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 -130:sc= 0.191 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0268 USER MOD Single : A 2 G O2' : rot 180:sc= -0.834 USER MOD Single : A 3 A O2' : rot -3:sc= -1.74! USER MOD Single : A 4 C O2' : rot 171:sc= -0.865 USER MOD Single : A 5 U5P O3' : rot 180:sc=-0.00707 USER MOD Single : A 6 U5P O3' : rot 14:sc= 0.345 USER MOD Single : A 7 C5P O3' : rot -151:sc= 1.06 USER MOD Single : A 8 5GP O3' : rot 99:sc= 0.282 USER MOD Single : A 9 G O2' : rot 6:sc= -0.0862 USER MOD Single : A 10 U O2' : rot -148:sc= 0.75 USER MOD Single : A 11 C O2' : rot -151:sc= -2.07! USER MOD Single : A 12 C O2' : rot -12:sc= 0.31 USER MOD Single : A 12 C O3' : rot 180:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.701 -7.575 4.414 1.00 0.00 O ATOM 2 C5' G A 1 5.529 -8.866 3.803 1.00 0.00 C ATOM 3 C4' G A 1 4.084 -9.346 3.826 1.00 0.00 C ATOM 4 O4' G A 1 3.585 -9.446 5.179 1.00 0.00 O ATOM 5 C3' G A 1 3.174 -8.376 3.096 1.00 0.00 C ATOM 6 O3' G A 1 3.011 -8.735 1.710 1.00 0.00 O ATOM 7 C2' G A 1 1.876 -8.445 3.842 1.00 0.00 C ATOM 8 O2' G A 1 0.949 -9.344 3.214 1.00 0.00 O ATOM 9 C1' G A 1 2.236 -8.915 5.229 1.00 0.00 C ATOM 10 N9 G A 1 2.135 -7.786 6.162 1.00 0.00 N ATOM 11 C8 G A 1 3.103 -7.133 6.838 1.00 0.00 C ATOM 12 N7 G A 1 2.746 -6.140 7.585 1.00 0.00 N ATOM 13 C5 G A 1 1.358 -6.121 7.385 1.00 0.00 C ATOM 14 C6 G A 1 0.361 -5.261 7.924 1.00 0.00 C ATOM 15 O6 G A 1 0.495 -4.325 8.708 1.00 0.00 O ATOM 16 N1 G A 1 -0.901 -5.592 7.457 1.00 0.00 N ATOM 17 C2 G A 1 -1.180 -6.618 6.586 1.00 0.00 C ATOM 18 N2 G A 1 -2.449 -6.779 6.250 1.00 0.00 N ATOM 19 N3 G A 1 -0.260 -7.428 6.077 1.00 0.00 N ATOM 20 C4 G A 1 0.982 -7.129 6.514 1.00 0.00 C ATOM 0 H5' G A 1 6.156 -9.593 4.319 1.00 0.00 H new ATOM 0 H5'' G A 1 5.875 -8.823 2.770 1.00 0.00 H new ATOM 0 H4' G A 1 4.080 -10.322 3.341 1.00 0.00 H new ATOM 0 H3' G A 1 3.584 -7.366 3.078 1.00 0.00 H new ATOM 0 H2' G A 1 1.377 -7.476 3.859 1.00 0.00 H new ATOM 0 HO2' G A 1 0.084 -8.897 3.104 1.00 0.00 H new ATOM 0 HO5' G A 1 6.646 -7.317 4.373 1.00 0.00 H new ATOM 0 H1' G A 1 1.557 -9.694 5.576 1.00 0.00 H new ATOM 0 H8 G A 1 4.139 -7.429 6.758 1.00 0.00 H new ATOM 0 H1 G A 1 -1.686 -5.029 7.786 1.00 0.00 H new ATOM 0 H21 G A 1 -2.716 -7.524 5.607 1.00 0.00 H new ATOM 0 H22 G A 1 -3.161 -6.158 6.634 1.00 0.00 H new ATOM 33 P G A 2 2.358 -7.699 0.651 1.00 0.00 P ATOM 34 OP1 G A 2 2.589 -8.228 -0.711 1.00 0.00 O ATOM 35 OP2 G A 2 2.816 -6.335 0.997 1.00 0.00 O ATOM 36 O5' G A 2 0.774 -7.787 0.969 1.00 0.00 O ATOM 37 C5' G A 2 -0.033 -8.892 0.495 1.00 0.00 C ATOM 38 C4' G A 2 -1.500 -8.746 0.882 1.00 0.00 C ATOM 39 O4' G A 2 -1.610 -8.483 2.295 1.00 0.00 O ATOM 40 C3' G A 2 -2.140 -7.569 0.163 1.00 