USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 hydrogens (0 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 -29:sc= 0.0657 USER MOD Single : A 1 G O5' : rot 180:sc= -0.649 USER MOD Single : A 2 G O2' : rot -29:sc= 0.0597 USER MOD Single : A 3 U O2' : rot -17:sc= 0.083 USER MOD Single : A 4 A O2' : rot 180:sc= -1.08 USER MOD Single : A 5 U O2' : rot -19:sc= 0.105 USER MOD Single : A 6 C O2' : rot -169:sc= -1.95! USER MOD Single : A 7 A O2' : rot -152:sc= 1.85 USER MOD Single : A 8 C O2' : rot 140:sc= 0.712 USER MOD Single : A 9 G O2' : rot -20:sc= 0.108 USER MOD Single : A 10 G O2' : rot -28:sc= 0.103 USER MOD Single : A 11 U O2' : rot -17:sc= 0.0772 USER MOD Single : A 12 A O2' : rot -19:sc= 0.0876 USER MOD Single : A 13 C O2' : rot -17:sc= -0.0196 USER MOD Single : A 14 C O2' : rot -22:sc= 0.118 USER MOD Single : A 14 C O3' : rot 180:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -9.365 -5.579 -0.647 1.00 0.00 O ATOM 2 C5' G A 1 -9.981 -6.629 -1.397 1.00 0.00 C ATOM 3 C4' G A 1 -10.079 -6.254 -2.857 1.00 0.00 C ATOM 4 O4' G A 1 -10.911 -5.069 -2.984 1.00 0.00 O ATOM 5 C3' G A 1 -8.764 -5.865 -3.517 1.00 0.00 C ATOM 6 O3' G A 1 -8.049 -7.010 -3.970 1.00 0.00 O ATOM 7 C2' G A 1 -9.232 -4.967 -4.654 1.00 0.00 C ATOM 8 O2' G A 1 -9.771 -5.727 -5.719 1.00 0.00 O ATOM 9 C1' G A 1 -10.370 -4.209 -3.972 1.00 0.00 C ATOM 10 N9 G A 1 -9.937 -2.979 -3.315 1.00 0.00 N ATOM 11 C8 G A 1 -9.685 -2.807 -1.977 1.00 0.00 C ATOM 12 N7 G A 1 -9.308 -1.595 -1.675 1.00 0.00 N ATOM 13 C5 G A 1 -9.311 -0.924 -2.890 1.00 0.00 C ATOM 14 C6 G A 1 -8.988 0.424 -3.194 1.00 0.00 C ATOM 15 O6 G A 1 -8.625 1.322 -2.425 1.00 0.00 O ATOM 16 N1 G A 1 -9.123 0.688 -4.553 1.00 0.00 N ATOM 17 C2 G A 1 -9.520 -0.227 -5.499 1.00 0.00 C ATOM 18 N2 G A 1 -9.590 0.220 -6.761 1.00 0.00 N ATOM 19 N3 G A 1 -9.824 -1.486 -5.228 1.00 0.00 N ATOM 20 C4 G A 1 -9.698 -1.764 -3.913 1.00 0.00 C ATOM 0 H5' G A 1 -10.976 -6.831 -1.000 1.00 0.00 H new ATOM 0 H5'' G A 1 -9.403 -7.547 -1.290 1.00 0.00 H new ATOM 0 H4' G A 1 -10.467 -7.150 -3.342 1.00 0.00 H new ATOM 0 H3' G A 1 -8.058 -5.369 -2.851 1.00 0.00 H new ATOM 0 H2' G A 1 -8.438 -4.355 -5.081 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.346 -6.610 -5.738 1.00 0.00 H new ATOM 0 HO5' G A 1 -9.312 -5.839 0.296 1.00 0.00 H new ATOM 0 H1' G A 1 -11.091 -3.924 -4.738 1.00 0.00 H new ATOM 0 H8 G A 1 -9.788 -3.596 -1.247 1.00 0.00 H new ATOM 0 H1 G A 1 -8.911 1.633 -4.872 1.00 0.00 H new ATOM 0 H21 G A 1 -9.878 -0.410 -7.510 1.00 0.00 H new ATOM 0 H22 G A 1 -9.355 1.190 -6.972 1.00 0.00 H new ATOM 32 P G A 2 -6.441 -6.982 -4.017 1.00 0.00 P ATOM 33 OP1 G A 2 -5.986 -8.363 -4.322 1.00 0.00 O ATOM 34 OP2 G A 2 -5.947 -6.302 -2.793 1.00 0.00 O ATOM 35 O5' G A 2 -6.094 -6.063 -5.272 1.00 0.00 O ATOM 36 C5' G A 2 -6.328 -6.524 -6.599 1.00 0.00 C ATOM 37 C4' G A 2 -5.892 -5.482 -7.602 1.00 0.00 C ATOM 38 O4' G A 2 -6.707 -4.289 -7.440 1.00 0.00 O ATOM 39 C3' G A 2 -4.463 -4.977 -7.452 1.00 0.00 C ATOM 40 O3' G A 2 -3.527 -5.845 -8.082 1.00 0.00 O ATOM 41 C2' G A 2 -4.542 -3.615 -8.127 1.00 0.00 C ATOM 42 O2' G A 2 -4.581 -3.742 -9.535 1.00 0.00 O ATOM 43 C1' G A 2 -5.908 -3.136 -7.641 1.00 0.00 C ATOM 44 N9 G A 2 -5.857 -2.391 -6.387 1.00 0.00 N ATOM 45 C8 G A 2 -6.130 -2.870 -5.129 1.00 0.00 C ATOM 46 N7 G A 2 -6.024 -1.963 -4.198 1.00 0.00 N ATOM 47 C5 G A 2 -5.643 -0.816 -4.881 1.00 0.00 C ATOM 48 C6 G A 2 -5.370 0.489 -4.400 1.00 0.00 C ATOM 49 O6 G A 2 -5.414 0.907 -3.238 1.00 0.00 O ATOM 50 N1 G A 2 -5.014 1.350 -5.433 1.00 0.00 N ATOM 51 C2 G A 2 -4.933 1.002 -6.759 1.00 0.00 C ATOM 52 N2 G A 2 -4.572 1.977 -7.605 1.00 0.00 N ATOM 53 N3 G A 2 -5.187 -0.212 -7.221 1.00 0.00 N ATOM 54 C4 G A 2 -5.533 -1.064 -6.233 1.00 0.00 C ATOM 0 H5' G A 2 -7.387 -6.746 -6.732 1.00 0.00 H new ATOM 0 H5'' G A 2 -5.784 -7.453 -6.770 1.00 0.00 H new ATOM 0 H4' G A 2 -5.990 -5.990 -8.562 1.00 0.00 H new ATOM 0 H3' G A 2 -4.114 -4.928 -6.420 1.00 0.00 H new ATOM 0 H2' G A 2 -3.698 -2.964 -7.900 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.105 -4.555 -9.803 1.00 0.00 H new ATOM 0 H1' G A 2 -6.311 -2.457 -8.393 1.00 0.00 H new ATOM 0 H8 G A 2 -6.405 -3.895 -4.931 1.00 0.00 H new ATOM 0 H1 G A 2 -4.796 2.315 -5.186 1.00 0.00 H new ATOM 0 H21 G A 2 -4.493 1.783 -8.603 1.00 0.00 H new ATOM 0 H22 G A 2 -4.376 2.913 -7.250 1.00 0.00 H new ATOM 66 P U A 3 -2.034 -5.969 -7.497 1.00 0.00 P ATOM 67 OP1 U A 3 -1.319 -6.979 -8.316 1.00 0.00 O ATOM 68 OP2 U A 3 -2.123 -6.147 -6.025 1.00 0.00 O ATOM 69 O5' U A 3 -1.387 -4.544 -7.791 1.00 0.00 O ATOM 70 C5' U A 3 -1.084 -4.139 -9.121 1.00 0.00 C ATOM 71 C4' U A 3 -0.599 -2.709 -9.130 1.00 0.00 C ATOM 72 O4' U A 3 -1.638 -1.859 -8.578 1.00 0.00 O ATOM 73 C3' U A 3 0.613 -2.409 -8.261 1.00 0.00 C ATOM 74 O3' U A 3 1.833 -2.734 -8.919 1.00 0.00 O ATOM 75 C2' U A 3 0.471 -0.912 -8.019 1.00 0.00 C ATOM 76 O2' U A 3 0.891 -0.169 -9.147 1.00 0.00 O ATOM 77 C1' U A 3 -1.046 -0.774 -7.884 1.00 0.00 C ATOM 78 N1 U A 3 -1.517 -0.794 -6.492 1.00 0.00 N ATOM 79 C2 U A 3 -1.379 0.367 -5.754 1.00 0.00 C ATOM 80 O2 U A 3 -0.871 1.379 -6.204 1.00 0.00 O ATOM 81 N3 U A 3 -1.857 0.297 -4.469 1.00 0.00 N ATOM 82 C4 U A 3 -2.446 -0.791 -3.861 1.00 0.00 C ATOM 83 O4 U A 3 -2.829 -0.701 -2.694 1.00 0.00 O ATOM 84 C5 U A 3 -2.545 -1.951 -4.689 1.00 0.00 C ATOM 85 C6 U A 3 -2.082 -1.921 -5.943 1.00 0.00 C ATOM 0 H5' U A 3 -1.970 -4.235 -9.749 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.321 -4.793 -9.544 1.00 0.00 H new ATOM 0 H4' U A 3 -0.337 -2.530 -10.173 1.00 0.00 H new ATOM 0 H3' U A 3 0.648 -2.995 -7.342 1.00 0.00 H new ATOM 0 H2' U A 3 1.058 -0.554 -7.173 1.00 0.00 H new ATOM 0 HO2' U A 3 1.434 -0.739 -9.730 1.00 0.00 H new ATOM 0 H1' U A 3 -1.329 0.195 -8.296 1.00 0.00 H new ATOM 0 H3 U A 3 -1.767 1.141 -3.903 1.00 0.00 H new ATOM 0 H5 U A 3 -2.994 -2.853 -4.302 1.00 0.00 H new ATOM 0 H6 U A 3 -2.154 -2.814 -6.546 1.00 0.00 H new ATOM 96 P A A 4 3.132 -3.113 -8.050 1.00 0.00 P ATOM 97 OP1 A A 4 4.194 -3.530 -9.000 1.00 0.00 O ATOM 98 OP2 A A 4 2.714 -4.036 -6.965 1.00 0.00 O ATOM 99 O5' A A 4 3.575 -1.733 -7.388 1.00 0.00 O ATOM 100 C5' A A 4 4.150 -0.694 -8.176 1.00 0.00 C ATOM 101 C4' A A 4 4.453 0.508 -7.312 1.00 0.00 C ATOM 102 O4' A A 4 3.217 0.981 -6.713 1.00 0.00 O ATOM 103 C3' A A 4 5.367 0.250 -6.123 1.00 0.00 C ATOM 104 O3' A A 4 6.743 0.311 -6.479 1.00 0.00 O ATOM 105 C2' A A 4 4.982 1.374 -5.171 1.00 0.00 C ATOM 106 O2' A A 4 5.567 2.601 -5.565 1.00 0.00 O ATOM 107 C1' A A 4 3.475 1.457 -5.403 1.00 0.00 C ATOM 108 N9 A A 4 2.697 0.659 -4.457 1.00 0.00 N ATOM 109 C8 A A 4 2.195 -0.608 -4.626 1.00 0.00 C ATOM 110 N7 A A 4 1.524 -1.052 -3.591 1.00 0.00 N ATOM 111 C5 A A 4 1.596 -0.012 -2.675 1.00 0.00 C ATOM 112 C6 A A 4 1.087 0.141 -1.374 1.00 0.00 C ATOM 113 N6 A A 4 0.375 -0.795 -0.742 1.00 0.00 N ATOM 114 N1 A A 4 1.339 1.303 -0.734 1.00 0.00 N ATOM 115 C2 A A 4 2.055 2.242 -1.367 1.00 0.00 C ATOM 116 N3 A A 4 2.586 2.215 -2.587 1.00 0.00 N ATOM 117 C4 A A 4 2.317 1.048 -3.195 1.00 0.00 C ATOM 0 H5' A A 4 3.465 -0.413 -8.976 1.00 0.00 H new ATOM 0 H5'' A A 4 5.065 -1.050 -8.650 1.00 0.00 H new ATOM 0 H4' A A 4 4.945 1.205 -7.990 1.00 0.00 H new ATOM 0 H3' A A 4 5.248 -0.746 -5.697 1.00 0.00 H new ATOM 0 H2' A A 4 5.295 1.196 -4.142 1.00 0.00 H new ATOM 0 HO2' A A 4 5.302 3.306 -4.938 1.00 0.00 H new ATOM 0 H1' A A 4 3.173 2.495 -5.264 1.00 0.00 H new ATOM 0 H8 A A 4 2.340 -1.185 -5.528 1.00 0.00 H new ATOM 0 H61 A A 4 0.033 -0.624 0.203 1.00 0.00 H new ATOM 0 H62 A A 4 0.173 -1.681 -1.205 1.00 0.00 H new ATOM 0 H2 A A 4 2.225 3.150 -0.808 1.00 0.00 H new ATOM 129 P U A 5 7.814 -0.584 -5.681 1.00 0.00 P ATOM 130 OP1 U A 5 9.140 -0.354 -6.308 1.00 0.00 O ATOM 131 OP2 U A 5 7.280 -1.966 -5.579 1.00 0.00 O ATOM 132 O5' U A 5 7.842 0.048 -4.218 1.00 0.00 O ATOM 133 C5' U A 5 8.135 1.427 -4.015 1.00 0.00 C ATOM 134 C4' U A 5 7.899 1.799 -2.570 1.00 0.00 C ATOM 135 O4' U A 5 6.467 1.819 -2.323 1.00 0.00 O ATOM 136 C3' U A 5 8.456 0.814 -1.551 1.00 0.00 C ATOM 137 O3' U A 5 9.807 1.111 -1.219 1.00 0.00 O ATOM 138 C2' U A 5 7.523 0.995 -0.361 1.00 0.00 C ATOM 139 O2' U A 5 7.859 2.151 0.381 1.00 0.00 O ATOM 140 C1' U A 5 6.187 1.239 -1.061 1.00 0.00 C ATOM 141 N1 U A 5 5.403 0.016 -1.284 1.00 0.00 N ATOM 142 C2 U A 5 4.433 -0.313 -0.353 1.00 0.00 C ATOM 143 O2 U A 5 4.210 0.363 0.640 1.00 0.00 O ATOM 144 N3 U A 5 3.732 -1.461 -0.629 1.00 0.00 N ATOM 145 C4 U A 5 3.899 -2.296 -1.714 1.00 0.00 C ATOM 146 O4 U A 5 3.189 -3.296 -1.825 1.00 0.00 O ATOM 147 C5 U A 5 4.920 -1.886 -2.626 1.00 0.00 C ATOM 148 C6 U A 5 5.625 -0.776 -2.388 1.00 0.00 C ATOM 0 H5' U A 5 7.509 2.039 -4.664 1.00 0.00 H new ATOM 0 H5'' U A 5 9.171 1.631 -4.287 1.00 0.00 H new ATOM 0 H4' U A 5 8.404 2.757 -2.442 1.00 0.00 H new ATOM 0 H3' U A 5 8.486 -0.213 -1.915 1.00 0.00 H new ATOM 0 H2' U A 5 7.547 0.158 0.336 1.00 0.00 H new ATOM 0 HO2' U A 5 8.776 2.422 0.167 1.00 0.00 H new ATOM 0 H1' U A 5 5.591 1.883 -0.415 1.00 0.00 H new ATOM 0 H3 U A 5 3.010 -1.725 0.041 1.00 0.00 H new ATOM 0 H5 U A 5 5.122 -2.474 -3.509 1.00 