USER MOD reduce.3.24.130724 H: found=0, std=0, add=131, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 131 hydrogens (42 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= -0.836 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00278 USER MOD Single : A 2 G O2' : rot -154:sc= -0.0243 USER MOD Single : A 3 A O2' : rot -10:sc= -0.795 USER MOD Single : A 4 C O2' : rot -0:sc= -0.102 USER MOD Single : A 5 U5P O3' : rot 180:sc= 0 USER MOD Single : A 6 U5P O3' : rot 9:sc= 0.339 USER MOD Single : A 7 C5P O3' : rot 128:sc= 0.481 USER MOD Single : A 8 5GP O3' : rot 98:sc= 0.308 USER MOD Single : A 9 G O2' : rot 4:sc= -0.503 USER MOD Single : A 10 U O2' : rot -11:sc= 0.25 USER MOD Single : A 11 C O2' : rot -136:sc= -0.993 USER MOD Single : A 12 C O2' : rot -9:sc= 0.259 USER MOD Single : A 12 C O3' : rot 180:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.220 -6.763 2.083 1.00 0.00 O ATOM 2 C5' G A 1 5.968 -8.171 1.925 1.00 0.00 C ATOM 3 C4' G A 1 4.601 -8.594 2.449 1.00 0.00 C ATOM 4 O4' G A 1 4.437 -8.233 3.839 1.00 0.00 O ATOM 5 C3' G A 1 3.479 -7.907 1.695 1.00 0.00 C ATOM 6 O3' G A 1 3.042 -8.674 0.556 1.00 0.00 O ATOM 7 C2' G A 1 2.382 -7.771 2.707 1.00 0.00 C ATOM 8 O2' G A 1 1.406 -8.814 2.576 1.00 0.00 O ATOM 9 C1' G A 1 3.061 -7.830 4.056 1.00 0.00 C ATOM 10 N9 G A 1 2.960 -6.521 4.720 1.00 0.00 N ATOM 11 C8 G A 1 3.895 -5.567 4.920 1.00 0.00 C ATOM 12 N7 G A 1 3.528 -4.492 5.544 1.00 0.00 N ATOM 13 C5 G A 1 2.172 -4.760 5.792 1.00 0.00 C ATOM 14 C6 G A 1 1.176 -3.977 6.448 1.00 0.00 C ATOM 15 O6 G A 1 1.285 -2.867 6.963 1.00 0.00 O ATOM 16 N1 G A 1 -0.047 -4.630 6.470 1.00 0.00 N ATOM 17 C2 G A 1 -0.291 -5.872 5.933 1.00 0.00 C ATOM 18 N2 G A 1 -1.524 -6.330 6.042 1.00 0.00 N ATOM 19 N3 G A 1 0.625 -6.608 5.323 1.00 0.00 N ATOM 20 C4 G A 1 1.827 -6.001 5.286 1.00 0.00 C ATOM 0 H5' G A 1 6.741 -8.734 2.448 1.00 0.00 H new ATOM 0 H5'' G A 1 6.043 -8.432 0.869 1.00 0.00 H new ATOM 0 H4' G A 1 4.553 -9.675 2.316 1.00 0.00 H new ATOM 0 H3' G A 1 3.796 -6.948 1.285 1.00 0.00 H new ATOM 0 H2' G A 1 1.836 -6.837 2.570 1.00 0.00 H new ATOM 0 HO2' G A 1 0.706 -8.694 3.252 1.00 0.00 H new ATOM 0 HO5' G A 1 7.110 -6.549 1.732 1.00 0.00 H new ATOM 0 H1' G A 1 2.581 -8.555 4.714 1.00 0.00 H new ATOM 0 H8 G A 1 4.910 -5.695 4.573 1.00 0.00 H new ATOM 0 H1 G A 1 -0.827 -4.151 6.920 1.00 0.00 H new ATOM 0 H21 G A 1 -1.763 -7.246 5.662 1.00 0.00 H new ATOM 0 H22 G A 1 -2.238 -5.768 6.506 1.00 0.00 H new ATOM 33 P G A 2 2.068 -8.024 -0.564 1.00 0.00 P ATOM 34 OP1 G A 2 1.894 -9.018 -1.647 1.00 0.00 O ATOM 35 OP2 G A 2 2.579 -6.675 -0.886 1.00 0.00 O ATOM 36 O5' G A 2 0.650 -7.858 0.206 1.00 0.00 O ATOM 37 C5' G A 2 -0.301 -8.946 0.241 1.00 0.00 C ATOM 38 C4' G A 2 -1.641 -8.562 0.859 1.00 