0.00 C ATOM 41 O3' G A 2 -2.847 -7.993 -1.018 1.00 0.00 O ATOM 42 C2' G A 2 -3.067 -6.968 1.170 1.00 0.00 C ATOM 43 O2' G A 2 -4.406 -7.460 1.020 1.00 0.00 O ATOM 44 C1' G A 2 -2.493 -7.354 2.505 1.00 0.00 C ATOM 45 N9 G A 2 -1.749 -6.224 3.067 1.00 0.00 N ATOM 46 C8 G A 2 -0.421 -6.013 3.085 1.00 0.00 C ATOM 47 N7 G A 2 0.011 -4.937 3.645 1.00 0.00 N ATOM 48 C5 G A 2 -1.185 -4.338 4.056 1.00 0.00 C ATOM 49 C6 G A 2 -1.408 -3.116 4.737 1.00 0.00 C ATOM 50 O6 G A 2 -0.585 -2.296 5.135 1.00 0.00 O ATOM 51 N1 G A 2 -2.756 -2.896 4.946 1.00 0.00 N ATOM 52 C2 G A 2 -3.771 -3.734 4.558 1.00 0.00 C ATOM 53 N2 G A 2 -5.001 -3.339 4.844 1.00 0.00 N ATOM 54 N3 G A 2 -3.580 -4.883 3.922 1.00 0.00 N ATOM 55 C4 G A 2 -2.270 -5.126 3.702 1.00 0.00 C ATOM 0 H5' G A 2 0.357 -9.825 0.903 1.00 0.00 H new ATOM 0 H5'' G A 2 0.049 -8.960 -0.590 1.00 0.00 H new ATOM 0 H4' G A 2 -2.002 -9.674 0.609 1.00 0.00 H new ATOM 0 H3' G A 2 -1.398 -6.852 -0.188 1.00 0.00 H new ATOM 0 H2' G A 2 -3.141 -5.887 1.052 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.984 -7.046 1.695 1.00 0.00 H new ATOM 0 H1' G A 2 -3.285 -7.622 3.204 1.00 0.00 H new ATOM 0 H8 G A 2 0.262 -6.724 2.644 1.00 0.00 H new ATOM 0 H1 G A 2 -3.019 -2.038 5.430 1.00 0.00 H new ATOM 0 H21 G A 2 -5.797 -3.920 4.581 1.00 0.00 H new ATOM 0 H22 G A 2 -5.153 -2.454 5.328 1.00 0.00 H new ATOM 67 P A A 3 -3.465 -6.917 -2.055 1.00 0.00 P ATOM 68 OP1 A A 3 -3.930 -7.648 -3.255 1.00 0.00 O ATOM 69 OP2 A A 3 -2.506 -5.796 -2.197 1.00 0.00 O ATOM 70 O5' A A 3 -4.761 -6.366 -1.257 1.00 0.00 O ATOM 71 C5' A A 3 -6.055 -6.988 -1.385 1.00 0.00 C ATOM 72 C4' A A 3 -7.167 -6.040 -0.930 1.00 0.00 C ATOM 73 O4' A A 3 -6.957 -5.625 0.443 1.00 0.00 O ATOM 74 C3' A A 3 -7.156 -4.782 -1.775 1.00 0.00 C ATOM 75 O3' A A 3 -8.070 -4.878 -2.878 1.00 0.00 O ATOM 76 C2' A A 3 -7.552 -3.698 -0.820 1.00 0.00 C ATOM 77 O2' A A 3 -8.977 -3.540 -0.795 1.00 0.00 O ATOM 78 C1' A A 3 -7.036 -4.177 0.520 1.00 0.00 C ATOM 79 N9 A A 3 -5.690 -3.644 0.769 1.00 0.00 N ATOM 80 C8 A A 3 -4.508 -4.211 0.472 1.00 0.00 C ATOM 81 N7 A A 3 -3.438 -3.576 0.785 1.00 0.00 N ATOM 82 C5 A A 3 -3.961 -2.424 1.371 1.00 0.00 C ATOM 83 C6 A A 3 -3.357 -1.304 1.931 1.00 0.00 C ATOM 84 N6 A A 3 -2.040 -1.154 1.994 1.00 0.00 N ATOM 85 N1 A A 3 -4.159 -0.344 2.420 1.00 0.00 N ATOM 86 C2 A A 3 -5.490 -0.482 2.359 1.00 0.00 C ATOM 87 N3 A A 3 -6.171 -1.509 1.847 1.00 0.00 N ATOM 88 C4 A A 3 -5.338 -2.452 1.367 1.00 0.00 C ATOM 0 H5' A A 3 -6.084 -7.901 -0.790 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.222 -7.279 -2.422 1.00 0.00 H new ATOM 0 H4' A A 3 -8.112 -6.574 -1.029 1.00 0.00 H new ATOM 0 H3' A A 3 -6.184 -4.597 -2.232 1.00 0.00 H new ATOM 0 H2' A A 3 -7.146 -2.725 -1.097 