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 2:sc= -0.111 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -37:sc= 0.224 USER MOD Single : A 3 A O2' : rot -11:sc= -1.42! USER MOD Single : A 4 C O2' : rot 9:sc= -0.472 USER MOD Single : A 5 U5P O3' : rot 55:sc= 1.01 USER MOD Single : A 6 U5P O3' : rot 11:sc= 0.376 USER MOD Single : A 7 C5P O3' : rot 125:sc= 0.451 USER MOD Single : A 8 5GP O3' : rot 87:sc= 0.317 USER MOD Single : A 9 G O2' : rot -1:sc= -0.0695 USER MOD Single : A 10 U O2' : rot -12:sc= 0.256 USER MOD Single : A 11 C O2' : rot -138:sc= -2.06! USER MOD Single : A 12 C O2' : rot -14:sc= 0.23 USER MOD Single : A 12 C O3' : rot 180:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.006 -5.892 1.897 1.00 0.00 O ATOM 2 C5' G A 1 5.912 -7.258 1.453 1.00 0.00 C ATOM 3 C4' G A 1 4.681 -7.982 1.988 1.00 0.00 C ATOM 4 O4' G A 1 4.621 -7.932 3.437 1.00 0.00 O ATOM 5 C3' G A 1 3.391 -7.355 1.487 1.00 0.00 C ATOM 6 O3' G A 1 2.942 -7.926 0.241 1.00 0.00 O ATOM 7 C2' G A 1 2.417 -7.625 2.586 1.00 0.00 C ATOM 8 O2' G A 1 1.738 -8.868 2.374 1.00 0.00 O ATOM 9 C1' G A 1 3.248 -7.676 3.844 1.00 0.00 C ATOM 10 N9 G A 1 3.124 -6.400 4.575 1.00 0.00 N ATOM 11 C8 G A 1 4.054 -5.453 4.830 1.00 0.00 C ATOM 12 N7 G A 1 3.677 -4.403 5.484 1.00 0.00 N ATOM 13 C5 G A 1 2.317 -4.674 5.699 1.00 0.00 C ATOM 14 C6 G A 1 1.319 -3.907 6.367 1.00 0.00 C ATOM 15 O6 G A 1 1.432 -2.815 6.918 1.00 0.00 O ATOM 16 N1 G A 1 0.091 -4.547 6.351 1.00 0.00 N ATOM 17 C2 G A 1 -0.157 -5.769 5.771 1.00 0.00 C ATOM 18 N2 G A 1 -1.399 -6.217 5.854 1.00 0.00 N ATOM 19 N3 G A 1 0.766 -6.496 5.145 1.00 0.00 N ATOM 20 C4 G A 1 1.975 -5.896 5.144 1.00 0.00 C ATOM 0 H5' G A 1 6.806 -7.797 1.766 1.00 0.00 H new ATOM 0 H5'' G A 1 5.892 -7.278 0.363 1.00 0.00 H new ATOM 0 H4' G A 1 4.774 -9.009 1.634 1.00 0.00 H new ATOM 0 H3' G A 1 3.514 -6.294 1.270 1.00 0.00 H new ATOM 0 H2' G A 1 1.643 -6.860 2.639 1.00 0.00 H new ATOM 0 HO2' G A 1 2.086 -9.297 1.564 1.00 0.00 H new ATOM 0 HO5' G A 1 6.814 -5.482 1.524 1.00 0.00 H new ATOM 0 H1' G A 1 2.911 -8.464 4.518 1.00 0.00 H new ATOM 0 H8 G A 1 5.076 -5.569 4.499 1.00 0.00 H new ATOM 0 H1 G A 1 -0.691 -4.075 6.805 1.00 0.00 H new ATOM 0 H21 G A 1 -1.645 -7.117 5.443 1.00 0.00 H new ATOM 0 H22 G A 1 -2.111 -5.662 6.329 1.00 0.00 H new ATOM 33 P G A 2 1.826 -7.168 -0.664 1.00 0.00 P ATOM 34 OP1 G A 2 1.665 -7.926 -1.925 1.00 0.00 O ATOM 35 OP2 G A 2 2.175 -5.729 -0.710 1.00 0.00 O ATOM 36 O5' G A 2 0.468 -7.332 0.205 1.00 0.00 O ATOM 37 C5' G A 2 -0.341 -8.530 0.124 1.00 0.00 C ATOM 38 C4' G A 2 -1.724 -8.361 0.750 1.00 0.00 C ATOM 39 O4' G A 2 -1.623 -7.914 2.119 1.00 0.00 O ATOM 40 C3' G A 2 -2.538 -7.319 0.008 1.00 0.00 C ATOM 41 O3' G