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 -143:sc= -0.617 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00885 USER MOD Single : A 2 G O2' : rot -141:sc= -0.231 USER MOD Single : A 3 A O2' : rot -2:sc= -1.73! USER MOD Single : A 4 C O2' : rot 1:sc= -0.128 USER MOD Single : A 5 U5P O3' : rot 59:sc= 0.957 USER MOD Single : A 6 U5P O3' : rot 11:sc= 0.381 USER MOD Single : A 7 C5P O3' : rot 123:sc= 0.414 USER MOD Single : A 8 5GP O3' : rot 98:sc= 0.372 USER MOD Single : A 9 G O2' : rot 4:sc= -0.142 USER MOD Single : A 10 U O2' : rot -110:sc= 0.663 USER MOD Single : A 11 C O2' : rot -152:sc= -0.944 USER MOD Single : A 12 C O2' : rot -20:sc= 0.329 USER MOD Single : A 12 C O3' : rot 180:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.710 -7.597 4.032 1.00 0.00 O ATOM 2 C5' G A 1 5.517 -8.910 3.472 1.00 0.00 C ATOM 3 C4' G A 1 4.072 -9.384 3.552 1.00 0.00 C ATOM 4 O4' G A 1 3.602 -9.400 4.918 1.00 0.00 O ATOM 5 C3' G A 1 3.151 -8.458 2.782 1.00 0.00 C ATOM 6 O3' G A 1 2.952 -8.915 1.432 1.00 0.00 O ATOM 7 C2' G A 1 1.870 -8.468 3.563 1.00 0.00 C ATOM 8 O2' G A 1 0.917 -9.390 3.012 1.00 0.00 O ATOM 9 C1' G A 1 2.256 -8.864 4.965 1.00 0.00 C ATOM 10 N9 G A 1 2.172 -7.694 5.847 1.00 0.00 N ATOM 11 C8 G A 1 3.154 -6.966 6.422 1.00 0.00 C ATOM 12 N7 G A 1 2.804 -5.952 7.141 1.00 0.00 N ATOM 13 C5 G A 1 1.406 -6.001 7.035 1.00 0.00 C ATOM 14 C6 G A 1 0.410 -5.156 7.596 1.00 0.00 C ATOM 15 O6 G A 1 0.553 -4.172 8.317 1.00 0.00 O ATOM 16 N1 G A 1 -0.863 -5.565 7.234 1.00 0.00 N ATOM 17 C2 G A 1 -1.152 -6.646 6.436 1.00 0.00 C ATOM 18 N2 G A 1 -2.431 -6.879 6.198 1.00 0.00 N ATOM 19 N3 G A 1 -0.232 -7.443 5.908 1.00 0.00 N ATOM 20 C4 G A 1 1.019 -7.068 6.243 1.00 0.00 C ATOM 0 H5' G A 1 6.156 -9.620 3.996 1.00 0.00 H new ATOM 0 H5'' G A 1 5.835 -8.905 2.429 1.00 0.00 H new ATOM 0 H4' G A 1 4.054 -10.388 3.128 1.00 0.00 H new ATOM 0 H3' G A 1 3.564 -7.454 2.685 1.00 0.00 H new ATOM 0 H2' G A 1 1.385 -7.492 3.535 1.00 0.00 H new ATOM 0 HO2' G A 1 0.015 -9.014 3.089 1.00 0.00 H new ATOM 0 HO5' G A 1 6.654 -7.344 3.956 1.00 0.00 H new ATOM 0 H1' G A 1 1.581 -9.622 5.362 1.00 0.00 H new ATOM 0 H8 G A 1 4.194 -7.223 6.285 1.00 0.00 H new ATOM 0 H1 G A 1 -1.649 -5.020 7.588 1.00 0.00 H new ATOM 0 H21 G A 1 -2.705 -7.668 5.612 1.00 0.00 H new ATOM 0 H22 G A 1 -3.144 -6.270 6.600 1.00 0.00 H new ATOM 33 P G A 2 2.336 -7.937 0.301 1.00 0.00 P ATOM 34 OP1 G A 2 2.480 -8.606 -1.011 1.00 0.00 O ATOM 35 OP2 G A 2 2.906 -6.586 0.501 1.00 0.00 O ATOM 36 O5' G A 2 0.766 -7.879 0.669 1.00 0.00 O ATOM 37 C5' G A 2 -0.091 -9.020 0.446 1.00 0.00 C ATOM 38 C4' G A 2 -1.506 -8.795 0.953 1.00 0.00 C ATOM 39 O4' G A 2 -1.490 -8.397 2.340 1.00 0.00 O ATOM 40 C3' G A 2 -2.190 -7.681 0.182 1.00 0.00 