 -0.281 21.025 1.00 0.00 C ATOM 231 O4' C A 8 -8.062 -0.456 19.812 1.00 0.00 O ATOM 232 C3' C A 8 -7.907 -0.911 22.082 1.00 0.00 C ATOM 233 O3' C A 8 -8.606 -1.202 23.272 1.00 0.00 O ATOM 234 C2' C A 8 -7.472 -2.161 21.373 1.00 0.00 C ATOM 235 O2' C A 8 -8.520 -3.110 21.390 1.00 0.00 O ATOM 236 C1' C A 8 -7.270 -1.652 19.945 1.00 0.00 C ATOM 237 N1 C A 8 -5.828 -1.358 19.722 1.00 0.00 N ATOM 238 C2 C A 8 -4.980 -2.438 19.502 1.00 0.00 C ATOM 239 O2 C A 8 -5.429 -3.581 19.470 1.00 0.00 O ATOM 240 N3 C A 8 -3.650 -2.191 19.327 1.00 0.00 N ATOM 241 C4 C A 8 -3.172 -0.939 19.368 1.00 0.00 C ATOM 242 N4 C A 8 -1.863 -0.741 19.180 1.00 0.00 N ATOM 243 C5 C A 8 -4.032 0.181 19.602 1.00 0.00 C ATOM 244 C6 C A 8 -5.346 -0.080 19.769 1.00 0.00 C ATOM 0 H5' C A 8 -9.702 1.612 20.518 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.644 1.291 22.240 1.00 0.00 H new ATOM 0 H4' C A 8 -9.771 -0.746 20.988 1.00 0.00 H new ATOM 0 H3' C A 8 -7.094 -0.268 22.420 1.00 0.00 H new ATOM 0 H2' C A 8 -6.597 -2.642 21.810 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.015 -3.036 22.233 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.994 -1.608 23.920 1.00 0.00 H new ATOM 0 H1' C A 8 -7.576 -2.394 19.207 1.00 0.00 H new ATOM 0 H41 C A 8 -1.481 0.204 19.208 1.00 0.00 H new ATOM 0 H42 C A 8 -1.246 -1.535 19.009 1.00 0.00 H new ATOM 0 H5 C A 8 -3.647 1.189 19.643 1.00 0.00 H new ATOM 0 H6 C A 8 -6.030 0.737 19.943 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.826 -9.003 15.672 1.00 0.00 O ATOM 259 C5' G B 9 3.312 -10.290 15.939 1.00 0.00 C ATOM 260 C4' G B 9 1.847 -10.189 16.370 1.00 0.00 C ATOM 261 O4' G B 9 1.708 -9.439 17.574 1.00 0.00 O ATOM 262 C3' G B 9 0.988 -9.466 15.350 1.00 0.00 C ATOM 263 O3' G B 9 0.648 -10.288 14.250 1.00 0.00 O ATOM 264 C2' G B 9 -0.211 -9.136 16.203 1.00 0.00 C ATOM 265 O2' G B 9 -1.010 -10.287 16.383 1.00 0.00 O ATOM 266 C1' G B 9 0.435 -8.776 17.536 1.00 0.00 C ATOM 267 N9 G B 9 0.628 -7.314 17.608 1.00 0.00 N ATOM 268 C8 G B 9 1.735 -6.576 17.286 1.00 0.00 C ATOM 269 N7 G B 9 1.589 -5.293 17.468 1.00 0.00 N ATOM 270 C5 G B 9 0.285 -5.170 17.938 1.00 0.00 C ATOM 271 C6 G B 9 -0.451 -4.005 18.305 1.00 0.00 C ATOM 272 O6 G B 9 -0.076 -2.834 18.304 1.00 0.00 O ATOM 273 N1 G B 9 -1.746 -4.321 18.700 1.00 0.00 N ATOM 274 C2 G B 9 -2.270 -5.595 18.746 1.00 0.00 C ATOM 275 N2 G B 9 -3.540 -5.710 19.146 1.00 0.00 N ATOM 276 N3 G B 9 -1.580 -6.690 18.412 1.00 0.00 N ATOM 277 C4 G B 9 -0.314 -6.403 18.017 1.00 0.00 C ATOM 0 H5' G