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 -3:sc= -1.03 USER MOD Single : A 1 G O5' : rot 28:sc= 0.213 USER MOD Single : A 2 G O2' : rot -145:sc= 0.145 USER MOD Single : A 3 A O2' : rot -7:sc= -0.301 USER MOD Single : A 4 C O2' : rot 171:sc= -0.917 USER MOD Single : A 5 U5P O3' : rot -37:sc= 0.153 USER MOD Single : A 6 U5P O3' : rot 11:sc= 0.376 USER MOD Single : A 7 C5P O3' : rot -159:sc= 0.969 USER MOD Single : A 8 5GP O3' : rot 94:sc= 0.347 USER MOD Single : A 9 G O2' : rot -16:sc= 0.219 USER MOD Single : A 10 U O2' : rot -124:sc= 0.207 USER MOD Single : A 11 C O2' : rot 180:sc= -1.76 USER MOD Single : A 12 C O2' : rot -17:sc= 0.313 USER MOD Single : A 12 C O3' : rot 180:sc= 0.285 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.537 -6.489 2.380 1.00 0.00 O ATOM 2 C5' G A 1 5.783 -7.885 2.134 1.00 0.00 C ATOM 3 C4' G A 1 4.630 -8.774 2.574 1.00 0.00 C ATOM 4 O4' G A 1 4.422 -8.712 4.005 1.00 0.00 O ATOM 5 C3' G A 1 3.335 -8.336 1.923 1.00 0.00 C ATOM 6 O3' G A 1 3.103 -9.036 0.691 1.00 0.00 O ATOM 7 C2' G A 1 2.287 -8.651 2.946 1.00 0.00 C ATOM 8 O2' G A 1 1.785 -9.981 2.758 1.00 0.00 O ATOM 9 C1' G A 1 3.007 -8.535 4.275 1.00 0.00 C ATOM 10 N9 G A 1 2.781 -7.222 4.912 1.00 0.00 N ATOM 11 C8 G A 1 3.677 -6.247 5.185 1.00 0.00 C ATOM 12 N7 G A 1 3.254 -5.192 5.786 1.00 0.00 N ATOM 13 C5 G A 1 1.894 -5.479 5.942 1.00 0.00 C ATOM 14 C6 G A 1 0.865 -4.707 6.538 1.00 0.00 C ATOM 15 O6 G A 1 0.944 -3.601 7.064 1.00 0.00 O ATOM 16 N1 G A 1 -0.352 -5.358 6.485 1.00 0.00 N ATOM 17 C2 G A 1 -0.567 -6.597 5.932 1.00 0.00 C ATOM 18 N2 G A 1 -1.813 -7.046 5.976 1.00 0.00 N ATOM 19 N3 G A 1 0.389 -7.339 5.370 1.00 0.00 N ATOM 20 C4 G A 1 1.593 -6.724 5.406 1.00 0.00 C ATOM 0 H5' G A 1 6.689 -8.187 2.659 1.00 0.00 H new ATOM 0 H5'' G A 1 5.966 -8.035 1.070 1.00 0.00 H new ATOM 0 H4' G A 1 4.896 -9.788 2.276 1.00 0.00 H new ATOM 0 H3' G A 1 3.341 -7.281 1.651 1.00 0.00 H new ATOM 0 H2' G A 1 1.428 -7.983 2.881 1.00 0.00 H new ATOM 0 HO2' G A 1 2.200 -10.378 1.964 1.00 0.00 H new ATOM 0 HO5' G A 1 4.930 -6.393 3.144 1.00 0.00 H new ATOM 0 H1' G A 1 2.628 -9.289 4.965 1.00 0.00 H new ATOM 0 H8 G A 1 4.715 -6.351 4.907 1.00 0.00 H new ATOM 0 H1 G A 1 -1.157 -4.880 6.890 1.00 0.00 H new ATOM 0 H21 G A 1 -2.040 -7.959 5.583 1.00 0.00 H new ATOM 0 H22 G A 1 -2.545 -6.478 6.403 1.00 0.00 H new ATOM 33 P G A 2 2.368 -8.298 -0.539 1.00 0.00 P ATOM 34 OP1 G A 2 2.193 -9.284 -1.628 1.00 0.00 O ATOM 35 OP2 G A 2 3.072 -7.024 -0.801 1.00 0.00 O ATOM 36 O5' G A 2 0.922 -7.960 0.078 1.00 0.00 O ATOM 37 C5' G A 2 -0.005 -9.017 0.385 1.00 0.00 C ATOM 38 C4' G A 2 -1.247 -8.520 1.097 1.00 0.00 C ATOM 39 O4' G A 2 -0.943 -7.954 2.383 1.00 0.00 O ATOM 40 C3' G A 2 -1.924 -7.430 0.305 