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.385 -4.149 -1.446 1.00 0.00 H new ATOM 0 H1' A A 3 -7.694 -3.845 1.323 1.00 0.00 H new ATOM 0 H8 A A 3 -4.460 -5.173 -0.016 1.00 0.00 H new ATOM 0 H61 A A 3 -1.642 -0.314 2.414 1.00 0.00 H new ATOM 0 H62 A A 3 -1.426 -1.878 1.622 1.00 0.00 H new ATOM 0 H2 A A 3 -6.076 0.327 2.769 1.00 0.00 H new ATOM 100 P C A 4 -7.723 -4.167 -4.283 1.00 0.00 P ATOM 101 OP1 C A 4 -8.915 -4.258 -5.156 1.00 0.00 O ATOM 102 OP2 C A 4 -6.417 -4.680 -4.755 1.00 0.00 O ATOM 103 O5' C A 4 -7.524 -2.627 -3.846 1.00 0.00 O ATOM 104 C5' C A 4 -8.612 -1.869 -3.297 1.00 0.00 C ATOM 105 C4' C A 4 -8.128 -0.593 -2.605 1.00 0.00 C ATOM 106 O4' C A 4 -7.247 -0.873 -1.499 1.00 0.00 O ATOM 107 C3' C A 4 -7.339 0.274 -3.552 1.00 0.00 C ATOM 108 O3' C A 4 -8.193 1.139 -4.315 1.00 0.00 O ATOM 109 C2' C A 4 -6.406 1.041 -2.668 1.00 0.00 C ATOM 110 O2' C A 4 -6.928 2.333 -2.339 1.00 0.00 O ATOM 111 C1' C A 4 -6.256 0.186 -1.426 1.00 0.00 C ATOM 112 N1 C A 4 -4.883 -0.351 -1.338 1.00 0.00 N ATOM 113 C2 C A 4 -3.902 0.494 -0.846 1.00 0.00 C ATOM 114 O2 C A 4 -4.182 1.638 -0.512 1.00 0.00 O ATOM 115 N3 C A 4 -2.632 0.030 -0.755 1.00 0.00 N ATOM 116 C4 C A 4 -2.329 -1.212 -1.129 1.00 0.00 C ATOM 117 N4 C A 4 -1.070 -1.625 -1.018 1.00 0.00 N ATOM 118 C5 C A 4 -3.338 -2.095 -1.640 1.00 0.00 C ATOM 119 C6 C A 4 -4.596 -1.622 -1.728 1.00 0.00 C ATOM 0 H5' C A 4 -9.159 -2.484 -2.582 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.310 -1.608 -4.092 1.00 0.00 H new ATOM 0 H4' C A 4 -9.032 -0.093 -2.259 1.00 0.00 H new ATOM 0 H3' C A 4 -6.802 -0.312 -4.298 1.00 0.00 H new ATOM 0 H2' C A 4 -5.452 1.228 -3.161 1.00 0.00 H new ATOM 0 HO2' C A 4 -6.371 2.744 -1.645 1.00 0.00 H new ATOM 0 H1' C A 4 -6.421 0.775 -0.524 1.00 0.00 H new ATOM 0 H41 C A 4 -0.817 -2.572 -1.299 1.00 0.00 H new ATOM 0 H42 C A 4 -0.357 -0.994 -0.652 1.00 0.00 H new ATOM 0 H5 C A 4 -3.097 -3.103 -1.943 1.00 0.00 H new ATOM 0 H6 C A 4 -5.382 -2.256 -2.111 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.756 3.581 -3.582 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.491 3.636 -3.024 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.759 2.471 -3.066 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.161 1.270 -3.602 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.489 1.291 -4.166 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.237 2.424 -4.140 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.038 4.659 -2.513 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.413 0.300 -3.577 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.574 4.817 -3.561 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.560 5.509 -4.918 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.217 