C ATOM 41 O3' G A 2 -2.981 -8.196 -0.905 1.00 0.00 O ATOM 42 C2' G A 2 -3.036 -6.979 1.194 1.00 0.00 C ATOM 43 O2' G A 2 -4.390 -7.458 1.173 1.00 0.00 O ATOM 44 C1' G A 2 -2.378 -7.266 2.522 1.00 0.00 C ATOM 45 N9 G A 2 -1.636 -6.085 2.985 1.00 0.00 N ATOM 46 C8 G A 2 -0.320 -5.817 2.898 1.00 0.00 C ATOM 47 N7 G A 2 0.102 -4.702 3.389 1.00 0.00 N ATOM 48 C5 G A 2 -1.087 -4.140 3.869 1.00 0.00 C ATOM 49 C6 G A 2 -1.317 -2.901 4.527 1.00 0.00 C ATOM 50 O6 G A 2 -0.507 -2.030 4.834 1.00 0.00 O ATOM 51 N1 G A 2 -2.656 -2.731 4.829 1.00 0.00 N ATOM 52 C2 G A 2 -3.655 -3.634 4.541 1.00 0.00 C ATOM 53 N2 G A 2 -4.880 -3.294 4.896 1.00 0.00 N ATOM 54 N3 G A 2 -3.453 -4.795 3.930 1.00 0.00 N ATOM 55 C4 G A 2 -2.156 -4.987 3.621 1.00 0.00 C ATOM 0 H5' G A 2 0.335 -9.892 0.942 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.122 -9.244 -0.620 1.00 0.00 H new ATOM 0 H4' G A 2 -2.042 -9.735 0.823 1.00 0.00 H new ATOM 0 H3' G A 2 -1.470 -7.008 -0.284 1.00 0.00 H new ATOM 0 H2' G A 2 -3.100 -5.910 0.992 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.005 -6.706 1.300 1.00 0.00 H new ATOM 0 H1' G A 2 -3.126 -7.500 3.279 1.00 0.00 H new ATOM 0 H8 G A 2 0.361 -6.514 2.432 1.00 0.00 H new ATOM 0 H1 G A 2 -2.925 -1.868 5.303 1.00 0.00 H new ATOM 0 H21 G A 2 -5.659 -3.925 4.707 1.00 0.00 H new ATOM 0 H22 G A 2 -5.047 -2.401 5.359 1.00 0.00 H new ATOM 67 P A A 3 -3.653 -7.205 -1.987 1.00 0.00 P ATOM 68 OP1 A A 3 -4.108 -8.020 -3.136 1.00 0.00 O ATOM 69 OP2 A A 3 -2.739 -6.061 -2.208 1.00 0.00 O ATOM 70 O5' A A 3 -4.955 -6.659 -1.197 1.00 0.00 O ATOM 71 C5' A A 3 -6.251 -7.268 -1.363 1.00 0.00 C ATOM 72 C4' A A 3 -7.372 -6.301 -0.973 1.00 0.00 C ATOM 73 O4' A A 3 -7.243 -5.900 0.414 1.00 0.00 O ATOM 74 C3' A A 3 -7.285 -5.034 -1.803 1.00 0.00 C ATOM 75 O3' A A 3 -8.115 -5.097 -2.972 1.00 0.00 O ATOM 76 C2' A A 3 -7.734 -3.957 -0.868 1.00 0.00 C ATOM 77 O2' A A 3 -9.157 -3.791 -0.931 1.00 0.00 O ATOM 78 C1' A A 3 -7.303 -4.452 0.497 1.00 0.00 C ATOM 79 N9 A A 3 -5.963 -3.944 0.809 1.00 0.00 N ATOM 80 C8 A A 3 -4.781 -4.540 0.578 1.00 0.00 C ATOM 81 N7 A A 3 -3.713 -3.908 0.900 1.00 0.00 N ATOM 82 C5 A A 3 -4.238 -2.727 1.420 1.00 0.00 C ATOM 83 C6 A A 3 -3.636 -1.597 1.952 1.00 0.00 C ATOM 84 N6 A A 3 -2.320 -1.465 2.051 1.00 0.00 N ATOM 85 N1 A A 3 -4.438 -0.606 2.377 1.00 0.00 N ATOM 86 C2 A A 3 -5.768 -0.726 2.281 1.00 0.00 C ATOM 87 N3 A A 3 -6.448 -1.763 1.787 1.00 0.00 N ATOM 88 C4 A A 3 -5.614 -2.736 1.372 1.00 0.00 C ATOM 0 H5' A A 3 -6.314 -8.168 -0.751 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.380 -7.579 -2.400 1.00 0.00 H new ATOM 0 H4' A A 3 -8.317 -6.818 -1.140 1.00 0.00 H new ATOM 0 H3' A A 3 -6.279 -4.863 -2.187 1.00 0.00 H new ATOM 0 H2' A A 3 -7.308 -2.983 -1.111 