B 9 3.898 -10.769 16.723 1.00 0.00 H new ATOM 0 H5'' G B 9 3.396 -10.916 15.050 1.00 0.00 H new ATOM 0 H4' G B 9 1.523 -11.223 16.491 1.00 0.00 H new ATOM 0 H3' G B 9 1.468 -8.608 14.879 1.00 0.00 H new ATOM 0 H2' G B 9 -0.847 -8.359 15.778 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.785 -10.063 16.939 1.00 0.00 H new ATOM 0 HO5' G B 9 4.764 -9.076 15.399 1.00 0.00 H new ATOM 0 H1' G B 9 -0.189 -9.083 18.376 1.00 0.00 H new ATOM 0 H8 G B 9 2.648 -7.017 16.914 1.00 0.00 H new ATOM 0 H1 G B 9 -2.355 -3.551 18.977 1.00 0.00 H new ATOM 0 H21 G B 9 -3.977 -6.630 19.198 1.00 0.00 H new ATOM 0 H22 G B 9 -4.072 -4.878 19.399 1.00 0.00 H new ATOM 290 P A B 10 0.049 -9.647 12.894 1.00 0.00 P ATOM 291 OP1 A B 10 -0.265 -10.752 11.962 1.00 0.00 O ATOM 292 OP2 A B 10 0.961 -8.563 12.465 1.00 0.00 O ATOM 293 O5' A B 10 -1.338 -8.973 13.360 1.00 0.00 O ATOM 294 C5' A B 10 -2.484 -9.761 13.612 1.00 0.00 C ATOM 295 C4' A B 10 -3.636 -8.850 14.040 1.00 0.00 C ATOM 296 O4' A B 10 -3.295 -8.096 15.196 1.00 0.00 O ATOM 297 C3' A B 10 -3.962 -7.813 12.987 1.00 0.00 C ATOM 298 O3' A B 10 -4.708 -8.359 11.911 1.00 0.00 O ATOM 299 C2' A B 10 -4.762 -6.831 13.804 1.00 0.00 C ATOM 300 O2' A B 10 -6.074 -7.320 13.991 1.00 0.00 O ATOM 301 C1' A B 10 -4.029 -6.865 15.147 1.00 0.00 C ATOM 302 N9 A B 10 -3.107 -5.712 15.257 1.00 0.00 N ATOM 303 C8 A B 10 -1.748 -5.664 15.064 1.00 0.00 C ATOM 304 N7 A B 10 -1.229 -4.480 15.245 1.00 0.00 N ATOM 305 C5 A B 10 -2.321 -3.685 15.583 1.00 0.00 C ATOM 306 C6 A B 10 -2.445 -2.318 15.903 1.00 0.00 C ATOM 307 N6 A B 10 -1.410 -1.471 15.932 1.00 0.00 N ATOM 308 N1 A B 10 -3.676 -1.854 16.191 1.00 0.00 N ATOM 309 C2 A B 10 -4.706 -2.695 16.164 1.00 0.00 C ATOM 310 N3 A B 10 -4.719 -3.991 15.881 1.00 0.00 N ATOM 311 C4 A B 10 -3.469 -4.428 15.595 1.00 0.00 C ATOM 0 H5' A B 10 -2.273 -10.492 14.393 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.760 -10.320 12.718 1.00 0.00 H new ATOM 0 H4' A B 10 -4.477 -9.521 14.216 1.00 0.00 H new ATOM 0 H3' A B 10 -3.093 -7.380 12.492 1.00 0.00 H new ATOM 0 H2' A B 10 -4.840 -5.843 13.351 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.221 -8.093 13.407 1.00 0.00 H new ATOM 0 H1' A B 10 -4.735 -6.803 15.975 1.00 0.00 H new ATOM 0 H8 A B 10 -1.162 -6.528 14.787 1.00 0.00 H new ATOM 0 H61 A B 10 -1.560 -0.491 16.171 1.00 0.00 H new ATOM 0 H62 A B 10 -0.471 -1.806 15.715 1.00 0.00 H new ATOM 0 H2 A B 10 -5.666 -2.263 16.406 1.00 0.00 H new ATOM 323 P G B 11 -4.841 -7.572 10.504 1.00 0.00 P