6.900 -4.782 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.950 5.340 -5.459 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.811 5.113 -4.236 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.380 6.493 -6.202 1.00 0.00 O HETATM 145 O4' U5P A 5 -4.957 4.521 -3.235 1.00 0.00 O HETATM 146 C5' U5P A 5 -7.003 4.215 -4.563 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.577 2.935 -5.051 1.00 0.00 O HETATM 148 P U5P A 5 -7.638 1.869 -5.640 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.756 2.619 -6.257 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.891 0.872 -6.440 1.00 0.00 O HETATM 0 HO3' U5P A 5 -6.288 6.345 -6.539 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.614 4.081 -3.671 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.631 4.700 -5.310 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.176 2.502 -2.659 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.238 2.414 -4.571 1.00 0.00 H new HETATM 0 H5 U5P A 5 -2.896 0.387 -4.618 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.232 6.050 -3.873 1.00 0.00 H new HETATM 0 H3' U5P A 5 -5.012 4.512 -6.165 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.814 5.081 -5.587 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.137 5.467 -2.803 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.733 4.562 -5.248 1.00 0.00 N HETATM 162 C2 U5P A 6 2.484 3.441 -4.943 1.00 0.00 C HETATM 163 N3 U5P A 6 1.945 2.234 -5.324 1.00 0.00 N HETATM 164 C4 U5P A 6 0.741 2.046 -5.973 1.00 0.00 C HETATM 165 C5 U5P A 6 0.024 3.270 -6.254 1.00 0.00 C HETATM 166 C6 U5P A 6 0.535 4.469 -5.889 1.00 0.00 C HETATM 167 O2 U5P A 6 3.569 3.508 -4.375 1.00 0.00 O HETATM 168 O4 U5P A 6 0.359 0.917 -6.262 1.00 0.00 O HETATM 169 C1' U5P A 6 2.249 5.879 -4.857 1.00 0.00 C HETATM 170 C2' U5P A 6 2.334 6.782 -6.068 1.00 0.00 C HETATM 171 O2' U5P A 6 3.653 6.771 -6.625 1.00 0.00 O HETATM 172 C3' U5P A 6 1.955 8.140 -5.572 1.00 0.00 C HETATM 173 C4' U5P A 6 1.172 7.900 -4.289 1.00 0.00 C HETATM 174 O3' U5P A 6 3.118 8.939 -5.329 1.00 0.00 O HETATM 175 O4' U5P A 6 1.339 6.509 -3.930 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.310 8.240 -4.484 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.895 7.486 -5.557 1.00 0.00 O HETATM 178 P U5P A 6 -2.447 7.687 -5.963 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.772 9.128 -5.852 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.682 6.973 -7.239 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.900 8.511 -5.737 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.853 8.039 -3.561 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.414 9.305 -4.690 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.487 1.398 -5.106 1.00 0.00 H