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.528 -4.397 -1.606 1.00 0.00 H new ATOM 0 H1' A A 3 -7.996 -4.117 1.268 1.00 0.00 H new ATOM 0 H8 A A 3 -4.732 -5.523 0.134 1.00 0.00 H new ATOM 0 H61 A A 3 -1.921 -0.615 2.450 1.00 0.00 H new ATOM 0 H62 A A 3 -1.707 -2.214 1.729 1.00 0.00 H new ATOM 0 H2 A A 3 -6.354 0.106 2.642 1.00 0.00 H new ATOM 100 P C A 4 -7.689 -4.300 -4.309 1.00 0.00 P ATOM 101 OP1 C A 4 -8.835 -4.321 -5.246 1.00 0.00 O ATOM 102 OP2 C A 4 -6.367 -4.801 -4.747 1.00 0.00 O ATOM 103 O5' C A 4 -7.496 -2.789 -3.768 1.00 0.00 O ATOM 104 C5' C A 4 -8.622 -2.017 -3.327 1.00 0.00 C ATOM 105 C4' C A 4 -8.202 -0.723 -2.623 1.00 0.00 C ATOM 106 O4' C A 4 -7.388 -0.969 -1.458 1.00 0.00 O ATOM 107 C3' C A 4 -7.371 0.157 -3.523 1.00 0.00 C ATOM 108 O3' C A 4 -8.184 0.975 -4.380 1.00 0.00 O ATOM 109 C2' C A 4 -6.562 0.981 -2.574 1.00 0.00 C ATOM 110 O2' C A 4 -7.226 2.210 -2.275 1.00 0.00 O ATOM 111 C1' C A 4 -6.436 0.124 -1.330 1.00 0.00 C ATOM 112 N1 C A 4 -5.050 -0.371 -1.185 1.00 0.00 N ATOM 113 C2 C A 4 -4.100 0.513 -0.688 1.00 0.00 C ATOM 114 O2 C A 4 -4.418 1.658 -0.389 1.00 0.00 O ATOM 115 N3 C A 4 -2.820 0.080 -0.550 1.00 0.00 N ATOM 116 C4 C A 4 -2.482 -1.168 -0.885 1.00 0.00 C ATOM 117 N4 C A 4 -1.218 -1.554 -0.738 1.00 0.00 N ATOM 118 C5 C A 4 -3.458 -2.084 -1.400 1.00 0.00 C ATOM 119 C6 C A 4 -4.722 -1.643 -1.533 1.00 0.00 C ATOM 0 H5' C A 4 -9.227 -2.617 -2.648 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.251 -1.774 -4.184 1.00 0.00 H new ATOM 0 H4' C A 4 -9.140 -0.242 -2.346 1.00 0.00 H new ATOM 0 H3' C A 4 -6.751 -0.422 -4.207 1.00 0.00 H new ATOM 0 H2' C A 4 -5.591 1.251 -2.990 1.00 0.00 H new ATOM 0 HO2' C A 4 -8.086 2.239 -2.743 1.00 0.00 H new ATOM 0 H1' C A 4 -6.657 0.701 -0.432 1.00 0.00 H new ATOM 0 H41 C A 4 -0.942 -2.503 -0.989 1.00 0.00 H new ATOM 0 H42 C A 4 -0.524 -0.901 -0.374 1.00 0.00 H new ATOM 0 H5 C A 4 -3.187 -3.094 -1.672 1.00 0.00 H new ATOM 0 H6 C A 4 -5.482 -2.305 -1.920 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.820 3.511 -3.496 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.555 3.590 -2.945 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.833 2.419 -2.911 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.250 1.188 -3.368 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.580 1.187 -3.929 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.315 2.327 -3.976 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.096 4.639 -2.501 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.515 0.212 -3.277 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.620 4.755 -3.559 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.540 5.378 -4.943 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.243 