A 2 -3.371 -7.930 -0.999 1.00 0.00 O ATOM 42 C2' G A 2 -3.356 -6.643 1.065 1.00 0.00 C ATOM 43 O2' G A 2 -4.681 -7.193 1.132 1.00 0.00 O ATOM 44 C1' G A 2 -2.604 -6.874 2.359 1.00 0.00 C ATOM 45 N9 G A 2 -1.948 -5.636 2.821 1.00 0.00 N ATOM 46 C8 G A 2 -0.651 -5.285 2.750 1.00 0.00 C ATOM 47 N7 G A 2 -0.302 -4.148 3.247 1.00 0.00 N ATOM 48 C5 G A 2 -1.525 -3.660 3.713 1.00 0.00 C ATOM 49 C6 G A 2 -1.832 -2.439 4.371 1.00 0.00 C ATOM 50 O6 G A 2 -1.075 -1.523 4.689 1.00 0.00 O ATOM 51 N1 G A 2 -3.178 -2.351 4.660 1.00 0.00 N ATOM 52 C2 G A 2 -4.122 -3.307 4.363 1.00 0.00 C ATOM 53 N2 G A 2 -5.365 -3.032 4.712 1.00 0.00 N ATOM 54 N3 G A 2 -3.851 -4.454 3.751 1.00 0.00 N ATOM 55 C4 G A 2 -2.542 -4.570 3.453 1.00 0.00 C ATOM 0 H5' G A 2 0.180 -9.348 0.623 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.454 -8.815 -0.922 1.00 0.00 H new ATOM 0 H4' G A 2 -2.207 -9.337 0.696 1.00 0.00 H new ATOM 0 H3' G A 2 -1.907 -6.609 -0.527 1.00 0.00 H new ATOM 0 H2' G A 2 -3.485 -5.581 0.855 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.988 -7.417 0.229 1.00 0.00 H new ATOM 0 H1' G A 2 -3.297 -7.178 3.143 1.00 0.00 H new ATOM 0 H8 G A 2 0.077 -5.937 2.290 1.00 0.00 H new ATOM 0 H1 G A 2 -3.500 -1.507 5.133 1.00 0.00 H new ATOM 0 H21 G A 2 -6.109 -3.702 4.518 1.00 0.00 H new ATOM 0 H22 G A 2 -5.581 -2.149 5.175 1.00 0.00 H new ATOM 67 P A A 3 -4.191 -7.036 -2.065 1.00 0.00 P ATOM 68 OP1 A A 3 -4.645 -7.927 -3.158 1.00 0.00 O ATOM 69 OP2 A A 3 -3.388 -5.832 -2.376 1.00 0.00 O ATOM 70 O5' A A 3 -5.485 -6.568 -1.210 1.00 0.00 O ATOM 71 C5' A A 3 -6.801 -7.093 -1.485 1.00 0.00 C ATOM 72 C4' A A 3 -7.891 -6.058 -1.184 1.00 0.00 C ATOM 73 O4' A A 3 -7.842 -5.652 0.206 1.00 0.00 O ATOM 74 C3' A A 3 -7.673 -4.802 -2.010 1.00 0.00 C ATOM 75 O3' A A 3 -8.409 -4.823 -3.240 1.00 0.00 O ATOM 76 C2' A A 3 -8.137 -3.698 -1.116 1.00 0.00 C ATOM 77 O2' A A 3 -9.544 -3.469 -1.277 1.00 0.00 O ATOM 78 C1' A A 3 -7.825 -4.202 0.275 1.00 0.00 C ATOM 79 N9 A A 3 -6.483 -3.761 0.654 1.00 0.00 N ATOM 80 C8 A A 3 -5.317 -4.401 0.464 1.00 0.00 C ATOM 81 N7 A A 3 -4.239 -3.799 0.800 1.00 0.00 N ATOM 82 C5 A A 3 -4.737 -2.593 1.286 1.00 0.00 C ATOM 83 C6 A A 3 -4.113 -1.478 1.810 1.00 0.00 C ATOM 84 N6 A A 3 -2.797 -1.384 1.920 1.00 0.00 N ATOM 85 N1 A A 3 -4.889 -0.456 2.201 1.00 0.00 N ATOM 86 C2 A A 3 -6.219 -0.532 2.078 1.00 0.00 C ATOM 87 N3 A A 3 -6.922 -1.552 1.585 1.00 0.00 N ATOM 88 C4 A A 3 -6.109 -2.558 1.205 1.00 0.00 C ATOM 0 H5' A A 3 -6.970 -7.987 -0.885 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.863 -7.395 -2.531 1.00 0.00 H new ATOM 0 H4' A A 3 -8.848 -6.523 -1.420 1.00 0.00 H new ATOM 0 H3' A A 3 -6.633 -4.691 -2.315 1.00 0.00 H new ATOM 0 H2' A A 3 -7.653 -2.746 -1.335 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.868 -3.962 -2.059 1.00 0.00 H new ATOM 0 H1' A A 3 -8.544 -3.828 1.003 1.00 0.00 H new ATOM 0 H8 A A 3 -5.290 -5.394 0.040 1.00 0.00 H new ATOM 0 H61 A A 3 -2.377 -0.542 2.313 1.00 0.00 H new ATOM 0 H62 A A 3 -2.203 -2.154 1.612 1.00 0.00 H new ATOM 0 H2 A A 3 -6.784 0.325 2.414 1.00 0.00 H new ATOM 100 P C A 4 -7.841 -4.032 -4.527 1.00 0.00 P ATOM 101 OP1 C A 4 -8.911 -3.985 -5.550 1.00 0.00 O ATOM 102 OP2 C A 4 -6.515 -4.595 -4.870 1.00 0.00 O ATOM 103 O5' C A 4 -7.617 -2.535 -3.953 1.00 0.00 O ATOM 104 C5' C A 4 -8.733 -1.681 -3.649 1.00 0.00 C ATOM 105 C4' C A 4 -8.291 -0.356 -3.017 1.00 0.00 C ATOM 106 O4' C A 4 -7.568 -0.564 -1.786 1.00 0.00 O ATOM 107 C3' C A 4 -7.358 0.410 -3.929 1.00 0.00 C ATOM 108 O3' C A 4 -8.081 1.262 -4.837 1.00 0.00 O ATOM 109 C2' C A 4 -6.487 1.196 -2.998 1.00 0.00 C ATOM 110 O2' C A 4 -6.968 2.532 -2.827 1.00 0.00 O ATOM 111 C1' C A 4 -6.523 0.439 -1.687 1.00 0.00 C ATOM 112 N1 C A 4 -5.208 -0.171 -1.415 1.00 0.00 N ATOM 113 C2 C A 4 -4.225 0.643 -0.868 1.00 0.00 C ATOM 114 O2 C A 4 -4.461 1.822 -0.623 1.00 0.00 O ATOM 115 N3 C A 4 -3.003 0.105 -0.621 1.00 0.00 N ATOM 116 C4 C A 4 -2.753 -1.179 -0.898 1.00 0.00 C ATOM 117 N4 C A 4 -1.544 -1.670 -0.645 1.00 0.00 N ATOM 118 C5 C A 4 -3.764 -2.024 -1.462 1.00 0.00 C ATOM 119 C6 C A 4 -4.972 -1.480 -1.703 1.00 0.00 C ATOM 0 H5' C A 4 -9.410 -2.198 -2.969 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.292 -1.478 -4.562 1.00 0.00 H new ATOM 0 H4' C A 4 -9.211 0.201 -2.838 1.00 0.00 H new ATOM 0 H3' C A 4 -6.776 -0.251 -4.572 1.00 0.00 H new ATOM 0 H2' C A 4 -5.474 1.293 -3.389 1.00 0.00 H new ATOM 0 HO2' C A 4 -7.848 2.619 -3.249 1.00 0.00 H new ATOM 0 H1' C A 4 -6.740 1.110 -0.856 1.00 0.00 H new ATOM 0 H41 C A 4 -1.337 -2.647 -0.851 1.00 0.00 H new ATOM 0 H42 C A 4 -0.823 -1.069 -0.245 1.00 0.00 H new ATOM 0 H5 C A 4 -3.564 -3.061 -1.686 1.00 0.00 H new ATOM 0 H6 C A 4 -5.759 -2.086 -2.128 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.581 3.381 -3.581 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.386 3.348 -2.886 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.754 2.127 -2.824 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.196 0.949 -3.382 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.448 1.064 -4.090 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.094 2.254 -4.168 1.00 0.00 C HETATM 137 O2 U5P A 5 -0.912 4.344 -2.346 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.544 -0.081 -3.253 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.281 4.682 -3.682 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.031 5.322 -5.038 1.00 0.00 C HETATM 141 