new HETATM 0 H6 U5P A 6 -0.023 5.378 -6.112 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.938 3.227 -6.765 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.544 8.543 -3.492 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.362 8.687 -6.305 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.674 6.454 -6.871 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.231 5.735 -4.406 1.00 0.00 H new HETATM 191 P C5P A 7 4.143 5.528 -7.527 1.00 0.00 P HETATM 192 O1P C5P A 7 4.959 6.068 -8.636 1.00 0.00 O HETATM 193 O2P C5P A 7 2.970 4.674 -7.830 1.00 0.00 O HETATM 194 O5' C5P A 7 5.120 4.715 -6.534 1.00 0.00 O HETATM 195 C5' C5P A 7 5.669 3.452 -6.942 1.00 0.00 C HETATM 196 C4' C5P A 7 7.161 3.353 -6.624 1.00 0.00 C HETATM 197 O4' C5P A 7 7.822 4.573 -7.009 1.00 0.00 O HETATM 198 C3' C5P A 7 7.433 3.127 -5.138 1.00 0.00 C HETATM 199 O3' C5P A 7 8.222 1.947 -4.930 1.00 0.00 O HETATM 200 C2' C5P A 7 8.141 4.363 -4.653 1.00 0.00 C HETATM 201 O2' C5P A 7 9.285 4.029 -3.830 1.00 0.00 O HETATM 202 C1' C5P A 7 8.616 5.061 -5.911 1.00 0.00 C HETATM 203 N1 C5P A 7 8.436 6.518 -5.783 1.00 0.00 N HETATM 204 C2 C5P A 7 9.546 7.335 -5.958 1.00 0.00 C HETATM 205 N3 C5P A 7 9.376 8.680 -5.852 1.00 0.00 N HETATM 206 C4 C5P A 7 8.174 9.203 -5.588 1.00 0.00 C HETATM 207 C5 C5P A 7 7.027 8.367 -5.405 1.00 0.00 C HETATM 208 C6 C5P A 7 7.200 7.037 -5.510 1.00 0.00 C HETATM 209 O2 C5P A 7 10.646 6.844 -6.201 1.00 0.00 O HETATM 210 N4 C5P A 7 8.050 10.522 -5.494 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.013 1.564 -4.052 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.140 10.936 -5.293 1.00 0.00 H new HETATM 0 HN41 C5P A 7 8.865 11.121 -5.623 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 5.136 2.645 -6.440 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.516 3.318 -8.013 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.481 4.980 -4.043 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.350 6.368 -5.377 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.047 8.793 -5.188 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.541 2.497 -7.181 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.509 2.966 -4.583 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.674 4.858 -6.077 1.00 0.00 H new HETATM 222 P 5GP A 8 9.134 3.352 -2.372 1.00 0.00 P HETATM 223 O2P 5GP A 8 8.224 2.188 -2.499 1.00 0.00 O HETATM 224 O3P 5GP A 8 10.492 3.162 -1.809 1.00 0.00 O HETATM 225 O5' 5GP A 8 8.383 4.489 -1.512 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.090 5.636 -0.985 1.00 0.00 C HETATM 227 C4' 5GP A 8 8.237 6.417 0.001 1.00 0.00 C HETATM 228 O4' 5GP A 8 7.002 6.807 -0.620 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.891 5.557 1.205 