6.783 -4.847 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.888 5.146 -5.556 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.820 4.993 -4.374 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.280 6.230 -6.410 1.00 0.00 O HETATM 145 O4' U5P A 5 -5.020 4.491 -3.281 1.00 0.00 O HETATM 146 C5' U5P A 5 -6.987 4.059 -4.703 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.532 2.751 -5.089 1.00 0.00 O HETATM 148 P U5P A 5 -7.555 1.658 -5.701 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.639 2.379 -6.407 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.762 0.635 -6.420 1.00 0.00 O HETATM 0 HO3' U5P A 5 -4.617 6.341 -7.123 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.641 3.975 -3.835 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.581 4.490 -5.509 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.103 2.467 -2.508 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.317 2.300 -4.403 1.00 0.00 H new HETATM 0 H5 U5P A 5 -2.999 0.260 -4.320 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.274 5.947 -4.107 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.899 4.268 -6.202 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.746 4.940 -5.548 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.209 5.432 -2.810 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.695 4.279 -5.323 1.00 0.00 N HETATM 162 C2 U5P A 6 2.429 3.201 -4.864 1.00 0.00 C HETATM 163 N3 U5P A 6 1.908 1.958 -5.138 1.00 0.00 N HETATM 164 C4 U5P A 6 0.736 1.695 -5.821 1.00 0.00 C HETATM 165 C5 U5P A 6 0.034 2.878 -6.264 1.00 0.00 C HETATM 166 C6 U5P A 6 0.527 4.111 -6.007 1.00 0.00 C HETATM 167 O2 U5P A 6 3.484 3.333 -4.252 1.00 0.00 O HETATM 168 O4 U5P A 6 0.370 0.541 -6.008 1.00 0.00 O HETATM 169 C1' U5P A 6 2.200 5.631 -5.050 1.00 0.00 C HETATM 170 C2' U5P A 6 2.277 6.436 -6.333 1.00 0.00 C HETATM 171 O2' U5P A 6 3.597 6.386 -6.893 1.00 0.00 O HETATM 172 C3' U5P A 6 1.896 7.832 -5.944 1.00 0.00 C HETATM 173 C4' U5P A 6 1.158 7.698 -4.615 1.00 0.00 C HETATM 174 O3' U5P A 6 3.053 8.666 -5.812 1.00 0.00 O HETATM 175 O4' U5P A 6 1.293 6.329 -4.172 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.317 8.090 -4.758 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.981 7.341 -5.787 1.00 0.00 O HETATM 178 P U5P A 6 -2.553 7.569 -6.072 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.849 9.011 -5.923 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.910 6.868 -7.330 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.837 8.196 -6.164 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.827 7.930 -3.808 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.388 9.154 -4.983 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.438 1.153 -4.805 