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 -147:sc= -1.69! USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -146:sc= -0.636 USER MOD Single : A 3 A O2' : rot -4:sc= -1.55! USER MOD Single : A 4 C O2' : rot 6:sc= -0.19 USER MOD Single : A 5 U5P O3' : rot 58:sc= 0.979 USER MOD Single : A 6 U5P O3' : rot 8:sc= 0.387 USER MOD Single : A 7 C5P O3' : rot 125:sc= 0.423 USER MOD Single : A 8 5GP O3' : rot 98:sc= 0.326 USER MOD Single : A 9 G O2' : rot 1:sc= -0.0777 USER MOD Single : A 10 U O2' : rot -142:sc= 1.13 USER MOD Single : A 11 C O2' : rot -154:sc= -1.77! USER MOD Single : A 12 C O2' : rot -21:sc= 0.318 USER MOD Single : A 12 C O3' : rot 180:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.879 -8.465 3.917 1.00 0.00 O ATOM 2 C5' G A 1 5.462 -9.739 3.397 1.00 0.00 C ATOM 3 C4' G A 1 3.957 -9.939 3.474 1.00 0.00 C ATOM 4 O4' G A 1 3.477 -9.778 4.828 1.00 0.00 O ATOM 5 C3' G A 1 3.219 -8.917 2.633 1.00 0.00 C ATOM 6 O3' G A 1 2.994 -9.393 1.290 1.00 0.00 O ATOM 7 C2' G A 1 1.927 -8.699 3.366 1.00 0.00 C ATOM 8 O2' G A 1 0.862 -9.479 2.807 1.00 0.00 O ATOM 9 C1' G A 1 2.192 -9.109 4.795 1.00 0.00 C ATOM 10 N9 G A 1 2.163 -7.928 5.673 1.00 0.00 N ATOM 11 C8 G A 1 3.178 -7.234 6.236 1.00 0.00 C ATOM 12 N7 G A 1 2.872 -6.214 6.966 1.00 0.00 N ATOM 13 C5 G A 1 1.473 -6.218 6.886 1.00 0.00 C ATOM 14 C6 G A 1 0.516 -5.345 7.472 1.00 0.00 C ATOM 15 O6 G A 1 0.707 -4.373 8.198 1.00 0.00 O ATOM 16 N1 G A 1 -0.776 -5.709 7.134 1.00 0.00 N ATOM 17 C2 G A 1 -1.117 -6.774 6.334 1.00 0.00 C ATOM 18 N2 G A 1 -2.408 -6.962 6.121 1.00 0.00 N ATOM 19 N3 G A 1 -0.234 -7.597 5.781 1.00 0.00 N ATOM 20 C4 G A 1 1.036 -7.267 6.094 1.00 0.00 C ATOM 0 H5' G A 1 5.959 -10.534 3.953 1.00 0.00 H new ATOM 0 H5'' G A 1 5.784 -9.826 2.359 1.00 0.00 H new ATOM 0 H4' G A 1 3.769 -10.949 3.110 1.00 0.00 H new ATOM 0 H3' G A 1 3.787 -7.995 2.513 1.00 0.00 H new ATOM 0 H2' G A 1 1.610 -7.659 3.292 1.00 0.00 H new ATOM 0 HO2' G A 1 0.017 -8.992 2.899 1.00 0.00 H new ATOM 0 HO5' G A 1 6.853 -8.386 3.847 1.00 0.00 H new ATOM 0 H1' G A 1 1.423 -9.790 5.159 1.00 0.00 H new ATOM 0 H8 G A 1 4.207 -7.522 6.081 1.00 0.00 H new ATOM 0 H1 G A 1 -1.536 -5.141 7.509 1.00 0.00 H new ATOM 0 H21 G A 1 -2.721 -7.736 5.535 1.00 0.00 H new ATOM 0 H22 G A 1 -3.091 -6.333 6.542 1.00 0.00 H new ATOM 33 P G A 2 2.516 -8.390 0.108 1.00 0.00 P ATOM 34 OP1 G A 2 2.578 -9.134 -1.171 1.00 0.00 O ATOM 35 OP2 G A 2 3.256 -7.114 0.250 1.00 0.00 O ATOM 36 O5' G A 2 0.962 -8.111 0.457 1.00 0.00 O ATOM 37 C5' G A 2 -0.028 -9.152 0.309 1.00 0.00 C ATOM 38 C4' G A 2 -1.392 -8.761 0.864 1.00 0.00 C ATOM 39 O4' G A 2 -1.293 -8.312 2.232 1.00 0.00 O ATOM 40 C3' G A 2 -2.005 -7.619 0.082 1.00 0.00 C ATOM 41 O3' G A 2 -2.837 -8.100 -0.987 1.00 0.00 O ATOM 42 C2' G A 2 -2.795 -6.841 1.088 1.00 0.00 C ATOM 43 O2' G A 2 -4.184 -7.204 1.060 1.00 0.00 O ATOM 44 C1' G A 2 -2.179 -7.176 2.424 1.00 0.00 C ATOM 45 N9 G A 2 -1.451 -6.017 2.961 1.00 0.00 N ATOM 46 C8 G A 2 -0.131 -5.756 2.942 1.00 0.00 C ATOM 47 N7 G A 2 0.277 -4.671 3.503 1.00 0.00 N ATOM 48 C5 G A 2 -0.925 -4.121 3.958 1.00 0.00 C ATOM 49 C6 G A 2 -1.168 -2.915 4.661 1.00 0.00 C ATOM 50 O6 G A 2 -0.361 -2.074 5.044 1.00 0.00 O ATOM 51 N1 G A 2 -2.514 -2.741 4.917 1.00 0.00 N ATOM 52 C2 G A 2 -3.512 -3.612 4.549 1.00 0.00 C ATOM 53 N2 G A 2 -4.744 -3.261 4.872 1.00 0.00 N ATOM 54 N3 G A 2 -3.301 -4.747 3.892 1.00 0.00 N ATOM 55 C4 G A 2 -1.991 -4.943 3.627 1.00 0.00 C ATOM 0 H5' G A 2 0.320 -10.051 0.817 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.130 -9.401 -0.747 1.00 0.00 H new ATOM 0 H4' G A 2 -2.010 -9.656 0.790 1.00 0.00 H new ATOM 0 H3' G A 2 -1.246 -7.003 -0.400 1.00 0.00 H new ATOM 0 H2' G A 2 -2.761 -5.772 0.879 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.732 -6.418 1.265 1.00 0.00 H new ATOM 0 H1' G A 2 -2.953 -7.430 3.149 1.00 0.00 H new ATOM 0 H8 G A 2 0.564 -6.435 2.471 1.00 0.00 H new ATOM 0 H1 G A 2 -2.790 -1.898 5.420 1.00 0.00 H new ATOM 0 H21 G A 2 -5.528 -3.866 4.626 1.00 0.00 H new ATOM 0 H22 G A 2 -4.911 -2.385 5.367 1.00 0.00 H new ATOM 67 P A A 3 -3.469 -7.082 -2.064 1.00 0.00 P ATOM 68 OP1 A A 3 -3.970 -7.876 -3.207 1.00 0.00 O ATOM 69 OP2 A A 3 -2.507 -5.979 -2.293 1.00 0.00 O ATOM 70 O5' A A 3 -4.738 -6.480 -1.261 1.00 0.00 O ATOM 71 C5' A A 3 -6.022 -7.132 -1.290 1.00 0.00 C ATOM 72 C4' A A 3 -7.136 -6.189 -0.827 1.00 0.00 C ATOM 73 O4' A A 3 -6.939 -5.783 0.551 1.00 0.00 O ATOM 74 C3' A A 3 -7.135 -4.923 -1.661 1.00 0.00 C ATOM 75 O3' A A 3 -8.027 -5.018 -2.782 1.00 0.00 O ATOM 76 C2' A A 3 -7.563 -3.856 -0.701 1.00 0.00 C ATOM 77 O2' A A 3 -8.991 -3.725 -0.691 1.00 0.00 O ATOM 78 C1' A A 3 -7.051 -4.338 0.642 1.00 0.00 C ATOM 79 N9 A A 3 -5.724 -3.771 0.911 1.00 0.00 N ATOM 80 C8 A A 3 -4.523 -4.303 0.622 1.00 0.00 C ATOM 81 N7 A A 3 -3.477 -3.628 0.928 1.00 0.00 N ATOM 82 C5 A A 3 -4.039 -2.488 1.500 1.00 0.00 C ATOM 83 C6 A A 3 -3.472 -1.348 2.044 1.00 0.00 C ATOM 84 N6 A A 3 -2.161 -1.162 2.100 1.00 0.00 N ATOM 85 N1 A A 3 -4.301 -0.405 2.527 1.00 0.00 N ATOM 86 C2 A A 3 -5.627 -0.585 2.472 1.00 0.00 C ATOM 87 N3 A A 3 -6.277 -1.639 1.970 1.00 0.00 N ATOM 88 C4 A A 3 -5.413 -2.561 1.497 1.00 0.00 C ATOM 0 H5' A A 3 -5.999 -8.013 -0.649 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.233 -7.479 -2.302 1.00 0.00 H new ATOM 0 H4' A A 3 -8.075 -6.732 -0.933 1.00 0.00 H new ATOM 0 H3' A A 3 -6.159 -4.720 -2.102 1.00 0.00 H new ATOM 0 H2' A A 3 -7.173 -2.873 -0.965 