0.00 C ATOM 39 O4' G A 2 -1.476 -8.010 2.181 1.00 0.00 O ATOM 40 C3' G A 2 -2.356 -7.505 0.042 1.00 0.00 C ATOM 41 O3' G A 2 -3.208 -8.092 -0.959 1.00 0.00 O ATOM 42 C2' G A 2 -3.143 -6.718 1.044 1.00 0.00 C ATOM 43 O2' G A 2 -4.504 -7.174 1.111 1.00 0.00 O ATOM 44 C1' G A 2 -2.434 -6.934 2.365 1.00 0.00 C ATOM 45 N9 G A 2 -1.768 -5.696 2.808 1.00 0.00 N ATOM 46 C8 G A 2 -0.479 -5.330 2.685 1.00 0.00 C ATOM 47 N7 G A 2 -0.125 -4.188 3.169 1.00 0.00 N ATOM 48 C5 G A 2 -1.335 -3.716 3.684 1.00 0.00 C ATOM 49 C6 G A 2 -1.633 -2.500 4.353 1.00 0.00 C ATOM 50 O6 G A 2 -0.878 -1.573 4.641 1.00 0.00 O ATOM 51 N1 G A 2 -2.969 -2.431 4.694 1.00 0.00 N ATOM 52 C2 G A 2 -3.910 -3.401 4.432 1.00 0.00 C ATOM 53 N2 G A 2 -5.145 -3.147 4.828 1.00 0.00 N ATOM 54 N3 G A 2 -3.646 -4.543 3.811 1.00 0.00 N ATOM 55 C4 G A 2 -2.348 -4.639 3.463 1.00 0.00 C ATOM 0 H5' G A 2 0.127 -9.774 0.806 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.468 -9.305 -0.774 1.00 0.00 H new ATOM 0 H4' G A 2 -2.221 -9.484 0.890 1.00 0.00 H new ATOM 0 H3' G A 2 -1.658 -6.878 -0.513 1.00 0.00 H new ATOM 0 H2' G A 2 -3.193 -5.662 0.777 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.079 -6.444 1.421 1.00 0.00 H new ATOM 0 H1' G A 2 -3.150 -7.203 3.142 1.00 0.00 H new ATOM 0 H8 G A 2 0.238 -5.973 2.196 1.00 0.00 H new ATOM 0 H1 G A 2 -3.285 -1.592 5.180 1.00 0.00 H new ATOM 0 H21 G A 2 -5.885 -3.829 4.661 1.00 0.00 H new ATOM 0 H22 G A 2 -5.358 -2.269 5.301 1.00 0.00 H new ATOM 67 P A A 3 -3.939 -7.173 -2.067 1.00 0.00 P ATOM 68 OP1 A A 3 -4.389 -8.053 -3.170 1.00 0.00 O ATOM 69 OP2 A A 3 -3.072 -6.008 -2.357 1.00 0.00 O ATOM 70 O5' A A 3 -5.241 -6.641 -1.267 1.00 0.00 O ATOM 71 C5' A A 3 -6.542 -7.224 -1.475 1.00 0.00 C ATOM 72 C4' A A 3 -7.659 -6.235 -1.130 1.00 0.00 C ATOM 73 O4' A A 3 -7.597 -5.853 0.267 1.00 0.00 O ATOM 74 C3' A A 3 -7.500 -4.959 -1.933 1.00 0.00 C ATOM 75 O3' A A 3 -8.236 -4.992 -3.163 1.00 0.00 O ATOM 76 C2' A A 3 -8.003 -3.893 -1.016 1.00 0.00 C ATOM 77 O2' A A 3 -9.422 -3.733 -1.149 1.00 0.00 O ATOM 78 C1' A A 3 -7.639 -4.404 0.361 1.00 0.00 C ATOM 79 N9 A A 3 -6.308 -3.912 0.721 1.00 0.00 N ATOM 80 C8 A A 3 -5.120 -4.503 0.501 1.00 0.00 C ATOM 81 N7 A A 3 -4.062 -3.864 0.828 1.00 0.00 N ATOM 82 C5 A A 3 -4.598 -2.686 1.340 1.00 0.00 C ATOM 83 C6 A A 3 -4.005 -1.558 1.869 1.00 0.00 C ATOM 84 N6 A A 3 -2.692 -1.425 1.957 1.00 0.00 N ATOM 85 N1 A A 3 -4.809 -0.566 2.290 1.00 0.00 N ATOM 86 C2 A A 3 -6.138 -0.690 2.189 1.00 0.00 C ATOM 87 N3 A A 3 -6.813 -1.730 1.693 1.00 0.00 N ATOM 88 C4 A A 3 -5.971 -2.701 1.284 1.00 0.00 C ATOM 0 H5' A A 3 -6.644 -8.119 -0.861 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.640 -7.538 -2.514 1.00 0.00 H new ATOM 0 H4' A A 3 -8.604 -6.730 -1.355 1.00 0.00 H