1.00 0.00 C ATOM 41 O3' G A 2 -2.833 -7.984 -0.657 1.00 0.00 O ATOM 42 C2' G A 2 -2.616 -6.593 1.337 1.00 0.00 C ATOM 43 O2' G A 2 -3.996 -6.966 1.472 1.00 0.00 O ATOM 44 C1' G A 2 -1.851 -6.854 2.626 1.00 0.00 C ATOM 45 N9 G A 2 -1.130 -5.647 3.072 1.00 0.00 N ATOM 46 C8 G A 2 0.188 -5.348 3.017 1.00 0.00 C ATOM 47 N7 G A 2 0.566 -4.212 3.504 1.00 0.00 N ATOM 48 C5 G A 2 -0.651 -3.674 3.942 1.00 0.00 C ATOM 49 C6 G A 2 -0.938 -2.432 4.579 1.00 0.00 C ATOM 50 O6 G A 2 -0.164 -1.532 4.903 1.00 0.00 O ATOM 51 N1 G A 2 -2.289 -2.300 4.840 1.00 0.00 N ATOM 52 C2 G A 2 -3.251 -3.239 4.534 1.00 0.00 C ATOM 53 N2 G A 2 -4.495 -2.937 4.852 1.00 0.00 N ATOM 54 N3 G A 2 -2.997 -4.396 3.945 1.00 0.00 N ATOM 55 C4 G A 2 -1.689 -4.553 3.676 1.00 0.00 C ATOM 0 H5' G A 2 0.492 -9.761 1.008 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.297 -9.518 -0.538 1.00 0.00 H new ATOM 0 H4' G A 2 -1.891 -9.392 1.208 1.00 0.00 H new ATOM 0 H3' G A 2 -1.225 -6.835 -0.283 1.00 0.00 H new ATOM 0 H2' G A 2 -2.620 -5.537 1.068 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.534 -6.168 1.657 1.00 0.00 H new ATOM 0 H1' G A 2 -2.542 -7.113 3.429 1.00 0.00 H new ATOM 0 H8 G A 2 0.899 -6.034 2.582 1.00 0.00 H new ATOM 0 H1 G A 2 -2.598 -1.441 5.294 1.00 0.00 H new ATOM 0 H21 G A 2 -5.247 -3.595 4.649 1.00 0.00 H new ATOM 0 H22 G A 2 -4.704 -2.046 5.301 1.00 0.00 H new ATOM 67 P A A 3 -3.517 -7.059 -1.778 1.00 0.00 P ATOM 68 OP1 A A 3 -4.032 -7.940 -2.850 1.00 0.00 O ATOM 69 OP2 A A 3 -2.591 -5.951 -2.111 1.00 0.00 O ATOM 70 O5' A A 3 -4.771 -6.440 -0.975 1.00 0.00 O ATOM 71 C5' A A 3 -6.034 -7.123 -0.933 1.00 0.00 C ATOM 72 C4' A A 3 -7.164 -6.169 -0.556 1.00 0.00 C ATOM 73 O4' A A 3 -7.000 -5.671 0.793 1.00 0.00 O ATOM 74 C3' A A 3 -7.157 -4.963 -1.471 1.00 0.00 C ATOM 75 O3' A A 3 -8.009 -5.151 -2.610 1.00 0.00 O ATOM 76 C2' A A 3 -7.623 -3.841 -0.598 1.00 0.00 C ATOM 77 O2' A A 3 -9.051 -3.732 -0.625 1.00 0.00 O ATOM 78 C1' A A 3 -7.137 -4.227 0.784 1.00 0.00 C ATOM 79 N9 A A 3 -5.834 -3.610 1.060 1.00 0.00 N ATOM 80 C8 A A 3 -4.598 -4.121 0.869 1.00 0.00 C ATOM 81 N7 A A 3 -3.594 -3.388 1.184 1.00 0.00 N ATOM 82 C5 A A 3 -4.227 -2.232 1.647 1.00 0.00 C ATOM 83 C6 A A 3 -3.734 -1.032 2.144 1.00 0.00 C ATOM 84 N6 A A 3 -2.440 -0.790 2.266 1.00 0.00 N ATOM 85 N1 A A 3 -4.623 -0.094 2.514 1.00 0.00 N ATOM 86 C2 A A 3 -5.935 -0.332 2.398 1.00 0.00 C ATOM 87 N3 A A 3 -6.513 -1.441 1.936 1.00 0.00 N ATOM 88 C4 A A 3 -5.593 -2.357 1.575 1.00 0.00 C ATOM 0 H5' A A 3 -5.986 -7.938 -0.211 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.241 -7.570 -1.905 1.00 0.00 H new ATOM 0 H4' A A 3 -8.095 -6.728 -0.643 1.00 0.00 H new ATOM 0 H3' A A 3 -6.172 -4.771 -1.897 1.00 0.00 H new ATOM 0 H2' A