USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 -24:sc= 0.118 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.233 USER MOD Single : A 3 G O2' : rot 180:sc= -0.326 USER MOD Single : A 4 G O2' : rot -29:sc=-0.00912 USER MOD Single : A 5 U O2' : rot 180:sc= -0.401 USER MOD Single : A 6 C O2' : rot 180:sc= -0.478 USER MOD Single : A 7 U O2' : rot -75:sc= 0.348 USER MOD Single : A 8 C O2' : rot -21:sc= 0.109 USER MOD Single : A 8 C O3' : rot 180:sc= 0.132 USER MOD Single : B 9 G O2' : rot 180:sc= -0.375 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.244 USER MOD Single : B 11 G O2' : rot -5:sc= 0.0697 USER MOD Single : B 12 G O2' : rot -20:sc= -0.223 USER MOD Single : B 13 U O2' : rot -16:sc= -0.198 USER MOD Single : B 14 C O2' : rot -15:sc= -0.287 USER MOD Single : B 15 U O2' : rot 180:sc= -0.426 USER MOD Single : B 16 C O2' : rot -20:sc= 0.133 USER MOD Single : B 16 C O3' : rot 180:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.163 -8.984 4.548 1.00 0.00 O ATOM 2 C5' G A 1 6.524 -9.321 4.399 1.00 0.00 C ATOM 3 C4' G A 1 7.327 -8.085 3.985 1.00 0.00 C ATOM 4 O4' G A 1 6.872 -7.557 2.741 1.00 0.00 O ATOM 5 C3' G A 1 7.193 -6.939 4.967 1.00 0.00 C ATOM 6 O3' G A 1 7.963 -7.129 6.140 1.00 0.00 O ATOM 7 C2' G A 1 7.731 -5.821 4.113 1.00 0.00 C ATOM 8 O2' G A 1 9.134 -5.937 4.016 1.00 0.00 O ATOM 9 C1' G A 1 7.126 -6.143 2.752 1.00 0.00 C ATOM 10 N9 G A 1 5.860 -5.403 2.583 1.00 0.00 N ATOM 11 C8 G A 1 4.582 -5.810 2.858 1.00 0.00 C ATOM 12 N7 G A 1 3.671 -4.920 2.582 1.00 0.00 N ATOM 13 C5 G A 1 4.398 -3.837 2.098 1.00 0.00 C ATOM 14 C6 G A 1 3.950 -2.563 1.643 1.00 0.00 C ATOM 15 O6 G A 1 2.797 -2.146 1.559 1.00 0.00 O ATOM 16 N1 G A 1 5.014 -1.750 1.269 1.00 0.00 N ATOM 17 C2 G A 1 6.342 -2.116 1.314 1.00 0.00 C ATOM 18 N2 G A 1 7.233 -1.201 0.919 1.00 0.00 N ATOM 19 N3 G A 1 6.765 -3.314 1.728 1.00 0.00 N ATOM 20 C4 G A 1 5.742 -4.121 2.107 1.00 0.00 C ATOM 0 H5' G A 1 6.633 -10.104 3.649 1.00 0.00 H new ATOM 0 H5'' G A 1 6.913 -9.721 5.336 1.00 0.00 H new ATOM 0 H4' G A 1 8.357 -8.438 3.934 1.00 0.00 H new ATOM 0 H3' G A 1 6.188 -6.788 5.360 1.00 0.00 H new ATOM 0 H2' G A 1 7.500 -4.826 4.493 1.00 0.00 H new ATOM 0 HO2' G A 1 9.474 -6.443 4.783 1.00 0.00 H new ATOM 0 HO5' G A 1 4.656 -9.780 4.811 1.00 0.00 H new ATOM 0 H1' G A 1 7.796 -5.857 1.941 1.00 0.00 H new ATOM 0 H8 G A 1 4.350 -6.782 3.267 1.00 0.00 H new ATOM 0 H1 G A 1 4.795 -0.811 0.936 1.00 0.00 H new ATOM 0 H21 G A 1 8.229 -1.420 0.932 1.00 0.00 H new ATOM 0 H22 G A 1 6.917 -0.284 0.604 1.00 0.00 H new ATOM 33 P A A 2 7.688 -6.240 7.462 1.00 0.00 P ATOM 34 OP1 A A 2 8.666 -6.641 8.497 1.00 0.00 O ATOM 35 OP2 A A 2 6.240 -6.304 7.757 1.00 0.00 O ATOM 36 O5' A A 2 8.036 -4.734 7.001 1.00 0.00 O ATOM 37 C5' A A 2 9.373 -4.279 6.932 1.00 0.00 C ATOM 38 C4' A A 2 9.385 -2.821 6.472 1.00 0.00 C ATOM 39 O4' A A 2 8.732 -2.667 5.218 1.00 0.00 O ATOM 40 C3' A A 2 8.621 -1.920 7.415 1.00 0.00 C ATOM 41 O3' A A 2 9.348 -1.642 8.600 1.00 0.00 O ATOM 42 C2' A A 2 8.445 -0.706 6.542 1.00 0.00 C ATOM 43 O2' A A 2 9.655 0.020 6.485 1.00 0.00 O ATOM 44 C1' A A 2 8.189 -1.340 5.173 1.00 0.00 C ATOM 45 N9 A A 2 6.734 -1.387 4.902 1.00 0.00 N ATOM 46 C8 A A 2 5.859 -2.437 5.032 1.00 0.00 C ATOM 47 N7 A A 2 4.626 -2.138 4.723 1.00 0.00 N ATOM 48 C5 A A 2 4.688 -0.796 4.358 1.00 0.00 C ATOM 49 C6 A A 2 3.712 0.123 3.922 1.00 0.00 C ATOM 50 N6 A A 2 2.419 -0.190 3.778 1.00 0.00 N ATOM 51 N1 A A 2 4.116 1.376 3.640 1.00 0.00 N ATOM 52 C2 A A 2 5.401 1.688 3.785 1.00 0.00 C ATOM 53 N3 A A 2 6.407 0.921 4.186 1.00 0.00 N ATOM 54 C4 A A 2 5.970 -0.332 4.461 1.00 0.00 C ATOM 0 H5' A A 2 9.944 -4.896 6.239 1.00 0.00 H new ATOM 0 H5'' A A 2 9.851 -4.369 7.907 1.00 0.00 H new ATOM 0 H4' A A 2 10.440 -2.551 6.425 1.00 0.00 H new ATOM 0 H3' A A 2 7.690 -2.340 7.795 1.00 0.00 H new ATOM 0 H2' A A 2 7.667 -0.024 6.885 1.00 0.00 H new ATOM 0 HO2' A A 2 9.537 0.808 5.915 1.00 0.00 H new ATOM 0 H1' A A 2 8.656 -0.759 4.378 1.00 0.00 H new ATOM 0 H8 A A 2 6.163 -3.420 5.360 1.00 0.00 H new ATOM 0 H61 A A 2 1.756 0.516 3.459 1.00 0.00 H new ATOM 0 H62 A A 2 2.097 -1.135 3.988 1.00 0.00 H new ATOM 0 H2 A A 2 5.662 2.708 3.543 1.00 0.00 H new ATOM 66 P G A 3 8.625 -0.984 9.887 1.00 0.00 P ATOM 67 OP1 G A 3 9.641 -0.816 10.950 1.00 0.00 O ATOM 68 OP2 G A 3 7.397 -1.761 10.164 1.00 0.00 O ATOM 69 O5' G A 3 8.185 0.478 9.382 1.00 0.00 O ATOM 70 C5' G A 3 9.130 1.519 9.240 1.00 0.00 C ATOM 71 C4' G A 3 8.413 2.754 8.696 1.00 0.00 C ATOM 72 O4' G A 3 7.789 2.462 7.451 1.00 0.00 O ATOM 73 C3' G A 3 7.299 3.218 9.597 1.00 0.00 C ATOM 74 O3' G A 3 7.785 3.946 10.714 1.00 0.00 O ATOM 75 C2' G A 3 6.546 4.101 8.629 1.00 0.00 C ATOM 76 O2' G A 3 7.201 5.345 8.496 1.00 0.00 O ATOM 77 C1' G A 3 6.674 3.341 7.313 1.00 0.00 C ATOM 78 N9 G A 3 5.431 2.584 7.081 1.00 0.00 N ATOM 79 C8 G A 3 5.162 1.256 7.297 1.00 0.00 C ATOM 80 N7 G A 3 3.929 0.918 7.035 1.00 0.00 N ATOM 81 C5 G A 3 3.337 2.110 6.621 1.00 0.00 C ATOM 82 C6 G A 3 1.997 2.379 6.212 1.00 0.00 C ATOM 83 O6 G A 3 1.054 1.597 6.121 1.00 0.00 O ATOM 84 N1 G A 3 1.821 3.722 5.893 1.00 0.00 N ATOM 85 C2 G A 3 2.808 4.683 5.949 1.00 0.00 C ATOM 86 N2 G A 3 2.465 5.925 5.597 1.00 0.00 N ATOM 87 N3 G A 3 4.062 4.432 6.325 1.00 0.00 N ATOM 88 C4 G A 3 4.254 3.131 6.647 1.00 0.00 C ATOM 0 H5' G A 3 9.929 1.216 8.563 1.00 0.00 H new ATOM 0 H5'' G A 3 9.594 1.743 10.201 1.00 0.00 H new ATOM 0 H4' G A 3 9.183 3.520 8.610 1.00 0.00 H new ATOM 0 H3' G A 3 6.710 2.422 10.053 1.00 0.00 H new ATOM 0 H2' G A 3 5.520 4.299 8.939 1.00 0.00 H new ATOM 0 HO2' G A 3 6.706 5.910 7.866 1.00 0.00 H new ATOM 0 H1' G A 3 6.828 4.008 6.465 1.00 0.00 H new ATOM 0 H8 G A 3 5.903 0.555 7.651 1.00 0.00 H new ATOM 0 H1 G A 3 0.891 4.018 5.595 1.00 0.00 H new ATOM 0 H21 G A 3 3.159 6.672 5.621 1.00 0.00 H new ATOM 0 H22 G A 3 1.509 6.126 5.304 1.00 0.00 H new ATOM 100 P G A 4 6.776 4.504 11.852 1.00 0.00 P ATOM 101 OP1 G A 4 7.593 4.978 12.991 1.00 0.00 O ATOM 102 OP2 G A 4 5.733 3.479 12.075 1.00 0.00 O ATOM 103 O5' G A 4 6.072 5.795 11.175 1.00 0.00 O ATOM 104 C5' G A 4 6.783 7.008 10.996 1.00 0.00 C ATOM 105 C4' G A 4 5.838 8.092 10.457 1.00 0.00 C ATOM 106 O4' G A 4 5.262 7.713 9.204 1.00 0.00 O ATOM 107 C3' G A 4 4.668 