0.00 H new ATOM 0 H6 U A 5 6.397 -0.490 -3.087 1.00 0.00 H new ATOM 159 P C A 6 10.602 0.164 -0.191 1.00 0.00 P ATOM 160 OP1 C A 6 11.722 0.963 0.368 1.00 0.00 O ATOM 161 OP2 C A 6 10.889 -1.126 -0.869 1.00 0.00 O ATOM 162 O5' C A 6 9.555 -0.107 0.978 1.00 0.00 O ATOM 163 C5' C A 6 9.769 0.413 2.288 1.00 0.00 C ATOM 164 C4' C A 6 8.707 -0.101 3.232 1.00 0.00 C ATOM 165 O4' C A 6 7.445 -0.191 2.521 1.00 0.00 O ATOM 166 C3' C A 6 8.937 -1.506 3.768 1.00 0.00 C ATOM 167 O3' C A 6 9.780 -1.502 4.914 1.00 0.00 O ATOM 168 C2' C A 6 7.526 -1.974 4.101 1.00 0.00 C ATOM 169 O2' C A 6 7.099 -1.463 5.346 1.00 0.00 O ATOM 170 C1' C A 6 6.707 -1.303 2.998 1.00 0.00 C ATOM 171 N1 C A 6 6.428 -2.196 1.864 1.00 0.00 N ATOM 172 C2 C A 6 5.175 -2.809 1.774 1.00 0.00 C ATOM 173 O2 C A 6 4.330 -2.577 2.652 1.00 0.00 O ATOM 174 N3 C A 6 4.918 -3.638 0.737 1.00 0.00 N ATOM 175 C4 C A 6 5.856 -3.861 -0.187 1.00 0.00 C ATOM 176 N4 C A 6 5.559 -4.688 -1.192 1.00 0.00 N ATOM 177 C5 C A 6 7.140 -3.246 -0.122 1.00 0.00 C ATOM 178 C6 C A 6 7.379 -2.428 0.912 1.00 0.00 C ATOM 0 H5' C A 6 9.747 1.502 2.263 1.00 0.00 H new ATOM 0 H5'' C A 6 10.756 0.122 2.646 1.00 0.00 H new ATOM 0 H4' C A 6 8.724 0.603 4.064 1.00 0.00 H new ATOM 0 H3' C A 6 9.448 -2.159 3.060 1.00 0.00 H new ATOM 0 H2' C A 6 7.440 -3.059 4.158 1.00 0.00 H new ATOM 0 HO2' C A 6 6.269 -1.909 5.616 1.00 0.00 H new ATOM 0 H1' C A 6 5.747 -1.013 3.426 1.00 0.00 H new ATOM 0 H41 C A 6 6.252 -4.881 -1.915 1.00 0.00 H new ATOM 0 H42 C A 6 4.639 -5.127 -1.236 1.00 0.00 H new ATOM 0 H5 C A 6 7.890 -3.432 -0.876 1.00 0.00 H new ATOM 0 H6 C A 6 8.341 -1.944 0.994 1.00 0.00 H new ATOM 190 P A A 7 10.497 -2.864 5.381 1.00 0.00 P ATOM 191 OP1 A A 7 11.846 -2.501 5.886 1.00 0.00 O ATOM 192 OP2 A A 7 10.367 -3.865 4.292 1.00 0.00 O ATOM 193 O5' A A 7 9.626 -3.360 6.619 1.00 0.00 O ATOM 194 C5' A A 7 9.892 -4.614 7.243 1.00 0.00 C ATOM 195 C4' A A 7 9.191 -4.693 8.580 1.00 0.00 C ATOM 196 O4' A A 7 9.183 -3.365 9.178 1.00 0.00 O ATOM 197 C3' A A 7 7.728 -5.124 8.522 1.00 0.00 C ATOM 198 O3' A A 7 7.368 -5.890 9.668 1.00 0.00 O ATOM 199 C2' A A 7 6.980 -3.798 8.464 1.00 0.00 C ATOM 200 O2' A A 7 5.694 -3.906 9.044 1.00 0.00 O ATOM 201 C1' A A 7 7.851 -2.935 9.369 1.00 0.00 C ATOM 202 N9 A A 7 7.783 -1.503 9.079 1.00 0.00 N ATOM 203 C8 A A 7 7.887 -0.885 7.857 1.00 0.00 C ATOM 204 N7 A A 7 7.787 0.421 7.915 1.00 0.00 N ATOM 205 C5 A A 7 7.605 0.681 9.266 1.00 0.00 C ATOM 206 C6 A A 7 7.433 1.877 9.984 1.00 0.00 C ATOM 207 N6 A A 7 7.416 3.086 9.417 1.00 0.00 N ATOM 208 N1 A A 7 7.277 1.789 11.323 1.00 0.00 N ATOM 209 C2 A A 7 7.294 0.577 11.892 1.00 0.00 C ATOM 210 N3 A A 7 7.447 -0.617 11.324 1.00 0.00 N ATOM 211 C4 A A 7 7.600 -0.494 9.994 1.00 0.00 C ATOM 0 H5' A A 7 10.966 -4.739 7.380 1.00 0.00 H new ATOM 0 H5'' A A 7 9.556 -5.427 6.600 1.00 0.00 H new ATOM 0 H4' A A 7 9.743 -5.445 9.144 1.00 0.00 H new ATOM 0 H3' A A 7 7.502 -5.772 7.675 1.00 0.00 H new ATOM 0 H2' A A 7 6.830 -3.428 7.450 1.00 0.00 H new ATOM 0 HO2' A A 7 5.092 -3.253 8.629 1.00 0.00 H new ATOM 0 H1' A A 7 7.493 -3.054 10.391 1.00 0.00 H new ATOM 0 H8 A A 7 8.037 -1.425 6.934 1.00 0.00 H new ATOM 0 H61 A A 7 7.287 3.918 9.993 1.00 0.00 H new ATOM 0 H62 A A 7 7.532 3.178 8.408 1.00 0.00 H new ATOM 0 H2 A A 7 7.165 0.567 12.964 1.00 0.00 H new ATOM 223 P C A 8 6.640 -7.312 9.485 1.00 0.00 P ATOM 224 OP1 C A 8 6.028 -7.668 10.790 1.00 0.00 O ATOM 225 OP2 C A 8 7.601 -8.247 8.846 1.00 0.00 O ATOM 226 O5' C A 8 5.469 -7.014 8.447 1.00 0.00 O ATOM 227 C5' C A 8 4.136 -6.774 8.891 1.00 0.00 C ATOM 228 C4' C A 8 3.152 -7.187 7.823 1.00 0.00 C ATOM 229 O4' C A 8 3.582 -6.614 6.555 1.00 0.00 O ATOM 230 C3' C A 8 3.060 -8.690 7.574 1.00 0.00 C ATOM 231 O3' C A 8 1.761 -9.081 7.144 1.00 0.00 O ATOM 232 C2' C A 8 4.089 -8.907 6.475 1.00 0.00 C ATOM 233 O2' C A 8 3.774 -10.039 5.686 1.00 0.00 O ATOM 234 C1' C A 8 3.871 -7.652 5.639 1.00 0.00 C ATOM 235 N1 C A 8 5.034 -7.259 4.830 1.00 0.00 N ATOM 236 C2 C A 8 5.237 -7.884 3.597 1.00 0.00 C ATOM 237 O2 C A 8 4.428 -8.745 3.222 1.00 0.00 O ATOM 238 N3 C A 8 6.307 -7.536 2.847 1.00 0.00 N ATOM 239 C4 C A 8 7.156 -6.604 3.288 1.00 0.00 C ATOM 240 N4 C A 8 8.199 -6.294 2.515 1.00 0.00 N ATOM 241 C5 C A 8 6.973 -5.950 4.542 1.00 0.00 C ATOM 242 C6 C A 8 5.907 -6.303 5.271 1.00 0.00 C ATOM 0 H5' C A 8 4.007 -5.718 9.126 1.00 0.00 H new ATOM 0 H5'' C A 8 3.944 -7.331 9.808 1.00 0.00 H new ATOM 0 H4' C A 8 2.182 -6.840 8.180 1.00 0.00 H new ATOM 0 H3' C A 8 3.243 -9.281 8.471 1.00 0.00 H new ATOM 0 H2' C A 8 5.101 -9.069 6.847 1.00 0.00 H new ATOM 0 HO2' C A 8 3.956 -9.842 4.743 1.00 0.00 H new ATOM 0 H1' C A 8 3.068 -7.847 4.928 1.00 0.00 H new ATOM 0 H41 C A 8 8.868 -5.587 2.820 1.00 0.00 H new ATOM 0 H42 C A 8 8.327 -6.764 1.619 1.00 0.00 H new ATOM 0 H5 C A 8 7.667 -5.199 4.890 1.00 0.00 H new ATOM 0 H6 C A 8 5.733 -5.825 6.224 1.00 0.00 H new ATOM 254 P G A 9 0.557 -9.160 8.204 1.00 0.00 P ATOM 255 OP1 G A 9 0.956 -8.379 9.402 1.00 0.00 O ATOM 256 OP2 G A 9 0.163 -10.584 8.354 1.00 0.00 O ATOM 257 O5' G A 9 -0.634 -8.388 7.479 1.00 0.00 O ATOM 258 C5' G A 9 -0.535 -6.997 7.189 1.00 0.00 C ATOM 259 C4' G A 9 -0.647 -6.196 8.464 1.00 0.00 C ATOM 260 O4' G A 9 0.681 -5.929 8.982 1.00 0.00 O ATOM 261 C3' G A 9 -1.268 -4.815 8.324 1.00 0.00 C ATOM 262 O3' G A 9 -2.690 -4.875 8.335 1.00 0.00 O ATOM 263 C2' G A 9 -0.715 -4.075 9.537 1.00 0.00 C ATOM 264 O2' G A 9 -1.448 -4.391 10.705 1.00 0.00 O ATOM 265 C1' G A 9 0.683 -4.686 9.662 1.00 0.00 C ATOM 266 N9 G A 9 1.738 -3.852 9.098 1.00 0.00 N ATOM 267 C8 G A 9 2.488 -2.914 9.762 1.00 0.00 C ATOM 268 N7 G A 9 3.357 -2.312 8.998 1.00 0.00 N ATOM 269 C5 G A 9 3.173 -2.892 7.750 1.00 0.00 C ATOM 270 C6 G A 9 3.831 -2.647 6.517 1.00 0.00 C ATOM 271 O6 G A 9 4.734 -1.839 6.273 1.00 0.00 O ATOM 272 N1 G A 9 3.336 -3.461 5.503 1.00 0.00 N ATOM 273 C2 G A 9 2.332 -4.387 5.653 1.00 0.00 C ATOM 274 N2 G A 9 1.990 -5.074 4.554 1.00 0.00 N ATOM 275 N3 G A 9 1.709 -4.623 6.796 1.00 0.00 N ATOM 276 C4 G A 9 2.177 -3.846 7.795 1.00 0.00 C ATOM 