O2' U5P A 5 -2.629 6.696 -4.879 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.337 5.214 -5.767 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.377 5.123 -4.670 1.00 0.00 C HETATM 144 O3' U5P A 5 -4.563 6.343 -6.626 1.00 0.00 O HETATM 145 O4' U5P A 5 -4.718 4.518 -3.535 1.00 0.00 O HETATM 146 C5' U5P A 5 -6.601 4.317 -5.116 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.266 2.949 -5.404 1.00 0.00 O HETATM 148 P U5P A 5 -7.339 1.952 -6.098 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.334 2.773 -6.825 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.587 0.902 -6.823 1.00 0.00 O HETATM 0 HO3' U5P A 5 -3.807 6.443 -7.241 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.360 4.348 -4.335 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.036 4.779 -6.002 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.129 2.092 -2.314 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.039 2.315 -4.708 1.00 0.00 H new HETATM 0 H5 U5P A 5 -2.880 0.184 -4.568 1.00 0.00 H new HETATM 0 H4' U5P A 5 -5.761 6.110 -4.413 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.366 4.350 -6.431 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.227 4.832 -5.587 1.00 0.00 H new HETATM 0 H1' U5P A 5 -2.892 5.313 -2.883 1.00 0.00 H new HETATM 161 N1 U5P A 6 2.088 3.705 -5.069 1.00 0.00 N HETATM 162 C2 U5P A 6 2.665 2.551 -4.572 1.00 0.00 C HETATM 163 N3 U5P A 6 2.072 1.370 -4.950 1.00 0.00 N HETATM 164 C4 U5P A 6 0.969 1.237 -5.770 1.00 0.00 C HETATM 165 C5 U5P A 6 0.429 2.489 -6.243 1.00 0.00 C HETATM 166 C6 U5P A 6 0.994 3.664 -5.886 1.00 0.00 C HETATM 167 O2 U5P A 6 3.645 2.566 -3.833 1.00 0.00 O HETATM 168 O4 U5P A 6 0.529 0.128 -6.043 1.00 0.00 O HETATM 169 C1' U5P A 6 2.688 4.996 -4.703 1.00 0.00 C HETATM 170 C2' U5P A 6 2.955 5.826 -5.946 1.00 0.00 C HETATM 171 O2' U5P A 6 4.313 5.665 -6.386 1.00 0.00 O HETATM 172 C3' U5P A 6 2.673 7.239 -5.540 1.00 0.00 C HETATM 173 C4' U5P A 6 1.819 7.140 -4.279 1.00 0.00 C HETATM 174 O3' U5P A 6 3.888 7.955 -5.289 1.00 0.00 O HETATM 175 O4' U5P A 6 1.775 5.751 -3.883 1.00 0.00 O HETATM 176 C5' U5P A 6 0.407 7.689 -4.514 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.250 7.048 -5.620 1.00 0.00 O HETATM 178 P U5P A 6 -1.764 7.448 -6.014 1.00 0.00 P HETATM 179 O1P U5P A 6 -1.923 8.907 -5.827 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.089 6.831 -7.323 1.00 0.00 O HETATM 0 HO3' U5P A 6 4.650 7.426 -5.604 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.189 7.552 -3.611 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 0.463 8.762 -4.699 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.486 0.510 -4.591 1.00 0.00 H new HETATM 0 H6 U5P A 6 0.569 4.596 -6.257 