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 -4:sc= -1.39! USER MOD Single : A 1 G O5' : rot 27:sc= 0.482 USER MOD Single : A 2 G O2' : rot -139:sc= 0.192 USER MOD Single : A 3 A O2' : rot -6:sc= -0.551 USER MOD Single : A 4 C O2' : rot 11:sc= -0.262 USER MOD Single : A 5 U5P O3' : rot 180:sc= 0 USER MOD Single : A 6 U5P O3' : rot 12:sc= 0.38 USER MOD Single : A 7 C5P O3' : rot 134:sc= 0.537 USER MOD Single : A 8 5GP O3' : rot 99:sc= 0.384 USER MOD Single : A 9 G O2' : rot -11:sc= 0.164 USER MOD Single : A 10 U O2' : rot -120:sc= 0.225 USER MOD Single : A 11 C O2' : rot -170:sc= -1.31 USER MOD Single : A 12 C O2' : rot -17:sc= 0.303 USER MOD Single : A 12 C O3' : rot 180:sc= 0.278 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.253 -6.525 2.719 1.00 0.00 O ATOM 2 C5' G A 1 5.543 -7.901 2.400 1.00 0.00 C ATOM 3 C4' G A 1 4.400 -8.832 2.763 1.00 0.00 C ATOM 4 O4' G A 1 4.154 -8.821 4.188 1.00 0.00 O ATOM 5 C3' G A 1 3.121 -8.379 2.088 1.00 0.00 C ATOM 6 O3' G A 1 2.920 -9.063 0.841 1.00 0.00 O ATOM 7 C2' G A 1 2.049 -8.709 3.080 1.00 0.00 C ATOM 8 O2' G A 1 1.552 -10.036 2.860 1.00 0.00 O ATOM 9 C1' G A 1 2.741 -8.613 4.426 1.00 0.00 C ATOM 10 N9 G A 1 2.548 -7.291 5.051 1.00 0.00 N ATOM 11 C8 G A 1 3.474 -6.343 5.325 1.00 0.00 C ATOM 12 N7 G A 1 3.079 -5.268 5.908 1.00 0.00 N ATOM 13 C5 G A 1 1.709 -5.509 6.050 1.00 0.00 C ATOM 14 C6 G A 1 0.701 -4.696 6.624 1.00 0.00 C ATOM 15 O6 G A 1 0.815 -3.589 7.136 1.00 0.00 O ATOM 16 N1 G A 1 -0.537 -5.306 6.564 1.00 0.00 N ATOM 17 C2 G A 1 -0.788 -6.544 6.022 1.00 0.00 C ATOM 18 N2 G A 1 -2.049 -6.949 6.056 1.00 0.00 N ATOM 19 N3 G A 1 0.148 -7.323 5.480 1.00 0.00 N ATOM 20 C4 G A 1 1.372 -6.749 5.524 1.00 0.00 C ATOM 0 H5' G A 1 6.444 -8.212 2.930 1.00 0.00 H new ATOM 0 H5'' G A 1 5.754 -7.987 1.334 1.00 0.00 H new ATOM 0 H4' G A 1 4.684 -9.832 2.436 1.00 0.00 H new ATOM 0 H3' G A 1 3.134 -7.319 1.833 1.00 0.00 H new ATOM 0 H2' G A 1 1.190 -8.042 3.005 1.00 0.00 H new ATOM 0 HO2' G A 1 1.975 -10.416 2.062 1.00 0.00 H new ATOM 0 HO5' G A 1 4.611 -6.489 3.458 1.00 0.00 H new ATOM 0 H1' G A 1 2.322 -9.357 5.104 1.00 0.00 H new ATOM 0 H8 G A 1 4.512 -6.485 5.062 1.00 0.00 H new ATOM 0 H1 G A 1 -1.330 -4.796 6.954 1.00 0.00 H new ATOM 0 H21 G A 1 -2.303 -7.858 5.670 1.00 0.00 H new ATOM 0 H22 G A 1 -2.766 -6.351 6.468 1.00 0.00 H new ATOM 33 P G A 2 2.219 -8.310 -0.399 1.00 0.00 P ATOM 34 OP1 G A 2 2.062 -9.286 -1.500 1.00 0.00 O ATOM 35 OP2 G A 2 2.938 -7.038 -0.634 1.00 0.00 O ATOM 36 O5' G A 2 0.762 -7.967 0.189 1.00 0.00 O ATOM 37 C5' G A 2 -0.167 -9.021 0.500 1.00 0.00 C ATOM 38 C4' G A 2 -1.415 -8.516 1.195 1.00 0.00 C ATOM 39 O4' G A 2 -1.124 -7.945 2.483 1.00 0.00 O ATOM 40 C3' G A 2 -2.074 -7.428 0.388 1.00 0.00 C ATOM 