new ATOM 0 H3' A A 3 -6.468 -4.796 -2.242 1.00 0.00 H new ATOM 0 H2' A A 3 -7.574 -2.914 -1.228 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.737 -4.239 -1.927 1.00 0.00 H new ATOM 0 H1' A A 3 -8.357 -4.071 1.111 1.00 0.00 H new ATOM 0 H8 A A 3 -5.062 -5.488 0.061 1.00 0.00 H new ATOM 0 H61 A A 3 -2.291 -0.576 2.354 1.00 0.00 H new ATOM 0 H62 A A 3 -2.081 -2.172 1.627 1.00 0.00 H new ATOM 0 H2 A A 3 -6.728 0.141 2.547 1.00 0.00 H new ATOM 100 P C A 4 -7.654 -4.233 -4.463 1.00 0.00 P ATOM 101 OP1 C A 4 -8.696 -4.253 -5.515 1.00 0.00 O ATOM 102 OP2 C A 4 -6.304 -4.770 -4.749 1.00 0.00 O ATOM 103 O5' C A 4 -7.489 -2.712 -3.935 1.00 0.00 O ATOM 104 C5' C A 4 -8.644 -1.913 -3.630 1.00 0.00 C ATOM 105 C4' C A 4 -8.281 -0.605 -2.916 1.00 0.00 C ATOM 106 O4' C A 4 -7.566 -0.838 -1.684 1.00 0.00 O ATOM 107 C3' C A 4 -7.378 0.267 -3.760 1.00 0.00 C ATOM 108 O3' C A 4 -8.121 1.098 -4.669 1.00 0.00 O ATOM 109 C2' C A 4 -6.628 1.083 -2.757 1.00 0.00 C ATOM 110 O2' C A 4 -7.309 2.311 -2.492 1.00 0.00 O ATOM 111 C1' C A 4 -6.582 0.220 -1.514 1.00 0.00 C ATOM 112 N1 C A 4 -5.225 -0.329 -1.316 1.00 0.00 N ATOM 113 C2 C A 4 -4.255 0.518 -0.789 1.00 0.00 C ATOM 114 O2 C A 4 -4.529 1.681 -0.510 1.00 0.00 O ATOM 115 N3 C A 4 -3.003 0.028 -0.600 1.00 0.00 N ATOM 116 C4 C A 4 -2.711 -1.238 -0.913 1.00 0.00 C ATOM 117 N4 C A 4 -1.474 -1.682 -0.712 1.00 0.00 N ATOM 118 C5 C A 4 -3.705 -2.114 -1.457 1.00 0.00 C ATOM 119 C6 C A 4 -4.941 -1.619 -1.642 1.00 0.00 C ATOM 0 H5' C A 4 -9.325 -2.489 -3.003 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.177 -1.684 -4.553 1.00 0.00 H new ATOM 0 H4' C A 4 -9.237 -0.116 -2.726 1.00 0.00 H new ATOM 0 H3' C A 4 -6.721 -0.321 -4.401 1.00 0.00 H new ATOM 0 H2' C A 4 -5.632 1.353 -3.109 1.00 0.00 H new ATOM 0 HO2' C A 4 -8.127 2.354 -3.030 1.00 0.00 H new ATOM 0 H1' C A 4 -6.816 0.805 -0.625 1.00 0.00 H new ATOM 0 H41 C A 4 -1.234 -2.645 -0.945 1.00 0.00 H new ATOM 0 H42 C A 4 -0.765 -1.059 -0.325 1.00 0.00 H new ATOM 0 H5 C A 4 -3.470 -3.137 -1.710 1.00 0.00 H new ATOM 0 H6 C A 4 -5.715 -2.250 -2.053 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.758 3.543 -3.537 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.515 3.558 -2.926 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.854 2.354 -2.875 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.307 1.150 -3.365 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.607 1.216 -3.986 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.285 2.389 -4.053 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.027 4.578 -2.447 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.627 0.138 -3.250 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.499 4.820 -3.624 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.359 