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 -134:sc= -0.779 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -150:sc= 0.357 USER MOD Single : A 3 A O2' : rot -10:sc= -1.74! USER MOD Single : A 4 C O2' : rot 10:sc= -0.34 USER MOD Single : A 5 U5P O3' : rot 57:sc= 0.991 USER MOD Single : A 6 U5P O3' : rot 15:sc= 0.384 USER MOD Single : A 7 C5P O3' : rot 132:sc= 0.458 USER MOD Single : A 8 5GP O3' : rot 99:sc= 0.396 USER MOD Single : A 9 G O2' : rot -3:sc= -1.38 USER MOD Single : A 10 U O2' : rot -110:sc= 0.558 USER MOD Single : A 11 C O2' : rot -148:sc= -0.542 USER MOD Single : A 12 C O2' : rot -10:sc= 0.266 USER MOD Single : A 12 C O3' : rot 180:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.152 -7.001 2.972 1.00 0.00 O ATOM 2 C5' G A 1 5.861 -8.390 2.728 1.00 0.00 C ATOM 3 C4' G A 1 4.432 -8.776 3.095 1.00 0.00 C ATOM 4 O4' G A 1 4.126 -8.416 4.460 1.00 0.00 O ATOM 5 C3' G A 1 3.417 -8.058 2.225 1.00 0.00 C ATOM 6 O3' G A 1 3.081 -8.817 1.050 1.00 0.00 O ATOM 7 C2' G A 1 2.224 -7.882 3.114 1.00 0.00 C ATOM 8 O2' G A 1 1.246 -8.912 2.899 1.00 0.00 O ATOM 9 C1' G A 1 2.759 -7.939 4.525 1.00 0.00 C ATOM 10 N9 G A 1 2.669 -6.611 5.152 1.00 0.00 N ATOM 11 C8 G A 1 3.635 -5.707 5.432 1.00 0.00 C ATOM 12 N7 G A 1 3.275 -4.606 6.008 1.00 0.00 N ATOM 13 C5 G A 1 1.889 -4.794 6.128 1.00 0.00 C ATOM 14 C6 G A 1 0.887 -3.948 6.681 1.00 0.00 C ATOM 15 O6 G A 1 1.013 -2.840 7.196 1.00 0.00 O ATOM 16 N1 G A 1 -0.367 -4.527 6.595 1.00 0.00 N ATOM 17 C2 G A 1 -0.635 -5.759 6.049 1.00 0.00 C ATOM 18 N2 G A 1 -1.897 -6.147 6.049 1.00 0.00 N ATOM 19 N3 G A 1 0.288 -6.555 5.533 1.00 0.00 N ATOM 20 C4 G A 1 1.521 -6.019 5.603 1.00 0.00 C ATOM 0 H5' G A 1 6.555 -9.006 3.299 1.00 0.00 H new ATOM 0 H5'' G A 1 6.031 -8.611 1.674 1.00 0.00 H new ATOM 0 H4' G A 1 4.370 -9.855 2.950 1.00 0.00 H new ATOM 0 H3' G A 1 3.804 -7.111 1.850 1.00 0.00 H new ATOM 0 H2' G A 1 1.717 -6.940 2.907 1.00 0.00 H new ATOM 0 HO2' G A 1 0.355 -8.509 2.834 1.00 0.00 H new ATOM 0 HO5' G A 1 7.080 -6.812 2.720 1.00 0.00 H new ATOM 0 H1' G A 1 2.171 -8.620 5.141 1.00 0.00 H new ATOM 0 H8 G A 1 4.669 -5.897 5.184 1.00 0.00 H new ATOM 0 H1 G A 1 -1.155 -3.997 6.967 1.00 0.00 H new ATOM 0 H21 G A 1 -2.152 -7.053 5.656 1.00 0.00 H new ATOM 0 H22 G A 1 -2.617 -5.541 6.442 1.00 0.00 H new ATOM 33 P G A 2 2.252 -8.137 -0.161 1.00 0.00 P ATOM 34 OP1 G A 2 2.170 -9.118 -1.266 1.00 0.00 O ATOM 35 OP2 G A 2 2.828 -6.797 -0.411 1.00 0.00 O ATOM 36 O5' G A 2 0.767 -7.940 0.456 1.00 0.00 O ATOM 37 C5' G A 2 -0.185 -9.027 0.448 1.00 0.00 C ATOM 38 C4' G A 2 -1.560 -8.629 0.972 1.00 0.00 C ATOM 39 O4' G A 2 -1.473 -8.064 2.296 1.00 0.00 O ATOM 40 C3' G A 2 -2.208 -7.575 0.095 1.00 0.00 C ATOM 41 O3' G A 2 -3.019 -8.170 -0.939 1.00 0.00 O ATOM 42 C2' G A 2 -3.030 -6.750 1.036 1.00 0.00 C ATOM 43 O2' G A 2 -4.404 -7.168 1.038 1.00 0.00 O ATOM 44 C1' G A 2 -2.403 -6.954 2.398 1.00 0.00 C ATOM 45 N9 G A 2 -1.721 -5.729 2.847 1.00 0.00 N ATOM 46 C8 G A 2 -0.431 -5.369 2.706 1.00 0.00 C ATOM 47 N7 G A 2 -0.061 -4.239 3.205 1.00 0.00 N ATOM 48 C5 G A 2 -1.259 -3.770 3.754 1.00 0.00 C ATOM 49 C6 G A 2 -1.536 -2.566 4.454 1.00 0.00 C ATOM 50 O6 G A 2 -0.768 -1.656 4.748 1.00 0.00 O ATOM 51 N1 G A 2 -2.865 -2.491 4.823 1.00 0.00 N ATOM 52 C2 G A 2 -3.819 -3.447 4.561 1.00 0.00 C ATOM 53 N2 G A 2 -5.046 -3.186 4.980 1.00 0.00 N ATOM 54 N3 G A 2 -3.575 -4.581 3.911 1.00 0.00 N ATOM 55 C4 G A 2 -2.282 -4.681 3.535 1.00 0.00 C ATOM 0 H5' G A 2 0.204 -9.846 1.054 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.287 -9.404 -0.570 1.00 0.00 H new ATOM 0 H4' G A 2 -2.153 -9.544 0.976 1.00 0.00 H new ATOM 0 H3' G A 2 -1.469 -6.974 -0.434 1.00 0.00 H new ATOM 0 H2' G A 2 -3.037 -5.700 0.743 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.980 -6.398 1.230 1.00 0.00 H new ATOM 0 H1' G A 2 -3.170 -7.179 3.139 1.00 0.00 H new ATOM 0 H8 G A 2 0.272 -6.007 2.191 1.00 0.00 H new ATOM 0 H1 G A 2 -3.164 -1.659 5.331 1.00 0.00 H new ATOM 0 H21 G A 2 -5.795 -3.858 4.814 1.00 0.00 H new ATOM 0 H22 G A 2 -5.243 -2.313 5.469 1.00 0.00 H new ATOM 67 P A A 3 -3.666 -7.270 -2.116 1.00 0.00 P ATOM 68 OP1 A A 3 -4.070 -8.175 -3.217 1.00 0.00 O ATOM 69 OP2 A A 3 -2.758 -6.132 -2.390 1.00 0.00 O ATOM 70 O5' A A 3 -5.000 -6.686 -1.410 1.00 0.00 O ATOM 71 C5' A A 3 -6.291 -7.295 -1.613 1.00 0.00 C ATOM 72 C4' A A 3 -7.424 -6.347 -1.203 1.00 0.00 C ATOM 73 O4' A A 3 -7.295 -5.979 0.192 1.00 0.00 O ATOM 74 C3' A A 3 -7.352 -5.058 -2.003 1.00 0.00 C ATOM 75 O3' A A 3 -8.194 -5.093 -3.165 1.00 0.00 O ATOM 76 C2' A A 3 -7.803 -4.007 -1.038 1.00 0.00 C ATOM 77 O2' A A 3 -9.227 -3.845 -1.089 1.00 0.00 O ATOM 78 C1' A A 3 -7.365 -4.534 0.311 1.00 0.00 C ATOM 79 N9 A A 3 -6.029 -4.019 0.625 1.00 0.00 N ATOM 80 C8 A A 3 -4.840 -4.539 0.277 1.00 0.00 C ATOM 81 N7 A A 3 -3.782 -3.911 0.627 1.00 0.00 N ATOM 82 C5 A A 3 -4.320 -2.819 1.302 1.00 0.00 C ATOM 83 C6 A A 3 -3.730 -1.742 1.935 1.00 0.00 C ATOM 84 N6 A A 3 -2.417 -1.579 1.979 1.00 0.00 N ATOM 85 N1 A A 3 -4.537 -0.834 2.507 1.00 0.00 N ATOM 86 C2 A A 3 -5.867 -0.990 2.453 1.00 0.00 C ATOM 87 N3 A A 3 -6.538 -1.986 1.871 1.00 0.00 N ATOM 88 C4 A A 3 -5.694 -2.873 1.311 1.00 0.00 C ATOM 0 H5' A A 3 -6.356 -8.216 -1.033 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.405 -7.570 -2.662 1.00 0.00 H new ATOM 0 H4' A A 3 -8.364 -6.867 -1.384 1.00 0.00 H new ATOM 0 H3' A A 3 -6.350 -4.875 -2.391 1.00 0.00 H new ATOM 0 H2' A A 3 -7.382 -3.026 -1.259 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.585 -4.336 -1.858 1.00 0.00 H new ATOM 0 H1' A A 3 -8.057 -4.228 1.095 1.00 0.00 H new ATOM 0 H8 A A 3 -4.779 -5.461 -0.282 1.00 0.00 H new ATOM 0 H61 A A 3 -2.019 -0.770 2.456 1.00 0.00 H new ATOM 0 H62 A A 3 -1.803 -2.262 1.536 1.00 0.00 H new ATOM 0 H2 A A 3 -6.461 -0.226 2.933 1.00 0.00 H new ATOM 100 P C A 4 -7.803 -4.224 -4.468 1.00 0.00 P ATOM 101 OP1 C A 4 -8.978 -4.184 -5.369 1.00 0.00 O ATOM 102 OP2 C A 4 -6.500 -4.710 -4.975 1.00 0.00 O ATOM 103 O5' C A 4 -7.577 -2.745 -3.851 1.00 0.00 O ATOM 104 C5' C A 4 -8.688 -1.958 -3.394 1.00 0.00 C ATOM 105 C4' C A 4 -8.241 -0.674 -2.684 1.00 0.00 C ATOM 106 O4' C A 4 -7.439 -0.944 -1.515 1.00 0.00 O ATOM 107 C3' C A 4 -7.385 0.190 -3.579 1.00 0.00 C ATOM 108 O3' C A 4 -8.174 1.043 -4.422 1.00 0.00 O ATOM 109 C2' C A 4 -6.544 0.980 -2.626 1.00 0.00 C ATOM 110 O2' C A 4 -7.156 2.236 -2.333 1.00 0.00 O ATOM 111 C1' C A 4 -6.457 0.121 -1.378 1.00 0.00 C ATOM 112 N1 C A 4 -5.089 -0.416 -1.219 1.00 0.00 N ATOM 113 C2 C A 4 -4.130 0.416 -0.646 1.00 0.00 C ATOM 114 O2 C A 4 -4.426 1.549 -0.278 1.00 0.00 O ATOM 115 N3 C A 4 -2.865 -0.058 -0.510 1.00 0.00 N ATOM 116 C4 C A 4 -2.549 -1.291 -0.915 1.00 0.00 C ATOM 117 N4 C A 4 -1.300 -1.716 -0.768 1.00 0.00 N ATOM 118 C5 C A 4 -3.532 -2.150 -1.504 1.00 0.00 C ATOM 119 C6 C A 4 -4.781 -1.674 -1.636 1.00 0.00 C ATOM 0 H5' C A 4 -9.296 -2.554 -2.713 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.320 -1.699 -4.243 1.00 0.00 H new ATOM 0 H4' C A 4 -9.168 -0.170 -2.410 1.00 0.00 H new ATOM 0 H3' C A 4 -6.787 -0.403 -4.271 1.00 0.00 H new ATOM 0 H2' C A 4 -5.560 1.206 -3.038 1.00 0.00 H new ATOM 0 HO2' C A 4 -8.068 2.248 -2.693 1.00 0.00 H new ATOM 0 H1' C A 4 -6.671 0.706 -0.484 1.00 0.00 H new ATOM 0 H41 C A 4 -1.042 -2.655 -1.072 1.00 0.00 H new ATOM 0 H42 C A 4 -0.599 -1.104 -0.351 1.00 0.00 H new ATOM 0 H5 C A 4 -3.277 -3.147 -1.831 1.00 0.00 H new ATOM 0 H6 C A 4 -5.547 -2.295 -2.077 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.818 3.415 -3.448 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.560 3.426 -2.871 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.861 2.241 -2.921 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.293 1.060 -3.482 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.613 1.130 -4.063 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.325 2.284 -4.030 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.090 4.425 -2.336 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.578 0.066 -3.461 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.596 4.673 -3.427 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.480 5.397 -4.756 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.175 6.787 -4.549 