8.341 11.391 1.00 0.00 C ATOM 108 O3' G A 4 5.005 9.219 12.449 1.00 0.00 O ATOM 109 C2' G A 4 3.697 8.992 10.440 1.00 0.00 C ATOM 110 O2' G A 4 4.108 10.321 10.189 1.00 0.00 O ATOM 111 C1' G A 4 3.903 8.180 9.173 1.00 0.00 C ATOM 112 N9 G A 4 2.988 7.023 9.136 1.00 0.00 N ATOM 113 C8 G A 4 3.288 5.702 9.306 1.00 0.00 C ATOM 114 N7 G A 4 2.272 4.899 9.155 1.00 0.00 N ATOM 115 C5 G A 4 1.213 5.755 8.864 1.00 0.00 C ATOM 116 C6 G A 4 -0.156 5.459 8.598 1.00 0.00 C ATOM 117 O6 G A 4 -0.704 4.361 8.558 1.00 0.00 O ATOM 118 N1 G A 4 -0.897 6.614 8.372 1.00 0.00 N ATOM 119 C2 G A 4 -0.383 7.894 8.377 1.00 0.00 C ATOM 120 N2 G A 4 -1.247 8.886 8.138 1.00 0.00 N ATOM 121 N3 G A 4 0.904 8.175 8.614 1.00 0.00 N ATOM 122 C4 G A 4 1.642 7.061 8.853 1.00 0.00 C ATOM 0 H5' G A 4 7.610 6.856 10.302 1.00 0.00 H new ATOM 0 H5'' G A 4 7.216 7.329 11.943 1.00 0.00 H new ATOM 0 H4' G A 4 6.456 8.985 10.357 1.00 0.00 H new ATOM 0 H3' G A 4 4.301 7.446 11.894 1.00 0.00 H new ATOM 0 H2' G A 4 2.670 9.017 10.805 1.00 0.00 H new ATOM 0 HO2' G A 4 4.586 10.669 10.971 1.00 0.00 H new ATOM 0 H1' G A 4 3.702 8.789 8.292 1.00 0.00 H new ATOM 0 H8 G A 4 4.281 5.352 9.545 1.00 0.00 H new ATOM 0 H1 G A 4 -1.895 6.507 8.189 1.00 0.00 H new ATOM 0 H21 G A 4 -0.923 9.853 8.129 1.00 0.00 H new ATOM 0 H22 G A 4 -2.230 8.675 7.964 1.00 0.00 H new ATOM 134 P U A 5 4.143 9.241 13.813 1.00 0.00 P ATOM 135 OP1 U A 5 4.544 10.434 14.591 1.00 0.00 O ATOM 136 OP2 U A 5 4.237 7.899 14.428 1.00 0.00 O ATOM 137 O5' U A 5 2.624 9.451 13.315 1.00 0.00 O ATOM 138 C5' U A 5 2.144 10.714 12.905 1.00 0.00 C ATOM 139 C4' U A 5 0.649 10.611 12.565 1.00 0.00 C ATOM 140 O4' U A 5 0.379 9.828 11.395 1.00 0.00 O ATOM 141 C3' U A 5 -0.150 9.992 13.679 1.00 0.00 C ATOM 142 O3' U A 5 -0.398 10.904 14.731 1.00 0.00 O ATOM 143 C2' U A 5 -1.404 9.652 12.916 1.00 0.00 C ATOM 144 O2' U A 5 -2.160 10.819 12.658 1.00 0.00 O ATOM 145 C1' U A 5 -0.858 9.121 11.616 1.00 0.00 C ATOM 146 N1 U A 5 -0.582 7.670 11.716 1.00 0.00 N ATOM 147 C2 U A 5 -1.612 6.774 11.448 1.00 0.00 C ATOM 148 O2 U A 5 -2.755 7.141 11.179 1.00 0.00 O ATOM 149 N3 U A 5 -1.276 5.430 11.498 1.00 0.00 N ATOM 150 C4 U A 5 -0.022 4.913 11.788 1.00 0.00 C ATOM 151 O4 U A 5 0.167 3.701 11.800 1.00 0.00 O ATOM 152 C5 U A 5 0.981 5.919 12.057 1.00 0.00 C ATOM 153 C6 U A 5 0.672 7.236 12.009 1.00 0.00 C ATOM 0 H5' U A 5 2.702 11.062 12.036 1.00 0.00 H new ATOM 0 H5'' U A 5 2.298 11.447 13.697 1.00 0.00 H new ATOM 0 H4' U A 5 0.354 11.647 12.396 1.00 0.00 H new ATOM 0 H3' U A 5 0.330 9.155 14.186 1.00 0.00 H new ATOM 0 H2' U A 5 -2.057 8.961 13.449 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.970 10.581 12.161 1.00 0.00 H new ATOM 0 H1' U A 5 -1.571 9.265 10.804 1.00 0.00 H new ATOM 0 H3 U A 5 -2.020 4.759 11.304 1.00 0.00 H new ATOM 0 H5 U A 5 1.989 5.616 12.299 1.00 0.00 H new ATOM 0 H6 U A 5 1.445 7.963 12.209 1.00 0.00 H new ATOM 164 P C A 6 -0.882 10.381 16.178 1.00 0.00 P ATOM 165 OP1 C A 6 -1.206 11.560 17.012 1.00 0.00 O ATOM 166 OP2 C A 6 0.106 9.391 16.658 1.00 0.00 O ATOM 167 O5' C A 6 -2.250 9.602 15.856 1.00 0.00 O ATOM 168 C5' C