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 -132:sc= -0.417 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -151:sc= -0.168 USER MOD Single : A 3 A O2' : rot -10:sc= -2.07! USER MOD Single : A 4 C O2' : rot 180:sc= -0.99 USER MOD Single : A 5 U5P O3' : rot 180:sc= 0 USER MOD Single : A 6 U5P O3' : rot 14:sc= 0.353 USER MOD Single : A 7 C5P O3' : rot 130:sc= 0.447 USER MOD Single : A 8 5GP O3' : rot 100:sc= 0.368 USER MOD Single : A 9 G O2' : rot 180:sc= -1.46 USER MOD Single : A 10 U O2' : rot -108:sc= 0.385 USER MOD Single : A 11 C O2' : rot -151:sc= -0.801 USER MOD Single : A 12 C O2' : rot -15:sc= 0.256 USER MOD Single : A 12 C O3' : rot 180:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.075 -7.212 3.532 1.00 0.00 O ATOM 2 C5' G A 1 5.816 -8.573 3.139 1.00 0.00 C ATOM 3 C4' G A 1 4.376 -9.002 3.391 1.00 0.00 C ATOM 4 O4' G A 1 4.009 -8.811 4.775 1.00 0.00 O ATOM 5 C3' G A 1 3.401 -8.180 2.567 1.00 0.00 C ATOM 6 O3' G A 1 3.104 -8.810 1.306 1.00 0.00 O ATOM 7 C2' G A 1 2.178 -8.079 3.425 1.00 0.00 C ATOM 8 O2' G A 1 1.186 -9.045 3.052 1.00 0.00 O ATOM 9 C1' G A 1 2.651 -8.310 4.839 1.00 0.00 C ATOM 10 N9 G A 1 2.565 -7.058 5.600 1.00 0.00 N ATOM 11 C8 G A 1 3.541 -6.228 6.028 1.00 0.00 C ATOM 12 N7 G A 1 3.181 -5.171 6.681 1.00 0.00 N ATOM 13 C5 G A 1 1.784 -5.307 6.690 1.00 0.00 C ATOM 14 C6 G A 1 0.777 -4.472 7.251 1.00 0.00 C ATOM 15 O6 G A 1 0.908 -3.420 7.874 1.00 0.00 O ATOM 16 N1 G A 1 -0.490 -4.988 7.025 1.00 0.00 N ATOM 17 C2 G A 1 -0.762 -6.154 6.348 1.00 0.00 C ATOM 18 N2 G A 1 -2.036 -6.483 6.222 1.00 0.00 N ATOM 19 N3 G A 1 0.167 -6.939 5.824 1.00 0.00 N ATOM 20 C4 G A 1 1.410 -6.463 6.028 1.00 0.00 C ATOM 0 H5' G A 1 6.488 -9.237 3.684 1.00 0.00 H new ATOM 0 H5'' G A 1 6.044 -8.689 2.079 1.00 0.00 H new ATOM 0 H4' G A 1 4.322 -10.055 3.115 1.00 0.00 H new ATOM 0 H3' G A 1 3.809 -7.203 2.309 1.00 0.00 H new ATOM 0 H2' G A 1 1.701 -7.106 3.312 1.00 0.00 H new ATOM 0 HO2' G A 1 0.313 -8.605 2.977 1.00 0.00 H new ATOM 0 HO5' G A 1 7.012 -6.992 3.350 1.00 0.00 H new ATOM 0 H1' G A 1 2.025 -9.041 5.351 1.00 0.00 H new ATOM 0 H8 G A 1 4.582 -6.439 5.832 1.00 0.00 H new ATOM 0 H1 G A 1 -1.283 -4.461 7.390 1.00 0.00 H new ATOM 0 H21 G A 1 -2.296 -7.337 5.729 1.00 0.00 H new ATOM 0 H22 G A 1 -2.759 -5.882 6.618 1.00 0.00 H new ATOM 33 P G A 2 2.320 -8.009 0.138 1.00 0.00 P ATOM 34 OP1 G A 2 2.328 -8.853 -1.078 1.00 0.00 O ATOM 35 OP2 G A 2 2.865 -6.636 0.081 1.00 0.00 O ATOM 36 O5' G A 2 0.799 -7.928 0.688 1.00 0.00 O ATOM 37 C5' G A 2 -0.119 -9.029 0.496 1.00 0.00 C ATOM 38 C4' G A 2 -1.529 -8.726 0.990 1.00 0.00 C ATOM 39 O4' G A 2 -1.506 -8.249 2.353 1.00 0.00 O ATOM 40 C3' G A 2 -2.192 -7.640 0.162 1.00 0.00 C ATOM 41 O3' G A 2 -2.973 -8.189 -0.920 1.00 0.00 O ATOM 42 C2' G A 2 -3.050 -6.893 1.130 1.00 0.00 C ATOM 43 O2' G A 2 -4.407 -7.366 1.101 1.00 0.00 O ATOM 44 C1' G A 2 -2.426 -7.134 2.484 1.00 0.00 C ATOM 45 N9 G A 2 -1.732 -5.920 2.948 1.00 0.00 N ATOM 46 C8 G A 2 -0.427 -5.602 2.874 1.00 0.00 C ATOM 47 N7 G A 2 -0.054 -4.462 3.350 1.00 0.00 N ATOM 48 C5 G A 2 -1.269 -3.937 3.804 1.00 0.00 C ATOM 49 C6 G A 2 -1.554 -2.694 4.437 1.00 0.00 C ATOM 50 O6 G A 2 -0.781 -1.786 4.737 1.00 0.00 O ATOM 51 N1 G A 2 -2.902 -2.573 4.720 1.00 0.00 N ATOM 52 C2 G A 2 -3.864 -3.517 4.438 1.00 0.00 C ATOM 53 N2 G A 2 -5.104 -3.213 4.778 1.00 0.00 N ATOM 54 N3 G A 2 -3.612 -4.681 3.849 1.00 0.00 N ATOM 55 C4 G A 2 -2.303 -4.829 3.559 1.00 0.00 C ATOM 0 H5' G A 2 0.262 -9.907 1.018 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.158 -9.281 -0.564 1.00 0.00 H new ATOM 0 H4' G A 2 -2.085 -9.660 0.908 1.00 0.00 H new ATOM 0 H3' G A 2 -1.457 -6.995 -0.319 1.00 0.00 H new ATOM 0 H2' G A 2 -3.097 -5.832 0.885 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.013 -6.637 1.349 1.00 0.00 H new ATOM 0 H1' G A 2 -3.189 -7.372 3.225 1.00 0.00 H new ATOM 0 H8 G A 2 0.287 -6.280 2.430 1.00 0.00 H new ATOM 0 H1 G A 2 -3.209 -1.713 5.175 1.00 0.00 H new ATOM 0 H21 G A 2 -5.860 -3.873 4.594 1.00 0.00 H new ATOM 0 H22 G A 2 -5.306 -2.318 5.224 1.00 0.00 H new ATOM 67 P A A 3 -3.626 -7.229 -2.048 1.00 0.00 P ATOM 68 OP1 A A 3 -4.017 -8.073 -3.200 1.00 0.00 O ATOM 69 OP2 A A 3 -2.729 -6.068 -2.251 1.00 0.00 O ATOM 70 O5' A A 3 -4.972 -6.698 -1.319 1.00 0.00 O ATOM 71 C5' A A 3 -6.258 -7.307 -1.560 1.00 0.00 C ATOM 72 C4' A A 3 -7.404 -6.360 -1.179 1.00 0.00 C ATOM 73 O4' A A 3 -7.318 -5.996 0.221 1.00 0.00 O ATOM 74 C3' A A 3 -7.306 -5.069 -1.972 1.00 0.00 C ATOM 75 O3' A A 3 -8.111 -5.097 -3.159 1.00 0.00 O ATOM 76 C2' A A 3 -7.785 -4.020 -1.019 1.00 0.00 C ATOM 77 O2' A A 3 -9.207 -3.859 -1.112 1.00 0.00 O ATOM 78 C1' A A 3 -7.386 -4.550 0.340 1.00 0.00 C ATOM 79 N9 A A 3 -6.057 -4.047 0.684 1.00 0.00 N ATOM 80 C8 A A 3 -4.875 -4.646 0.482 1.00 0.00 C ATOM 81 N7 A A 3 -3.813 -4.011 0.806 1.00 0.00 N ATOM 82 C5 A A 3 -4.344 -2.821 1.294 1.00 0.00 C ATOM 83 C6 A A 3 -3.748 -1.687 1.809 1.00 0.00 C ATOM 84 N6 A A 3 -2.434 -1.558 1.911 1.00 0.00 N ATOM 85 N1 A A 3 -4.551 -0.686 2.204 1.00 0.00 N ATOM 86 C2 A A 3 -5.881 -0.805 2.094 1.00 0.00 C ATOM 87 N3 A A 3 -6.556 -1.849 1.612 1.00 0.00 N ATOM 88 C4 A A 3 -5.717 -2.830 1.227 1.00 0.00 C ATOM 0 H5' A A 3 -6.339 -8.229 -0.985 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.343 -7.579 -2.612 1.00 0.00 H new ATOM 0 H4' A A 3 -8.339 -6.880 -1.389 1.00 0.00 H new ATOM 0 H3' A A 3 -6.292 -4.888 -2.328 1.00 0.00 H new ATOM 0 H2' A A 3 -7.359 -3.038 -1.225 