0 H5' G A 9 -1.323 -6.704 6.495 1.00 0.00 H new ATOM 0 H5'' G A 9 0.415 -6.786 6.699 1.00 0.00 H new ATOM 0 H4' G A 9 -1.284 -6.812 9.099 1.00 0.00 H new ATOM 0 H3' G A 9 -1.028 -4.325 7.380 1.00 0.00 H new ATOM 0 H2' G A 9 -0.747 -2.991 9.428 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.325 -4.748 10.454 1.00 0.00 H new ATOM 0 H1' G A 9 0.897 -4.791 10.726 1.00 0.00 H new ATOM 0 H8 G A 9 2.370 -2.696 10.813 1.00 0.00 H new ATOM 0 H1 G A 9 3.751 -3.363 4.576 1.00 0.00 H new ATOM 0 H21 G A 9 1.251 -5.776 4.601 1.00 0.00 H new ATOM 0 H22 G A 9 2.468 -4.895 3.671 1.00 0.00 H new ATOM 288 P G A 10 -3.545 -3.620 7.808 1.00 0.00 P ATOM 289 OP1 G A 10 -4.917 -3.755 8.360 1.00 0.00 O ATOM 290 OP2 G A 10 -3.352 -3.506 6.340 1.00 0.00 O ATOM 291 O5' G A 10 -2.856 -2.362 8.502 1.00 0.00 O ATOM 292 C5' G A 10 -2.916 -1.070 7.903 1.00 0.00 C ATOM 293 C4' G A 10 -1.731 -0.241 8.338 1.00 0.00 C ATOM 294 O4' G A 10 -0.520 -1.016 8.125 1.00 0.00 O ATOM 295 C3' G A 10 -1.516 1.045 7.550 1.00 0.00 C ATOM 296 O3' G A 10 -2.254 2.128 8.109 1.00 0.00 O ATOM 297 C2' G A 10 -0.011 1.257 7.660 1.00 0.00 C ATOM 298 O2' G A 10 0.337 1.812 8.914 1.00 0.00 O ATOM 299 C1' G A 10 0.500 -0.182 7.608 1.00 0.00 C ATOM 300 N9 G A 10 0.823 -0.642 6.261 1.00 0.00 N ATOM 301 C8 G A 10 0.461 -1.838 5.691 1.00 0.00 C ATOM 302 N7 G A 10 0.894 -1.977 4.468 1.00 0.00 N ATOM 303 C5 G A 10 1.584 -0.800 4.213 1.00 0.00 C ATOM 304 C6 G A 10 2.274 -0.374 3.049 1.00 0.00 C ATOM 305 O6 G A 10 2.415 -0.970 1.976 1.00 0.00 O ATOM 306 N1 G A 10 2.835 0.888 3.219 1.00 0.00 N ATOM 307 C2 G A 10 2.742 1.644 4.362 1.00 0.00 C ATOM 308 N2 G A 10 3.351 2.838 4.332 1.00 0.00 N ATOM 309 N3 G A 10 2.100 1.259 5.454 1.00 0.00 N ATOM 310 C4 G A 10 1.550 0.035 5.311 1.00 0.00 C ATOM 0 H5' G A 10 -3.843 -0.571 8.187 1.00 0.00 H new ATOM 0 H5'' G A 10 -2.925 -1.164 6.817 1.00 0.00 H new ATOM 0 H4' G A 10 -1.938 0.019 9.376 1.00 0.00 H new ATOM 0 H3' G A 10 -1.861 0.987 6.518 1.00 0.00 H new ATOM 0 H2' G A 10 0.386 1.929 6.899 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.415 2.338 9.259 1.00 0.00 H new ATOM 0 H1' G A 10 1.422 -0.223 8.187 1.00 0.00 H new ATOM 0 H8 G A 10 -0.123 -2.588 6.203 1.00 0.00 H new ATOM 0 H1 G A 10 3.355 1.282 2.435 1.00 0.00 H new ATOM 0 H21 G A 10 3.319 3.448 5.149 1.00 0.00 H new ATOM 0 H22 G A 10 3.846 3.137 3.492 1.00 0.00 H new ATOM 322 P U A 11 -3.221 3.008 7.171 1.00 0.00 P ATOM 323 OP1 U A 11 -4.045 3.862 8.063 1.00 0.00 O ATOM 324 OP2 U A 11 -3.888 2.100 6.203 1.00 0.00 O ATOM 325 O5' U A 11 -2.222 3.952 6.366 1.00 0.00 O ATOM 326 C5' U A 11 -1.538 5.019 7.017 1.00 0.00 C ATOM 327 C4' U A 11 -0.568 5.673 6.062 1.00 0.00 C ATOM 328 O4' U A 11 0.450 4.702 5.697 1.00 0.00 O ATOM 329 C3' U A 11 -1.163 6.122 4.734 1.00 0.00 C ATOM 330 O3' U A 11 -1.721 7.429 4.820 1.00 0.00 O ATOM 331 C2' U A 11 0.041 6.070 3.802 1.00 0.00 C ATOM 332 O2' U A 11 0.885 7.189 3.992 1.00 0.00 O ATOM 333 C1' U A 11 0.759 4.825 4.320 1.00 0.00 C ATOM 334 N1 U A 11 0.349 3.586 3.644 1.00 