A 6 -3.438 10.302 15.565 1.00 0.00 C ATOM 169 C4' C A 6 -4.539 9.297 15.226 1.00 0.00 C ATOM 170 O4' C A 6 -4.203 8.511 14.083 1.00 0.00 O ATOM 171 C3' C A 6 -4.769 8.304 16.345 1.00 0.00 C ATOM 172 O3' C A 6 -5.537 8.849 17.400 1.00 0.00 O ATOM 173 C2' C A 6 -5.519 7.238 15.591 1.00 0.00 C ATOM 174 O2' C A 6 -6.842 7.665 15.350 1.00 0.00 O ATOM 175 C1' C A 6 -4.774 7.208 14.260 1.00 0.00 C ATOM 176 N1 C A 6 -3.713 6.172 14.293 1.00 0.00 N ATOM 177 C2 C A 6 -4.115 4.858 14.119 1.00 0.00 C ATOM 178 O2 C A 6 -5.299 4.598 13.921 1.00 0.00 O ATOM 179 N3 C A 6 -3.173 3.879 14.176 1.00 0.00 N ATOM 180 C4 C A 6 -1.887 4.173 14.401 1.00 0.00 C ATOM 181 N4 C A 6 -0.999 3.176 14.458 1.00 0.00 N ATOM 182 C5 C A 6 -1.451 5.528 14.567 1.00 0.00 C ATOM 183 C6 C A 6 -2.396 6.491 14.498 1.00 0.00 C ATOM 0 H5' C A 6 -3.279 10.982 14.728 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.735 10.911 16.419 1.00 0.00 H new ATOM 0 H4' C A 6 -5.427 9.904 15.049 1.00 0.00 H new ATOM 0 H3' C A 6 -3.864 7.964 16.848 1.00 0.00 H new ATOM 0 H2' C A 6 -5.566 6.283 16.114 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.326 6.969 14.858 1.00 0.00 H new ATOM 0 H1' C A 6 -5.443 6.962 13.435 1.00 0.00 H new ATOM 0 H41 C A 6 -0.014 3.379 14.629 1.00 0.00 H new ATOM 0 H42 C A 6 -1.306 2.212 14.331 1.00 0.00 H new ATOM 0 H5 C A 6 -0.412 5.769 14.740 1.00 0.00 H new ATOM 0 H6 C A 6 -2.110 7.527 14.606 1.00 0.00 H new ATOM 195 P U A 7 -5.615 8.109 18.831 1.00 0.00 P ATOM 196 OP1 U A 7 -6.527 8.885 19.701 1.00 0.00 O ATOM 197 OP2 U A 7 -4.231 7.840 19.278 1.00 0.00 O ATOM 198 O5' U A 7 -6.315 6.695 18.506 1.00 0.00 O ATOM 199 C5' U A 7 -7.702 6.607 18.247 1.00 0.00 C ATOM 200 C4' U A 7 -8.090 5.135 18.089 1.00 0.00 C ATOM 201 O4' U A 7 -7.385 4.510 17.018 1.00 0.00 O ATOM 202 C3' U A 7 -7.731 4.332 19.320 1.00 0.00 C ATOM 203 O3' U A 7 -8.667 4.522 20.366 1.00 0.00 O ATOM 204 C2' U A 7 -7.768 2.931 18.765 1.00 0.00 C ATOM 205 O2' U A 7 -9.109 2.493 18.684 1.00 0.00 O ATOM 206 C1' U A 7 -7.234 3.116 17.343 1.00 0.00 C ATOM 207 N1 U A 7 -5.809 2.705 17.229 1.00 0.00 N ATOM 208 C2 U A 7 -5.552 1.349 17.073 1.00 0.00 C ATOM 209 O2 U A 7 -6.447 0.507 17.078 1.00 0.00 O ATOM 210 N3 U A 7 -4.225 0.990 16.905 1.00 0.00 N ATOM 211 C4 U A 7 -3.144 1.854 16.889 1.00 0.00 C ATOM 212 O4 U A 7 -2.002 1.420 16.752 1.00 0.00 O ATOM 213 C5 U A 7 -3.499 3.250 17.036 1.00 0.00 C ATOM 214 C6 U A 7 -4.792 3.629 17.192 1.00 0.00 C ATOM 0 H5' U A 7 -7.951 7.161 17.342 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.266 7.059 19.063 1.00 0.00 H new ATOM 0 H4' U A 7 -9.165 5.143 17.908 1.00 0.00 H new ATOM 0 H3' U A 7 -6.780 4.605 19.777 1.00 0.00 H new ATOM 0 H2' U A 7 -7.210 2.213 19.365 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.435 2.270 19.581 1.00 0.00 H new ATOM 0 H1' U A 7 -7.791 2.485 16.650 1.00 0.00 H new ATOM 0 H3 U A 7 -4.026 -0.003 16.782 1.00 0.00 H new ATOM 0 H5 U A 7 -2.723 4.001 17.021 1.00 0.00 H new ATOM 0 H6 U A 7 -5.027 4.679 17.289 1.00 0.00 H new ATOM 225 P C A 8 -8.431 3.854 21.811 1.00 0.00 P ATOM 226 OP1 C A 8 -9.511 4.304 22.716 1.00 0.00 O ATOM 227 