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.541 -4.347 -1.893 1.00 0.00 H new ATOM 0 H1' A A 3 -8.097 -4.241 1.106 1.00 0.00 H new ATOM 0 H8 A A 3 -4.821 -5.638 0.057 1.00 0.00 H new ATOM 0 H61 A A 3 -2.034 -0.703 2.298 1.00 0.00 H new ATOM 0 H62 A A 3 -1.822 -2.314 1.603 1.00 0.00 H new ATOM 0 H2 A A 3 -6.470 0.035 2.432 1.00 0.00 H new ATOM 100 P C A 4 -7.712 -4.180 -4.425 1.00 0.00 P ATOM 101 OP1 C A 4 -8.883 -4.103 -5.327 1.00 0.00 O ATOM 102 OP2 C A 4 -6.409 -4.649 -4.945 1.00 0.00 O ATOM 103 O5' C A 4 -7.488 -2.726 -3.753 1.00 0.00 O ATOM 104 C5' C A 4 -8.604 -1.932 -3.322 1.00 0.00 C ATOM 105 C4' C A 4 -8.161 -0.628 -2.654 1.00 0.00 C ATOM 106 O4' C A 4 -7.350 -0.862 -1.485 1.00 0.00 O ATOM 107 C3' C A 4 -7.315 0.211 -3.583 1.00 0.00 C ATOM 108 O3' C A 4 -8.114 1.047 -4.433 1.00 0.00 O ATOM 109 C2' C A 4 -6.454 1.018 -2.666 1.00 0.00 C ATOM 110 O2' C A 4 -7.053 2.286 -2.393 1.00 0.00 O ATOM 111 C1' C A 4 -6.352 0.192 -1.400 1.00 0.00 C ATOM 112 N1 C A 4 -4.990 -0.358 -1.255 1.00 0.00 N ATOM 113 C2 C A 4 -4.005 0.486 -0.757 1.00 0.00 C ATOM 114 O2 C A 4 -4.275 1.644 -0.456 1.00 0.00 O ATOM 115 N3 C A 4 -2.746 0.001 -0.618 1.00 0.00 N ATOM 116 C4 C A 4 -2.458 -1.259 -0.953 1.00 0.00 C ATOM 117 N4 C A 4 -1.211 -1.694 -0.804 1.00 0.00 N ATOM 118 C5 C A 4 -3.470 -2.136 -1.468 1.00 0.00 C ATOM 119 C6 C A 4 -4.714 -1.644 -1.602 1.00 0.00 C ATOM 0 H5' C A 4 -9.210 -2.509 -2.623 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.237 -1.703 -4.179 1.00 0.00 H new ATOM 0 H4' C A 4 -9.087 -0.118 -2.387 1.00 0.00 H new ATOM 0 H3' C A 4 -6.731 -0.402 -4.270 1.00 0.00 H new ATOM 0 H2' C A 4 -5.477 1.226 -3.101 1.00 0.00 H new ATOM 0 HO2' C A 4 -6.474 2.798 -1.791 1.00 0.00 H new ATOM 0 H1' C A 4 -6.539 0.804 -0.518 1.00 0.00 H new ATOM 0 H41 C A 4 -0.972 -2.653 -1.055 1.00 0.00 H new ATOM 0 H42 C A 4 -0.493 -1.068 -0.439 1.00 0.00 H new ATOM 0 H5 C A 4 -3.240 -3.156 -1.739 1.00 0.00 H new ATOM 0 H6 C A 4 -5.501 -2.275 -1.988 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.766 3.470 -3.582 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.514 3.489 -2.993 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.813 2.305 -3.021 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.238 1.116 -3.572 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.552 1.178 -4.166 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.267 2.331 -4.155 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.052 4.496 -2.466 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.522 0.124 -3.531 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.550 4.726 -3.575 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.488 5.421 -4.928 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.152 6.813 -4.777 