41 O3' G A 2 -2.979 -7.983 -0.579 1.00 0.00 O ATOM 42 C2' G A 2 -2.769 -6.575 1.406 1.00 0.00 C ATOM 43 O2' G A 2 -4.155 -6.930 1.527 1.00 0.00 O ATOM 44 C1' G A 2 -2.024 -6.832 2.707 1.00 0.00 C ATOM 45 N9 G A 2 -1.294 -5.628 3.149 1.00 0.00 N ATOM 46 C8 G A 2 0.028 -5.347 3.101 1.00 0.00 C ATOM 47 N7 G A 2 0.416 -4.207 3.570 1.00 0.00 N ATOM 48 C5 G A 2 -0.797 -3.645 3.989 1.00 0.00 C ATOM 49 C6 G A 2 -1.071 -2.387 4.600 1.00 0.00 C ATOM 50 O6 G A 2 -0.287 -1.491 4.911 1.00 0.00 O ATOM 51 N1 G A 2 -2.421 -2.232 4.850 1.00 0.00 N ATOM 52 C2 G A 2 -3.395 -3.160 4.555 1.00 0.00 C ATOM 53 N2 G A 2 -4.636 -2.831 4.863 1.00 0.00 N ATOM 54 N3 G A 2 -3.155 -4.334 3.989 1.00 0.00 N ATOM 55 C4 G A 2 -1.846 -4.515 3.731 1.00 0.00 C ATOM 0 H5' G A 2 0.325 -9.757 1.136 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.450 -9.533 -0.420 1.00 0.00 H new ATOM 0 H4' G A 2 -2.065 -9.384 1.304 1.00 0.00 H new ATOM 0 H3' G A 2 -1.364 -6.844 -0.198 1.00 0.00 H new ATOM 0 H2' G A 2 -2.756 -5.521 1.127 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.695 -6.117 1.615 1.00 0.00 H new ATOM 0 H1' G A 2 -2.727 -7.075 3.504 1.00 0.00 H new ATOM 0 H8 G A 2 0.734 -6.050 2.685 1.00 0.00 H new ATOM 0 H1 G A 2 -2.720 -1.361 5.288 1.00 0.00 H new ATOM 0 H21 G A 2 -5.399 -3.479 4.668 1.00 0.00 H new ATOM 0 H22 G A 2 -4.832 -1.929 5.296 1.00 0.00 H new ATOM 67 P A A 3 -3.643 -7.063 -1.717 1.00 0.00 P ATOM 68 OP1 A A 3 -4.164 -7.952 -2.780 1.00 0.00 O ATOM 69 OP2 A A 3 -2.698 -5.975 -2.060 1.00 0.00 O ATOM 70 O5' A A 3 -4.892 -6.414 -0.932 1.00 0.00 O ATOM 71 C5' A A 3 -6.174 -7.064 -0.907 1.00 0.00 C ATOM 72 C4' A A 3 -7.283 -6.076 -0.556 1.00 0.00 C ATOM 73 O4' A A 3 -7.115 -5.562 0.786 1.00 0.00 O ATOM 74 C3' A A 3 -7.233 -4.886 -1.491 1.00 0.00 C ATOM 75 O3' A A 3 -8.089 -5.063 -2.628 1.00 0.00 O ATOM 76 C2' A A 3 -7.663 -3.734 -0.639 1.00 0.00 C ATOM 77 O2' A A 3 -9.086 -3.572 -0.681 1.00 0.00 O ATOM 78 C1' A A 3 -7.202 -4.114 0.753 1.00 0.00 C ATOM 79 N9 A A 3 -5.878 -3.541 1.025 1.00 0.00 N ATOM 80 C8 A A 3 -4.664 -4.096 0.830 1.00 0.00 C ATOM 81 N7 A A 3 -3.631 -3.398 1.134 1.00 0.00 N ATOM 82 C5 A A 3 -4.219 -2.218 1.595 1.00 0.00 C ATOM 83 C6 A A 3 -3.681 -1.034 2.083 1.00 0.00 C ATOM 84 N6 A A 3 -2.378 -0.833 2.194 1.00 0.00 N ATOM 85 N1 A A 3 -4.536 -0.066 2.453 1.00 0.00 N ATOM 86 C2 A A 3 -5.856 -0.258 2.346 1.00 0.00 C ATOM 87 N3 A A 3 -6.476 -1.347 1.894 1.00 0.00 N ATOM 88 C4 A A 3 -5.590 -2.296 1.533 1.00 0.00 C ATOM 0 H5' A A 3 -6.160 -7.874 -0.178 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.377 -7.513 -1.879 1.00 0.00 H new ATOM 0 H4' A A 3 -8.229 -6.610 -0.643 1.00 0.00 H new ATOM 0 H3' A A 3 -6.241 -4.735 -1.917 1.00 0.00 H new ATOM 0 H2' A A 3 -7.244 -2.785 -0.974 