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.379 -4.321 -1.366 1.00 0.00 H new ATOM 0 H1' A A 3 -7.724 -4.034 1.443 1.00 0.00 H new ATOM 0 H8 A A 3 -4.442 -5.269 0.147 1.00 0.00 H new ATOM 0 H61 A A 3 -1.784 -0.307 2.509 1.00 0.00 H new ATOM 0 H62 A A 3 -1.529 -1.874 1.734 1.00 0.00 H new ATOM 0 H2 A A 3 -6.237 0.208 2.878 1.00 0.00 H new ATOM 100 P C A 4 -7.667 -4.273 -4.168 1.00 0.00 P ATOM 101 OP1 C A 4 -8.846 -4.356 -5.059 1.00 0.00 O ATOM 102 OP2 C A 4 -6.351 -4.766 -4.632 1.00 0.00 O ATOM 103 O5' C A 4 -7.487 -2.738 -3.697 1.00 0.00 O ATOM 104 C5' C A 4 -8.598 -1.994 -3.178 1.00 0.00 C ATOM 105 C4' C A 4 -8.155 -0.711 -2.471 1.00 0.00 C ATOM 106 O4' C A 4 -7.287 -0.975 -1.350 1.00 0.00 O ATOM 107 C3' C A 4 -7.369 0.188 -3.393 1.00 0.00 C ATOM 108 O3' C A 4 -8.223 1.024 -4.190 1.00 0.00 O ATOM 109 C2' C A 4 -6.510 0.992 -2.472 1.00 0.00 C ATOM 110 O2' C A 4 -7.147 2.223 -2.125 1.00 0.00 O ATOM 111 C1' C A 4 -6.331 0.116 -1.247 1.00 0.00 C ATOM 112 N1 C A 4 -4.940 -0.380 -1.169 1.00 0.00 N ATOM 113 C2 C A 4 -3.975 0.494 -0.687 1.00 0.00 C ATOM 114 O2 C A 4 -4.283 1.632 -0.355 1.00 0.00 O ATOM 115 N3 C A 4 -2.692 0.061 -0.603 1.00 0.00 N ATOM 116 C4 C A 4 -2.362 -1.176 -0.975 1.00 0.00 C ATOM 117 N4 C A 4 -1.092 -1.557 -0.876 1.00 0.00 N ATOM 118 C5 C A 4 -3.354 -2.085 -1.475 1.00 0.00 C ATOM 119 C6 C A 4 -4.623 -1.644 -1.555 1.00 0.00 C ATOM 0 H5' C A 4 -9.156 -2.618 -2.480 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.277 -1.742 -3.993 1.00 0.00 H new ATOM 0 H4' C A 4 -9.081 -0.238 -2.142 1.00 0.00 H new ATOM 0 H3' C A 4 -6.785 -0.378 -4.119 1.00 0.00 H new ATOM 0 H2' C A 4 -5.558 1.260 -2.930 1.00 0.00 H new ATOM 0 HO2' C A 4 -8.054 2.238 -2.495 1.00 0.00 H new ATOM 0 H1' C A 4 -6.514 0.679 -0.332 1.00 0.00 H new ATOM 0 H41 C A 4 -0.819 -2.499 -1.155 1.00 0.00 H new ATOM 0 H42 C A 4 -0.391 -0.907 -0.521 1.00 0.00 H new ATOM 0 H5 C A 4 -3.091 -3.088 -1.777 1.00 0.00 H new ATOM 0 H6 C A 4 -5.395 -2.300 -1.929 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.817 3.537 -3.447 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.538 3.612 -2.929 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.807 2.446 -2.943 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.227 1.223 -3.417 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.573 1.225 -3.942 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.317 2.362 -3.942 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.076 4.653 -2.473 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.484 0.249 -3.370 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.627 4.777 -3.456 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.594 5.436 -4.825 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.298 