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.855 5.253 -5.520 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.765 5.018 -4.333 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.258 6.412 -6.262 1.00 0.00 O HETATM 145 O4' U5P A 5 -4.945 4.460 -3.284 1.00 0.00 O HETATM 146 C5' U5P A 5 -6.923 4.089 -4.701 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.455 2.811 -5.162 1.00 0.00 O HETATM 148 P U5P A 5 -7.478 1.711 -5.761 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.557 2.423 -6.483 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.684 0.676 -6.461 1.00 0.00 O HETATM 0 HO3' U5P A 5 -6.153 6.267 -6.635 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.567 3.949 -3.833 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.531 4.555 -5.477 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.112 2.308 -2.592 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.257 2.351 -4.610 1.00 0.00 H new HETATM 0 H5 U5P A 5 -2.975 0.287 -4.629 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.223 5.950 -4.002 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.887 4.429 -6.233 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.717 4.994 -5.570 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.115 5.364 -2.806 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.808 4.209 -5.235 1.00 0.00 N HETATM 162 C2 U5P A 6 2.516 3.074 -4.885 1.00 0.00 C HETATM 163 N3 U5P A 6 1.954 1.876 -5.257 1.00 0.00 N HETATM 164 C4 U5P A 6 0.764 1.707 -5.938 1.00 0.00 C HETATM 165 C5 U5P A 6 0.091 2.944 -6.264 1.00 0.00 C HETATM 166 C6 U5P A 6 0.624 4.135 -5.910 1.00 0.00 C HETATM 167 O2 U5P A 6 3.582 3.122 -4.279 1.00 0.00 O HETATM 168 O4 U5P A 6 0.360 0.584 -6.219 1.00 0.00 O HETATM 169 C1' U5P A 6 2.360 5.518 -4.862 1.00 0.00 C HETATM 170 C2' U5P A 6 2.461 6.412 -6.082 1.00 0.00 C HETATM 171 O2' U5P A 6 3.783 6.369 -6.646 1.00 0.00 O HETATM 172 C3' U5P A 6 2.115 7.785 -5.590 1.00 0.00 C HETATM 173 C4' U5P A 6 1.353 7.571 -4.285 1.00 0.00 C HETATM 174 O3' U5P A 6 3.292 8.579 -5.377 1.00 0.00 O HETATM 175 O4' U5P A 6 1.475 6.175 -3.929 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.118 7.973 -4.431 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.770 7.246 -5.483 1.00 0.00 O HETATM 178 P U5P A 6 -2.290 7.588 -5.903 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.505 9.042 -5.730 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.555 6.956 -7.216 1.00 0.00 O HETATM 0 HO3' U5P A 6 4.061 8.144 -5.801 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.638 7.794 -3.490 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.184 9.042 -4.634 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.465 1.030 -5.006 1.00 0.00 H new HETATM 0 H6 U5P