A 3 -7.243 -2.872 -0.921 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.413 -4.343 -1.300 1.00 0.00 H new ATOM 0 H1' A A 3 -7.839 -3.887 1.546 1.00 0.00 H new ATOM 0 H8 A A 3 -4.460 -5.113 0.465 1.00 0.00 H new ATOM 0 H61 A A 3 -2.121 0.106 2.636 1.00 0.00 H new ATOM 0 H62 A A 3 -1.760 -1.499 1.990 1.00 0.00 H new ATOM 0 H2 A A 3 -6.598 0.461 2.713 1.00 0.00 H new ATOM 100 P C A 4 -7.525 -4.646 -4.064 1.00 0.00 P ATOM 101 OP1 C A 4 -8.603 -4.930 -5.037 1.00 0.00 O ATOM 102 OP2 C A 4 -6.156 -5.160 -4.302 1.00 0.00 O ATOM 103 O5' C A 4 -7.430 -3.048 -3.854 1.00 0.00 O ATOM 104 C5' C A 4 -8.588 -2.284 -3.484 1.00 0.00 C ATOM 105 C4' C A 4 -8.214 -0.939 -2.855 1.00 0.00 C ATOM 106 O4' C A 4 -7.418 -1.104 -1.667 1.00 0.00 O ATOM 107 C3' C A 4 -7.387 -0.100 -3.800 1.00 0.00 C ATOM 108 O3' C A 4 -8.218 0.697 -4.661 1.00 0.00 O ATOM 109 C2' C A 4 -6.536 0.746 -2.903 1.00 0.00 C ATOM 110 O2' C A 4 -7.111 2.041 -2.697 1.00 0.00 O ATOM 111 C1' C A 4 -6.455 -0.019 -1.600 1.00 0.00 C ATOM 112 N1 C A 4 -5.085 -0.521 -1.380 1.00 0.00 N ATOM 113 C2 C A 4 -4.153 0.373 -0.875 1.00 0.00 C ATOM 114 O2 C A 4 -4.469 1.536 -0.644 1.00 0.00 O ATOM 115 N3 C A 4 -2.890 -0.064 -0.654 1.00 0.00 N ATOM 116 C4 C A 4 -2.546 -1.324 -0.914 1.00 0.00 C ATOM 117 N4 C A 4 -1.297 -1.707 -0.676 1.00 0.00 N ATOM 118 C5 C A 4 -3.501 -2.257 -1.439 1.00 0.00 C ATOM 119 C6 C A 4 -4.755 -1.811 -1.656 1.00 0.00 C ATOM 0 H5' C A 4 -9.191 -2.858 -2.780 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.205 -2.112 -4.366 1.00 0.00 H new ATOM 0 H4' C A 4 -9.162 -0.455 -2.621 1.00 0.00 H new ATOM 0 H3' C A 4 -6.785 -0.708 -4.475 1.00 0.00 H new ATOM 0 H2' C A 4 -5.553 0.924 -3.339 1.00 0.00 H new ATOM 0 HO2' C A 4 -6.613 2.512 -1.997 1.00 0.00 H new ATOM 0 H1' C A 4 -6.691 0.629 -0.756 1.00 0.00 H new ATOM 0 H41 C A 4 -1.013 -2.668 -0.868 1.00 0.00 H new ATOM 0 H42 C A 4 -0.622 -1.041 -0.301 1.00 0.00 H new ATOM 0 H5 C A 4 -3.226 -3.279 -1.653 1.00 0.00 H new ATOM 0 H6 C A 4 -5.502 -2.483 -2.052 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.975 3.366 -3.742 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.762 3.414 -3.075 1.00 0.00 C HETATM 133 N3 U5P A 5 -1.034 2.246 -3.060 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.390 1.051 -3.638 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.664 1.078 -4.314 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.410 2.212 -4.345 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.352 4.432 -2.521 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.651 0.078 -3.554 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.786 4.605 -3.790 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.716 5.254 -5.167 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.412 