6.839 -4.701 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.961 5.216 -5.398 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.852 5.032 -4.190 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.385 6.321 -6.211 1.00 0.00 O HETATM 145 O4' U5P A 5 -5.015 4.496 -3.142 1.00 0.00 O HETATM 146 C5' U5P A 5 -7.035 4.112 -4.502 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.602 2.814 -4.939 1.00 0.00 O HETATM 148 P U5P A 5 -7.656 1.736 -5.524 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.771 2.473 -6.161 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.901 0.728 -6.302 1.00 0.00 O HETATM 0 HO3' U5P A 5 -4.736 6.466 -6.931 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.658 4.007 -3.614 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.655 4.567 -5.274 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.139 2.492 -2.565 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.330 2.338 -4.343 1.00 0.00 H new HETATM 0 H5 U5P A 5 -2.996 0.304 -4.343 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.293 5.980 -3.881 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.991 4.354 -6.065 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.820 5.017 -5.468 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.197 5.439 -2.704 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.641 4.260 -5.460 1.00 0.00 N HETATM 162 C2 U5P A 6 2.404 3.185 -5.041 1.00 0.00 C HETATM 163 N3 U5P A 6 1.890 1.939 -5.315 1.00 0.00 N HETATM 164 C4 U5P A 6 0.699 1.671 -5.960 1.00 0.00 C HETATM 165 C5 U5P A 6 -0.033 2.850 -6.362 1.00 0.00 C HETATM 166 C6 U5P A 6 0.451 4.086 -6.105 1.00 0.00 C HETATM 167 O2 U5P A 6 3.477 3.323 -4.463 1.00 0.00 O HETATM 168 O4 U5P A 6 0.343 0.516 -6.152 1.00 0.00 O HETATM 169 C1' U5P A 6 2.141 5.615 -5.191 1.00 0.00 C HETATM 170 C2' U5P A 6 2.155 6.438 -6.464 1.00 0.00 C HETATM 171 O2' U5P A 6 3.448 6.402 -7.087 1.00 0.00 O HETATM 172 C3' U5P A 6 1.790 7.826 -6.036 1.00 0.00 C HETATM 173 C4' U5P A 6 1.128 7.673 -4.670 1.00 0.00 C HETATM 174 O3' U5P A 6 2.949 8.664 -5.962 1.00 0.00 O HETATM 175 O4' U5P A 6 1.267 6.292 -4.266 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.346 8.092 -4.716 1.00 0.00 C HETATM 177 O5' U5P A 6 -1.079 7.396 -5.736 1.00 0.00 O HETATM 178 P U5P A 6 -2.658 7.664 -5.927 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.916 9.104 -5.701 1.00 0.00 O HETATM 180 O2P U5P A 6 -3.097 7.024 -7.192 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.721 8.187 -6.332 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.806 7.901 -3.747 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.411 9.165 -4.894 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.442 1.136 -5.013 1.00 0.00 H new HETATM 0 H6 