ATOM 324 OP1 G B 11 -5.715 -8.368 9.613 1.00 0.00 O ATOM 325 OP2 G B 11 -3.478 -7.208 10.058 1.00 0.00 O ATOM 326 O5' G B 11 -5.618 -6.216 10.885 1.00 0.00 O ATOM 327 C5' G B 11 -7.009 -6.213 11.140 1.00 0.00 C ATOM 328 C4' G B 11 -7.424 -4.800 11.545 1.00 0.00 C ATOM 329 O4' G B 11 -6.687 -4.372 12.681 1.00 0.00 O ATOM 330 C3' G B 11 -7.121 -3.779 10.482 1.00 0.00 C ATOM 331 O3' G B 11 -8.065 -3.808 9.423 1.00 0.00 O ATOM 332 C2' G B 11 -7.239 -2.521 11.310 1.00 0.00 C ATOM 333 O2' G B 11 -8.598 -2.180 11.475 1.00 0.00 O ATOM 334 C1' G B 11 -6.685 -2.948 12.668 1.00 0.00 C ATOM 335 N9 G B 11 -5.322 -2.412 12.820 1.00 0.00 N ATOM 336 C8 G B 11 -4.112 -3.031 12.644 1.00 0.00 C ATOM 337 N7 G B 11 -3.086 -2.240 12.807 1.00 0.00 N ATOM 338 C5 G B 11 -3.661 -1.008 13.110 1.00 0.00 C ATOM 339 C6 G B 11 -3.050 0.252 13.385 1.00 0.00 C ATOM 340 O6 G B 11 -1.853 0.529 13.427 1.00 0.00 O ATOM 341 N1 G B 11 -4.001 1.238 13.625 1.00 0.00 N ATOM 342 C2 G B 11 -5.365 1.041 13.612 1.00 0.00 C ATOM 343 N2 G B 11 -6.133 2.100 13.875 1.00 0.00 N ATOM 344 N3 G B 11 -5.937 -0.136 13.361 1.00 0.00 N ATOM 345 C4 G B 11 -5.029 -1.110 13.119 1.00 0.00 C ATOM 0 H5' G B 11 -7.250 -6.921 11.933 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.558 -6.529 10.253 1.00 0.00 H new ATOM 0 H4' G B 11 -8.496 -4.859 11.731 1.00 0.00 H new ATOM 0 H3' G B 11 -6.168 -3.914 9.970 1.00 0.00 H new ATOM 0 H2' G B 11 -6.728 -1.669 10.862 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.668 -1.364 12.013 1.00 0.00 H new ATOM 0 H1' G B 11 -7.284 -2.568 13.496 1.00 0.00 H new ATOM 0 H8 G B 11 -4.016 -4.077 12.393 1.00 0.00 H new ATOM 0 H1 G B 11 -3.663 2.179 13.826 1.00 0.00 H new ATOM 0 H21 G B 11 -7.149 2.005 13.877 1.00 0.00 H new ATOM 0 H22 G B 11 -5.704 3.004 14.074 1.00 0.00 H new ATOM 357 P G B 12 -7.931 -2.810 8.154 1.00 0.00 P ATOM 358 OP1 G B 12 -8.898 -3.249 7.124 1.00 0.00 O ATOM 359 OP2 G B 12 -6.495 -2.703 7.811 1.00 0.00 O ATOM 360 O5' G B 12 -8.420 -1.372 8.715 1.00 0.00 O ATOM 361 C5' G B 12 -9.790 -1.114 8.973 1.00 0.00 C ATOM 362 C4' G B 12 -9.970 0.351 9.396 1.00 0.00 C ATOM 363 O4' G B 12 -9.197 0.658 10.559 1.00 0.00 O ATOM 364 C3' G B 12 -9.499 1.312 8.321 1.00 0.00 C ATOM 365 O3' G B 12 -10.485 1.520 7.328 1.00 0.00 O ATOM 366 C2' G B 12 -9.287 2.558 9.142 1.00 0.00 C ATOM 367 O2' G B 12 -10.538 3.147 9.437 1.00 0.00 O ATOM 368 C1' G B 12 -8.710 2.004 10.431 1.00 0.00 C ATOM 369 N9 G B 12 -7.237 1.997 10.386 1.00 0.00 N ATOM 370 C8 G B 12 -6.394 0.928 10.280 