OP2 C A 8 -7.016 4.062 22.188 1.00 0.00 O ATOM 228 O5' C A 8 -8.651 2.291 21.503 1.00 0.00 O ATOM 229 C5' C A 8 -7.912 1.315 22.196 1.00 0.00 C ATOM 230 C4' C A 8 -8.241 -0.072 21.642 1.00 0.00 C ATOM 231 O4' C A 8 -7.926 -0.168 20.248 1.00 0.00 O ATOM 232 C3' C A 8 -7.396 -1.122 22.326 1.00 0.00 C ATOM 233 O3' C A 8 -7.958 -1.563 23.543 1.00 0.00 O ATOM 234 C2' C A 8 -7.365 -2.210 21.299 1.00 0.00 C ATOM 235 O2' C A 8 -8.580 -2.929 21.302 1.00 0.00 O ATOM 236 C1' C A 8 -7.240 -1.410 20.017 1.00 0.00 C ATOM 237 N1 C A 8 -5.800 -1.162 19.749 1.00 0.00 N ATOM 238 C2 C A 8 -5.011 -2.247 19.383 1.00 0.00 C ATOM 239 O2 C A 8 -5.517 -3.356 19.228 1.00 0.00 O ATOM 240 N3 C A 8 -3.674 -2.044 19.209 1.00 0.00 N ATOM 241 C4 C A 8 -3.135 -0.828 19.377 1.00 0.00 C ATOM 242 N4 C A 8 -1.822 -0.670 19.187 1.00 0.00 N ATOM 243 C5 C A 8 -3.940 0.300 19.739 1.00 0.00 C ATOM 244 C6 C A 8 -5.261 0.078 19.908 1.00 0.00 C ATOM 0 H5' C A 8 -8.145 1.357 23.260 1.00 0.00 H new ATOM 0 H5'' C A 8 -6.845 1.514 22.095 1.00 0.00 H new ATOM 0 H4' C A 8 -9.306 -0.228 21.812 1.00 0.00 H new ATOM 0 H3' C A 8 -6.410 -0.759 22.617 1.00 0.00 H new ATOM 0 H2' C A 8 -6.576 -2.946 21.454 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.035 -2.799 22.160 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.376 -2.241 23.945 1.00 0.00 H new ATOM 0 H1' C A 8 -7.665 -1.932 19.160 1.00 0.00 H new ATOM 0 H41 C A 8 -1.396 0.248 19.311 1.00 0.00 H new ATOM 0 H42 C A 8 -1.246 -1.468 18.918 1.00 0.00 H new ATOM 0 H5 C A 8 -3.510 1.282 19.871 1.00 0.00 H new ATOM 0 H6 C A 8 -5.905 0.903 20.175 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.749 -11.115 17.087 1.00 0.00 O ATOM 259 C5' G B 9 3.098 -10.347 16.099 1.00 0.00 C ATOM 260 C4' G B 9 1.613 -10.236 16.439 1.00 0.00 C ATOM 261 O4' G B 9 1.414 -9.511 17.651 1.00 0.00 O ATOM 262 C3' G B 9 0.849 -9.457 15.387 1.00 0.00 C ATOM 263 O3' G B 9 0.571 -10.231 14.236 1.00 0.00 O ATOM 264 C2' G B 9 -0.396 -9.124 16.166 1.00 0.00 C ATOM 265 O2' G B 9 -1.215 -10.269 16.277 1.00 0.00 O ATOM 266 C1' G B 9 0.174 -8.798 17.540 1.00 0.00 C ATOM 267 N9 G B 9 0.425 -7.347 17.633 1.00 0.00 N ATOM 268 C8 G B 9 1.575 -6.654 17.364 1.00 0.00 C ATOM 269 N7 G B 9 1.474 -5.367 17.548 1.00 0.00 N ATOM 270 C5 G B 9 0.157 -5.192 17.961 1.00 0.00 C ATOM 271 C6 G B 9 -0.546 -3.999 18.301 1.00 0.00 C ATOM 272 O6 G B 9 -0.124 -2.845 18.321 1.00 0.00 O ATOM 273 N1 G B 9 -1.868 -4.263 18.640 1.00 0.00 N ATOM 274 C2 G B 9 -2.446 -5.515 18.656 1.00 0.00 C ATOM 275 N2 G B 9 -3.735 -5.580 19.000 1.00 0.00 N ATOM 276 N3 G B 9 -1.788 -6.636 18.344 1.00 0.00 N ATOM 277 C4 G B 9 -0.495 -6.400 18.006 1.00 0.00 C ATOM 0 H5' G B 9 3.225 -10.810 15.121 1.00 0.00 H new ATOM 0 H5'' G B 9 3.544 -9.354 16.042 1.00 0.00 H new ATOM 0 H4' G B 9 1.257 -11.264 16.511 1.00 0.00 H new ATOM 0 H3' G B 9 1.381 -8.597 14.980 1.00 0.00 H new ATOM 0 H2' G B 9 -0.997 -8.333 15.718 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.022 -10.046 16.786 1.00 0.00 H new ATOM 0 HO5' G B 9 4.702 -11.188 16.869 1.00 0.00 H new ATOM 0 H1' G B 9 -0.515 -9.082 18.335 1.00 0.00 H new ATOM 0 H8 G B 