1.00 0.00 H new HETATM 0 H6 U5P A 6 -0.020 4.988 -6.353 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.903 2.775 -6.811 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.590 8.375 -3.878 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.272 8.304 -6.703 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.614 6.042 -7.104 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.186 5.530 -4.597 1.00 0.00 H new HETATM 191 P C5P A 7 4.151 5.032 -7.576 1.00 0.00 P HETATM 192 O1P C5P A 7 5.072 5.417 -8.666 1.00 0.00 O HETATM 193 O2P C5P A 7 3.000 4.144 -7.863 1.00 0.00 O HETATM 194 O5' C5P A 7 5.022 4.371 -6.390 1.00 0.00 O HETATM 195 C5' C5P A 7 5.535 3.034 -6.511 1.00 0.00 C HETATM 196 C4' C5P A 7 6.986 2.945 -6.038 1.00 0.00 C HETATM 197 O4' C5P A 7 7.765 3.967 -6.685 1.00 0.00 O HETATM 198 C3' C5P A 7 7.118 3.149 -4.528 1.00 0.00 C HETATM 199 O3' C5P A 7 7.888 2.100 -3.930 1.00 0.00 O HETATM 200 C2' C5P A 7 7.797 4.470 -4.351 1.00 0.00 C HETATM 201 O2' C5P A 7 8.792 4.394 -3.306 1.00 0.00 O HETATM 202 C1' C5P A 7 8.449 4.752 -5.691 1.00 0.00 C HETATM 203 N1 C5P A 7 8.322 6.180 -6.024 1.00 0.00 N HETATM 204 C2 C5P A 7 9.478 6.896 -6.306 1.00 0.00 C HETATM 205 N3 C5P A 7 9.357 8.214 -6.618 1.00 0.00 N HETATM 206 C4 C5P A 7 8.159 8.806 -6.652 1.00 0.00 C HETATM 207 C5 C5P A 7 6.963 8.074 -6.360 1.00 0.00 C HETATM 208 C6 C5P A 7 7.088 6.771 -6.053 1.00 0.00 C HETATM 209 O2 C5P A 7 10.576 6.342 -6.270 1.00 0.00 O HETATM 210 N4 C5P A 7 8.085 10.096 -6.965 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.651 2.486 -3.452 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.178 10.562 -6.995 1.00 0.00 H new HETATM 0 HN41 C5P A 7 8.935 10.619 -7.175 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 4.918 2.352 -5.926 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.470 2.711 -7.550 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.100 5.256 -4.059 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.200 6.181 -5.826 1.00 0.00 H new HETATM 0 H5 C5P A 7 5.986 8.556 -6.386 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.342 1.946 -6.291 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.143 3.130 -4.042 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.508 4.497 -5.655 1.00 0.00 H new HETATM 222 P 5GP A 8 9.498 5.720 -2.704 1.00 0.00 P HETATM 223 O2P 5GP A 8 10.957 5.473 -2.621 1.00 0.00 O HETATM 224 O3P 5GP A 8 8.989 6.901 -3.437 1.00 0.00 O HETATM 225 O5' 5GP A 8 8.905 5.774 -1.205 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.044 6.965 -0.407 1.00 0.00 C HETATM 227 C4' 5GP A 8 7.879 7.184 0.548 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.616 7.238 -0.146 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.764 6.067 1.566 