U5P A 6 -0.120 4.960 -6.419 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.987 2.742 -6.879 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.613 8.326 -3.945 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.120 8.304 -6.751 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.458 6.052 -7.208 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.147 5.518 -4.782 1.00 0.00 H new HETATM 191 P C5P A 7 3.971 5.062 -7.820 1.00 0.00 P HETATM 192 O1P C5P A 7 4.858 5.467 -8.930 1.00 0.00 O HETATM 193 O2P C5P A 7 2.806 4.186 -8.088 1.00 0.00 O HETATM 194 O5' C5P A 7 4.876 4.370 -6.679 1.00 0.00 O HETATM 195 C5' C5P A 7 5.379 3.034 -6.846 1.00 0.00 C HETATM 196 C4' C5P A 7 6.841 2.927 -6.408 1.00 0.00 C HETATM 197 O4' C5P A 7 7.613 3.948 -7.063 1.00 0.00 O HETATM 198 C3' C5P A 7 7.007 3.117 -4.900 1.00 0.00 C HETATM 199 O3' C5P A 7 7.784 2.060 -4.327 1.00 0.00 O HETATM 200 C2' C5P A 7 7.695 4.432 -4.727 1.00 0.00 C HETATM 201 O2' C5P A 7 8.706 4.344 -3.700 1.00 0.00 O HETATM 202 C1' C5P A 7 8.323 4.721 -6.077 1.00 0.00 C HETATM 203 N1 C5P A 7 8.201 6.153 -6.396 1.00 0.00 N HETATM 204 C2 C5P A 7 9.356 6.861 -6.699 1.00 0.00 C HETATM 205 N3 C5P A 7 9.239 8.184 -6.996 1.00 0.00 N HETATM 206 C4 C5P A 7 8.045 8.785 -6.995 1.00 0.00 C HETATM 207 C5 C5P A 7 6.850 8.061 -6.682 1.00 0.00 C HETATM 208 C6 C5P A 7 6.972 6.754 -6.390 1.00 0.00 C HETATM 209 O2 C5P A 7 10.449 6.299 -6.695 1.00 0.00 O HETATM 210 N4 C5P A 7 7.975 10.079 -7.294 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.540 2.441 -3.833 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.072 10.553 -7.298 1.00 0.00 H new HETATM 0 HN41 C5P A 7 8.824 10.597 -7.519 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 4.772 2.340 -6.264 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.288 2.738 -7.891 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.008 5.220 -4.418 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.085 6.169 -6.147 1.00 0.00 H new HETATM 0 H5 C5P A 7 5.877 8.552 -6.680 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.184 1.928 -6.678 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.042 3.098 -4.393 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.381 4.459 -6.065 1.00 0.00 H new HETATM 222 P 5GP A 8 9.469 5.658 -3.143 1.00 0.00 P HETATM 223 O2P 5GP A 8 10.927 5.397 -3.177 1.00 0.00 O HETATM 224 O3P 5GP A 8 8.916 6.850 -3.823 1.00 0.00 O HETATM 225 O5' 5GP A 8 8.998 5.704 -1.602 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.197 6.892 -0.815 1.00 0.00 C HETATM 227 C4' 5GP A 8 8.059 7.166 0.157 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.782 7.243 -0.511 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.931 6.076 1.202 