6.658 -5.064 1.00 0.00 O HETATM 142 C3' U5P A 5 -5.071 5.040 -5.770 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.994 4.834 -4.587 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.481 6.164 -6.561 1.00 0.00 O HETATM 145 O4' U5P A 5 -5.181 4.323 -3.509 1.00 0.00 O HETATM 146 C5' U5P A 5 -7.133 3.875 -4.937 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.635 2.573 -5.284 1.00 0.00 O HETATM 148 P U5P A 5 -7.598 1.453 -5.945 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.701 2.145 -6.649 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.746 0.492 -6.681 1.00 0.00 O HETATM 0 HO3' U5P A 5 -5.176 6.992 -6.135 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.814 3.792 -4.090 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.708 4.280 -5.770 1.00 0.00 H new HETATM 0 HN3 U5P A 5 -0.140 2.270 -2.570 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.372 2.206 -4.858 1.00 0.00 H new HETATM 0 H5 U5P A 5 -3.032 0.178 -4.806 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.468 5.771 -4.295 1.00 0.00 H new HETATM 0 H3' U5P A 5 -5.081 4.189 -6.451 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.926 4.820 -5.779 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.376 5.278 -3.036 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.631 4.214 -5.107 1.00 0.00 N HETATM 162 C2 U5P A 6 2.367 3.093 -4.772 1.00 0.00 C HETATM 163 N3 U5P A 6 1.868 1.891 -5.218 1.00 0.00 N HETATM 164 C4 U5P A 6 0.717 1.709 -5.958 1.00 0.00 C HETATM 165 C5 U5P A 6 0.013 2.934 -6.265 1.00 0.00 C HETATM 166 C6 U5P A 6 0.485 4.128 -5.837 1.00 0.00 C HETATM 167 O2 U5P A 6 3.404 3.154 -4.120 1.00 0.00 O HETATM 168 O4 U5P A 6 0.366 0.584 -6.297 1.00 0.00 O HETATM 169 C1' U5P A 6 2.103 5.524 -4.648 1.00 0.00 C HETATM 170 C2' U5P A 6 2.290 6.451 -5.828 1.00 0.00 C HETATM 171 O2' U5P A 6 3.655 6.464 -6.260 1.00 0.00 O HETATM 172 C3' U5P A 6 1.854 7.796 -5.344 1.00 0.00 C HETATM 173 C4' U5P A 6 0.963 7.527 -4.141 1.00 0.00 C HETATM 174 O3' U5P A 6 2.982 8.597 -4.980 1.00 0.00 O HETATM 175 O4' U5P A 6 1.107 6.131 -3.797 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.496 7.869 -4.455 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.991 7.124 -5.580 1.00 0.00 O HETATM 178 P U5P A 6 -2.475 7.391 -6.159 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.743 8.845 -6.096 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.604 6.671 -7.446 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.805 8.159 -5.281 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -1.114 7.661 -3.581 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.583 8.936 -4.660 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.400 1.054 -4.979 1.00 