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.563 6.330 2.726 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.306 6.031 1.907 1.00 0.00 C HETATM 232 O2' 5GP A 8 6.053 6.801 3.098 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.599 6.630 0.692 1.00 0.00 C HETATM 234 N9 5GP A 8 4.858 5.583 -0.040 1.00 0.00 N HETATM 235 C8 5GP A 8 5.226 4.312 -0.340 1.00 0.00 C HETATM 236 N7 5GP A 8 4.363 3.562 -0.933 1.00 0.00 N HETATM 237 C5 5GP A 8 3.272 4.429 -1.057 1.00 0.00 C HETATM 238 C6 5GP A 8 1.991 4.210 -1.626 1.00 0.00 C HETATM 239 O6 5GP A 8 1.540 3.185 -2.128 1.00 0.00 O HETATM 240 N1 5GP A 8 1.201 5.339 -1.546 1.00 0.00 N HETATM 241 C2 5GP A 8 1.581 6.536 -0.992 1.00 0.00 C HETATM 242 N2 5GP A 8 0.683 7.508 -1.019 1.00 0.00 N HETATM 243 N3 5GP A 8 2.777 6.759 -0.452 1.00 0.00 N HETATM 244 C4 5GP A 8 3.572 5.671 -0.515 1.00 0.00 C HETATM 0 HO3' 5GP A 8 7.999 6.707 3.433 1.00 0.00 H new HETATM 0 HN22 5GP A 8 0.907 8.421 -0.622 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.233 7.344 -1.436 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 9.969 6.905 0.166 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.133 7.828 -1.066 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.258 5.279 -1.930 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.218 3.938 -0.088 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.089 8.134 1.040 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.125 5.115 1.178 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.950 5.022 2.115 1.00 0.00 H new HETATM 0 H1' 5GP A 8 4.870 7.381 0.998 1.00 0.00 H new ATOM 256 P G A 9 5.478 6.095 4.431 1.00 0.00 P ATOM 257 OP1 G A 9 6.006 6.819 5.610 1.00 0.00 O ATOM 258 OP2 G A 9 5.685 4.633 4.307 1.00 0.00 O ATOM 259 O5' G A 9 3.901 6.391 4.317 1.00 0.00 O ATOM 260 C5' G A 9 3.414 7.745 4.317 1.00 0.00 C ATOM 261 C4' G A 9 2.027 7.871 3.719 1.00 0.00 C ATOM 262 O4' G A 9 1.992 7.439 2.339 1.00 0.00 O ATOM 263 C3' G A 9 1.035 7.003 4.452 1.00 0.00 C ATOM 264 O3' G A 9 0.481 7.650 5.605 1.00 0.00 O ATOM 265 C2' G A 9 -0.006 6.717 3.425 1.00 0.00 C ATOM 266 O2' G A 9 -1.017 7.732 3.423 1.00 0.00 O ATOM 267 C1' G A 9 0.755 6.707 2.117 1.00 0.00 C ATOM 268 N9 G A 9 1.005 5.314 1.709 1.00 0.00 N ATOM 269 C8 G A 9 2.147 4.584 1.731 1.00 0.00 C ATOM 270 N7 G A 9 2.072 3.350 1.346 1.00 0.00 N ATOM 271 C5 G A 9 0.709 3.233 1.024 1.00 0.00 C ATOM 272 C6 G A 9 -0.036 2.119 0.534 1.00 0.00 C ATOM 273 O6 G A 9 0.355 0.983 0.272 1.00 0.00 O ATOM 274 N1 G A 9 -1.371 2.442 0.352 1.00 0.00 N ATOM 275 C2 G A 9 -1.929 3.676 0.604 1.00 0.00 C ATOM 276 N2 G A 9 -3.226 3.797 0.381 1.00 0.00 N ATOM 277 N3 G A 9 -1.246 4.718 1.057 1.00 0.00 N ATOM 278 C4 G A 9 0.058 4.435 1.246 1.00 0.00 C ATOM 0 H5' G A 9 