0.00 N ATOM 335 C2 U A 11 0.837 3.355 2.372 1.00 0.00 C ATOM 336 O2 U A 11 1.576 4.136 1.796 1.00 0.00 O ATOM 337 N3 U A 11 0.428 2.176 1.800 1.00 0.00 N ATOM 338 C4 U A 11 -0.400 1.226 2.359 1.00 0.00 C ATOM 339 O4 U A 11 -0.671 0.207 1.722 1.00 0.00 O ATOM 340 C5 U A 11 -0.866 1.543 3.672 1.00 0.00 C ATOM 341 C6 U A 11 -0.490 2.684 4.258 1.00 0.00 C ATOM 0 H5' U A 11 -1.003 4.641 7.888 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.256 5.755 7.379 1.00 0.00 H new ATOM 0 H4' U A 11 -0.206 6.551 6.597 1.00 0.00 H new ATOM 0 H3' U A 11 -1.994 5.502 4.396 1.00 0.00 H new ATOM 0 H2' U A 11 -0.228 6.060 2.746 1.00 0.00 H new ATOM 0 HO2' U A 11 0.395 7.891 4.469 1.00 0.00 H new ATOM 0 H1' U A 11 1.825 4.952 4.129 1.00 0.00 H new ATOM 0 H3 U A 11 0.774 1.982 0.860 1.00 0.00 H new ATOM 0 H5 U A 11 -1.522 0.860 4.191 1.00 0.00 H new ATOM 0 H6 U A 11 -0.858 2.906 5.249 1.00 0.00 H new ATOM 352 P A A 12 -2.947 7.838 3.864 1.00 0.00 P ATOM 353 OP1 A A 12 -3.400 9.190 4.278 1.00 0.00 O ATOM 354 OP2 A A 12 -3.918 6.714 3.844 1.00 0.00 O ATOM 355 O5' A A 12 -2.290 7.957 2.418 1.00 0.00 O ATOM 356 C5' A A 12 -1.412 9.033 2.100 1.00 0.00 C ATOM 357 C4' A A 12 -0.940 8.917 0.670 1.00 0.00 C ATOM 358 O4' A A 12 -0.227 7.660 0.509 1.00 0.00 O ATOM 359 C3' A A 12 -2.040 8.865 -0.381 1.00 0.00 C ATOM 360 O3' A A 12 -2.465 10.168 -0.765 1.00 0.00 O ATOM 361 C2' A A 12 -1.365 8.119 -1.525 1.00 0.00 C ATOM 362 O2' A A 12 -0.497 8.969 -2.250 1.00 0.00 O ATOM 363 C1' A A 12 -0.523 7.102 -0.759 1.00 0.00 C ATOM 364 N9 A A 12 -1.196 5.820 -0.553 1.00 0.00 N ATOM 365 C8 A A 12 -1.860 5.383 0.567 1.00 0.00 C ATOM 366 N7 A A 12 -2.348 4.173 0.453 1.00 0.00 N ATOM 367 C5 A A 12 -1.991 3.789 -0.831 1.00 0.00 C ATOM 368 C6 A A 12 -2.216 2.611 -1.563 1.00 0.00 C ATOM 369 N6 A A 12 -2.884 1.560 -1.084 1.00 0.00 N ATOM 370 N1 A A 12 -1.725 2.549 -2.820 1.00 0.00 N ATOM 371 C2 A A 12 -1.058 3.606 -3.300 1.00 0.00 C ATOM 372 N3 A A 12 -0.784 4.768 -2.711 1.00 0.00 N ATOM 373 C4 A A 12 -1.283 4.795 -1.463 1.00 0.00 C ATOM 0 H5' A A 12 -0.556 9.025 2.775 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.924 9.984 2.246 1.00 0.00 H new ATOM 0 H4' A A 12 -0.344 9.816 0.511 1.00 0.00 H new ATOM 0 H3' A A 12 -2.953 8.381 -0.033 1.00 0.00 H new ATOM 0 H2' A A 12 -2.069 7.705 -2.247 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.732 9.904 -2.074 1.00 0.00 H new ATOM 0 H1' A A 12 0.368 6.898 -1.352 1.00 0.00 H new ATOM 0 H8 A A 12 -1.970 5.982 1.459 1.00 0.00 H new ATOM 0 H61 A A 12 -3.015 0.731 -1.664 1.00 0.00 H new ATOM 0 H62 A A 12 -3.263 1.585 -0.138 1.00 0.00 H new ATOM 0 H2 A A 12 -0.689 3.501 -4.310 1.00 0.00 H new ATOM 385 P C A 13 -3.961 10.391 -1.311 1.00 0.00 P ATOM 386 OP1 C A 13 -4.157 11.853 -1.483 1.00 0.00 O ATOM 387 OP2 C A 13 -4.893 9.623 -0.448 1.00 0.00 O ATOM 388 O5' C A 13 -3.951 9.723 -2.757 1.00 0.00 O ATOM 389 C5' C A 13 -3.244 10.326 -3.836 1.00 0.00 C ATOM 390 C4' C A 13 -3.416 9.509 -5.095 1.00 0.00 C ATOM 391 O4' C A 13 -2.826 8.197 -4.895 1.00 0.00 