5.433 -5.010 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.002 6.824 -4.920 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.702 5.253 -5.655 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.670 5.123 -4.497 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.041 6.360 -6.504 1.00 0.00 O HETATM 145 O4' U5P A 5 -4.913 4.616 -3.377 1.00 0.00 O HETATM 146 C5' U5P A 5 -6.841 4.202 -4.853 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.397 2.878 -5.197 1.00 0.00 O HETATM 148 P U5P A 5 -7.387 1.818 -5.917 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.407 2.578 -6.675 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.556 0.809 -6.612 1.00 0.00 O HETATM 0 HO3' U5P A 5 -5.921 6.206 -6.907 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.529 4.146 -4.009 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.396 4.627 -5.689 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.064 2.352 -2.430 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.267 2.414 -4.526 1.00 0.00 H new HETATM 0 H5 U5P A 5 -3.050 0.313 -4.406 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.114 6.088 -4.251 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.723 4.381 -6.308 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.569 4.958 -5.591 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.076 5.485 -2.871 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.977 4.078 -5.000 1.00 0.00 N HETATM 162 C2 U5P A 6 2.684 2.973 -4.563 1.00 0.00 C HETATM 163 N3 U5P A 6 2.141 1.750 -4.876 1.00 0.00 N HETATM 164 C4 U5P A 6 0.973 1.529 -5.576 1.00 0.00 C HETATM 165 C5 U5P A 6 0.298 2.738 -5.995 1.00 0.00 C HETATM 166 C6 U5P A 6 0.813 3.954 -5.699 1.00 0.00 C HETATM 167 O2 U5P A 6 3.733 3.067 -3.933 1.00 0.00 O HETATM 168 O4 U5P A 6 0.589 0.387 -5.799 1.00 0.00 O HETATM 169 C1' U5P A 6 2.513 5.410 -4.694 1.00 0.00 C HETATM 170 C2' U5P A 6 2.654 6.222 -5.966 1.00 0.00 C HETATM 171 O2' U5P A 6 3.986 6.130 -6.496 1.00 0.00 O HETATM 172 C3' U5P A 6 2.308 7.626 -5.574 1.00 0.00 C HETATM 173 C4' U5P A 6 1.512 7.503 -4.279 1.00 0.00 C HETATM 174 O3' U5P A 6 3.486 8.424 -5.384 1.00 0.00 O HETATM 175 O4' U5P A 6 1.601 6.128 -3.838 1.00 0.00 O HETATM 176 C5' U5P A 6 0.053 7.919 -4.489 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.579 7.147 -5.522 1.00 0.00 O HETATM 178 P U5P A 6 -2.064 7.513 -6.037 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.238 8.981 -5.948 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.282 6.822 -7.329 1.00 0.00 O HETATM 0 HO3' U5P A 6 4.272 7.924 -5.688 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.497 7.797 -3.556 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 0.011 8.977 -4.748 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.651 