A 6 0.098 5.054 -6.169 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.857 2.916 -6.801 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.773 8.199 -3.499 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.518 8.330 -6.321 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.791 6.093 -6.880 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.344 5.354 -4.422 1.00 0.00 H new HETATM 191 P C5P A 7 4.316 5.052 -7.412 1.00 0.00 P HETATM 192 O1P C5P A 7 5.246 5.487 -8.476 1.00 0.00 O HETATM 193 O2P C5P A 7 3.152 4.200 -7.754 1.00 0.00 O HETATM 194 O5' C5P A 7 5.175 4.306 -6.268 1.00 0.00 O HETATM 195 C5' C5P A 7 5.688 2.980 -6.477 1.00 0.00 C HETATM 196 C4' C5P A 7 7.133 2.855 -5.991 1.00 0.00 C HETATM 197 O4' C5P A 7 7.924 3.913 -6.561 1.00 0.00 O HETATM 198 C3' C5P A 7 7.245 2.962 -4.470 1.00 0.00 C HETATM 199 O3' C5P A 7 8.002 1.874 -3.929 1.00 0.00 O HETATM 200 C2' C5P A 7 7.925 4.266 -4.199 1.00 0.00 C HETATM 201 O2' C5P A 7 8.904 4.120 -3.146 1.00 0.00 O HETATM 202 C1' C5P A 7 8.597 4.631 -5.509 1.00 0.00 C HETATM 203 N1 C5P A 7 8.480 6.077 -5.752 1.00 0.00 N HETATM 204 C2 C5P A 7 9.642 6.804 -5.971 1.00 0.00 C HETATM 205 N3 C5P A 7 9.531 8.139 -6.202 1.00 0.00 N HETATM 206 C4 C5P A 7 8.335 8.737 -6.219 1.00 0.00 C HETATM 207 C5 C5P A 7 7.132 7.994 -5.994 1.00 0.00 C HETATM 208 C6 C5P A 7 7.248 6.673 -5.765 1.00 0.00 C HETATM 209 O2 C5P A 7 10.737 6.245 -5.950 1.00 0.00 O HETATM 210 N4 C5P A 7 8.271 10.044 -6.453 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.691 2.223 -3.326 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.367 10.515 -6.469 1.00 0.00 H new HETATM 0 HN41 C5P A 7 9.126 10.575 -6.616 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 5.062 2.259 -5.950 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.637 2.732 -7.537 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.227 5.034 -3.867 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.355 6.074 -5.589 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.157 8.481 -6.008 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.489 1.873 -6.302 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.263 2.917 -4.000 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.655 4.370 -5.475 1.00 0.00 H new HETATM 222 P 5GP A 8 9.621 5.403 -2.466 1.00 0.00 P HETATM 223 O2P 5GP A 8 11.081 5.153 -2.427 1.00 0.00 O HETATM 224 O3P 5GP A 8 9.097 6.631 -3.106 1.00 0.00 O HETATM 225 O5' 5GP A 8 9.055 5.351 -0.956 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.150 6.505 -0.099 1.00 0.00 C HETATM 227 C4' 5GP A 8 7.951 6.664 0.824 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.709 6.723 0.092 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.823 5.502 1.789 