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.773 6.331 2.333 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.484 6.109 1.582 1.00 0.00 C HETATM 232 O2' 5GP A 8 6.294 6.946 2.737 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.768 6.675 0.356 1.00 0.00 C HETATM 234 N9 5GP A 8 5.010 5.609 -0.332 1.00 0.00 N HETATM 235 C8 5GP A 8 5.393 4.351 -0.662 1.00 0.00 C HETATM 236 N7 5GP A 8 4.516 3.581 -1.208 1.00 0.00 N HETATM 237 C5 5GP A 8 3.397 4.418 -1.260 1.00 0.00 C HETATM 238 C6 5GP A 8 2.089 4.167 -1.753 1.00 0.00 C HETATM 239 O6 5GP A 8 1.634 3.133 -2.235 1.00 0.00 O HETATM 240 N1 5GP A 8 1.276 5.274 -1.616 1.00 0.00 N HETATM 241 C2 5GP A 8 1.656 6.477 -1.077 1.00 0.00 C HETATM 242 N2 5GP A 8 0.729 7.421 -1.039 1.00 0.00 N HETATM 243 N3 5GP A 8 2.876 6.730 -0.608 1.00 0.00 N HETATM 244 C4 5GP A 8 3.695 5.664 -0.727 1.00 0.00 C HETATM 0 HO3' 5GP A 8 8.245 6.746 3.047 1.00 0.00 H new HETATM 0 HN22 5GP A 8 0.950 8.338 -0.650 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.206 7.232 -1.399 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.128 6.798 -0.256 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.310 7.747 -1.482 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.313 5.191 -1.942 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.408 4.003 -0.472 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.309 8.120 0.622 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.244 5.101 0.827 1.00 0.00 H new HETATM 0 H2' 5GP A 8 6.097 5.126 1.850 1.00 0.00 H new HETATM 0 H1' 5GP A 8 5.049 7.443 0.643 1.00 0.00 H new ATOM 256 P G A 9 5.796 6.319 4.137 1.00 0.00 P ATOM 257 OP1 G A 9 6.350 7.138 5.240 1.00 0.00 O ATOM 258 OP2 G A 9 6.045 4.860 4.103 1.00 0.00 O ATOM 259 O5' G A 9 4.209 6.565 4.065 1.00 0.00 O ATOM 260 C5' G A 9 3.687 7.904 4.016 1.00 0.00 C ATOM 261 C4' G A 9 2.259 7.966 3.508 1.00 0.00 C ATOM 262 O4' G A 9 2.138 7.471 2.154 1.00 0.00 O ATOM 263 C3' G A 9 1.342 7.111 4.345 1.00 0.00 C ATOM 264 O3' G A 9 0.865 7.795 5.512 1.00 0.00 O ATOM 265 C2' G A 9 0.232 6.772 3.408 1.00 0.00 C ATOM 266 O2' G A 9 -0.788 7.777 3.445 1.00 0.00 O ATOM 267 C1' G A 9 0.895 6.723 2.047 1.00 0.00 C ATOM 268 N9 G A 9 1.135 5.321 1.641 1.00 0.00 N ATOM 269 C8 G A 9 2.284 4.597 1.618 1.00 0.00 C ATOM 270 N7 G A 9 2.204 3.366 1.223 1.00 0.00 N ATOM 271 C5 G A 9 0.833 3.241 0.944 1.00 0.00 C ATOM 272 C6 G A 9 0.081 2.123 0.465 1.00 0.00 C ATOM 273 O6 G A 9 0.472 0.992 0.175 1.00 0.00 O ATOM 274 N1 G A 9 -1.262 2.439 0.330 1.00 0.00 N ATOM 275 C2 G A 9 -1.822 3.665 0.614 1.00 0.00 C ATOM 276 N2 G A 9 -3.125 3.780 0.431 1.00 0.00 N ATOM 277 N3 G A 9 -1.133 4.710 1.056 1.00 0.00 N ATOM 278 C4 G A 9 0.179 4.437 1.200 1.00 0.00 C ATOM 0 H5' G A 9 4.322 8.512 3.372 1.00 