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.467 -4.193 -1.337 1.00 0.00 H new ATOM 0 H1' A A 3 -7.896 -3.737 1.504 1.00 0.00 H new ATOM 0 H8 A A 3 -4.565 -5.095 0.431 1.00 0.00 H new ATOM 0 H61 A A 3 -2.028 0.053 2.558 1.00 0.00 H new ATOM 0 H62 A A 3 -1.724 -1.564 1.916 1.00 0.00 H new ATOM 0 H2 A A 3 -6.488 0.559 2.661 1.00 0.00 H new ATOM 100 P C A 4 -7.608 -4.555 -4.081 1.00 0.00 P ATOM 101 OP1 C A 4 -8.708 -4.790 -5.044 1.00 0.00 O ATOM 102 OP2 C A 4 -6.260 -5.110 -4.344 1.00 0.00 O ATOM 103 O5' C A 4 -7.457 -2.961 -3.852 1.00 0.00 O ATOM 104 C5' C A 4 -8.591 -2.160 -3.486 1.00 0.00 C ATOM 105 C4' C A 4 -8.181 -0.823 -2.857 1.00 0.00 C ATOM 106 O4' C A 4 -7.383 -1.004 -1.671 1.00 0.00 O ATOM 107 C3' C A 4 -7.338 0.002 -3.801 1.00 0.00 C ATOM 108 O3' C A 4 -8.150 0.801 -4.678 1.00 0.00 O ATOM 109 C2' C A 4 -6.491 0.847 -2.900 1.00 0.00 C ATOM 110 O2' C A 4 -7.071 2.140 -2.697 1.00 0.00 O ATOM 111 C1' C A 4 -6.418 0.079 -1.596 1.00 0.00 C ATOM 112 N1 C A 4 -5.048 -0.428 -1.373 1.00 0.00 N ATOM 113 C2 C A 4 -4.111 0.461 -0.864 1.00 0.00 C ATOM 114 O2 C A 4 -4.426 1.621 -0.623 1.00 0.00 O ATOM 115 N3 C A 4 -2.847 0.019 -0.650 1.00 0.00 N ATOM 116 C4 C A 4 -2.508 -1.242 -0.920 1.00 0.00 C ATOM 117 N4 C A 4 -1.257 -1.632 -0.694 1.00 0.00 N ATOM 118 C5 C A 4 -3.469 -2.168 -1.447 1.00 0.00 C ATOM 119 C6 C A 4 -4.721 -1.717 -1.657 1.00 0.00 C ATOM 0 H5' C A 4 -9.213 -2.714 -2.783 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.200 -1.971 -4.370 1.00 0.00 H new ATOM 0 H4' C A 4 -9.120 -0.321 -2.621 1.00 0.00 H new ATOM 0 H3' C A 4 -6.736 -0.617 -4.466 1.00 0.00 H new ATOM 0 H2' C A 4 -5.505 1.026 -3.329 1.00 0.00 H new ATOM 0 HO2' C A 4 -7.988 2.145 -3.043 1.00 0.00 H new ATOM 0 H1' C A 4 -6.656 0.725 -0.751 1.00 0.00 H new ATOM 0 H41 C A 4 -0.978 -2.593 -0.894 1.00 0.00 H new ATOM 0 H42 C A 4 -0.576 -0.971 -0.321 1.00 0.00 H new ATOM 0 H5 C A 4 -3.198 -3.190 -1.667 1.00 0.00 H new ATOM 0 H6 C A 4 -5.471 -2.385 -2.054 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.909 3.383 -3.790 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.691 3.414 -3.133 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.985 2.233 -3.114 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.369 1.039 -3.680 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.647 1.086 -4.345 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.371 2.235 -4.380 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.258 4.428 -2.591 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.647 0.053 -3.598 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.689 4.640 -3.851 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.582 5.276 -5.230 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.258 6.676 -5.126 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.928 5.073 -5.859 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.878 4.903 -4.691 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.303 6.184 -6.689 1.00 0.00 O HETATM 145 O4' U5P A 5 -5.094 4.396 -3.589 1.00 0.00 O HETATM 146 C5' U5P A 5 -7.025 3.955 -5.044 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.542 2.637 -5.347 1.00 0.00 O HETATM 148 P U5P A 5 -7.515 1.511 -5.980 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.607 2.197 -6.709 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.673 0.518 -6.684 1.00 0.00 O HETATM 0 HO3' U5P A 5 -6.184 6.015 -7.083 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.726 3.904 -4.211 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.574 4.348 -5.900 1.00 0.00 H new HETATM 0 HN3 U5P A 5 -0.086 2.244 -2.632 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.336 2.244 -4.886 1.00 0.00 H new HETATM 0 H5 U5P A 5 -3.037 0.189 -4.826 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.342 5.853 -4.427 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.938 4.209 -6.523 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.788 4.828 -5.827 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.276 5.305 -3.092 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.583 4.125 -5.300 1.00 0.00 N HETATM 162 C2 U5P A 6 2.210 2.948 -4.939 1.00 0.00 C HETATM 163 N3 U5P A 6 1.642 1.791 -5.422 1.00 0.00 N HETATM 164 C4 U5P A 6 0.519 1.703 -6.222 1.00 0.00 C HETATM 165 C5 U5P A 6 -0.069 2.980 -6.554 1.00 0.00 C HETATM 166 C6 U5P A 6 0.471 4.131 -6.092 1.00 0.00 C HETATM 167 O2 U5P A 6 3.214 2.923 -4.236 1.00 0.00 O HETATM 168 O4 U5P A 6 0.097 0.611 -6.586 1.00 0.00 O HETATM 169 C1' U5P A 6 2.120 5.393 -4.791 1.00 0.00 C HETATM 170 C2' U5P A 6 2.403 6.341 -5.937 1.00 0.00 C HETATM 171 O2' U5P A 6 3.788 6.298 -6.304 1.00 0.00 O HETATM 172 C3' U5P A 6 2.016 7.694 -5.430 1.00 0.00 C HETATM 173 C4' U5P A 6 1.076 7.439 -4.262 1.00 0.00 C HETATM 174 O3' U5P A 6 3.167 8.431 -5.012 1.00 0.00 O HETATM 175 O4' U5P A 6 1.133 6.031 -3.955 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.356 7.863 -4.597 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.867 7.165 -5.745 1.00 0.00 O HETATM 178 P U5P A 6 -2.377 7.417 -6.259 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.655 8.870 -6.184 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.551 6.697 -7.542 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.978 7.974 -5.320 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -1.001 7.672 -3.739 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.383 8.937 -4.783 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.094 0.914 -5.164 1.00 0.00 H new HETATM 0 