4.105 8.375 3.756 1.00 0.00 H new ATOM 0 H5'' G A 9 3.399 8.121 5.340 1.00 0.00 H new ATOM 0 H4' G A 9 1.770 8.927 3.800 1.00 0.00 H new ATOM 0 H3' G A 9 1.497 6.101 4.853 1.00 0.00 H new ATOM 0 H2' G A 9 -0.527 5.778 3.610 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.773 8.438 4.057 1.00 0.00 H new ATOM 0 H1' G A 9 0.193 7.181 1.313 1.00 0.00 H new ATOM 0 H8 G A 9 3.082 5.015 2.057 1.00 0.00 H new ATOM 0 H1 G A 9 -1.989 1.709 0.004 1.00 0.00 H new ATOM 0 H21 G A 9 -3.692 4.689 0.551 1.00 0.00 H new ATOM 0 H22 G A 9 -3.761 2.999 0.039 1.00 0.00 H new ATOM 290 P U A 10 -0.190 6.766 6.774 1.00 0.00 P ATOM 291 OP1 U A 10 -0.442 7.651 7.932 1.00 0.00 O ATOM 292 OP2 U A 10 0.618 5.536 6.944 1.00 0.00 O ATOM 293 O5' U A 10 -1.608 6.348 6.130 1.00 0.00 O ATOM 294 C5' U A 10 -2.685 7.294 6.064 1.00 0.00 C ATOM 295 C4' U A 10 -4.007 6.630 5.690 1.00 0.00 C ATOM 296 O4' U A 10 -3.971 6.060 4.361 1.00 0.00 O ATOM 297 C3' U A 10 -4.336 5.497 6.634 1.00 0.00 C ATOM 298 O3' U A 10 -5.066 5.956 7.779 1.00 0.00 O ATOM 299 C2' U A 10 -5.133 4.551 5.792 1.00 0.00 C ATOM 300 O2' U A 10 -6.533 4.861 5.851 1.00 0.00 O ATOM 301 C1' U A 10 -4.599 4.752 4.392 1.00 0.00 C ATOM 302 N1 U A 10 -3.626 3.690 4.040 1.00 0.00 N ATOM 303 C2 U A 10 -4.126 2.497 3.551 1.00 0.00 C ATOM 304 O2 U A 10 -5.329 2.288 3.429 1.00 0.00 O ATOM 305 N3 U A 10 -3.195 1.542 3.215 1.00 0.00 N ATOM 306 C4 U A 10 -1.827 1.658 3.322 1.00 0.00 C ATOM 307 O4 U A 10 -1.093 0.734 2.985 1.00 0.00 O ATOM 308 C5 U A 10 -1.384 2.929 3.844 1.00 0.00 C ATOM 309 C6 U A 10 -2.279 3.892 4.182 1.00 0.00 C ATOM 0 H5' U A 10 -2.446 8.065 5.331 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.789 7.792 7.028 1.00 0.00 H new ATOM 0 H4' U A 10 -4.757 7.419 5.744 1.00 0.00 H new ATOM 0 H3' U A 10 -3.447 5.025 7.053 1.00 0.00 H new ATOM 0 H2' U A 10 -5.039 3.519 6.131 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.003 4.157 6.344 1.00 0.00 H new ATOM 0 H1' U A 10 -5.405 4.695 3.661 1.00 0.00 H new ATOM 0 H3 U A 10 -3.554 0.660 2.850 1.00 0.00 H new ATOM 0 H5 U A 10 -0.327 3.116 3.967 1.00 0.00 H new ATOM 0 H6 U A 10 -1.922 4.835 4.570 1.00 0.00 H new ATOM 320 P C A 11 -4.632 5.490 9.261 1.00 0.00 P ATOM 321 OP1 C A 11 -5.246 6.415 10.240 1.00 0.00 O ATOM 322 OP2 C A 11 -3.167 5.269 9.267 1.00 0.00 O ATOM 323 O5' C A 11 -5.353 4.052 9.394 1.00 0.00 O ATOM 324 C5' C A 11 -6.779 3.931 9.264 1.00 0.00 C ATOM 325 C4' C A 11 -7.180 2.640 8.543 1.00 0.00 C ATOM 326 O4' C A 11 -6.501 2.521 7.274 1.00 0.00 O ATOM 327 C3' C A 11 -6.816 1.409 9.350 1.00 0.00 C ATOM 328 O3' C A 11 -7.895 0.998 10.209 1.00 0.00 O ATOM 329 C2' C A 11 -6.504 0.368 8.313 1.00 0.00 C ATOM 330 O2' C A 11 -7.655 -0.434 8.013 1.00 0.00 O ATOM 331 C1' C A 11 -6.071 1.148 