O ATOM 392 C3' C A 13 -4.854 9.211 -5.491 1.00 0.00 C ATOM 393 O3' C A 13 -5.432 10.281 -6.230 1.00 0.00 O ATOM 394 C2' C A 13 -4.707 7.947 -6.329 1.00 0.00 C ATOM 395 O2' C A 13 -4.250 8.249 -7.633 1.00 0.00 O ATOM 396 C1' C A 13 -3.591 7.220 -5.579 1.00 0.00 C ATOM 397 N1 C A 13 -4.084 6.244 -4.595 1.00 0.00 N ATOM 398 C2 C A 13 -4.329 4.932 -5.009 1.00 0.00 C ATOM 399 O2 C A 13 -4.138 4.634 -6.198 1.00 0.00 O ATOM 400 N3 C A 13 -4.766 4.024 -4.107 1.00 0.00 N ATOM 401 C4 C A 13 -4.961 4.387 -2.837 1.00 0.00 C ATOM 402 N4 C A 13 -5.392 3.458 -1.981 1.00 0.00 N ATOM 403 C5 C A 13 -4.727 5.720 -2.389 1.00 0.00 C ATOM 404 C6 C A 13 -4.297 6.608 -3.294 1.00 0.00 C ATOM 0 H5' C A 13 -2.186 10.406 -3.587 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.610 11.340 -3.999 1.00 0.00 H new ATOM 0 H4' C A 13 -2.952 10.118 -5.871 1.00 0.00 H new ATOM 0 H3' C A 13 -5.523 9.087 -4.640 1.00 0.00 H new ATOM 0 H2' C A 13 -5.639 7.394 -6.445 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.383 9.203 -7.814 1.00 0.00 H new ATOM 0 H1' C A 13 -3.008 6.663 -6.313 1.00 0.00 H new ATOM 0 H41 C A 13 -5.552 3.700 -1.003 1.00 0.00 H new ATOM 0 H42 C A 13 -5.562 2.506 -2.305 1.00 0.00 H new ATOM 0 H5 C A 13 -4.890 6.003 -1.359 1.00 0.00 H new ATOM 0 H6 C A 13 -4.115 7.629 -2.992 1.00 0.00 H new ATOM 416 P C A 14 -7.017 10.536 -6.156 1.00 0.00 P ATOM 417 OP1 C A 14 -7.312 11.741 -6.972 1.00 0.00 O ATOM 418 OP2 C A 14 -7.430 10.497 -4.730 1.00 0.00 O ATOM 419 O5' C A 14 -7.645 9.272 -6.894 1.00 0.00 O ATOM 420 C5' C A 14 -7.474 9.083 -8.295 1.00 0.00 C ATOM 421 C4' C A 14 -8.147 7.803 -8.734 1.00 0.00 C ATOM 422 O4' C A 14 -7.466 6.675 -8.129 1.00 0.00 O ATOM 423 C3' C A 14 -9.593 7.641 -8.293 1.00 0.00 C ATOM 424 O3' C A 14 -10.504 8.314 -9.165 1.00 0.00 O ATOM 425 C2' C A 14 -9.779 6.127 -8.317 1.00 0.00 C ATOM 426 O2' C A 14 -10.025 5.666 -9.631 1.00 0.00 O ATOM 427 C1' C A 14 -8.396 5.636 -7.882 1.00 0.00 C ATOM 428 N1 C A 14 -8.318 5.276 -6.457 1.00 0.00 N ATOM 429 C2 C A 14 -8.544 3.947 -6.083 1.00 0.00 C ATOM 430 O2 C A 14 -8.807 3.114 -6.963 1.00 0.00 O ATOM 431 N3 C A 14 -8.469 3.607 -4.776 1.00 0.00 N ATOM 432 C4 C A 14 -8.181 4.535 -3.861 1.00 0.00 C ATOM 433 N4 C A 14 -8.116 4.155 -2.583 1.00 0.00 N ATOM 434 C5 C A 14 -7.949 5.896 -4.214 1.00 0.00 C ATOM 435 C6 C A 14 -8.029 6.219 -5.512 1.00 0.00 C ATOM 0 H5' C A 14 -6.412 9.046 -8.538 1.00 0.00 H new ATOM 0 H5'' C A 14 -7.896 9.929 -8.838 1.00 0.00 H new ATOM 0 H4' C A 14 -8.108 7.844 -9.823 1.00 0.00 H new ATOM 0 H3' C A 14 -9.797 8.083 -7.318 1.00 0.00 H new ATOM 0 H2' C A 14 -10.612 5.789 -7.701 1.00 0.00 H new ATOM 0 HO2' C A 14 -10.374 6.402 -10.176 1.00 0.00 H new ATOM 0 HO3' C A 14 -11.421 8.182 -8.845 1.00 0.00 H new ATOM 0 H1' C A 14 -8.180 4.732 -8.451 1.00 0.00 H new ATOM 0 H41 C A 14 -7.898 4.839 -1.858 1.00 0.00 H new ATOM 0 H42 C A 14 -8.284 3.181 -2.331 1.00 0.00 H new ATOM 0 H5 C A 14 -7.718 6.638 -3.464 1.00 0.00 H new ATOM 0 H6 C A 14 -7.862 7.242 -5.816 1.00 0.00 H new TER 448 C A 14