0.00 H new HETATM 0 H6 U5P A 6 -0.063 5.038 -6.081 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.908 2.895 -6.847 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.260 8.155 -3.301 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.324 8.351 -6.118 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.710 6.132 -6.694 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.042 5.376 -4.115 1.00 0.00 H new HETATM 191 P C5P A 7 4.237 5.255 -7.152 1.00 0.00 P HETATM 192 O1P C5P A 7 5.155 5.835 -8.156 1.00 0.00 O HETATM 193 O2P C5P A 7 3.102 4.411 -7.597 1.00 0.00 O HETATM 194 O5' C5P A 7 5.115 4.408 -6.099 1.00 0.00 O HETATM 195 C5' C5P A 7 5.727 3.177 -6.509 1.00 0.00 C HETATM 196 C4' C5P A 7 7.176 3.075 -6.034 1.00 0.00 C HETATM 197 O4' C5P A 7 7.851 4.334 -6.228 1.00 0.00 O HETATM 198 C3' C5P A 7 7.294 2.707 -4.555 1.00 0.00 C HETATM 199 O3' C5P A 7 8.031 1.489 -4.380 1.00 0.00 O HETATM 200 C2' C5P A 7 7.972 3.875 -3.891 1.00 0.00 C HETATM 201 O2' C5P A 7 9.042 3.440 -3.020 1.00 0.00 O HETATM 202 C1' C5P A 7 8.557 4.690 -5.024 1.00 0.00 C HETATM 203 N1 C5P A 7 8.383 6.128 -4.747 1.00 0.00 N HETATM 204 C2 C5P A 7 9.513 6.935 -4.717 1.00 0.00 C HETATM 205 N3 C5P A 7 9.348 8.260 -4.453 1.00 0.00 N HETATM 206 C4 C5P A 7 8.133 8.770 -4.228 1.00 0.00 C HETATM 207 C5 C5P A 7 6.966 7.945 -4.259 1.00 0.00 C HETATM 208 C6 C5P A 7 7.133 6.637 -4.520 1.00 0.00 C HETATM 209 O2 C5P A 7 10.625 6.456 -4.924 1.00 0.00 O HETATM 210 N4 C5P A 7 8.014 10.069 -3.971 1.00 0.00 N HETATM 0 HO3' C5P A 7 7.817 1.100 -3.507 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.093 10.472 -3.797 1.00 0.00 H new HETATM 0 HN41 C5P A 7 8.843 10.662 -3.948 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 5.155 2.338 -6.113 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.695 3.100 -7.596 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.267 4.436 -3.278 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.266 5.977 -4.551 1.00 0.00 H new HETATM 0 H5 C5P A 7 5.975 8.362 -4.077 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.633 2.282 -6.626 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.316 2.522 -4.110 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.623 4.487 -5.132 1.00 0.00 H new HETATM 222 P 5GP A 8 8.769 2.650 -1.641 1.00 0.00 P HETATM 223 O2P 5GP A 8 7.800 1.562 -1.918 1.00 0.00 O HETATM 224 O3P 5GP A 8 10.078 2.328 -1.027 1.00 0.00 O HETATM 225 O5' 5GP A 8 8.042 3.758 -0.725 1.00 0.00 O HETATM 226 C5' 5GP A 8 8.754 4.913 -0.224 1.00 0.00 C HETATM 227 C4' 5GP A 8 7.853 5.812 0.602 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.720 6.221 -0.180 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.325 5.065 1.815 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.109 