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.784 5.810 2.297 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.487 5.945 1.553 1.00 0.00 C HETATM 232 O2' 5GP A 8 6.466 6.949 2.591 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.904 6.475 0.250 1.00 0.00 C HETATM 234 N9 5GP A 8 5.060 5.455 -0.386 1.00 0.00 N HETATM 235 C8 5GP A 8 5.374 4.186 -0.748 1.00 0.00 C HETATM 236 N7 5GP A 8 4.449 3.470 -1.277 1.00 0.00 N HETATM 237 C5 5GP A 8 3.372 4.360 -1.280 1.00 0.00 C HETATM 238 C6 5GP A 8 2.047 4.178 -1.737 1.00 0.00 C HETATM 239 O6 5GP A 8 1.544 3.178 -2.228 1.00 0.00 O HETATM 240 N1 5GP A 8 1.287 5.317 -1.559 1.00 0.00 N HETATM 241 C2 5GP A 8 1.737 6.493 -1.010 1.00 0.00 C HETATM 242 N2 5GP A 8 0.859 7.479 -0.927 1.00 0.00 N HETATM 243 N3 5GP A 8 2.980 6.679 -0.573 1.00 0.00 N HETATM 244 C4 5GP A 8 3.742 5.580 -0.736 1.00 0.00 C HETATM 0 HO3' 5GP A 8 8.362 6.430 2.928 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.136 8.376 -0.528 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.095 7.342 -1.262 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.005 5.305 -0.493 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.388 6.289 -1.806 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.313 5.282 -1.859 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.377 3.788 -0.595 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.807 7.292 0.314 1.00 0.00 H new HETATM 0 H3' 5GP A 8 7.983 4.492 0.990 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.911 5.108 1.947 1.00 0.00 H new HETATM 0 H1' 5GP A 8 5.287 7.352 0.446 1.00 0.00 H new ATOM 256 P G A 9 5.841 6.617 4.045 1.00 0.00 P ATOM 257 OP1 G A 9 6.277 7.669 4.993 1.00 0.00 O ATOM 258 OP2 G A 9 6.116 5.194 4.347 1.00 0.00 O ATOM 259 O5' G A 9 4.258 6.783 3.790 1.00 0.00 O ATOM 260 C5' G A 9 3.666 8.093 3.706 1.00 0.00 C ATOM 261 C4' G A 9 2.198 8.063 3.317 1.00 0.00 C ATOM 262 O4' G A 9 1.997 7.502 2.002 1.00 0.00 O ATOM 263 C3' G A 9 1.391 7.207 4.262 1.00 0.00 C ATOM 264 O3' G A 9 0.955 7.927 5.421 1.00 0.00 O ATOM 265 C2' G A 9 0.236 6.750 3.428 1.00 0.00 C ATOM 266 O2' G A 9 -0.879 7.644 3.548 1.00 0.00 O ATOM 267 C1' G A 9 0.765 6.734 2.010 1.00 0.00 C ATOM 268 N9 G A 9 0.982 5.342 1.572 1.00 0.00 N ATOM 269 C8 G A 9 2.117 4.598 1.539 1.00 0.00 C ATOM 270 N7 G A 9 2.015 3.375 1.128 1.00 0.00 N ATOM 271 C5 G A 9 0.643 3.282 0.847 1.00 0.00 C ATOM 272 C6 G A 9 -0.126 2.188 0.353 1.00 0.00 C ATOM 273 O6 G A 9 0.248 1.054 0.052 1.00 0.00 O ATOM 274 N1 G A 9 -1.462 2.530 0.219 1.00 0.00 N ATOM 275 C2 G A 9 -2.000 3.762 0.518 1.00 0.00 C ATOM 276 N2 G A 9 -3.300 3.903 0.329 1.00 0.00 N ATOM 277 N3 G A 9 -1.294 4.787 0.976 1.00 0.00 N ATOM 278 C4 G A 9 0.012 4.486 1.118 1.00 0.00 C ATOM 0 H5' G A 9 4.216 