H6 U5P A 6 0.009 5.082 -6.357 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.958 3.017 -7.184 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.385 8.031 -3.400 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.537 8.292 -6.205 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.846 6.075 -6.836 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.033 5.176 -4.237 1.00 0.00 H new HETATM 191 P C5P A 7 4.363 5.074 -7.179 1.00 0.00 P HETATM 192 O1P C5P A 7 5.420 5.608 -8.066 1.00 0.00 O HETATM 193 O2P C5P A 7 3.217 4.339 -7.765 1.00 0.00 O HETATM 194 O5' C5P A 7 5.066 4.122 -6.078 1.00 0.00 O HETATM 195 C5' C5P A 7 5.447 2.781 -6.431 1.00 0.00 C HETATM 196 C4' C5P A 7 6.852 2.430 -5.934 1.00 0.00 C HETATM 197 O4' C5P A 7 7.737 3.547 -6.130 1.00 0.00 O HETATM 198 C3' C5P A 7 6.890 2.064 -4.451 1.00 0.00 C HETATM 199 O3' C5P A 7 7.462 0.765 -4.262 1.00 0.00 O HETATM 200 C2' C5P A 7 7.717 3.117 -3.775 1.00 0.00 C HETATM 201 O2' C5P A 7 8.649 2.483 -2.860 1.00 0.00 O HETATM 202 C1' C5P A 7 8.454 3.821 -4.909 1.00 0.00 C HETATM 203 N1 C5P A 7 8.473 5.284 -4.686 1.00 0.00 N HETATM 204 C2 C5P A 7 9.693 5.948 -4.766 1.00 0.00 C HETATM 205 N3 C5P A 7 9.707 7.292 -4.556 1.00 0.00 N HETATM 206 C4 C5P A 7 8.582 7.960 -4.283 1.00 0.00 C HETATM 207 C5 C5P A 7 7.323 7.288 -4.202 1.00 0.00 C HETATM 208 C6 C5P A 7 7.309 5.960 -4.408 1.00 0.00 C HETATM 209 O2 C5P A 7 10.722 5.331 -5.034 1.00 0.00 O HETATM 210 N4 C5P A 7 8.640 9.273 -4.087 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.114 0.798 -3.531 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.789 9.795 -3.878 1.00 0.00 H new HETATM 0 HN41 C5P A 7 9.535 9.758 -4.146 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 4.728 2.078 -6.010 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.407 2.667 -7.514 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.122 3.819 -3.190 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.367 5.415 -4.354 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.406 7.834 -3.981 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.167 1.561 -6.512 1.00 0.00 H new HETATM 0 H3' C5P A 7 5.885 2.027 -4.030 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.482 3.463 -4.960 1.00 0.00 H new HETATM 222 P 5GP A 8 9.604 3.319 -1.851 1.00 0.00 P HETATM 223 O2P 5GP A 8 10.153 2.371 -0.853 1.00 0.00 O HETATM 224 O3P 5GP A 8 10.527 4.144 -2.654 1.00 0.00 O HETATM 225 O5' 5GP A 8 8.569 4.295 -1.095 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.018 5.536 -0.513 1.00 0.00 C HETATM 227 C4' 5GP A 8 7.964 6.189 0.364 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.748 6.428 -0.371 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.605 5.309 1.548 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.396 