0.00 H new ATOM 0 H5'' G A 9 3.731 8.342 5.013 1.00 0.00 H new ATOM 0 H4' G A 9 1.983 9.019 3.559 1.00 0.00 H new ATOM 0 H3' G A 9 1.847 6.231 4.743 1.00 0.00 H new ATOM 0 H2' G A 9 -0.260 5.834 3.664 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.527 8.486 4.069 1.00 0.00 H new ATOM 0 H1' G A 9 0.258 7.164 1.280 1.00 0.00 H new ATOM 0 H8 G A 9 3.227 5.031 1.917 1.00 0.00 H new ATOM 0 H1 G A 9 -1.885 1.705 -0.007 1.00 0.00 H new ATOM 0 H21 G A 9 -3.591 4.666 0.626 1.00 0.00 H new ATOM 0 H22 G A 9 -3.665 2.983 0.095 1.00 0.00 H new ATOM 290 P U A 10 0.204 6.949 6.714 1.00 0.00 P ATOM 291 OP1 U A 10 0.003 7.858 7.864 1.00 0.00 O ATOM 292 OP2 U A 10 0.979 5.699 6.885 1.00 0.00 O ATOM 293 O5' U A 10 -1.240 6.566 6.109 1.00 0.00 O ATOM 294 C5' U A 10 -2.326 7.504 6.153 1.00 0.00 C ATOM 295 C4' U A 10 -3.674 6.813 5.982 1.00 0.00 C ATOM 296 O4' U A 10 -3.809 6.225 4.667 1.00 0.00 O ATOM 297 C3' U A 10 -3.830 5.686 6.979 1.00 0.00 C ATOM 298 O3' U A 10 -4.436 6.132 8.201 1.00 0.00 O ATOM 299 C2' U A 10 -4.673 4.679 6.262 1.00 0.00 C ATOM 300 O2' U A 10 -6.069 4.872 6.531 1.00 0.00 O ATOM 301 C1' U A 10 -4.365 4.892 4.799 1.00 0.00 C ATOM 302 N1 U A 10 -3.410 3.865 4.326 1.00 0.00 N ATOM 303 C2 U A 10 -3.934 2.695 3.807 1.00 0.00 C ATOM 304 O2 U A 10 -5.142 2.495 3.726 1.00 0.00 O ATOM 305 N3 U A 10 -3.023 1.755 3.390 1.00 0.00 N ATOM 306 C4 U A 10 -1.649 1.868 3.442 1.00 0.00 C ATOM 307 O4 U A 10 -0.931 0.963 3.037 1.00 0.00 O ATOM 308 C5 U A 10 -1.180 3.110 3.996 1.00 0.00 C ATOM 309 C6 U A 10 -2.054 4.060 4.414 1.00 0.00 C ATOM 0 H5' U A 10 -2.196 8.248 5.367 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.308 8.037 7.103 1.00 0.00 H new ATOM 0 H4' U A 10 -4.432 7.582 6.134 1.00 0.00 H new ATOM 0 H3' U A 10 -2.872 5.270 7.290 1.00 0.00 H new ATOM 0 H2' U A 10 -4.452 3.662 6.586 1.00 0.00 H new ATOM 0 HO2' U A 10 -6.510 4.001 6.614 1.00 0.00 H new ATOM 0 H1' U A 10 -5.264 4.800 4.190 1.00 0.00 H new ATOM 0 H3 U A 10 -3.399 0.889 3.004 1.00 0.00 H new ATOM 0 H5 U A 10 -0.118 3.289 4.080 1.00 0.00 H new ATOM 0 H6 U A 10 -1.676 4.985 4.823 1.00 0.00 H new ATOM 320 P C A 11 -4.008 5.464 9.605 1.00 0.00 P ATOM 321 OP1 C A 11 -4.573 6.284 10.700 1.00 0.00 O ATOM 322 OP2 C A 11 -2.553 5.190 9.561 1.00 0.00 O ATOM 323 O5' C A 11 -4.783 4.044 9.576 1.00 0.00 O ATOM 324 C5' C A 11 -6.218 3.989 9.519 1.00 0.00 C ATOM 325 C4' C A 11 -6.718 2.728 8.806 1.00 0.00 C ATOM 326 O4' C A 11 -6.075 2.578 7.521 1.00 0.00 O ATOM 327 C3' C A 11 -6.416 1.465 9.595 1.00 0.00 C ATOM 328 O3' C A 11 -7.507 1.097 10.462 1.00 0.00 O ATOM 329 C2' C A 11 -6.180 0.420 8.542 1.00 0.00 C ATOM 330 O2' C A 11 -7.376 -0.315 8.254 1.00 0.00 O ATOM 331 C1' C A 11 -5.728 1.185 7.319 1.00 0.00 C ATOM 332 