8.687 2.976 1.00 0.00 H new ATOM 0 H5'' G A 9 3.770 8.594 4.669 1.00 0.00 H new ATOM 0 H4' G A 9 1.873 9.103 3.349 1.00 0.00 H new ATOM 0 H3' G A 9 1.976 6.381 4.667 1.00 0.00 H new ATOM 0 H2' G A 9 -0.130 5.773 3.743 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.617 8.424 4.080 1.00 0.00 H new ATOM 0 H1' G A 9 0.055 7.178 1.313 1.00 0.00 H new ATOM 0 H8 G A 9 3.068 5.010 1.844 1.00 0.00 H new ATOM 0 H1 G A 9 -2.098 1.812 -0.129 1.00 0.00 H new ATOM 0 H21 G A 9 -3.751 4.794 0.534 1.00 0.00 H new ATOM 0 H22 G A 9 -3.852 3.120 -0.022 1.00 0.00 H new ATOM 290 P U A 10 0.293 7.126 6.651 1.00 0.00 P ATOM 291 OP1 U A 10 0.100 8.072 7.771 1.00 0.00 O ATOM 292 OP2 U A 10 1.062 5.878 6.865 1.00 0.00 O ATOM 293 O5' U A 10 -1.158 6.723 6.066 1.00 0.00 O ATOM 294 C5' U A 10 -2.286 7.596 6.223 1.00 0.00 C ATOM 295 C4' U A 10 -3.605 6.857 6.005 1.00 0.00 C ATOM 296 O4' U A 10 -3.670 6.256 4.690 1.00 0.00 O ATOM 297 C3' U A 10 -3.771 5.729 7.000 1.00 0.00 C ATOM 298 O3' U A 10 -4.422 6.164 8.206 1.00 0.00 O ATOM 299 C2' U A 10 -4.583 4.711 6.260 1.00 0.00 C ATOM 300 O2' U A 10 -5.986 4.889 6.491 1.00 0.00 O ATOM 301 C1' U A 10 -4.242 4.925 4.805 1.00 0.00 C ATOM 302 N1 U A 10 -3.291 3.882 4.347 1.00 0.00 N ATOM 303 C2 U A 10 -3.822 2.731 3.789 1.00 0.00 C ATOM 304 O2 U A 10 -5.030 2.553 3.670 1.00 0.00 O ATOM 305 N3 U A 10 -2.915 1.781 3.380 1.00 0.00 N ATOM 306 C4 U A 10 -1.543 1.866 3.473 1.00 0.00 C ATOM 307 O4 U A 10 -0.833 0.955 3.066 1.00 0.00 O ATOM 308 C5 U A 10 -1.067 3.088 4.067 1.00 0.00 C ATOM 309 C6 U A 10 -1.936 4.048 4.479 1.00 0.00 C ATOM 0 H5' U A 10 -2.209 8.421 5.515 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.273 8.031 7.222 1.00 0.00 H new ATOM 0 H4' U A 10 -4.389 7.605 6.125 1.00 0.00 H new ATOM 0 H3' U A 10 -2.814 5.331 7.338 1.00 0.00 H new ATOM 0 H2' U A 10 -4.357 3.697 6.591 1.00 0.00 H new ATOM 0 HO2' U A 10 -6.435 4.018 6.466 1.00 0.00 H new ATOM 0 H1' U A 10 -5.127 4.847 4.174 1.00 0.00 H new ATOM 0 H3 U A 10 -3.296 0.930 2.967 1.00 0.00 H new ATOM 0 H5 U A 10 -0.005 3.244 4.187 1.00 0.00 H new ATOM 0 H6 U A 10 -1.553 4.957 4.918 1.00 0.00 H new ATOM 320 P C A 11 -4.116 5.425 9.608 1.00 0.00 P ATOM 321 OP1 C A 11 -4.738 6.215 10.694 1.00 0.00 O ATOM 322 OP2 C A 11 -2.669 5.114 9.658 1.00 0.00 O ATOM 323 O5' C A 11 -4.920 4.029 9.468 1.00 0.00 O ATOM 324 C5' C A 11 -6.351 4.010 9.345 1.00 0.00 C ATOM 325 C4' C A 11 -6.845 2.764 8.605 1.00 0.00 C ATOM 326 O4' C A 11 -6.122 2.585 7.368 1.00 0.00 O ATOM 327 C3' C A 11 -6.638 1.496 9.418 1.00 0.00 C ATOM 328 O3' C A 11 -7.794 1.170 10.213 1.00 0.00 O ATOM 329 C2' C A 11 -6.370 0.437 8.387 1.00 0.00 C ATOM 330 O2' C A 11 -7.570 -0.261 8.030 1.00 0.00 O ATOM 331 C1' C A 11 -5.825 1.178 7.189 1.00 0.00 