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.814 5.222 -5.416 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.776 4.993 -4.270 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.177 6.370 -6.198 1.00 0.00 O HETATM 145 O4' U5P A 5 -5.005 4.411 -3.195 1.00 0.00 O HETATM 146 C5' U5P A 5 -6.941 4.091 -4.688 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.490 2.797 -5.123 1.00 0.00 O HETATM 148 P U5P A 5 -7.524 1.715 -5.739 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.591 2.449 -6.456 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.739 0.679 -6.449 1.00 0.00 O HETATM 0 HO3' U5P A 5 -4.484 6.541 -6.870 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.627 3.973 -3.849 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.500 4.570 -5.492 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.069 2.238 -2.501 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.320 2.312 -4.475 1.00 0.00 H new HETATM 0 H5 U5P A 5 -3.042 0.245 -4.533 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.231 5.930 -3.951 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.816 4.393 -6.123 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.675 4.999 -5.374 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.190 5.284 -2.621 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.765 4.130 -5.191 1.00 0.00 N HETATM 162 C2 U5P A 6 2.486 3.014 -4.808 1.00 0.00 C HETATM 163 N3 U5P A 6 1.955 1.800 -5.174 1.00 0.00 N HETATM 164 C4 U5P A 6 0.785 1.598 -5.880 1.00 0.00 C HETATM 165 C5 U5P A 6 0.097 2.817 -6.240 1.00 0.00 C HETATM 166 C6 U5P A 6 0.599 4.024 -5.891 1.00 0.00 C HETATM 167 O2 U5P A 6 3.537 3.091 -4.180 1.00 0.00 O HETATM 168 O4 U5P A 6 0.409 0.464 -6.151 1.00 0.00 O HETATM 169 C1' U5P A 6 2.283 5.453 -4.817 1.00 0.00 C HETATM 170 C2' U5P A 6 2.377 6.349 -6.036 1.00 0.00 C HETATM 171 O2' U5P A 6 3.700 6.321 -6.592 1.00 0.00 O HETATM 172 C3' U5P A 6 2.016 7.718 -5.545 1.00 0.00 C HETATM 173 C4' U5P A 6 1.281 7.499 -4.225 1.00 0.00 C HETATM 174 O3' U5P A 6 3.183 8.527 -5.361 1.00 0.00 O HETATM 175 O4' U5P A 6 1.377 6.095 -3.896 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.180 7.948 -4.321 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.873 7.314 -5.407 1.00 0.00 O HETATM 178 P U5P A 6 -2.427 7.648 -5.685 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.651 9.084 -5.403 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.801 7.088 -7.007 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.945 8.110 -5.815 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.690 7.721 -3.385 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.218 9.030 -4.450 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.475 0.968 -4.897 1.00 0.00 H new HETATM 0 H6 