N1 C A 11 -4.276 1.000 7.120 1.00 0.00 N ATOM 333 C2 C A 11 -3.877 -0.131 6.429 1.00 0.00 C ATOM 334 O2 C A 11 -4.709 -0.941 6.034 1.00 0.00 O ATOM 335 N3 C A 11 -2.554 -0.326 6.216 1.00 0.00 N ATOM 336 C4 C A 11 -1.652 0.549 6.660 1.00 0.00 C ATOM 337 N4 C A 11 -0.366 0.324 6.418 1.00 0.00 N ATOM 338 C5 C A 11 -2.051 1.720 7.379 1.00 0.00 C ATOM 339 C6 C A 11 -3.367 1.906 7.588 1.00 0.00 C ATOM 0 H5' C A 11 -6.594 4.871 9.001 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.622 4.017 10.531 1.00 0.00 H new ATOM 0 H4' C A 11 -7.796 2.853 8.700 1.00 0.00 H new ATOM 0 H3' C A 11 -5.560 1.593 10.258 1.00 0.00 H new ATOM 0 H2' C A 11 -5.443 -0.313 8.871 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.140 -1.206 7.920 1.00 0.00 H new ATOM 0 H1' C A 11 -6.220 0.820 6.418 1.00 0.00 H new ATOM 0 H41 C A 11 0.338 0.983 6.750 1.00 0.00 H new ATOM 0 H42 C A 11 -0.082 -0.508 5.900 1.00 0.00 H new ATOM 0 H5 C A 11 -1.322 2.429 7.741 1.00 0.00 H new ATOM 0 H6 C A 11 -3.707 2.777 8.129 1.00 0.00 H new ATOM 351 P C A 12 -7.330 -0.072 11.570 1.00 0.00 P ATOM 352 OP1 C A 12 -8.544 -0.092 12.415 1.00 0.00 O ATOM 353 OP2 C A 12 -5.999 0.083 12.201 1.00 0.00 O ATOM 354 O5' C A 12 -7.309 -1.425 10.690 1.00 0.00 O ATOM 355 C5' C A 12 -8.504 -1.917 10.063 1.00 0.00 C ATOM 356 C4' C A 12 -8.222 -3.158 9.220 1.00 0.00 C ATOM 357 O4' C A 12 -7.185 -2.905 8.248 1.00 0.00 O ATOM 358 C3' C A 12 -7.744 -4.309 10.084 1.00 0.00 C ATOM 359 O3' C A 12 -8.830 -5.145 10.500 1.00 0.00 O ATOM 360 C2' C A 12 -6.779 -5.059 9.223 1.00 0.00 C ATOM 361 O2' C A 12 -7.432 -6.153 8.559 1.00 0.00 O ATOM 362 C1' C A 12 -6.277 -4.037 8.214 1.00 0.00 C ATOM 363 N1 C A 12 -4.896 -3.616 8.537 1.00 0.00 N ATOM 364 C2 C A 12 -3.852 -4.348 7.988 1.00 0.00 C ATOM 365 O2 C A 12 -4.083 -5.307 7.256 1.00 0.00 O ATOM 366 N3 C A 12 -2.578 -3.976 8.283 1.00 0.00 N ATOM 367 C4 C A 12 -2.334 -2.932 9.081 1.00 0.00 C ATOM 368 N4 C A 12 -1.073 -2.603 9.346 1.00 0.00 N ATOM 369 C5 C A 12 -3.404 -2.172 9.649 1.00 0.00 C ATOM 370 C6 C A 12 -4.663 -2.548 9.351 1.00 0.00 C ATOM 0 H5' C A 12 -8.933 -1.138 9.433 1.00 0.00 H new ATOM 0 H5'' C A 12 -9.245 -2.155 10.826 1.00 0.00 H new ATOM 0 H4' C A 12 -9.159 -3.411 8.725 1.00 0.00 H new ATOM 0 H3' C A 12 -7.282 -3.957 11.007 1.00 0.00 H new ATOM 0 H2' C A 12 -5.966 -5.494 9.803 1.00 0.00 H new ATOM 0 HO2' C A 12 -8.250 -6.389 9.044 1.00 0.00 H new ATOM 0 HO3' C A 12 -8.486 -5.877 11.053 1.00 0.00 H new ATOM 0 H1' C A 12 -6.253 -4.471 7.214 1.00 0.00 H new ATOM 0 H41 C A 12 -0.870 -1.809 9.953 1.00 0.00 H new ATOM 0 H42 C A 12 -0.309 -3.145 8.942 1.00 0.00 H new ATOM 0 H5 C A 12 -3.210 -1.327 10.293 1.00 0.00 H new ATOM 0 H6 C A 12 -5.496 -1.997 9.762 1.00 0.00 H new TER 383 C A 12