5.349 2.980 1.00 0.00 O HETATM 231 C2' 5GP A 8 5.918 5.551 1.974 1.00 0.00 C HETATM 232 O2' 5GP A 8 5.843 6.633 2.926 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.515 6.011 0.580 1.00 0.00 C HETATM 234 N9 5GP A 8 4.693 4.989 -0.077 1.00 0.00 N HETATM 235 C8 5GP A 8 4.994 3.698 -0.355 1.00 0.00 C HETATM 236 N7 5GP A 8 4.092 2.984 -0.922 1.00 0.00 N HETATM 237 C5 5GP A 8 3.047 3.903 -1.051 1.00 0.00 C HETATM 238 C6 5GP A 8 1.759 3.737 -1.603 1.00 0.00 C HETATM 239 O6 5GP A 8 1.264 2.729 -2.087 1.00 0.00 O HETATM 240 N1 5GP A 8 1.025 4.904 -1.538 1.00 0.00 N HETATM 241 C2 5GP A 8 1.468 6.090 -1.009 1.00 0.00 C HETATM 242 N2 5GP A 8 0.616 7.101 -1.042 1.00 0.00 N HETATM 243 N3 5GP A 8 2.676 6.263 -0.484 1.00 0.00 N HETATM 244 C4 5GP A 8 3.413 5.135 -0.536 1.00 0.00 C HETATM 0 HO3' 5GP A 8 7.703 6.092 3.474 1.00 0.00 H new HETATM 0 HN22 5GP A 8 0.887 8.009 -0.664 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.312 6.973 -1.446 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 9.597 4.585 0.384 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.165 5.479 -1.060 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.077 4.883 -1.913 1.00 0.00 H new HETATM 0 H8 5GP A 8 5.969 3.280 -0.105 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.439 6.676 0.916 1.00 0.00 H new HETATM 0 H3' 5GP A 8 7.373 3.984 1.686 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.255 4.777 2.360 1.00 0.00 H new HETATM 0 H1' 5GP A 8 4.932 6.930 0.645 1.00 0.00 H new ATOM 256 P G A 9 5.047 6.458 4.326 1.00 0.00 P ATOM 257 OP1 G A 9 5.504 7.522 5.251 1.00 0.00 O ATOM 258 OP2 G A 9 5.135 5.039 4.735 1.00 0.00 O ATOM 259 O5' G A 9 3.518 6.765 3.907 1.00 0.00 O ATOM 260 C5' G A 9 3.071 8.122 3.714 1.00 0.00 C ATOM 261 C4' G A 9 1.642 8.221 3.200 1.00 0.00 C ATOM 262 O4' G A 9 1.491 7.633 1.886 1.00 0.00 O ATOM 263 C3' G A 9 0.677 7.485 4.098 1.00 0.00 C ATOM 264 O3' G A 9 0.220 8.290 5.190 1.00 0.00 O ATOM 265 C2' G A 9 -0.441 7.111 3.180 1.00 0.00 C ATOM 266 O2' G A 9 -1.420 8.156 3.112 1.00 0.00 O ATOM 267 C1' G A 9 0.225 6.916 1.839 1.00 0.00 C ATOM 268 N9 G A 9 0.434 5.478 1.561 1.00 0.00 N ATOM 269 C8 G A 9 1.554 4.722 1.685 1.00 0.00 C ATOM 270 N7 G A 9 1.473 3.474 1.360 1.00 0.00 N ATOM 271 C5 G A 9 0.131 3.366 0.967 1.00 0.00 C ATOM 272 C6 G A 9 -0.603 2.239 0.492 1.00 0.00 C ATOM 273 O6 G A 9 -0.214 1.085 0.307 1.00 0.00 O ATOM 274 N1 G A 9 -1.917 2.573 0.216 1.00 0.00 N ATOM 275 C2 G A 9 -2.469 3.825 0.370 1.00 0.00 C ATOM 276 N2 G A 9 -3.747 3.947 0.056 1.00 0.00 N ATOM 277 N3 G A 9 -1.796 4.886 0.810 1.00 0.00 N ATOM 278 C4 G A 9 -0.509 4.593 1.090 1.00 0.00 C ATOM 0 H5' G A 9 3.738 8.619 3.010 1.00 0.00 H new ATOM 0 H5'' G A 9 3.147 