U5P A 6 0.061 4.929 -6.175 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.837 2.763 -6.799 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.737 8.100 -3.439 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.394 8.250 -6.265 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.712 6.023 -6.836 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.265 5.308 -4.367 1.00 0.00 H new HETATM 191 P C5P A 7 4.242 5.012 -7.366 1.00 0.00 P HETATM 192 O1P C5P A 7 5.180 5.459 -8.417 1.00 0.00 O HETATM 193 O2P C5P A 7 3.082 4.163 -7.726 1.00 0.00 O HETATM 194 O5' C5P A 7 5.091 4.255 -6.221 1.00 0.00 O HETATM 195 C5' C5P A 7 5.572 2.916 -6.425 1.00 0.00 C HETATM 196 C4' C5P A 7 7.019 2.760 -5.952 1.00 0.00 C HETATM 197 O4' C5P A 7 7.824 3.808 -6.521 1.00 0.00 O HETATM 198 C3' C5P A 7 7.148 2.853 -4.431 1.00 0.00 C HETATM 199 O3' C5P A 7 7.889 1.746 -3.907 1.00 0.00 O HETATM 200 C2' C5P A 7 7.858 4.141 -4.158 1.00 0.00 C HETATM 201 O2' C5P A 7 8.846 3.966 -3.118 1.00 0.00 O HETATM 202 C1' C5P A 7 8.523 4.503 -5.472 1.00 0.00 C HETATM 203 N1 C5P A 7 8.431 5.954 -5.701 1.00 0.00 N HETATM 204 C2 C5P A 7 9.605 6.660 -5.923 1.00 0.00 C HETATM 205 N3 C5P A 7 9.517 8.000 -6.141 1.00 0.00 N HETATM 206 C4 C5P A 7 8.332 8.620 -6.140 1.00 0.00 C HETATM 207 C5 C5P A 7 7.117 7.898 -5.909 1.00 0.00 C HETATM 208 C6 C5P A 7 7.211 6.573 -5.696 1.00 0.00 C HETATM 209 O2 C5P A 7 10.689 6.081 -5.919 1.00 0.00 O HETATM 210 N4 C5P A 7 8.291 9.931 -6.360 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.571 2.074 -3.285 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.396 10.420 -6.363 1.00 0.00 H new HETATM 0 HN41 C5P A 7 9.155 10.448 -6.526 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 4.935 2.214 -5.887 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.505 2.662 -7.483 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.179 4.921 -3.813 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.308 5.988 -5.518 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.151 8.404 -5.906 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.353 1.773 -6.273 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.170 2.824 -3.951 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.576 4.221 -5.453 1.00 0.00 H new HETATM 222 P 5GP A 8 9.584 5.229 -2.425 1.00 0.00 P HETATM 223 O2P 5GP A 8 11.040 4.957 -2.393 1.00 0.00 O HETATM 224 O3P 5GP A 8 9.078 6.473 -3.050 1.00 0.00 O HETATM 225 O5' 5GP A 8 9.020 5.168 -0.915 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.145 6.305 -0.040 1.00 0.00 C HETATM 227 C4' 5GP A 8 7.965 6.464 0.908 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.712 6.561 0.200 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.834 5.284 1.850 