7.090 1.00 0.00 C ATOM 332 N1 C A 11 -4.605 1.060 6.917 1.00 0.00 N ATOM 333 C2 C A 11 -4.105 -0.061 6.277 1.00 0.00 C ATOM 334 O2 C A 11 -4.863 -0.950 5.912 1.00 0.00 O ATOM 335 N3 C A 11 -2.766 -0.152 6.078 1.00 0.00 N ATOM 336 C4 C A 11 -1.946 0.816 6.491 1.00 0.00 C ATOM 337 N4 C A 11 -0.641 0.696 6.270 1.00 0.00 N ATOM 338 C5 C A 11 -2.453 1.976 7.158 1.00 0.00 C ATOM 339 C6 C A 11 -3.782 2.055 7.351 1.00 0.00 C ATOM 0 H5' C A 11 -7.167 4.789 8.715 1.00 0.00 H new ATOM 0 H5'' C A 11 -7.237 3.952 10.253 1.00 0.00 H new ATOM 0 H4' C A 11 -8.260 2.697 8.405 1.00 0.00 H new ATOM 0 H3' C A 11 -5.976 1.588 10.022 1.00 0.00 H new ATOM 0 H2' C A 11 -5.735 -0.322 8.660 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.367 -1.324 7.722 1.00 0.00 H new ATOM 0 H1' C A 11 -6.523 0.737 6.187 1.00 0.00 H new ATOM 0 H41 C A 11 -0.002 1.428 6.580 1.00 0.00 H new ATOM 0 H42 C A 11 -0.279 -0.128 5.790 1.00 0.00 H new ATOM 0 H5 C A 11 -1.792 2.761 7.495 1.00 0.00 H new ATOM 0 H6 C A 11 -4.200 2.914 7.854 1.00 0.00 H new ATOM 351 P C A 12 -7.657 -0.103 11.369 1.00 0.00 P ATOM 352 OP1 C A 12 -8.857 -0.128 12.234 1.00 0.00 O ATOM 353 OP2 C A 12 -6.324 0.132 11.970 1.00 0.00 O ATOM 354 O5' C A 12 -7.597 -1.492 10.552 1.00 0.00 O ATOM 355 C5' C A 12 -8.771 -2.031 9.926 1.00 0.00 C ATOM 356 C4' C A 12 -8.443 -3.276 9.107 1.00 0.00 C ATOM 357 O4' C A 12 -7.411 -3.000 8.137 1.00 0.00 O ATOM 358 C3' C A 12 -7.931 -4.396 9.992 1.00 0.00 C ATOM 359 O3' C A 12 -8.987 -5.268 10.411 1.00 0.00 O ATOM 360 C2' C A 12 -6.931 -5.122 9.150 1.00 0.00 C ATOM 361 O2' C A 12 -7.536 -6.245 8.491 1.00 0.00 O ATOM 362 C1' C A 12 -6.456 -4.092 8.135 1.00 0.00 C ATOM 363 N1 C A 12 -5.101 -3.609 8.476 1.00 0.00 N ATOM 364 C2 C A 12 -4.019 -4.326 7.986 1.00 0.00 C ATOM 365 O2 C A 12 -4.199 -5.315 7.282 1.00 0.00 O ATOM 366 N3 C A 12 -2.768 -3.904 8.303 1.00 0.00 N ATOM 367 C4 C A 12 -2.580 -2.824 9.065 1.00 0.00 C ATOM 368 N4 C A 12 -1.337 -2.451 9.357 1.00 0.00 N ATOM 369 C5 C A 12 -3.689 -2.076 9.572 1.00 0.00 C ATOM 370 C6 C A 12 -4.926 -2.503 9.254 1.00 0.00 C ATOM 0 H5' C A 12 -9.220 -1.276 9.280 1.00 0.00 H new ATOM 0 H5'' C A 12 -9.510 -2.279 10.688 1.00 0.00 H new ATOM 0 H4' C A 12 -9.368 -3.573 8.612 1.00 0.00 H new ATOM 0 H3' C A 12 -7.493 -4.012 10.913 1.00 0.00 H new ATOM 0 H2' C A 12 -6.110 -5.523 9.744 1.00 0.00 H new ATOM 0 HO2' C A 12 -8.358 -6.497 8.962 1.00 0.00 H new ATOM 0 HO3' C A 12 -8.619 -5.978 10.978 1.00 0.00 H new ATOM 0 H1' C A 12 -6.397 -4.537 7.142 1.00 0.00 H new ATOM 0 H41 C A 12 -1.175 -1.628 9.938 1.00 0.00 H new ATOM 0 H42 C A 12 -0.546 -2.988 9.000 1.00 0.00 H new ATOM 0 H5 C A 12 -3.540 -1.201 10.187 1.00 0.00 H new ATOM 0 H6 C A 12 -5.788 -1.964 9.619 1.00 0.00 H new TER 383 C A 12