0.925 -4.560 1.00 0.00 H new HETATM 0 H6 U5P A 6 0.287 4.851 -6.026 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.635 2.669 -6.555 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.923 8.169 -3.520 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.734 8.126 -6.354 1.00 0.00 H new HETATM 0 H2' U5P A 6 2.001 5.857 -6.758 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.480 5.275 -4.209 1.00 0.00 H new HETATM 191 P C5P A 7 4.501 4.775 -7.203 1.00 0.00 P HETATM 192 O1P C5P A 7 5.474 5.149 -8.252 1.00 0.00 O HETATM 193 O2P C5P A 7 3.322 3.949 -7.553 1.00 0.00 O HETATM 194 O5' C5P A 7 5.304 4.036 -6.014 1.00 0.00 O HETATM 195 C5' C5P A 7 5.775 2.687 -6.176 1.00 0.00 C HETATM 196 C4' C5P A 7 7.198 2.519 -5.640 1.00 0.00 C HETATM 197 O4' C5P A 7 8.048 3.540 -6.193 1.00 0.00 O HETATM 198 C3' C5P A 7 7.263 2.638 -4.117 1.00 0.00 C HETATM 199 O3' C5P A 7 7.950 1.523 -3.540 1.00 0.00 O HETATM 200 C2' C5P A 7 7.993 3.911 -3.835 1.00 0.00 C HETATM 201 O2' C5P A 7 8.930 3.729 -2.752 1.00 0.00 O HETATM 202 C1' C5P A 7 8.722 4.234 -5.125 1.00 0.00 C HETATM 203 N1 C5P A 7 8.682 5.684 -5.378 1.00 0.00 N HETATM 204 C2 C5P A 7 9.885 6.352 -5.560 1.00 0.00 C HETATM 205 N3 C5P A 7 9.846 7.691 -5.795 1.00 0.00 N HETATM 206 C4 C5P A 7 8.682 8.346 -5.850 1.00 0.00 C HETATM 207 C5 C5P A 7 7.437 7.662 -5.663 1.00 0.00 C HETATM 208 C6 C5P A 7 7.482 6.338 -5.431 1.00 0.00 C HETATM 209 O2 C5P A 7 10.950 5.741 -5.505 1.00 0.00 O HETATM 210 N4 C5P A 7 8.689 9.655 -6.085 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.656 1.847 -2.942 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.810 10.170 -6.130 1.00 0.00 H new HETATM 0 HN41 C5P A 7 9.574 10.144 -6.220 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 5.106 2.002 -5.655 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.749 2.416 -7.231 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.320 4.713 -3.532 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.556 5.782 -5.284 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.488 8.196 -5.707 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.528 1.522 -5.931 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.264 2.643 -3.681 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.765 3.924 -5.058 1.00 0.00 H new HETATM 222 P 5GP A 8 9.673 4.983 -2.051 1.00 0.00 P HETATM 223 O2P 5GP A 8 11.123 4.683 -1.978 1.00 0.00 O HETATM 224 O3P 5GP A 8 9.207 6.230 -2.698 1.00 0.00 O HETATM 225 O5' 5GP A 8 9.071 4.945 -0.554 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.210 6.083 0.316 1.00 0.00 C HETATM 227 C4' 5GP A 8 7.981 6.332 1.179 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.783 6.471 0.388 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.722 