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.616 5.470 3.036 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.371 5.232 2.171 1.00 0.00 C HETATM 232 O2' 5GP A 8 6.111 5.919 3.411 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.680 5.919 0.991 1.00 0.00 C HETATM 234 N9 5GP A 8 4.923 4.933 0.189 1.00 0.00 N HETATM 235 C8 5GP A 8 5.261 3.670 -0.173 1.00 0.00 C HETATM 236 N7 5GP A 8 4.389 2.977 -0.819 1.00 0.00 N HETATM 237 C5 5GP A 8 3.324 3.878 -0.915 1.00 0.00 C HETATM 238 C6 5GP A 8 2.048 3.722 -1.517 1.00 0.00 C HETATM 239 O6 5GP A 8 1.578 2.737 -2.078 1.00 0.00 O HETATM 240 N1 5GP A 8 1.286 4.866 -1.391 1.00 0.00 N HETATM 241 C2 5GP A 8 1.686 6.021 -0.769 1.00 0.00 C HETATM 242 N2 5GP A 8 0.809 7.012 -0.762 1.00 0.00 N HETATM 243 N3 5GP A 8 2.877 6.186 -0.197 1.00 0.00 N HETATM 244 C4 5GP A 8 3.646 5.081 -0.303 1.00 0.00 C HETATM 0 HO3' 5GP A 8 8.039 5.786 3.762 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.045 7.898 -0.315 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.103 6.889 -1.203 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.061 6.208 0.543 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.244 7.209 -0.641 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.349 4.851 -1.793 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.238 3.256 0.075 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.167 7.381 1.461 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.198 4.358 1.405 1.00 0.00 H new HETATM 0 H2' 5GP A 8 6.006 4.214 2.303 1.00 0.00 H new HETATM 0 H1' 5GP A 8 4.962 6.661 1.340 1.00 0.00 H new ATOM 256 P G A 9 5.486 5.139 4.680 1.00 0.00 P ATOM 257 OP1 G A 9 6.112 5.670 5.913 1.00 0.00 O ATOM 258 OP2 G A 9 5.524 3.686 4.396 1.00 0.00 O ATOM 259 O5' G A 9 3.950 5.617 4.641 1.00 0.00 O ATOM 260 C5' G A 9 3.621 7.016 4.717 1.00 0.00 C ATOM 261 C4' G A 9 2.291 7.344 4.067 1.00 0.00 C ATOM 262 O4' G A 9 2.274 6.985 2.664 1.00 0.00 O ATOM 263 C3' G A 9 1.165 6.572 4.712 1.00 0.00 C ATOM 264 O3' G A 9 0.612 7.256 5.848 1.00 0.00 O ATOM 265 C2' G A 9 0.165 6.428 3.613 1.00 0.00 C ATOM 266 O2' G A 9 -0.730 7.543 3.586 1.00 0.00 O ATOM 267 C1' G A 9 0.993 6.370 2.355 1.00 0.00 C ATOM 268 N9 G A 9 1.153 4.967 1.928 1.00 0.00 N ATOM 269 C8 G A 9 2.245 4.169 1.973 1.00 0.00 C ATOM 270 N7 G A 9 2.115 2.955 1.549 1.00 0.00 N ATOM 271 C5 G A 9 0.764 2.926 1.171 1.00 0.00 C ATOM 272 C6 G A 9 -0.018 1.869 0.621 1.00 0.00 C ATOM 273 O6 G A 9 0.325 0.725 0.339 1.00 0.00 O ATOM 274 N1 G A 9 -1.325 2.267 0.396 1.00 0.00 N ATOM 275 C2 G A 9 -1.829 3.520 0.658 1.00 0.00 C ATOM 276 N2 G A 9 -3.109 3.711 0.386 1.00 0.00 N ATOM 277 N3 G A 9 -1.110 4.517 1.168 1.00 0.00 N ATOM 278 C4 G A 9 0.171 4.157 1.401 1.00 0.00 C ATOM 0 H5' G A 9 4.408 7.596 4.235 