5.633 2.697 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.153 5.587 1.795 1.00 0.00 C HETATM 232 O2' 5GP A 8 5.994 6.593 2.816 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.616 6.072 0.453 1.00 0.00 C HETATM 234 N9 5GP A 8 4.815 5.021 -0.193 1.00 0.00 N HETATM 235 C8 5GP A 8 5.120 3.722 -0.432 1.00 0.00 C HETATM 236 N7 5GP A 8 4.217 2.988 -0.982 1.00 0.00 N HETATM 237 C5 5GP A 8 3.169 3.901 -1.139 1.00 0.00 C HETATM 238 C6 5GP A 8 1.873 3.721 -1.688 1.00 0.00 C HETATM 239 O6 5GP A 8 1.366 2.698 -2.137 1.00 0.00 O HETATM 240 N1 5GP A 8 1.144 4.893 -1.655 1.00 0.00 N HETATM 241 C2 5GP A 8 1.591 6.091 -1.158 1.00 0.00 C HETATM 242 N2 5GP A 8 0.741 7.099 -1.218 1.00 0.00 N HETATM 243 N3 5GP A 8 2.799 6.276 -0.639 1.00 0.00 N HETATM 244 C4 5GP A 8 3.534 5.148 -0.659 1.00 0.00 C HETATM 0 HO3' 5GP A 8 7.879 6.209 3.298 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.012 8.017 -0.865 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.187 6.960 -1.617 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 9.914 5.351 0.080 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.299 6.225 -1.309 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.196 4.866 -2.031 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.095 3.314 -0.168 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.395 7.130 0.707 1.00 0.00 H new HETATM 0 H3' 5GP A 8 7.796 4.255 1.349 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.617 4.708 2.152 1.00 0.00 H new HETATM 0 H1' 5GP A 8 4.967 6.936 0.595 1.00 0.00 H new ATOM 256 P G A 9 5.286 6.251 4.231 1.00 0.00 P ATOM 257 OP1 G A 9 5.812 7.191 5.249 1.00 0.00 O ATOM 258 OP2 G A 9 5.380 4.792 4.459 1.00 0.00 O ATOM 259 O5' G A 9 3.743 6.620 3.945 1.00 0.00 O ATOM 260 C5' G A 9 3.345 7.994 3.770 1.00 0.00 C ATOM 261 C4' G A 9 1.947 8.145 3.194 1.00 0.00 C ATOM 262 O4' G A 9 1.840 7.576 1.869 1.00 0.00 O ATOM 263 C3' G A 9 0.922 7.431 4.042 1.00 0.00 C ATOM 264 O3' G A 9 0.431 8.250 5.110 1.00 0.00 O ATOM 265 C2' G A 9 -0.157 7.081 3.072 1.00 0.00 C ATOM 266 O2' G A 9 -1.111 8.145 2.963 1.00 0.00 O ATOM 267 C1' G A 9 0.569 6.877 1.762 1.00 0.00 C ATOM 268 N9 G A 9 0.772 5.437 1.494 1.00 0.00 N ATOM 269 C8 G A 9 1.892 4.679 1.609 1.00 0.00 C ATOM 270 N7 G A 9 1.802 3.428 1.298 1.00 0.00 N ATOM 271 C5 G A 9 0.454 3.321 0.925 1.00 0.00 C ATOM 272 C6 G A 9 -0.290 2.191 0.471 1.00 0.00 C ATOM 273 O6 G A 9 0.096 1.037 0.291 1.00 0.00 O ATOM 274 N1 G A 9 -1.609 2.525 0.211 1.00 0.00 N ATOM 275 C2 G A 9 -2.154 3.782 0.361 1.00 0.00 C ATOM 276 N2 G A 9 -3.436 3.910 0.063 1.00 0.00 N ATOM 277 N3 G A 9 -1.471 4.843 0.781 1.00 0.00 N ATOM 278 C4 G A 9 -0.180 4.549 1.045 1.00 0.00 C ATOM 0 H5' G A 9 4.058 8.491 3.111 1.00 0.00 