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.577 5.729 2.986 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.355 5.429 2.082 1.00 0.00 C HETATM 232 O2' 5GP A 8 6.052 6.128 3.304 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.674 6.085 0.882 1.00 0.00 C HETATM 234 N9 5GP A 8 4.936 5.078 0.092 1.00 0.00 N HETATM 235 C8 5GP A 8 5.294 3.816 -0.254 1.00 0.00 C HETATM 236 N7 5GP A 8 4.432 3.103 -0.892 1.00 0.00 N HETATM 237 C5 5GP A 8 3.354 3.988 -0.999 1.00 0.00 C HETATM 238 C6 5GP A 8 2.079 3.809 -1.599 1.00 0.00 C HETATM 239 O6 5GP A 8 1.621 2.812 -2.149 1.00 0.00 O HETATM 240 N1 5GP A 8 1.304 4.945 -1.485 1.00 0.00 N HETATM 241 C2 5GP A 8 1.688 6.112 -0.876 1.00 0.00 C HETATM 242 N2 5GP A 8 0.800 7.092 -0.877 1.00 0.00 N HETATM 243 N3 5GP A 8 2.876 6.297 -0.306 1.00 0.00 N HETATM 244 C4 5GP A 8 3.659 5.202 -0.401 1.00 0.00 C HETATM 0 HO3' 5GP A 8 7.976 6.030 3.699 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.026 7.985 -0.440 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.111 6.954 -1.315 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.056 6.430 0.502 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.249 7.400 -0.714 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.367 4.914 -1.887 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.277 3.419 -0.001 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.128 7.596 1.360 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.214 4.574 1.371 1.00 0.00 H new HETATM 0 H2' 5GP A 8 6.011 4.404 2.223 1.00 0.00 H new HETATM 0 H1' 5GP A 8 4.944 6.827 1.207 1.00 0.00 H new ATOM 256 P G A 9 5.462 5.341 4.584 1.00 0.00 P ATOM 257 OP1 G A 9 6.094 5.893 5.804 1.00 0.00 O ATOM 258 OP2 G A 9 5.529 3.888 4.309 1.00 0.00 O ATOM 259 O5' G A 9 3.915 5.780 4.568 1.00 0.00 O ATOM 260 C5' G A 9 3.549 7.167 4.682 1.00 0.00 C ATOM 261 C4' G A 9 2.219 7.478 4.023 1.00 0.00 C ATOM 262 O4' G A 9 2.229 7.158 2.609 1.00 0.00 O ATOM 263 C3' G A 9 1.105 6.657 4.628 1.00 0.00 C ATOM 264 O3' G A 9 0.526 7.275 5.790 1.00 0.00 O ATOM 265 C2' G A 9 0.119 6.540 3.516 1.00 0.00 C ATOM 266 O2' G A 9 -0.787 7.647 3.512 1.00 0.00 O ATOM 267 C1' G A 9 0.964 6.526 2.268 1.00 0.00 C ATOM 268 N9 G A 9 1.147 5.132 1.825 1.00 0.00 N ATOM 269 C8 G A 9 2.249 4.350 1.858 1.00 0.00 C ATOM 270 N7 G A 9 2.130 3.130 1.444 1.00 0.00 N ATOM 271 C5 G A 9 0.775 3.080 1.085 1.00 0.00 C ATOM 272 C6 G A 9 -0.004 2.009 0.552 1.00 0.00 C ATOM 273 O6 G A 9 0.343 0.860 0.278 1.00 0.00 O ATOM 274 N1 G A 9 -1.318 2.392 0.344 1.00 0.00 N ATOM 275 C2 G A 9 -1.832 3.642 0.606 1.00 0.00 C ATOM 276 N2 G A 9 -3.116 3.817 0.351 1.00 0.00 N ATOM 277 N3 G A 9 -1.118 4.648 1.099 1.00 0.00 N ATOM 278 C4 G A 9 0.170 4.306 1.316 1.00 0.00 C ATOM 0 H5' G A 9 4.327 