1.00 0.00 H new ATOM 0 H5'' G A 9 3.594 7.322 5.763 1.00 0.00 H new ATOM 0 H4' G A 9 2.159 8.419 4.191 1.00 0.00 H new ATOM 0 H3' G A 9 1.497 5.614 5.113 1.00 0.00 H new ATOM 0 H2' G A 9 -0.461 5.544 3.737 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.530 8.142 4.336 1.00 0.00 H new ATOM 0 H1' G A 9 0.515 6.902 1.532 1.00 0.00 H new ATOM 0 H8 G A 9 3.190 4.533 2.349 1.00 0.00 H new ATOM 0 H1 G A 9 -1.965 1.576 0.005 1.00 0.00 H new ATOM 0 H21 G A 9 -3.537 4.620 0.560 1.00 0.00 H new ATOM 0 H22 G A 9 -3.668 2.949 0.002 1.00 0.00 H new ATOM 290 P U A 10 -0.335 6.464 6.889 1.00 0.00 P ATOM 291 OP1 U A 10 -0.681 7.385 7.994 1.00 0.00 O ATOM 292 OP2 U A 10 0.285 5.153 7.188 1.00 0.00 O ATOM 293 O5' U A 10 -1.666 6.193 6.017 1.00 0.00 O ATOM 294 C5' U A 10 -2.642 7.228 5.815 1.00 0.00 C ATOM 295 C4' U A 10 -4.007 6.649 5.450 1.00 0.00 C ATOM 296 O4' U A 10 -3.986 5.998 4.159 1.00 0.00 O ATOM 297 C3' U A 10 -4.428 5.608 6.461 1.00 0.00 C ATOM 298 O3' U A 10 -5.204 6.186 7.519 1.00 0.00 O ATOM 299 C2' U A 10 -5.211 4.609 5.666 1.00 0.00 C ATOM 300 O2' U A 10 -6.611 4.919 5.688 1.00 0.00 O ATOM 301 C1' U A 10 -4.661 4.717 4.259 1.00 0.00 C ATOM 302 N1 U A 10 -3.723 3.608 3.954 1.00 0.00 N ATOM 303 C2 U A 10 -4.254 2.415 3.495 1.00 0.00 C ATOM 304 O2 U A 10 -5.461 2.234 3.373 1.00 0.00 O ATOM 305 N3 U A 10 -3.348 1.426 3.191 1.00 0.00 N ATOM 306 C4 U A 10 -1.977 1.511 3.303 1.00 0.00 C ATOM 307 O4 U A 10 -1.264 0.565 2.998 1.00 0.00 O ATOM 308 C5 U A 10 -1.504 2.778 3.791 1.00 0.00 C ATOM 309 C6 U A 10 -2.372 3.775 4.097 1.00 0.00 C ATOM 0 H5' U A 10 -2.306 7.896 5.022 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.731 7.827 6.721 1.00 0.00 H new ATOM 0 H4' U A 10 -4.702 7.488 5.433 1.00 0.00 H new ATOM 0 H3' U A 10 -3.577 5.147 6.962 1.00 0.00 H new ATOM 0 H2' U A 10 -5.116 3.601 6.070 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.085 4.253 6.228 1.00 0.00 H new ATOM 0 H1' U A 10 -5.473 4.646 3.535 1.00 0.00 H new ATOM 0 H3 U A 10 -3.728 0.543 2.849 1.00 0.00 H new ATOM 0 H5 U A 10 -0.443 2.938 3.916 1.00 0.00 H new ATOM 0 H6 U A 10 -1.990 4.718 4.460 1.00 0.00 H new ATOM 320 P C A 11 -4.831 5.881 9.056 1.00 0.00 P ATOM 321 OP1 C A 11 -5.572 6.831 9.914 1.00 0.00 O ATOM 322 OP2 C A 11 -3.357 5.777 9.164 1.00 0.00 O ATOM 323 O5' C A 11 -5.452 4.408 9.270 1.00 0.00 O ATOM 324 C5' C A 11 -6.865 4.182 9.151 1.00 0.00 C ATOM 325 C4' C A 11 -7.175 2.805 8.559 1.00 0.00 C ATOM 326 O4' C A 11 -6.564 2.636 7.259 1.00 0.00 O ATOM 327 C3' C A 11 -6.636 1.693 9.431 1.00 0.00 C ATOM 328 O3' C A 11 -7.580 1.280 10.429 1.00 0.00 O ATOM 329 C2' C A 11 -6.334 0.587 8.466 1.00 0.00 C ATOM 330 O2' C A 11 -7.449 -0.305 8.328 1.00 0.00 O ATOM 331 C1' C A 11 -6.044 1.283 7.155 1.00 