9 2.484 -7.131 17.029 1.00 0.00 H new ATOM 0 H1 G B 9 -2.456 -3.470 18.897 1.00 0.00 H new ATOM 0 H21 G B 9 -4.211 -6.482 19.028 1.00 0.00 H new ATOM 0 H22 G B 9 -4.244 -4.728 19.235 1.00 0.00 H new ATOM 290 P A B 10 0.066 -9.529 12.872 1.00 0.00 P ATOM 291 OP1 A B 10 -0.191 -10.591 11.875 1.00 0.00 O ATOM 292 OP2 A B 10 1.009 -8.434 12.551 1.00 0.00 O ATOM 293 O5' A B 10 -1.345 -8.868 13.276 1.00 0.00 O ATOM 294 C5' A B 10 -2.504 -9.660 13.437 1.00 0.00 C ATOM 295 C4' A B 10 -3.674 -8.759 13.838 1.00 0.00 C ATOM 296 O4' A B 10 -3.387 -8.043 15.033 1.00 0.00 O ATOM 297 C3' A B 10 -3.945 -7.690 12.804 1.00 0.00 C ATOM 298 O3' A B 10 -4.632 -8.200 11.673 1.00 0.00 O ATOM 299 C2' A B 10 -4.786 -6.738 13.612 1.00 0.00 C ATOM 300 O2' A B 10 -6.098 -7.245 13.732 1.00 0.00 O ATOM 301 C1' A B 10 -4.109 -6.805 14.982 1.00 0.00 C ATOM 302 N9 A B 10 -3.184 -5.662 15.151 1.00 0.00 N ATOM 303 C8 A B 10 -1.819 -5.619 15.006 1.00 0.00 C ATOM 304 N7 A B 10 -1.300 -4.442 15.232 1.00 0.00 N ATOM 305 C5 A B 10 -2.399 -3.648 15.550 1.00 0.00 C ATOM 306 C6 A B 10 -2.528 -2.288 15.897 1.00 0.00 C ATOM 307 N6 A B 10 -1.489 -1.449 15.983 1.00 0.00 N ATOM 308 N1 A B 10 -3.765 -1.823 16.154 1.00 0.00 N ATOM 309 C2 A B 10 -4.798 -2.657 16.071 1.00 0.00 C ATOM 310 N3 A B 10 -4.807 -3.947 15.757 1.00 0.00 N ATOM 311 C4 A B 10 -3.551 -4.384 15.504 1.00 0.00 C ATOM 0 H5' A B 10 -2.337 -10.421 14.199 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.734 -10.184 12.509 1.00 0.00 H new ATOM 0 H4' A B 10 -4.525 -9.431 13.952 1.00 0.00 H new ATOM 0 H3' A B 10 -3.053 -7.241 12.367 1.00 0.00 H new ATOM 0 H2' A B 10 -4.855 -5.738 13.183 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.642 -6.623 14.259 1.00 0.00 H new ATOM 0 H1' A B 10 -4.846 -6.754 15.784 1.00 0.00 H new ATOM 0 H8 A B 10 -1.228 -6.480 14.730 1.00 0.00 H new ATOM 0 H61 A B 10 -1.641 -0.473 16.239 1.00 0.00 H new ATOM 0 H62 A B 10 -0.545 -1.785 15.793 1.00 0.00 H new ATOM 0 H2 A B 10 -5.763 -2.225 16.289 1.00 0.00 H new ATOM 323 P G B 11 -4.733 -7.347 10.304 1.00 0.00 P ATOM 324 OP1 G B 11 -5.526 -8.130 9.330 1.00 0.00 O ATOM 325 OP2 G B 11 -3.368 -6.900 9.946 1.00 0.00 O ATOM 326 O5' G B 11 -5.588 -6.049 10.716 1.00 0.00 O ATOM 327 C5' G B 11 -6.989 -6.120 10.899 1.00 0.00 C ATOM 328 C4' G B 11 -7.488 -4.746 11.343 1.00 0.00 C ATOM 329 O4' G B 11 -6.834 -4.341 12.538 1.00 0.00 O ATOM 330 C3' G B 11 -7.172 -3.668 10.341 1.00 0.00 C ATOM 331 O3' G B 11 -8.059 -3.694 9.230 1.00 0.00 O ATOM 332 C2' G B 11 -7.383 -2.452 11.216 1.00 0.00 C ATOM 333 O2' G B 11 -8.761 -2.189 11.346 1.00 0.00 O ATOM 334 C1' G B 11 -6.854 -2.915 12.570 1.00 0.00 C ATOM 335 N9 G B 11 -5.499 -2.369 12.764 1.00 0.00 N ATOM 336 C8 G B 11 -4.278 -2.959 12.556 1.00 0.00 C ATOM 337 N7 G B 11 -3.264 -2.166 12.775 1.00 0.00 N ATOM 338 C5 G B 11 -3.857 -0.963 13.151 1.00 0.00 C ATOM 339 C6 G B 11 -3.264 0.285 13.509 1.00 0.00 C ATOM 340 O6 G B 11 -2.071 0.573 13.576 1.00 0.00 O ATOM 341 N1 G B 11 -4.229 1.242 13.804 1.00 0.00 N ATOM 342 C2 G B 11 -5.591 1.028 13.772 1.00 0.00 C ATOM 343 N2 G B 11 -6.375 2.059 14.098 1.00 0.00 N ATOM 344 N3 