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.444 2.487 -6.895 1.00 0.00 H new HETATM 0 H4' U5P A 6 2.259 7.745 -3.486 1.00 0.00 H new HETATM 0 H3' U5P A 6 2.158 7.788 -6.328 1.00 0.00 H new HETATM 0 H2' U5P A 6 2.332 5.520 -6.786 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.616 4.790 -4.169 1.00 0.00 H new HETATM 191 P C5P A 7 4.802 4.279 -7.054 1.00 0.00 P HETATM 192 O1P C5P A 7 5.889 4.590 -8.007 1.00 0.00 O HETATM 193 O2P C5P A 7 3.609 3.530 -7.513 1.00 0.00 O HETATM 194 O5' C5P A 7 5.443 3.495 -5.797 1.00 0.00 O HETATM 195 C5' C5P A 7 5.789 2.103 -5.890 1.00 0.00 C HETATM 196 C4' C5P A 7 7.149 1.821 -5.251 1.00 0.00 C HETATM 197 O4' C5P A 7 8.125 2.731 -5.787 1.00 0.00 O HETATM 198 C3' C5P A 7 7.127 2.006 -3.732 1.00 0.00 C HETATM 199 O3' C5P A 7 7.675 0.863 -3.064 1.00 0.00 O HETATM 200 C2' C5P A 7 7.943 3.230 -3.458 1.00 0.00 C HETATM 201 O2' C5P A 7 8.790 3.037 -2.303 1.00 0.00 O HETATM 202 C1' C5P A 7 8.780 3.425 -4.709 1.00 0.00 C HETATM 203 N1 C5P A 7 8.871 4.859 -5.037 1.00 0.00 N HETATM 204 C2 C5P A 7 10.131 5.425 -5.181 1.00 0.00 C HETATM 205 N3 C5P A 7 10.208 6.749 -5.485 1.00 0.00 N HETATM 206 C4 C5P A 7 9.103 7.486 -5.640 1.00 0.00 C HETATM 207 C5 C5P A 7 7.800 6.908 -5.491 1.00 0.00 C HETATM 208 C6 C5P A 7 7.731 5.600 -5.192 1.00 0.00 C HETATM 209 O2 C5P A 7 11.141 4.740 -5.034 1.00 0.00 O HETATM 210 N4 C5P A 7 9.224 8.776 -5.940 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.398 1.148 -2.468 1.00 0.00 H new HETATM 0 HN42 C5P A 7 8.391 9.352 -6.062 1.00 0.00 H new HETATM 0 HN41 C5P A 7 10.150 9.190 -6.049 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 5.023 1.503 -5.399 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.808 1.801 -6.937 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.319 4.097 -3.239 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.758 5.124 -5.072 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.898 7.508 -5.616 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.398 0.784 -5.474 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.108 2.115 -3.361 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.787 3.039 -4.552 1.00 0.00 H new HETATM 222 P 5GP A 8 9.659 4.251 -1.675 1.00 0.00 P HETATM 223 O2P 5GP A 8 11.071 3.813 -1.586 1.00 0.00 O HETATM 224 O3P 5GP A 8 9.316 5.499 -2.395 1.00 0.00 O HETATM 225 O5' 5GP A 8 9.070 4.369 -0.178 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.279 5.567 0.597 1.00 0.00 C HETATM 227 C4' 5GP A 8 8.053 5.979 1.398 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.890 6.128 0.556 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.696 4.949 2.450 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.366 5.213 3.690 