5.193 2.143 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.472 5.348 3.357 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.244 5.258 2.389 1.00 0.00 C HETATM 232 O2' 5GP A 8 5.962 6.035 3.566 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.669 5.926 1.140 1.00 0.00 C HETATM 234 N9 5GP A 8 4.905 4.947 0.341 1.00 0.00 N HETATM 235 C8 5GP A 8 5.205 3.662 0.029 1.00 0.00 C HETATM 236 N7 5GP A 8 4.326 2.982 -0.621 1.00 0.00 N HETATM 237 C5 5GP A 8 3.300 3.921 -0.777 1.00 0.00 C HETATM 238 C6 5GP A 8 2.037 3.796 -1.412 1.00 0.00 C HETATM 239 O6 5GP A 8 1.546 2.812 -1.954 1.00 0.00 O HETATM 240 N1 5GP A 8 1.317 4.973 -1.344 1.00 0.00 N HETATM 241 C2 5GP A 8 1.746 6.132 -0.744 1.00 0.00 C HETATM 242 N2 5GP A 8 0.916 7.161 -0.793 1.00 0.00 N HETATM 243 N3 5GP A 8 2.926 6.265 -0.142 1.00 0.00 N HETATM 244 C4 5GP A 8 3.652 5.128 -0.193 1.00 0.00 C HETATM 0 HO3' 5GP A 8 7.898 5.740 4.048 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.179 8.049 -0.365 1.00 0.00 H new HETATM 0 HN21 5GP A 8 0.013 7.066 -1.259 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.075 5.935 0.962 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.409 6.970 -0.286 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.392 4.982 -1.774 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.158 3.220 0.319 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.200 7.254 1.718 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.034 4.228 1.744 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.808 4.274 2.561 1.00 0.00 H new HETATM 0 H1' 5GP A 8 4.977 6.725 1.408 1.00 0.00 H new ATOM 256 P G A 9 5.288 5.364 4.869 1.00 0.00 P ATOM 257 OP1 G A 9 5.843 6.027 6.073 1.00 0.00 O ATOM 258 OP2 G A 9 5.362 3.890 4.736 1.00 0.00 O ATOM 259 O5' G A 9 3.747 5.805 4.712 1.00 0.00 O ATOM 260 C5' G A 9 3.390 7.199 4.722 1.00 0.00 C ATOM 261 C4' G A 9 2.067 7.478 4.034 1.00 0.00 C ATOM 262 O4' G A 9 2.083 7.085 2.640 1.00 0.00 O ATOM 263 C3' G A 9 0.944 6.699 4.672 1.00 0.00 C ATOM 264 O3' G A 9 0.380 7.370 5.809 1.00 0.00 O ATOM 265 C2' G A 9 -0.045 6.553 3.565 1.00 0.00 C ATOM 266 O2' G A 9 -0.929 7.678 3.514 1.00 0.00 O ATOM 267 C1' G A 9 0.803 6.472 2.318 1.00 0.00 C ATOM 268 N9 G A 9 0.962 5.060 1.917 1.00 0.00 N ATOM 269 C8 G A 9 2.046 4.254 1.996 1.00 0.00 C ATOM 270 N7 G A 9 1.911 3.030 1.600 1.00 0.00 N ATOM 271 C5 G A 9 0.565 3.002 1.204 1.00 0.00 C ATOM 272 C6 G A 9 -0.219 1.937 0.669 1.00 0.00 C ATOM 273 O6 G A 9 0.115 0.781 0.422 1.00 0.00 O ATOM 274 N1 G A 9 -1.519 2.343 0.415 1.00 0.00 N ATOM 275 C2 G A 9 -2.014 3.607 0.640 1.00 0.00 C ATOM 276 N2 G A 9 -3.288 3.803 0.344 1.00 0.00 N ATOM 277 N3 G A 9 -1.294 4.609 1.136 1.00 0.00 N ATOM 278 C4 G A 9 -0.019 4.244 1.396 1.00 0.00 C ATOM 0 