0.00 C ATOM 332 N1 C A 11 -4.589 1.279 6.894 1.00 0.00 N ATOM 333 C2 C A 11 -4.069 0.203 6.197 1.00 0.00 C ATOM 334 O2 C A 11 -4.803 -0.703 5.815 1.00 0.00 O ATOM 335 N3 C A 11 -2.734 0.169 5.957 1.00 0.00 N ATOM 336 C4 C A 11 -1.936 1.149 6.381 1.00 0.00 C ATOM 337 N4 C A 11 -0.633 1.077 6.122 1.00 0.00 N ATOM 338 C5 C A 11 -2.463 2.266 7.103 1.00 0.00 C ATOM 339 C6 C A 11 -3.791 2.290 7.337 1.00 0.00 C ATOM 0 H5' C A 11 -7.305 4.955 8.521 1.00 0.00 H new ATOM 0 H5'' C A 11 -7.330 4.268 10.133 1.00 0.00 H new ATOM 0 H4' C A 11 -8.261 2.752 8.488 1.00 0.00 H new ATOM 0 H3' C A 11 -5.759 2.007 9.997 1.00 0.00 H new ATOM 0 H2' C A 11 -5.498 -0.025 8.805 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.122 -1.212 8.151 1.00 0.00 H new ATOM 0 H1' C A 11 -6.521 0.770 6.320 1.00 0.00 H new ATOM 0 H41 C A 11 -0.008 1.818 6.439 1.00 0.00 H new ATOM 0 H42 C A 11 -0.259 0.280 5.606 1.00 0.00 H new ATOM 0 H5 C A 11 -1.820 3.062 7.449 1.00 0.00 H new ATOM 0 H6 C A 11 -4.225 3.117 7.880 1.00 0.00 H new ATOM 351 P C A 12 -7.112 0.326 11.645 1.00 0.00 P ATOM 352 OP1 C A 12 -8.218 0.250 12.624 1.00 0.00 O ATOM 353 OP2 C A 12 -5.767 0.761 12.087 1.00 0.00 O ATOM 354 O5' C A 12 -6.963 -1.119 10.944 1.00 0.00 O ATOM 355 C5' C A 12 -8.120 -1.855 10.524 1.00 0.00 C ATOM 356 C4' C A 12 -7.728 -3.122 9.769 1.00 0.00 C ATOM 357 O4' C A 12 -6.912 -2.812 8.621 1.00 0.00 O ATOM 358 C3' C A 12 -6.918 -4.054 10.649 1.00 0.00 C ATOM 359 O3' C A 12 -7.756 -5.004 11.330 1.00 0.00 O ATOM 360 C2' C A 12 -5.965 -4.730 9.712 1.00 0.00 C ATOM 361 O2' C A 12 -6.491 -5.992 9.278 1.00 0.00 O ATOM 362 C1' C A 12 -5.826 -3.770 8.536 1.00 0.00 C ATOM 363 N1 C A 12 -4.514 -3.079 8.554 1.00 0.00 N ATOM 364 C2 C A 12 -3.494 -3.615 7.785 1.00 0.00 C ATOM 365 O2 C A 12 -3.684 -4.634 7.132 1.00 0.00 O ATOM 366 N3 C A 12 -2.289 -2.987 7.777 1.00 0.00 N ATOM 367 C4 C A 12 -2.083 -1.881 8.491 1.00 0.00 C ATOM 368 N4 C A 12 -0.888 -1.297 8.448 1.00 0.00 N ATOM 369 C5 C A 12 -3.126 -1.319 9.291 1.00 0.00 C ATOM 370 C6 C A 12 -4.322 -1.948 9.293 1.00 0.00 C ATOM 0 H5' C A 12 -8.741 -1.227 9.886 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.721 -2.119 11.394 1.00 0.00 H new ATOM 0 H4' C A 12 -8.659 -3.597 9.461 1.00 0.00 H new ATOM 0 H3' C A 12 -6.398 -3.516 11.442 1.00 0.00 H new ATOM 0 H2' C A 12 -5.006 -4.942 10.184 1.00 0.00 H new ATOM 0 HO2' C A 12 -7.282 -6.217 9.810 1.00 0.00 H new ATOM 0 HO3' C A 12 -7.201 -5.590 11.887 1.00 0.00 H new ATOM 0 H1' C A 12 -5.876 -4.323 7.598 1.00 0.00 H new ATOM 0 H41 C A 12 -0.715 -0.450 8.989 1.00 0.00 H new ATOM 0 H42 C A 12 -0.145 -1.697 7.874 1.00 0.00 H new ATOM 0 H5 C A 12 -2.964 -0.424 9.873 1.00 0.00 H new ATOM 0 H6 C A 12 -5.134 -1.552 9.885 1.00 0.00 H new TER 383 C A 12