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.209 5.074 2.601 1.00 0.00 C HETATM 232 O2' 5GP A 8 5.885 5.925 3.718 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.723 5.675 1.284 1.00 0.00 C HETATM 234 N9 5GP A 8 4.959 4.676 0.508 1.00 0.00 N HETATM 235 C8 5GP A 8 5.243 3.374 0.251 1.00 0.00 C HETATM 236 N7 5GP A 8 4.371 2.688 -0.404 1.00 0.00 N HETATM 237 C5 5GP A 8 3.369 3.640 -0.625 1.00 0.00 C HETATM 238 C6 5GP A 8 2.123 3.519 -1.295 1.00 0.00 C HETATM 239 O6 5GP A 8 1.627 2.526 -1.821 1.00 0.00 O HETATM 240 N1 5GP A 8 1.426 4.711 -1.289 1.00 0.00 N HETATM 241 C2 5GP A 8 1.858 5.880 -0.715 1.00 0.00 C HETATM 242 N2 5GP A 8 1.046 6.919 -0.820 1.00 0.00 N HETATM 243 N3 5GP A 8 3.021 6.012 -0.082 1.00 0.00 N HETATM 244 C4 5GP A 8 3.726 4.861 -0.071 1.00 0.00 C HETATM 0 HO3' 5GP A 8 7.834 5.841 4.222 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.311 7.816 -0.414 1.00 0.00 H new HETATM 0 HN21 5GP A 8 0.155 6.823 -1.307 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.115 5.411 1.278 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.560 6.381 -0.071 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.516 4.724 -1.749 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.177 2.924 0.587 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.317 6.929 1.863 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.002 3.943 2.162 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.732 4.115 2.801 1.00 0.00 H new HETATM 0 H1' 5GP A 8 5.051 6.513 1.467 1.00 0.00 H new ATOM 256 P G A 9 5.215 5.311 5.053 1.00 0.00 P ATOM 257 OP1 G A 9 5.795 6.002 6.228 1.00 0.00 O ATOM 258 OP2 G A 9 5.277 3.835 4.957 1.00 0.00 O ATOM 259 O5' G A 9 3.676 5.761 4.904 1.00 0.00 O ATOM 260 C5' G A 9 3.327 7.157 4.910 1.00 0.00 C ATOM 261 C4' G A 9 2.042 7.451 4.158 1.00 0.00 C ATOM 262 O4' G A 9 2.120 7.051 2.768 1.00 0.00 O ATOM 263 C3' G A 9 0.875 6.692 4.741 1.00 0.00 C ATOM 264 O3' G A 9 0.273 7.368 5.855 1.00 0.00 O ATOM 265 C2' G A 9 -0.063 6.572 3.588 1.00 0.00 C ATOM 266 O2' G A 9 -0.915 7.720 3.495 1.00 0.00 O ATOM 267 C1' G A 9 0.843 6.469 2.383 1.00 0.00 C ATOM 268 N9 G A 9 0.983 5.051 1.994 1.00 0.00 N ATOM 269 C8 G A 9 2.039 4.216 2.121 1.00 0.00 C ATOM 270 N7 G A 9 1.884 2.991 1.732 1.00 0.00 N ATOM 271 C5 G A 9 0.555 2.998 1.285 1.00 0.00 C ATOM 272 C6 G A 9 -0.241 1.950 0.731 1.00 0.00 C ATOM 273 O6 G A 9 0.066 0.779 0.511 1.00 0.00 O ATOM 274 N1 G A 9 -1.519 2.394 0.425 1.00 0.00 N ATOM 275 C2 G A 9 -1.981 3.676 0.621 1.00 0.00 C ATOM 276 N2 G A 9 -3.236 3.912 0.279 1.00 0.00 N ATOM 277 N3 G A 9 -1.250 4.658 1.134 1.00 0.00 N ATOM 278 C4 G A 9 0.000 4.259 1.444 1.00 0.00 C ATOM 0 H5' G A 9 4.140 7.731 4.466 1.00 0.00 H new ATOM 0 H5'' G A 9 3.224 