H new ATOM 0 H5'' G A 9 3.391 8.504 4.732 1.00 0.00 H new ATOM 0 H4' G A 9 1.761 9.219 3.167 1.00 0.00 H new ATOM 0 H3' G A 9 1.339 6.558 4.544 1.00 0.00 H new ATOM 0 H2' G A 9 -0.720 6.199 3.379 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.948 8.804 3.670 1.00 0.00 H new ATOM 0 H1' G A 9 -0.014 7.270 0.929 1.00 0.00 H new ATOM 0 H8 G A 9 2.824 5.106 1.948 1.00 0.00 H new ATOM 0 H1 G A 9 -2.226 1.782 -0.117 1.00 0.00 H new ATOM 0 H21 G A 9 -3.893 4.817 0.155 1.00 0.00 H new ATOM 0 H22 G A 9 -3.968 3.101 -0.259 1.00 0.00 H new ATOM 290 P U A 10 -0.234 7.555 6.401 1.00 0.00 P ATOM 291 OP1 U A 10 -0.438 8.596 7.432 1.00 0.00 O ATOM 292 OP2 U A 10 0.544 6.338 6.725 1.00 0.00 O ATOM 293 O5' U A 10 -1.678 7.098 5.844 1.00 0.00 O ATOM 294 C5' U A 10 -2.773 8.025 5.823 1.00 0.00 C ATOM 295 C4' U A 10 -4.113 7.325 5.610 1.00 0.00 C ATOM 296 O4' U A 10 -4.205 6.716 4.299 1.00 0.00 O ATOM 297 C3' U A 10 -4.314 6.209 6.613 1.00 0.00 C ATOM 298 O3' U A 10 -4.912 6.669 7.834 1.00 0.00 O ATOM 299 C2' U A 10 -5.195 5.247 5.890 1.00 0.00 C ATOM 300 O2' U A 10 -6.577 5.585 6.077 1.00 0.00 O ATOM 301 C1' U A 10 -4.791 5.394 4.438 1.00 0.00 C ATOM 302 N1 U A 10 -3.819 4.341 4.070 1.00 0.00 N ATOM 303 C2 U A 10 -4.322 3.135 3.612 1.00 0.00 C ATOM 304 O2 U A 10 -5.525 2.928 3.477 1.00 0.00 O ATOM 305 N3 U A 10 -3.393 2.168 3.312 1.00 0.00 N ATOM 306 C4 U A 10 -2.025 2.286 3.425 1.00 0.00 C ATOM 307 O4 U A 10 -1.293 1.355 3.134 1.00 0.00 O ATOM 308 C5 U A 10 -1.579 3.564 3.906 1.00 0.00 C ATOM 309 C6 U A 10 -2.468 4.543 4.208 1.00 0.00 C ATOM 0 H5' U A 10 -2.615 8.754 5.029 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.798 8.577 6.762 1.00 0.00 H new ATOM 0 H4' U A 10 -4.870 8.101 5.724 1.00 0.00 H new ATOM 0 H3' U A 10 -3.372 5.764 6.933 1.00 0.00 H new ATOM 0 H2' U A 10 -5.085 4.224 6.250 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.040 4.839 6.512 1.00 0.00 H new ATOM 0 H1' U A 10 -5.648 5.285 3.774 1.00 0.00 H new ATOM 0 H3 U A 10 -3.751 1.275 2.972 1.00 0.00 H new ATOM 0 H5 U A 10 -0.522 3.748 4.029 1.00 0.00 H new ATOM 0 H6 U A 10 -2.107 5.497 4.563 1.00 0.00 H new ATOM 320 P C A 11 -4.480 6.003 9.240 1.00 0.00 P ATOM 321 OP1 C A 11 -5.145 6.749 10.332 1.00 0.00 O ATOM 322 OP2 C A 11 -3.007 5.845 9.241 1.00 0.00 O ATOM 323 O5' C A 11 -5.137 4.526 9.155 1.00 0.00 O ATOM 324 C5' C A 11 -6.564 4.346 9.171 1.00 0.00 C ATOM 325 C4' C A 11 -6.984 3.030 8.507 1.00 0.00 C ATOM 326 O4' C A 11 -6.397 2.912 7.194 1.00 0.00 O ATOM 327 C3' C A 11 -6.529 1.816 9.302 1.00 0.00 C ATOM 328 O3' C A 11 -7.538 1.368 10.225 1.00 0.00 O ATOM 329 C2' C A 11 -6.245 0.782 8.256 1.00 0.00 C ATOM 330 O2' C A 11 -7.386 -0.054 8.017 1.00 0.00 O ATOM 331 C1' C A 11 -5.892 1.568 7.015 1.00 0.00 C ATOM 