1.00 0.00 C ATOM 371 N7 G B 12 -5.128 1.239 10.340 1.00 0.00 N ATOM 372 C5 G B 12 -5.132 2.623 10.495 1.00 0.00 C ATOM 373 C6 G B 12 -4.043 3.535 10.625 1.00 0.00 C ATOM 374 O6 G B 12 -2.840 3.291 10.638 1.00 0.00 O ATOM 375 N1 G B 12 -4.486 4.848 10.742 1.00 0.00 N ATOM 376 C2 G B 12 -5.807 5.238 10.755 1.00 0.00 C ATOM 377 N2 G B 12 -6.042 6.549 10.875 1.00 0.00 N ATOM 378 N3 G B 12 -6.832 4.385 10.649 1.00 0.00 N ATOM 379 C4 G B 12 -6.422 3.097 10.519 1.00 0.00 C ATOM 0 H5' G B 12 -10.153 -1.777 9.759 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.383 -1.321 8.082 1.00 0.00 H new ATOM 0 H4' G B 12 -11.037 0.468 9.584 1.00 0.00 H new ATOM 0 H3' G B 12 -8.626 0.969 7.766 1.00 0.00 H new ATOM 0 H2' G B 12 -8.666 3.305 8.647 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.197 2.869 8.767 1.00 0.00 H new ATOM 0 H1' G B 12 -9.010 2.621 11.278 1.00 0.00 H new ATOM 0 H8 G B 12 -6.744 -0.086 10.157 1.00 0.00 H new ATOM 0 H1 G B 12 -3.779 5.578 10.825 1.00 0.00 H new ATOM 0 H21 G B 12 -7.001 6.896 10.890 1.00 0.00 H new ATOM 0 H22 G B 12 -5.262 7.202 10.951 1.00 0.00 H new ATOM 391 P U B 13 -10.091 2.114 5.883 1.00 0.00 P ATOM 392 OP1 U B 13 -11.338 2.508 5.190 1.00 0.00 O ATOM 393 OP2 U B 13 -9.166 1.156 5.239 1.00 0.00 O ATOM 394 O5' U B 13 -9.258 3.452 6.220 1.00 0.00 O ATOM 395 C5' U B 13 -9.896 4.646 6.626 1.00 0.00 C ATOM 396 C4' U B 13 -8.842 5.755 6.762 1.00 0.00 C ATOM 397 O4' U B 13 -7.929 5.558 7.840 1.00 0.00 O ATOM 398 C3' U B 13 -8.027 5.906 5.516 1.00 0.00 C ATOM 399 O3' U B 13 -8.757 6.613 4.530 1.00 0.00 O ATOM 400 C2' U B 13 -6.875 6.701 6.062 1.00 0.00 C ATOM 401 O2' U B 13 -7.257 8.052 6.227 1.00 0.00 O ATOM 402 C1' U B 13 -6.654 6.078 7.431 1.00 0.00 C ATOM 403 N1 U B 13 -5.695 4.954 7.370 1.00 0.00 N ATOM 404 C2 U B 13 -4.346 5.219 7.574 1.00 0.00 C ATOM 405 O2 U B 13 -3.911 6.360 7.727 1.00 0.00 O ATOM 406 N3 U B 13 -3.507 4.116 7.601 1.00 0.00 N ATOM 407 C4 U B 13 -3.893 2.793 7.443 1.00 0.00 C ATOM 408 O4 U B 13 -3.062 1.891 7.474 1.00 0.00 O ATOM 409 C5 U B 13 -5.315 2.614 7.254 1.00 0.00 C ATOM 410 C6 U B 13 -6.151 3.678 7.228 1.00 0.00 C ATOM 0 H5' U B 13 -10.408 4.495 7.576 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.654 4.934 5.898 1.00 0.00 H new ATOM 0 H4' U B 13 -9.431 6.651 6.957 1.00 0.00 H new ATOM 0 H3' U B 13 -7.735 4.982 5.018 1.00 0.00 H new ATOM 0 H2' U B 13 -5.996 6.684 5.418 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.309 8.487 5.350 1.00 0.00 H new ATOM 0 H1' U B 13 -6.252 6.823 8.118 