H5' G A 9 4.176 7.773 4.232 1.00 0.00 H new ATOM 0 H5'' G A 9 3.337 7.547 5.754 1.00 0.00 H new ATOM 0 H4' G A 9 1.914 8.553 4.129 1.00 0.00 H new ATOM 0 H3' G A 9 1.280 5.743 5.075 1.00 0.00 H new ATOM 0 H2' G A 9 -0.684 5.679 3.690 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.657 8.339 4.185 1.00 0.00 H new ATOM 0 H1' G A 9 0.342 6.993 1.479 1.00 0.00 H new ATOM 0 H8 G A 9 2.989 4.619 2.376 1.00 0.00 H new ATOM 0 H1 G A 9 -2.160 1.649 0.030 1.00 0.00 H new ATOM 0 H21 G A 9 -3.710 4.720 0.490 1.00 0.00 H new ATOM 0 H22 G A 9 -3.848 3.037 -0.030 1.00 0.00 H new ATOM 290 P U A 10 -0.541 6.550 6.852 1.00 0.00 P ATOM 291 OP1 U A 10 -0.837 7.428 8.005 1.00 0.00 O ATOM 292 OP2 U A 10 0.071 5.219 7.075 1.00 0.00 O ATOM 293 O5' U A 10 -1.902 6.332 6.016 1.00 0.00 O ATOM 294 C5' U A 10 -2.869 7.385 5.890 1.00 0.00 C ATOM 295 C4' U A 10 -4.247 6.838 5.533 1.00 0.00 C ATOM 296 O4' U A 10 -4.254 6.226 4.223 1.00 0.00 O ATOM 297 C3' U A 10 -4.666 5.771 6.518 1.00 0.00 C ATOM 298 O3' U A 10 -5.423 6.320 7.605 1.00 0.00 O ATOM 299 C2' U A 10 -5.475 4.810 5.706 1.00 0.00 C ATOM 300 O2' U A 10 -6.866 5.149 5.758 1.00 0.00 O ATOM 301 C1' U A 10 -4.939 4.950 4.296 1.00 0.00 C ATOM 302 N1 U A 10 -4.017 3.838 3.957 1.00 0.00 N ATOM 303 C2 U A 10 -4.573 2.657 3.495 1.00 0.00 C ATOM 304 O2 U A 10 -5.784 2.496 3.391 1.00 0.00 O ATOM 305 N3 U A 10 -3.687 1.658 3.166 1.00 0.00 N ATOM 306 C4 U A 10 -2.315 1.720 3.258 1.00 0.00 C ATOM 307 O4 U A 10 -1.624 0.766 2.935 1.00 0.00 O ATOM 308 C5 U A 10 -1.813 2.974 3.751 1.00 0.00 C ATOM 309 C6 U A 10 -2.659 3.983 4.080 1.00 0.00 C ATOM 0 H5' U A 10 -2.545 8.088 5.122 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.928 7.940 6.826 1.00 0.00 H new ATOM 0 H4' U A 10 -4.931 7.686 5.555 1.00 0.00 H new ATOM 0 H3' U A 10 -3.810 5.288 6.990 1.00 0.00 H new ATOM 0 H2' U A 10 -5.395 3.788 6.076 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.013 5.822 6.456 1.00 0.00 H new ATOM 0 H1' U A 10 -5.756 4.908 3.576 1.00 0.00 H new ATOM 0 H3 U A 10 -4.086 0.785 2.820 1.00 0.00 H new ATOM 0 H5 U A 10 -0.748 3.115 3.861 1.00 0.00 H new ATOM 0 H6 U A 10 -2.256 4.916 4.445 1.00 0.00 H new ATOM 320 P C A 11 -5.109 5.859 9.117 1.00 0.00 P ATOM 321 OP1 C A 11 -5.925 6.685 10.035 1.00 0.00 O ATOM 322 OP2 C A 11 -3.638 5.796 9.285 1.00 0.00 O ATOM 323 O5' C A 11 -5.679 4.348 9.142 1.00 0.00 O ATOM 324 C5' C A 11 -7.083 4.087 8.981 1.00 0.00 C ATOM 325 C4' C A 11 -7.342 2.705 8.371 1.00 0.00 C ATOM 326 O4' C A 11 -6.696 2.567 7.087 1.00 0.00 O ATOM 327 C3' C A 11 -6.797 1.598 9.249 1.00 0.00 C ATOM 328 O3' C A 11 -7.767 1.129 10.195 1.00 0.00 O ATOM 329 C2' C A 11 -6.403 0.520 8.284 1.00 0.00 C ATOM 330 O2' C A 11 -7.448 -0.446 8.114 1.00 0.00 O ATOM 331 C1' C A 11 -6.124 1.238 