G B 11 -6.147 -0.138 13.443 1.00 0.00 N ATOM 345 C4 G B 11 -5.224 -1.083 13.144 1.00 0.00 C ATOM 0 H5' G B 11 -7.236 -6.873 11.647 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.478 -6.420 9.972 1.00 0.00 H new ATOM 0 H4' G B 11 -8.565 -4.856 11.468 1.00 0.00 H new ATOM 0 H3' G B 11 -6.190 -3.738 9.874 1.00 0.00 H new ATOM 0 H2' G B 11 -6.904 -1.555 10.825 1.00 0.00 H new ATOM 0 HO2' G B 11 -9.267 -2.809 10.781 1.00 0.00 H new ATOM 0 H1' G B 11 -7.476 -2.570 13.396 1.00 0.00 H new ATOM 0 H8 G B 11 -4.166 -3.986 12.240 1.00 0.00 H new ATOM 0 H1 G B 11 -3.905 2.173 14.064 1.00 0.00 H new ATOM 0 H21 G B 11 -7.389 1.951 14.090 1.00 0.00 H new ATOM 0 H22 G B 11 -5.959 2.954 14.355 1.00 0.00 H new ATOM 357 P G B 12 -7.852 -2.701 7.968 1.00 0.00 P ATOM 358 OP1 G B 12 -8.717 -3.177 6.866 1.00 0.00 O ATOM 359 OP2 G B 12 -6.397 -2.551 7.744 1.00 0.00 O ATOM 360 O5' G B 12 -8.429 -1.275 8.471 1.00 0.00 O ATOM 361 C5' G B 12 -9.825 -1.023 8.522 1.00 0.00 C ATOM 362 C4' G B 12 -10.065 0.441 8.914 1.00 0.00 C ATOM 363 O4' G B 12 -9.460 0.751 10.172 1.00 0.00 O ATOM 364 C3' G B 12 -9.449 1.399 7.914 1.00 0.00 C ATOM 365 O3' G B 12 -10.282 1.594 6.787 1.00 0.00 O ATOM 366 C2' G B 12 -9.357 2.650 8.752 1.00 0.00 C ATOM 367 O2' G B 12 -10.637 3.236 8.872 1.00 0.00 O ATOM 368 C1' G B 12 -8.952 2.095 10.108 1.00 0.00 C ATOM 369 N9 G B 12 -7.483 2.077 10.245 1.00 0.00 N ATOM 370 C8 G B 12 -6.642 1.003 10.220 1.00 0.00 C ATOM 371 N7 G B 12 -5.389 1.299 10.426 1.00 0.00 N ATOM 372 C5 G B 12 -5.398 2.680 10.599 1.00 0.00 C ATOM 373 C6 G B 12 -4.320 3.579 10.857 1.00 0.00 C ATOM 374 O6 G B 12 -3.128 3.319 10.995 1.00 0.00 O ATOM 375 N1 G B 12 -4.759 4.895 10.943 1.00 0.00 N ATOM 376 C2 G B 12 -6.071 5.300 10.818 1.00 0.00 C ATOM 377 N2 G B 12 -6.306 6.612 10.931 1.00 0.00 N ATOM 378 N3 G B 12 -7.087 4.459 10.588 1.00 0.00 N ATOM 379 C4 G B 12 -6.678 3.168 10.486 1.00 0.00 C ATOM 0 H5' G B 12 -10.299 -1.687 9.245 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.279 -1.231 7.553 1.00 0.00 H new ATOM 0 H4' G B 12 -11.148 0.557 8.953 1.00 0.00 H new ATOM 0 H3' G B 12 -8.504 1.060 7.490 1.00 0.00 H new ATOM 0 H2' G B 12 -8.681 3.402 8.345 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.217 2.905 8.155 1.00 0.00 H new ATOM 0 H1' G B 12 -9.352 2.714 10.911 1.00 0.00 H new ATOM 0 H8 G B 12 -6.985 -0.006 10.045 1.00 0.00 H new ATOM 0 H1 G B 12 -4.057 5.616 11.111 1.00 0.00 H new ATOM 0 H21 G B 12 -7.258 6.969 10.847 1.00 0.00 H new ATOM 0 H22 G B 12 -5.533 7.256 11.101 1.00 0.00 H new ATOM 391 P U B 13 -9.680 2.145 5.398 1.00 0.00 P ATOM 392 OP1 U B 13 -10.811 2.494 4.511 1.00 0.00 O ATOM 393 OP2 U B 13 -8.656 1.183 4.937 1.00 0.00 O ATOM 394 O5' U B 13 -8.926 3.506 5.813 1.00 0.00 O ATOM 395 C5' U B 13 -9.637 4.695 6.085 1.00 0.00 C ATOM 396 C4' U B 13 -8.640 5.829 6.369 1.00 0.00 C ATOM 397 O4' U B 13 -7.930 5.674 7.605 1.00 0.00 O ATOM 398 C3' U B 13 -7.591 5.945 5.298 1.00 0.00 C ATOM 399 O3' U B 13 -8.082 6.567 4.125 1.00 0.00 O ATOM 400 C2' U B 13 -6.606 6.812 6.033 1.00 0.00 C ATOM 401 O2' U B 13 -7.089 8.136 6.124 1.00 0.00 O ATOM 402 C1' U B 13 -6.599 