7.782 4.229 1.00 0.00 H new ATOM 0 H5'' G A 9 3.500 7.440 5.736 1.00 0.00 H new ATOM 0 H4' G A 9 2.058 8.545 4.177 1.00 0.00 H new ATOM 0 H3' G A 9 1.457 5.692 4.993 1.00 0.00 H new ATOM 0 H2' G A 9 -0.503 5.649 3.606 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.423 7.547 2.773 1.00 0.00 H new ATOM 0 H1' G A 9 0.497 7.068 1.446 1.00 0.00 H new ATOM 0 H8 G A 9 3.194 4.730 2.217 1.00 0.00 H new ATOM 0 H1 G A 9 -1.957 1.692 -0.034 1.00 0.00 H new ATOM 0 H21 G A 9 -3.552 4.723 0.526 1.00 0.00 H new ATOM 0 H22 G A 9 -3.672 3.047 -0.020 1.00 0.00 H new ATOM 290 P U A 10 -0.415 6.411 6.782 1.00 0.00 P ATOM 291 OP1 U A 10 -0.766 7.255 7.945 1.00 0.00 O ATOM 292 OP2 U A 10 0.214 5.086 6.995 1.00 0.00 O ATOM 293 O5' U A 10 -1.745 6.185 5.896 1.00 0.00 O ATOM 294 C5' U A 10 -2.712 7.233 5.721 1.00 0.00 C ATOM 295 C4' U A 10 -4.070 6.677 5.299 1.00 0.00 C ATOM 296 O4' U A 10 -4.014 6.061 3.990 1.00 0.00 O ATOM 297 C3' U A 10 -4.528 5.609 6.265 1.00 0.00 C ATOM 298 O3' U A 10 -5.329 6.159 7.319 1.00 0.00 O ATOM 299 C2' U A 10 -5.292 4.640 5.419 1.00 0.00 C ATOM 300 O2' U A 10 -6.689 4.964 5.401 1.00 0.00 O ATOM 301 C1' U A 10 -4.691 4.778 4.037 1.00 0.00 C ATOM 302 N1 U A 10 -3.741 3.675 3.750 1.00 0.00 N ATOM 303 C2 U A 10 -4.258 2.478 3.284 1.00 0.00 C ATOM 304 O2 U A 10 -5.461 2.292 3.135 1.00 0.00 O ATOM 305 N3 U A 10 -3.340 1.491 3.006 1.00 0.00 N ATOM 306 C4 U A 10 -1.974 1.581 3.149 1.00 0.00 C ATOM 307 O4 U A 10 -1.252 0.633 2.864 1.00 0.00 O ATOM 308 C5 U A 10 -1.516 2.853 3.643 1.00 0.00 C ATOM 309 C6 U A 10 -2.395 3.847 3.923 1.00 0.00 C ATOM 0 H5' U A 10 -2.356 7.936 4.968 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.819 7.790 6.652 1.00 0.00 H new ATOM 0 H4' U A 10 -4.758 7.522 5.286 1.00 0.00 H new ATOM 0 H3' U A 10 -3.694 5.127 6.776 1.00 0.00 H new ATOM 0 H2' U A 10 -5.222 3.621 5.800 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.186 4.300 5.923 1.00 0.00 H new ATOM 0 H1' U A 10 -5.473 4.724 3.280 1.00 0.00 H new ATOM 0 H3 U A 10 -3.708 0.605 2.660 1.00 0.00 H new ATOM 0 H5 U A 10 -0.459 3.018 3.793 1.00 0.00 H new ATOM 0 H6 U A 10 -2.025 4.793 4.290 1.00 0.00 H new ATOM 320 P C A 11 -4.985 5.815 8.856 1.00 0.00 P ATOM 321 OP1 C A 11 -5.749 6.739 9.724 1.00 0.00 O ATOM 322 OP2 C A 11 -3.513 5.716 8.990 1.00 0.00 O ATOM 323 O5' C A 11 -5.601 4.332 9.019 1.00 0.00 O ATOM 324 C5' C A 11 -7.008 4.101 8.850 1.00 0.00 C ATOM 325 C4' C A 11 -7.293 2.740 8.212 1.00 0.00 C ATOM 326 O4' C A 11 -6.619 2.599 6.941 1.00 0.00 O ATOM 327 C3' C A 11 -6.806 1.602 9.083 1.00 0.00 C ATOM 328 O3' C A 11 -7.807 1.178 10.022 1.00 0.00 O ATOM 329 C2' C A 11 -6.462 0.518 8.106 1.00 0.00 C ATOM 330 O2' C A 11 -7.576 -0.355 7.879 1.00 0.00 O ATOM 331 C1' C A 11 -6.095 1.248 