6.984 1.00 0.00 C ATOM 332 N1 C A 11 -4.670 1.290 6.758 1.00 0.00 N ATOM 333 C2 C A 11 -4.097 0.229 6.087 1.00 0.00 C ATOM 334 O2 C A 11 -4.785 -0.718 5.723 1.00 0.00 O ATOM 335 N3 C A 11 -2.763 0.249 5.856 1.00 0.00 N ATOM 336 C4 C A 11 -2.014 1.271 6.266 1.00 0.00 C ATOM 337 N4 C A 11 -0.709 1.254 6.009 1.00 0.00 N ATOM 338 C5 C A 11 -2.598 2.377 6.966 1.00 0.00 C ATOM 339 C6 C A 11 -3.927 2.343 7.191 1.00 0.00 C ATOM 0 H5' C A 11 -7.524 4.853 8.344 1.00 0.00 H new ATOM 0 H5'' C A 11 -7.578 4.155 9.950 1.00 0.00 H new ATOM 0 H4' C A 11 -8.424 2.622 8.273 1.00 0.00 H new ATOM 0 H3' C A 11 -5.960 1.939 9.859 1.00 0.00 H new ATOM 0 H2' C A 11 -5.538 -0.037 8.643 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.066 -1.348 8.132 1.00 0.00 H new ATOM 0 H1' C A 11 -6.570 0.718 6.136 1.00 0.00 H new ATOM 0 H41 C A 11 -0.119 2.028 6.315 1.00 0.00 H new ATOM 0 H42 C A 11 -0.299 0.467 5.506 1.00 0.00 H new ATOM 0 H5 C A 11 -1.995 3.208 7.301 1.00 0.00 H new ATOM 0 H6 C A 11 -4.404 3.156 7.718 1.00 0.00 H new ATOM 351 P C A 12 -7.311 0.205 11.437 1.00 0.00 P ATOM 352 OP1 C A 12 -8.480 0.018 12.325 1.00 0.00 O ATOM 353 OP2 C A 12 -6.052 0.754 11.989 1.00 0.00 O ATOM 354 O5' C A 12 -6.980 -1.213 10.740 1.00 0.00 O ATOM 355 C5' C A 12 -8.035 -2.062 10.269 1.00 0.00 C ATOM 356 C4' C A 12 -7.489 -3.320 9.597 1.00 0.00 C ATOM 357 O4' C A 12 -6.634 -2.997 8.480 1.00 0.00 O ATOM 358 C3' C A 12 -6.655 -4.138 10.560 1.00 0.00 C ATOM 359 O3' C A 12 -7.453 -5.095 11.277 1.00 0.00 O ATOM 360 C2' C A 12 -5.630 -4.809 9.697 1.00 0.00 C ATOM 361 O2' C A 12 -6.058 -6.130 9.337 1.00 0.00 O ATOM 362 C1' C A 12 -5.515 -3.923 8.460 1.00 0.00 C ATOM 363 N1 C A 12 -4.226 -3.190 8.439 1.00 0.00 N ATOM 364 C2 C A 12 -3.160 -3.772 7.767 1.00 0.00 C ATOM 365 O2 C A 12 -3.294 -4.861 7.221 1.00 0.00 O ATOM 366 N3 C A 12 -1.975 -3.104 7.731 1.00 0.00 N ATOM 367 C4 C A 12 -1.836 -1.917 8.328 1.00 0.00 C ATOM 368 N4 C A 12 -0.660 -1.299 8.270 1.00 0.00 N ATOM 369 C5 C A 12 -2.930 -1.312 9.024 1.00 0.00 C ATOM 370 C6 C A 12 -4.100 -1.981 9.054 1.00 0.00 C ATOM 0 H5' C A 12 -8.657 -1.512 9.562 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.676 -2.344 11.104 1.00 0.00 H new ATOM 0 H4' C A 12 -8.360 -3.883 9.262 1.00 0.00 H new ATOM 0 H3' C A 12 -6.199 -3.518 11.332 1.00 0.00 H new ATOM 0 H2' C A 12 -4.674 -4.922 10.209 1.00 0.00 H new ATOM 0 HO2' C A 12 -6.860 -6.365 9.849 1.00 0.00 H new ATOM 0 HO3' C A 12 -6.881 -5.606 11.888 1.00 0.00 H new ATOM 0 H1' C A 12 -5.541 -4.536 7.559 1.00 0.00 H new ATOM 0 H41 C A 12 -0.538 -0.392 8.721 1.00 0.00 H new ATOM 0 H42 C A 12 0.120 -1.732 7.775 1.00 0.00 H new ATOM 0 H5 C A 12 -2.822 -0.353 9.508 1.00 0.00 H new ATOM 0 H6 C A 12 -4.946 -1.554 9.571 1.00 0.00 H new TER 383 C A 12