1.00 0.00 H new ATOM 0 H3 U B 13 -2.514 4.294 7.751 1.00 0.00 H new ATOM 0 H5 U B 13 -5.715 1.618 7.132 1.00 0.00 H new ATOM 0 H6 U B 13 -7.209 3.511 7.091 1.00 0.00 H new ATOM 421 P C B 14 -8.166 6.813 3.057 1.00 0.00 P ATOM 422 OP1 C B 14 -9.152 7.568 2.253 1.00 0.00 O ATOM 423 OP2 C B 14 -7.667 5.505 2.580 1.00 0.00 O ATOM 424 O5' C B 14 -6.910 7.765 3.339 1.00 0.00 O ATOM 425 C5' C B 14 -5.768 7.682 2.533 1.00 0.00 C ATOM 426 C4' C B 14 -4.652 8.539 3.120 1.00 0.00 C ATOM 427 O4' C B 14 -4.333 8.136 4.457 1.00 0.00 O ATOM 428 C3' C B 14 -3.409 8.344 2.282 1.00 0.00 C ATOM 429 O3' C B 14 -3.348 9.307 1.247 1.00 0.00 O ATOM 430 C2' C B 14 -2.302 8.507 3.288 1.00 0.00 C ATOM 431 O2' C B 14 -2.037 9.879 3.491 1.00 0.00 O ATOM 432 C1' C B 14 -2.923 7.926 4.558 1.00 0.00 C ATOM 433 N1 C B 14 -2.633 6.475 4.679 1.00 0.00 N ATOM 434 C2 C B 14 -1.318 6.115 4.944 1.00 0.00 C ATOM 435 O2 C B 14 -0.457 6.980 5.086 1.00 0.00 O ATOM 436 N3 C B 14 -1.016 4.791 5.041 1.00 0.00 N ATOM 437 C4 C B 14 -1.961 3.856 4.879 1.00 0.00 C ATOM 438 N4 C B 14 -1.618 2.568 4.970 1.00 0.00 N ATOM 439 C5 C B 14 -3.329 4.211 4.647 1.00 0.00 C ATOM 440 C6 C B 14 -3.621 5.527 4.571 1.00 0.00 C ATOM 0 H5' C B 14 -6.001 8.017 1.522 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.440 6.645 2.458 1.00 0.00 H new ATOM 0 H4' C B 14 -4.986 9.577 3.126 1.00 0.00 H new ATOM 0 H3' C B 14 -3.364 7.384 1.768 1.00 0.00 H new ATOM 0 H2' C B 14 -1.367 8.034 2.988 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.250 10.378 2.675 1.00 0.00 H new ATOM 0 H1' C B 14 -2.508 8.411 5.442 1.00 0.00 H new ATOM 0 H41 C B 14 -2.325 1.842 4.849 1.00 0.00 H new ATOM 0 H42 C B 14 -0.650 2.310 5.160 1.00 0.00 H new ATOM 0 H5 C B 14 -4.095 3.458 4.537 1.00 0.00 H new ATOM 0 H6 C B 14 -4.645 5.838 4.423 1.00 0.00 H new ATOM 452 P U B 15 -2.373 9.108 -0.011 1.00 0.00 P ATOM 453 OP1 U B 15 -2.507 10.289 -0.892 1.00 0.00 O ATOM 454 OP2 U B 15 -2.614 7.753 -0.557 1.00 0.00 O ATOM 455 O5' U B 15 -0.905 9.131 0.636 1.00 0.00 O ATOM 456 C5' U B 15 0.132 8.401 0.030 1.00 0.00 C ATOM 457 C4' U B 15 1.447 8.582 0.784 1.00 0.00 C ATOM 458 O4' U B 15 1.346 8.138 2.145 1.00 0.00 O ATOM 459 C3' U B 15 2.501 7.719 0.118 1.00 0.00 C ATOM 460 O3' U B 15 3.194 8.415 -0.900 1.00 0.00 O ATOM 461 C2' U B 15 3.392 7.367 1.273 1.00 0.00 C ATOM 462 O2' U B 15 4.221 8.463 1.595 1.00 0.00 O ATOM 463 C1' U B 15 2.377 7.173 2.390 1.00 0.00 C ATOM 464 N1 U B 15 1.791 5.804 2.397 1.00 0.00 N ATOM 465 C2 U B 15 2.642 4.745 2.681 