6.832 1.00 0.00 C ATOM 332 N1 C A 11 -4.630 1.248 6.656 1.00 0.00 N ATOM 333 C2 C A 11 -4.066 0.152 6.031 1.00 0.00 C ATOM 334 O2 C A 11 -4.770 -0.781 5.661 1.00 0.00 O ATOM 335 N3 C A 11 -2.723 0.126 5.850 1.00 0.00 N ATOM 336 C4 C A 11 -1.957 1.132 6.265 1.00 0.00 C ATOM 337 N4 C A 11 -0.645 1.066 6.064 1.00 0.00 N ATOM 338 C5 C A 11 -2.530 2.272 6.916 1.00 0.00 C ATOM 339 C6 C A 11 -3.867 2.287 7.091 1.00 0.00 C ATOM 0 H5' C A 11 -7.433 4.889 8.228 1.00 0.00 H new ATOM 0 H5'' C A 11 -7.504 4.158 9.819 1.00 0.00 H new ATOM 0 H4' C A 11 -8.375 2.695 8.086 1.00 0.00 H new ATOM 0 H3' C A 11 -5.955 1.889 9.701 1.00 0.00 H new ATOM 0 H2' C A 11 -5.653 -0.113 8.475 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.249 -1.251 7.655 1.00 0.00 H new ATOM 0 H1' C A 11 -6.522 0.757 5.958 1.00 0.00 H new ATOM 0 H41 C A 11 -0.042 1.828 6.375 1.00 0.00 H new ATOM 0 H42 C A 11 -0.241 0.254 5.598 1.00 0.00 H new ATOM 0 H5 C A 11 -1.913 3.091 7.255 1.00 0.00 H new ATOM 0 H6 C A 11 -4.335 3.129 7.579 1.00 0.00 H new ATOM 351 P C A 12 -7.420 0.194 11.243 1.00 0.00 P ATOM 352 OP1 C A 12 -8.546 0.181 12.202 1.00 0.00 O ATOM 353 OP2 C A 12 -6.058 0.544 11.710 1.00 0.00 O ATOM 354 O5' C A 12 -7.347 -1.254 10.535 1.00 0.00 O ATOM 355 C5' C A 12 -8.523 -1.862 9.982 1.00 0.00 C ATOM 356 C4' C A 12 -8.182 -3.124 9.192 1.00 0.00 C ATOM 357 O4' C A 12 -7.217 -2.844 8.154 1.00 0.00 O ATOM 358 C3' C A 12 -7.571 -4.183 10.088 1.00 0.00 C ATOM 359 O3' C A 12 -8.571 -5.064 10.625 1.00 0.00 O ATOM 360 C2' C A 12 -6.593 -4.906 9.210 1.00 0.00 C ATOM 361 O2' C A 12 -7.187 -6.068 8.610 1.00 0.00 O ATOM 362 C1' C A 12 -6.213 -3.891 8.141 1.00 0.00 C ATOM 363 N1 C A 12 -4.867 -3.331 8.396 1.00 0.00 N ATOM 364 C2 C A 12 -3.777 -3.998 7.857 1.00 0.00 C ATOM 365 O2 C A 12 -3.940 -5.021 7.201 1.00 0.00 O ATOM 366 N3 C A 12 -2.535 -3.493 8.080 1.00 0.00 N ATOM 367 C4 C A 12 -2.364 -2.382 8.800 1.00 0.00 C ATOM 368 N4 C A 12 -1.131 -1.926 8.997 1.00 0.00 N ATOM 369 C5 C A 12 -3.482 -1.688 9.360 1.00 0.00 C ATOM 370 C6 C A 12 -4.710 -2.196 9.134 1.00 0.00 C ATOM 0 H5' C A 12 -9.030 -1.150 9.331 1.00 0.00 H new ATOM 0 H5'' C A 12 -9.217 -2.110 10.785 1.00 0.00 H new ATOM 0 H4' C A 12 -9.118 -3.479 8.761 1.00 0.00 H new ATOM 0 H3' C A 12 -7.084 -3.751 10.962 1.00 0.00 H new ATOM 0 H2' C A 12 -5.732 -5.265 9.774 1.00 0.00 H new ATOM 0 HO2' C A 12 -8.023 -6.284 9.073 1.00 0.00 H new ATOM 0 HO3' C A 12 -8.143 -5.735 11.196 1.00 0.00 H new ATOM 0 H1' C A 12 -6.177 -4.371 7.163 1.00 0.00 H new ATOM 0 H41 C A 12 -0.982 -1.078 9.545 1.00 0.00 H new ATOM 0 H42 C A 12 -0.334 -2.424 8.600 1.00 0.00 H new ATOM 0 H5 C A 12 -3.347 -0.789 9.943 1.00 0.00 H new ATOM 0 H6 C A 12 -5.578 -1.699 9.542 1.00 0.00 H new TER 383 C A 12