8.660 4.659 1.00 0.00 H new ATOM 0 H4' G A 9 1.424 9.289 3.172 1.00 0.00 H new ATOM 0 H3' G A 9 1.139 6.623 4.579 1.00 0.00 H new ATOM 0 H2' G A 9 -0.972 6.220 3.517 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.287 8.777 3.858 1.00 0.00 H new ATOM 0 H1' G A 9 -0.401 7.301 1.034 1.00 0.00 H new ATOM 0 H8 G A 9 2.480 5.148 2.042 1.00 0.00 H new ATOM 0 H1 G A 9 -2.526 1.832 -0.130 1.00 0.00 H new ATOM 0 H21 G A 9 -4.211 4.850 0.149 1.00 0.00 H new ATOM 0 H22 G A 9 -4.269 3.138 -0.280 1.00 0.00 H new ATOM 290 P U A 10 -0.392 7.578 6.499 1.00 0.00 P ATOM 291 OP1 U A 10 -0.589 8.611 7.540 1.00 0.00 O ATOM 292 OP2 U A 10 0.421 6.377 6.797 1.00 0.00 O ATOM 293 O5' U A 10 -1.842 7.089 5.984 1.00 0.00 O ATOM 294 C5' U A 10 -2.969 7.974 6.046 1.00 0.00 C ATOM 295 C4' U A 10 -4.293 7.234 5.867 1.00 0.00 C ATOM 296 O4' U A 10 -4.421 6.660 4.542 1.00 0.00 O ATOM 297 C3' U A 10 -4.417 6.080 6.839 1.00 0.00 C ATOM 298 O3' U A 10 -4.962 6.477 8.106 1.00 0.00 O ATOM 299 C2' U A 10 -5.313 5.125 6.127 1.00 0.00 C ATOM 300 O2' U A 10 -6.690 5.439 6.378 1.00 0.00 O ATOM 301 C1' U A 10 -4.966 5.319 4.667 1.00 0.00 C ATOM 302 N1 U A 10 -3.979 4.301 4.249 1.00 0.00 N ATOM 303 C2 U A 10 -4.462 3.097 3.763 1.00 0.00 C ATOM 304 O2 U A 10 -5.662 2.871 3.630 1.00 0.00 O ATOM 305 N3 U A 10 -3.516 2.157 3.434 1.00 0.00 N ATOM 306 C4 U A 10 -2.149 2.300 3.541 1.00 0.00 C ATOM 307 O4 U A 10 -1.400 1.391 3.225 1.00 0.00 O ATOM 308 C5 U A 10 -1.726 3.574 4.049 1.00 0.00 C ATOM 309 C6 U A 10 -2.631 4.527 4.381 1.00 0.00 C ATOM 0 H5' U A 10 -2.873 8.736 5.273 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.970 8.491 7.005 1.00 0.00 H new ATOM 0 H4' U A 10 -5.067 7.982 6.039 1.00 0.00 H new ATOM 0 H3' U A 10 -3.448 5.651 7.094 1.00 0.00 H new ATOM 0 H2' U A 10 -5.178 4.094 6.453 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.142 4.654 6.753 1.00 0.00 H new ATOM 0 H1' U A 10 -5.840 5.205 4.026 1.00 0.00 H new ATOM 0 H3 U A 10 -3.859 1.266 3.075 1.00 0.00 H new ATOM 0 H5 U A 10 -0.672 3.776 4.168 1.00 0.00 H new ATOM 0 H6 U A 10 -2.286 5.480 4.755 1.00 0.00 H new ATOM 320 P C A 11 -4.481 5.725 9.453 1.00 0.00 P ATOM 321 OP1 C A 11 -5.112 6.397 10.611 1.00 0.00 O ATOM 322 OP2 C A 11 -3.008 5.577 9.396 1.00 0.00 O ATOM 323 O5' C A 11 -5.133 4.251 9.298 1.00 0.00 O ATOM 324 C5' C A 11 -6.557 4.056 9.363 1.00 0.00 C ATOM 325 C4' C A 11 -6.994 2.767 8.655 1.00 0.00 C ATOM 326 O4' C A 11 -6.439 2.703 7.324 1.00 0.00 O ATOM 327 C3' C A 11 -6.524 1.517 9.384 1.00 0.00 C ATOM 328 O3' C A 11 -7.504 1.027 10.316 1.00 0.00 O ATOM 329 C2' C A 11 -6.285 0.532 8.287 1.00 0.00 C ATOM 330 O2' C A 11 -7.459 -0.245 8.020 1.00 0.00 O ATOM 331 C1' C A 11 -5.922 1.373 7.089 1.00 0.00 C ATOM 332 N1 C A 11 -4.456 1.391 6.909 1.00 0.00 N ATOM 333 C2 C A 11 -3.880 0.328 6.237 1.00 0.00 C ATOM 334 O2 C A 11 -4.575 -0.593 5.834 1.00 0.00 O ATOM 335 N3 C A 11 -2.536 0.329 6.049 1.00 0.00 N ATOM 336 C4 C A 11 -1.784 1.332 6.500 1.00 0.00 C ATOM 337 N4 C A 11 -0.471 1.296 6.291 1.00 0.00 N ATOM 338 C5 C A 11 -2.374 2.438 7.199 1.00 0.00 C ATOM 339 C6 C A 11 -3.706 2.422 7.382 1.00 0.00 C ATOM 0 H5' C A 11 -7.061 4.908 8.907 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.871 4.021 10.406 1.00 0.00 H new ATOM 0 H4' C A 11 -8.083 2.796 8.634 1.00 0.00 H new ATOM 0 H3' C A 11 -5.637 1.708 9.988 1.00 0.00 H new ATOM 0 H2' C A 11 -5.504 -0.182 8.547 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.273 -0.880 7.297 1.00 0.00 H new ATOM 0 H1' C A 11 -6.353 0.964 6.175 1.00 0.00 H new ATOM 0 H41 C A 11 0.120 2.055 6.629 1.00 0.00 H new ATOM 0 H42 C A 11 -0.055 0.509 5.793 1.00 0.00 H new ATOM 0 H5 C A 11 -1.769 3.254 7.565 1.00 0.00 H new ATOM 0 H6 C A 11 -4.184 3.235 7.909 1.00 0.00 H new ATOM 351 P C A 12 -7.123 -0.135 11.380 1.00 0.00 P ATOM 352 OP1 C A 12 -8.290 -0.347 12.263 1.00 0.00 O ATOM 353 OP2 C A 12 -5.805 0.189 11.972 1.00 0.00 O ATOM 354 O5' C A 12 -6.947 -1.451 10.455 1.00 0.00 O ATOM 355 C5' C A 12 -8.093 -2.182 9.988 1.00 0.00 C ATOM 356 C4' C A 12 -7.701 -3.512 9.339 1.00 0.00 C ATOM 357 O4' C A 12 -6.843 -3.314 8.196 1.00 0.00 O ATOM 358 C3' C A 12 -6.944 -4.397 10.310 1.00 0.00 C ATOM 359 O3' C A 12 -7.823 -5.276 11.023 1.00 0.00 O ATOM 360 C2' C A 12 -5.983 -5.165 9.455 1.00 0.00 C ATOM 361 O2' C A 12 -6.532 -6.442 9.092 1.00 0.00 O ATOM 362 C1' C A 12 -5.778 -4.298 8.222 1.00 0.00 C ATOM 363 N1 C A 12 -4.456 -3.636 8.251 1.00 0.00 N ATOM 364 C2 C A 12 -3.387 -4.297 7.658 1.00 0.00 C ATOM 365 O2 C A 12 -3.544 -5.401 7.138 1.00 0.00 O ATOM 366 N3 C A 12 -2.170 -3.694 7.674 1.00 0.00 N ATOM 367 C4 C A 12 -2.001 -2.499 8.245 1.00 0.00 C ATOM 368 N4 C A 12 -0.797 -1.942 8.235 1.00 0.00 N ATOM 369 C5 C A 12 -3.091 -1.814 8.859 1.00 0.00 C ATOM 370 C6 C A 12 -4.297 -2.414 8.840 1.00 0.00 C ATOM 0 H5' C A 12 -8.641 -1.575 9.267 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.767 -2.371 10.823 1.00 0.00 H new ATOM 0 H4' C A 12 -8.636 -3.983 9.035 1.00 0.00 H new ATOM 0 H3' C A 12 -6.437 -3.813 11.078 1.00 0.00 H new ATOM 0 H2' C A 12 -5.046 -5.369 9.974 1.00 0.00 H new ATOM 0 HO2' C A 12 -7.279 -6.658 9.688 1.00 0.00 H new ATOM 0 HO3' C A 12 -7.301 -5.832 11.638 1.00 0.00 H new ATOM 0 H1' C A 12 -5.806 -4.914 7.323 1.00 0.00 H new ATOM 0 H41 C A 12 -0.654 -1.029 8.668 1.00 0.00 H new ATOM 0 H42 C A 12 -0.015 -2.426 7.795 1.00 0.00 H new ATOM 0 H5 C A 12 -2.954 -0.848 9.323 1.00 0.00 H new ATOM 0 H6 C A 12 -5.146 -1.924 9.295 1.00 0.00 H new TER 383 C A 12