332 N1 C A 11 -4.429 1.570 6.816 1.00 0.00 N ATOM 333 C2 C A 11 -3.872 0.490 6.153 1.00 0.00 C ATOM 334 O2 C A 11 -4.582 -0.431 5.768 1.00 0.00 O ATOM 335 N3 C A 11 -2.530 0.473 5.952 1.00 0.00 N ATOM 336 C4 C A 11 -1.762 1.473 6.382 1.00 0.00 C ATOM 337 N4 C A 11 -0.452 1.418 6.160 1.00 0.00 N ATOM 338 C5 C A 11 -2.331 2.596 7.070 1.00 0.00 C ATOM 339 C6 C A 11 -3.662 2.599 7.266 1.00 0.00 C ATOM 0 H5' C A 11 -7.040 5.180 8.656 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.920 4.362 10.201 1.00 0.00 H new ATOM 0 H4' C A 11 -8.073 3.054 8.456 1.00 0.00 H new ATOM 0 H3' C A 11 -5.660 2.034 9.923 1.00 0.00 H new ATOM 0 H2' C A 11 -5.443 0.112 8.565 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.124 -0.811 7.453 1.00 0.00 H new ATOM 0 H1' C A 11 -6.339 1.119 6.128 1.00 0.00 H new ATOM 0 H41 C A 11 0.152 2.174 6.482 1.00 0.00 H new ATOM 0 H42 C A 11 -0.051 0.619 5.668 1.00 0.00 H new ATOM 0 H5 C A 11 -1.713 3.410 7.418 1.00 0.00 H new ATOM 0 H6 C A 11 -4.125 3.425 7.785 1.00 0.00 H new ATOM 351 P C A 12 -7.199 0.248 11.342 1.00 0.00 P ATOM 352 OP1 C A 12 -8.380 0.105 12.222 1.00 0.00 O ATOM 353 OP2 C A 12 -5.878 0.559 11.932 1.00 0.00 O ATOM 354 O5' C A 12 -7.053 -1.108 10.473 1.00 0.00 O ATOM 355 C5' C A 12 -8.214 -1.843 10.054 1.00 0.00 C ATOM 356 C4' C A 12 -7.834 -3.166 9.389 1.00 0.00 C ATOM 357 O4' C A 12 -6.953 -2.959 8.265 1.00 0.00 O ATOM 358 C3' C A 12 -7.104 -4.079 10.353 1.00 0.00 C ATOM 359 O3' C A 12 -8.011 -4.941 11.054 1.00 0.00 O ATOM 360 C2' C A 12 -6.153 -4.857 9.498 1.00 0.00 C ATOM 361 O2' C A 12 -6.718 -6.123 9.125 1.00 0.00 O ATOM 362 C1' C A 12 -5.926 -3.986 8.270 1.00 0.00 C ATOM 363 N1 C A 12 -4.574 -3.382 8.292 1.00 0.00 N ATOM 364 C2 C A 12 -3.537 -4.091 7.694 1.00 0.00 C ATOM 365 O2 C A 12 -3.745 -5.187 7.174 1.00 0.00 O ATOM 366 N3 C A 12 -2.294 -3.545 7.707 1.00 0.00 N ATOM 367 C4 C A 12 -2.068 -2.360 8.277 1.00 0.00 C ATOM 368 N4 C A 12 -0.840 -1.861 8.265 1.00 0.00 N ATOM 369 C5 C A 12 -3.123 -1.624 8.894 1.00 0.00 C ATOM 370 C6 C A 12 -4.356 -2.167 8.879 1.00 0.00 C ATOM 0 H5' C A 12 -8.796 -1.239 9.357 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.852 -2.039 10.916 1.00 0.00 H new ATOM 0 H4' C A 12 -8.771 -3.617 9.064 1.00 0.00 H new ATOM 0 H3' C A 12 -6.586 -3.518 11.131 1.00 0.00 H new ATOM 0 H2' C A 12 -5.223 -5.079 10.021 1.00 0.00 H new ATOM 0 HO2' C A 12 -7.474 -6.330 9.714 1.00 0.00 H new ATOM 0 HO3' C A 12 -7.507 -5.518 11.666 1.00 0.00 H new ATOM 0 H1' C A 12 -5.989 -4.588 7.363 1.00 0.00 H new ATOM 0 H41 C A 12 -0.653 -0.956 8.697 1.00 0.00 H new ATOM 0 H42 C A 12 -0.082 -2.382 7.824 1.00 0.00 H new ATOM 0 H5 C A 12 -2.940 -0.666 9.357 1.00 0.00 H new ATOM 0 H6 C A 12 -5.180 -1.637 9.335 1.00 0.00 H new TER 383 C A 12