7.495 5.941 1.00 0.00 H new ATOM 0 H4' G A 9 1.901 8.528 4.244 1.00 0.00 H new ATOM 0 H3' G A 9 1.172 5.728 5.155 1.00 0.00 H new ATOM 0 H2' G A 9 -0.730 5.715 3.682 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.714 8.337 4.229 1.00 0.00 H new ATOM 0 H1' G A 9 0.440 7.000 1.521 1.00 0.00 H new ATOM 0 H8 G A 9 2.977 4.558 2.532 1.00 0.00 H new ATOM 0 H1 G A 9 -2.168 1.717 0.023 1.00 0.00 H new ATOM 0 H21 G A 9 -3.632 4.844 0.402 1.00 0.00 H new ATOM 0 H22 G A 9 -3.809 3.162 -0.108 1.00 0.00 H new ATOM 290 P U A 10 -0.677 6.552 6.876 1.00 0.00 P ATOM 291 OP1 U A 10 -0.980 7.427 8.029 1.00 0.00 O ATOM 292 OP2 U A 10 -0.085 5.213 7.100 1.00 0.00 O ATOM 293 O5' U A 10 -2.026 6.358 6.015 1.00 0.00 O ATOM 294 C5' U A 10 -2.984 7.419 5.890 1.00 0.00 C ATOM 295 C4' U A 10 -4.353 6.889 5.476 1.00 0.00 C ATOM 296 O4' U A 10 -4.312 6.292 4.160 1.00 0.00 O ATOM 297 C3' U A 10 -4.816 5.811 6.432 1.00 0.00 C ATOM 298 O3' U A 10 -5.612 6.349 7.497 1.00 0.00 O ATOM 299 C2' U A 10 -5.593 4.860 5.578 1.00 0.00 C ATOM 300 O2' U A 10 -6.988 5.192 5.581 1.00 0.00 O ATOM 301 C1' U A 10 -5.006 5.019 4.191 1.00 0.00 C ATOM 302 N1 U A 10 -4.082 3.905 3.874 1.00 0.00 N ATOM 303 C2 U A 10 -4.634 2.732 3.391 1.00 0.00 C ATOM 304 O2 U A 10 -5.844 2.584 3.245 1.00 0.00 O ATOM 305 N3 U A 10 -3.749 1.725 3.091 1.00 0.00 N ATOM 306 C4 U A 10 -2.383 1.771 3.228 1.00 0.00 C ATOM 307 O4 U A 10 -1.695 0.807 2.926 1.00 0.00 O ATOM 308 C5 U A 10 -1.882 3.018 3.738 1.00 0.00 C ATOM 309 C6 U A 10 -2.727 4.036 4.041 1.00 0.00 C ATOM 0 H5' U A 10 -2.634 8.142 5.153 1.00 0.00 H new ATOM 0 H5'' U A 10 -3.069 7.948 6.839 1.00 0.00 H new ATOM 0 H4' U A 10 -5.032 7.741 5.484 1.00 0.00 H new ATOM 0 H3' U A 10 -3.981 5.320 6.932 1.00 0.00 H new ATOM 0 H2' U A 10 -5.524 3.834 5.940 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.168 5.844 6.290 1.00 0.00 H new ATOM 0 H1' U A 10 -5.795 4.996 3.439 1.00 0.00 H new ATOM 0 H3 U A 10 -4.146 0.857 2.731 1.00 0.00 H new ATOM 0 H5 U A 10 -0.819 3.147 3.882 1.00 0.00 H new ATOM 0 H6 U A 10 -2.326 4.964 4.420 1.00 0.00 H new ATOM 320 P C A 11 -5.315 5.919 9.023 1.00 0.00 P ATOM 321 OP1 C A 11 -6.135 6.770 9.914 1.00 0.00 O ATOM 322 OP2 C A 11 -3.847 5.850 9.206 1.00 0.00 O ATOM 323 O5' C A 11 -5.895 4.412 9.077 1.00 0.00 O ATOM 324 C5' C A 11 -7.300 4.154 8.914 1.00 0.00 C ATOM 325 C4' C A 11 -7.559 2.786 8.274 1.00 0.00 C ATOM 326 O4' C A 11 -6.875 2.667 7.008 1.00 0.00 O ATOM 327 C3' C A 11 -7.052 1.655 9.148 1.00 0.00 C ATOM 328 O3' C A 11 -8.067 1.160 10.034 1.00 0.00 O ATOM 329 C2' C A 11 -6.613 0.599 8.178 1.00 0.00 C ATOM 330 O2' C A 11 -7.634 -0.381 7.957 1.00 0.00 O ATOM 331 C1' C A 11 -6.303 1.339 6.898 1.00 0.00 C ATOM 332 N1 C A 11 -4.846 1.387 6.704 1.00 0.00 N ATOM 333 C2 C A 11 -4.264 0.317 6.056 1.00 0.00 C ATOM 334 O2 C A 11 -4.952 -0.627 5.678 1.00 0.00 O ATOM 335 N3 C A 11 -2.926 0.324 5.859 1.00 0.00 N ATOM 336 C4 C A 11 -2.180 1.343 6.281 1.00 0.00 C ATOM 337 N4 C A 11 -0.869 1.314 6.058 1.00 0.00 N ATOM 338 C5 C A 11 -2.772 2.458 6.958 1.00 0.00 C ATOM 339 C6 C A 11 -4.106 2.437 7.149 1.00 0.00 C ATOM 0 H5' C A 11 -7.743 4.934 8.295 1.00 0.00 H new ATOM 0 H5'' C A 11 -7.793 4.200 9.885 1.00 0.00 H new ATOM 0 H4' C A 11 -8.639 2.715 8.145 1.00 0.00 H new ATOM 0 H3' C A 11 -6.244 1.982 9.802 1.00 0.00 H new ATOM 0 H2' C A 11 -5.752 0.050 8.560 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.231 -1.274 7.937 1.00 0.00 H new ATOM 0 H1' C A 11 -6.732 0.836 6.031 1.00 0.00 H new ATOM 0 H41 C A 11 -0.281 2.085 6.374 1.00 0.00 H new ATOM 0 H42 C A 11 -0.452 0.521 5.571 1.00 0.00 H new ATOM 0 H5 C A 11 -2.171 3.286 7.303 1.00 0.00 H new ATOM 0 H6 C A 11 -4.589 3.258 7.658 1.00 0.00 H new ATOM 351 P C A 12 -7.669 0.234 11.296 1.00 0.00 P ATOM 352 OP1 C A 12 -8.900 -0.045 12.068 1.00 0.00 O ATOM 353 OP2 C A 12 -6.502 0.847 11.971 1.00 0.00 O ATOM 354 O5' C A 12 -7.182 -1.148 10.606 1.00 0.00 O ATOM 355 C5' C A 12 -8.135 -2.055 10.030 1.00 0.00 C ATOM 356 C4' C A 12 -7.457 -3.246 9.346 1.00 0.00 C ATOM 357 O4' C A 12 -6.544 -2.827 8.310 1.00 0.00 O ATOM 358 C3' C A 12 -6.642 -4.062 10.323 1.00 0.00 C ATOM 359 O3' C A 12 -7.445 -5.050 10.992 1.00 0.00 O ATOM 360 C2' C A 12 -5.562 -4.684 9.480 1.00 0.00 C ATOM 361 O2' C A 12 -5.927 -6.010 9.060 1.00 0.00 O ATOM 362 C1' C A 12 -5.427 -3.759 8.272 1.00 0.00 C ATOM 363 N1 C A 12 -4.128 -3.042 8.289 1.00 0.00 N ATOM 364 C2 C A 12 -3.046 -3.643 7.651 1.00 0.00 C ATOM 365 O2 C A 12 -3.176 -4.733 7.099 1.00 0.00 O ATOM 366 N3 C A 12 -1.850 -2.993 7.657 1.00 0.00 N ATOM 367 C4 C A 12 -1.717 -1.807 8.261 1.00 0.00 C ATOM 368 N4 C A 12 -0.534 -1.201 8.249 1.00 0.00 N ATOM 369 C5 C A 12 -2.825 -1.185 8.917 1.00 0.00 C ATOM 370 C6 C A 12 -4.005 -1.835 8.907 1.00 0.00 C ATOM 0 H5' C A 12 -8.749 -1.522 9.304 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.805 -2.418 10.809 1.00 0.00 H new ATOM 0 H4' C A 12 -8.272 -3.836 8.927 1.00 0.00 H new ATOM 0 H3' C A 12 -6.230 -3.454 11.128 1.00 0.00 H new ATOM 0 H2' C A 12 -4.628 -4.786 10.033 1.00 0.00 H new ATOM 0 HO2' C A 12 -6.694 -6.320 9.586 1.00 0.00 H new ATOM 0 HO3' C A 12 -6.885 -5.560 11.614 1.00 0.00 H new ATOM 0 H1' C A 12 -5.449 -4.337 7.348 1.00 0.00 H new ATOM 0 H41 C A 12 -0.420 -0.296 8.706 1.00 0.00 H new ATOM 0 H42 C A 12 0.260 -1.641 7.783 1.00 0.00 H new ATOM 0 H5 C A 12 -2.719 -0.227 9.404 1.00 0.00 H new ATOM 0 H6 C A 12 -4.862 -1.394 9.394 1.00 0.00 H new TER 383 C A 12