C ATOM 332 N1 C A 11 -4.374 0.927 7.052 1.00 0.00 N ATOM 333 C2 C A 11 -4.002 -0.221 6.378 1.00 0.00 C ATOM 334 O2 C A 11 -4.854 -0.999 5.965 1.00 0.00 O ATOM 335 N3 C A 11 -2.683 -0.472 6.203 1.00 0.00 N ATOM 336 C4 C A 11 -1.759 0.364 6.667 1.00 0.00 C ATOM 337 N4 C A 11 -0.479 0.082 6.456 1.00 0.00 N ATOM 338 C5 C A 11 -2.127 1.554 7.373 1.00 0.00 C ATOM 339 C6 C A 11 -3.442 1.795 7.544 1.00 0.00 C ATOM 0 H5' C A 11 -6.681 4.902 8.814 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.801 4.045 10.337 1.00 0.00 H new ATOM 0 H4' C A 11 -7.908 2.924 8.426 1.00 0.00 H new ATOM 0 H3' C A 11 -5.824 1.600 10.135 1.00 0.00 H new ATOM 0 H2' C A 11 -5.676 -0.314 8.764 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.347 -1.175 7.755 1.00 0.00 H new ATOM 0 H1' C A 11 -6.290 0.830 6.267 1.00 0.00 H new ATOM 0 H41 C A 11 0.246 0.710 6.804 1.00 0.00 H new ATOM 0 H42 C A 11 -0.220 -0.763 5.946 1.00 0.00 H new ATOM 0 H5 C A 11 -1.379 2.233 7.754 1.00 0.00 H new ATOM 0 H6 C A 11 -3.761 2.681 8.074 1.00 0.00 H new ATOM 351 P C A 12 -7.726 0.001 11.332 1.00 0.00 P ATOM 352 OP1 C A 12 -8.987 0.030 12.106 1.00 0.00 O ATOM 353 OP2 C A 12 -6.429 0.111 12.038 1.00 0.00 O ATOM 354 O5' C A 12 -7.704 -1.358 10.458 1.00 0.00 O ATOM 355 C5' C A 12 -8.873 -1.799 9.749 1.00 0.00 C ATOM 356 C4' C A 12 -8.578 -3.024 8.883 1.00 0.00 C ATOM 357 O4' C A 12 -7.467 -2.781 7.991 1.00 0.00 O ATOM 358 C3' C A 12 -8.205 -4.222 9.735 1.00 0.00 C ATOM 359 O3' C A 12 -9.349 -5.026 10.045 1.00 0.00 O ATOM 360 C2' C A 12 -7.213 -4.981 8.912 1.00 0.00 C ATOM 361 O2' C A 12 -7.863 -6.008 8.147 1.00 0.00 O ATOM 362 C1' C A 12 -6.590 -3.938 7.995 1.00 0.00 C ATOM 363 N1 C A 12 -5.237 -3.570 8.465 1.00 0.00 N ATOM 364 C2 C A 12 -4.160 -4.310 7.993 1.00 0.00 C ATOM 365 O2 C A 12 -4.338 -5.235 7.205 1.00 0.00 O ATOM 366 N3 C A 12 -2.913 -3.982 8.428 1.00 0.00 N ATOM 367 C4 C A 12 -2.728 -2.975 9.287 1.00 0.00 C ATOM 368 N4 C A 12 -1.496 -2.691 9.696 1.00 0.00 N ATOM 369 C5 C A 12 -3.832 -2.209 9.774 1.00 0.00 C ATOM 370 C6 C A 12 -5.062 -2.539 9.340 1.00 0.00 C ATOM 0 H5' C A 12 -9.245 -0.990 9.121 1.00 0.00 H new ATOM 0 H5'' C A 12 -9.663 -2.038 10.461 1.00 0.00 H new ATOM 0 H4' C A 12 -9.488 -3.223 8.317 1.00 0.00 H new ATOM 0 H3' C A 12 -7.794 -3.922 10.699 1.00 0.00 H new ATOM 0 H2' C A 12 -6.468 -5.484 9.529 1.00 0.00 H new ATOM 0 HO2' C A 12 -8.784 -6.117 8.463 1.00 0.00 H new ATOM 0 HO3' C A 12 -9.073 -5.790 10.593 1.00 0.00 H new ATOM 0 H1' C A 12 -6.482 -4.335 6.986 1.00 0.00 H new ATOM 0 H41 C A 12 -1.340 -1.925 10.351 1.00 0.00 H new ATOM 0 H42 C A 12 -0.706 -3.239 9.355 1.00 0.00 H new ATOM 0 H5 C A 12 -3.684 -1.393 10.466 1.00 0.00 H new ATOM 0 H6 C A 12 -5.919 -1.982 9.688 1.00 0.00 H new TER 383 C A 12