1.00 0.00 C ATOM 466 O2 U B 15 3.844 4.906 2.879 1.00 0.00 O ATOM 467 N3 U B 15 2.062 3.490 2.743 1.00 0.00 N ATOM 468 C4 U B 15 0.717 3.204 2.587 1.00 0.00 C ATOM 469 O4 U B 15 0.316 2.044 2.651 1.00 0.00 O ATOM 470 C5 U B 15 -0.114 4.370 2.368 1.00 0.00 C ATOM 471 C6 U B 15 0.432 5.606 2.285 1.00 0.00 C ATOM 0 H5' U B 15 0.254 8.727 -1.003 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.132 7.344 0.002 1.00 0.00 H new ATOM 0 H4' U B 15 1.699 9.642 0.768 1.00 0.00 H new ATOM 0 H3' U B 15 2.092 6.849 -0.397 1.00 0.00 H new ATOM 0 H2' U B 15 4.043 6.513 1.087 1.00 0.00 H new ATOM 0 HO2' U B 15 4.242 9.090 0.842 1.00 0.00 H new ATOM 0 H1' U B 15 2.857 7.301 3.360 1.00 0.00 H new ATOM 0 H3 U B 15 2.684 2.702 2.920 1.00 0.00 H new ATOM 0 H5 U B 15 -1.183 4.252 2.270 1.00 0.00 H new ATOM 0 H6 U B 15 -0.213 6.458 2.127 1.00 0.00 H new ATOM 482 P C B 16 3.951 7.616 -2.077 1.00 0.00 P ATOM 483 OP1 C B 16 4.669 8.601 -2.916 1.00 0.00 O ATOM 484 OP2 C B 16 2.975 6.695 -2.700 1.00 0.00 O ATOM 485 O5' C B 16 5.045 6.727 -1.303 1.00 0.00 O ATOM 486 C5' C B 16 6.220 7.305 -0.777 1.00 0.00 C ATOM 487 C4' C B 16 7.107 6.196 -0.211 1.00 0.00 C ATOM 488 O4' C B 16 6.474 5.514 0.868 1.00 0.00 O ATOM 489 C3' C B 16 7.380 5.123 -1.241 1.00 0.00 C ATOM 490 O3' C B 16 8.366 5.502 -2.178 1.00 0.00 O ATOM 491 C2' C B 16 7.836 3.999 -0.363 1.00 0.00 C ATOM 492 O2' C B 16 9.167 4.220 0.058 1.00 0.00 O ATOM 493 C1' C B 16 6.896 4.138 0.828 1.00 0.00 C ATOM 494 N1 C B 16 5.731 3.236 0.635 1.00 0.00 N ATOM 495 C2 C B 16 5.950 1.869 0.766 1.00 0.00 C ATOM 496 O2 C B 16 7.070 1.446 1.042 1.00 0.00 O ATOM 497 N3 C B 16 4.897 1.025 0.582 1.00 0.00 N ATOM 498 C4 C B 16 3.681 1.497 0.275 1.00 0.00 C ATOM 499 N4 C B 16 2.671 0.633 0.123 1.00 0.00 N ATOM 500 C5 C B 16 3.444 2.901 0.120 1.00 0.00 C ATOM 501 C6 C B 16 4.498 3.725 0.312 1.00 0.00 C ATOM 0 H5' C B 16 5.970 8.023 0.004 1.00 0.00 H new ATOM 0 H5'' C B 16 6.752 7.853 -1.555 1.00 0.00 H new ATOM 0 H4' C B 16 8.021 6.697 0.107 1.00 0.00 H new ATOM 0 H3' C B 16 6.522 4.886 -1.871 1.00 0.00 H new ATOM 0 H2' C B 16 7.816 3.022 -0.846 1.00 0.00 H new ATOM 0 HO2' C B 16 9.574 4.918 -0.496 1.00 0.00 H new ATOM 0 HO3' C B 16 8.505 4.774 -2.819 1.00 0.00 H new ATOM 0 H1' C B 16 7.383 3.865 1.764 1.00 0.00 H new ATOM 0 H41 C B 16 1.739 0.974 -0.111 1.00 0.00 H new ATOM 0 H42 C B 16 2.833 -0.367 0.241 1.00 0.00 H new ATOM 0 H5 C B 16 2.468 3.284 -0.138 1.00 0.00 H new ATOM 0 H6 C B 16 4.362 4.791 0.208 1.00 0.00 H new TER 514 C B 16