6.192 7.409 1.00 0.00 C ATOM 403 N1 U B 13 -5.628 5.075 7.477 1.00 0.00 N ATOM 404 C2 U B 13 -4.307 5.357 7.809 1.00 0.00 C ATOM 405 O2 U B 13 -3.902 6.503 8.002 1.00 0.00 O ATOM 406 N3 U B 13 -3.461 4.264 7.914 1.00 0.00 N ATOM 407 C4 U B 13 -3.813 2.938 7.714 1.00 0.00 C ATOM 408 O4 U B 13 -2.980 2.045 7.833 1.00 0.00 O ATOM 409 C5 U B 13 -5.203 2.744 7.369 1.00 0.00 C ATOM 410 C6 U B 13 -6.045 3.798 7.267 1.00 0.00 C ATOM 0 H5' U B 13 -10.295 4.551 6.942 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.270 4.956 5.237 1.00 0.00 H new ATOM 0 H4' U B 13 -9.269 6.718 6.410 1.00 0.00 H new ATOM 0 H3' U B 13 -7.199 5.000 4.923 1.00 0.00 H new ATOM 0 H2' U B 13 -5.629 6.861 5.553 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.822 8.261 5.486 1.00 0.00 H new ATOM 0 H1' U B 13 -6.316 6.922 8.167 1.00 0.00 H new ATOM 0 H3 U B 13 -2.490 4.453 8.161 1.00 0.00 H new ATOM 0 H5 U B 13 -5.574 1.746 7.190 1.00 0.00 H new ATOM 0 H6 U B 13 -7.079 3.620 7.011 1.00 0.00 H new ATOM 421 P C B 14 -7.272 6.455 2.735 1.00 0.00 P ATOM 422 OP1 C B 14 -7.953 7.306 1.733 1.00 0.00 O ATOM 423 OP2 C B 14 -7.049 5.021 2.450 1.00 0.00 O ATOM 424 O5' C B 14 -5.850 7.121 3.077 1.00 0.00 O ATOM 425 C5' C B 14 -5.714 8.517 3.208 1.00 0.00 C ATOM 426 C4' C B 14 -4.277 8.846 3.613 1.00 0.00 C ATOM 427 O4' C B 14 -3.935 8.260 4.871 1.00 0.00 O ATOM 428 C3' C B 14 -3.260 8.305 2.630 1.00 0.00 C ATOM 429 O3' C B 14 -3.153 9.096 1.463 1.00 0.00 O ATOM 430 C2' C B 14 -2.017 8.377 3.478 1.00 0.00 C ATOM 431 O2' C B 14 -1.580 9.717 3.586 1.00 0.00 O ATOM 432 C1' C B 14 -2.539 7.921 4.835 1.00 0.00 C ATOM 433 N1 C B 14 -2.351 6.454 4.973 1.00 0.00 N ATOM 434 C2 C B 14 -1.070 6.010 5.266 1.00 0.00 C ATOM 435 O2 C B 14 -0.164 6.820 5.440 1.00 0.00 O ATOM 436 N3 C B 14 -0.852 4.670 5.350 1.00 0.00 N ATOM 437 C4 C B 14 -1.847 3.797 5.149 1.00 0.00 C ATOM 438 N4 C B 14 -1.584 2.489 5.232 1.00 0.00 N ATOM 439 C5 C B 14 -3.178 4.238 4.855 1.00 0.00 C ATOM 440 C6 C B 14 -3.381 5.572 4.784 1.00 0.00 C ATOM 0 H5' C B 14 -6.411 8.894 3.957 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.961 9.008 2.267 1.00 0.00 H new ATOM 0 H4' C B 14 -4.245 9.935 3.651 1.00 0.00 H new ATOM 0 H3' C B 14 -3.495 7.317 2.234 1.00 0.00 H new ATOM 0 H2' C B 14 -1.184 7.794 3.086 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.021 10.261 2.901 1.00 0.00 H new ATOM 0 H1' C B 14 -2.006 8.401 5.655 1.00 0.00 H new ATOM 0 H41 C B 14 -2.329 1.809 5.082 1.00 0.00 H new ATOM 0 H42 C B 14 -0.638 2.172 5.445 1.00 0.00 H new ATOM 0 H5 C B 14 -3.983 3.536 4.697 1.00 0.00 H new ATOM 0 H6 C B 14 -4.371 5.948 4.575 1.00 0.00 H new ATOM 452 P U B 15 -2.416 8.522 0.144 1.00 0.00 P ATOM 453 OP1 U B 15 -2.417 9.588 -0.882 1.00 0.00 O ATOM 454 OP2 U B 15 -3.011 7.204 -0.169 1.00 0.00 O ATOM 455 O5' U B 15 -0.893 8.281 0.616 1.00 0.00 O ATOM 456 C5' U B 15 -0.005 9.364 0.791 1.00 0.00 C ATOM 457 C4' U B 15 1.385 8.835 1.157 1.00 0.00 C ATOM 458 O4' U B 15 1.367 8.074 2.370 1.00 0.00 O ATOM 459 C3' U B 15 1.930 7.884 0.111 1.00 0.00 C ATOM 460 O3' U B 15 2.427 8.546 -1.037 1.00 0.00 O ATOM 461 C2' U B 15 3.034 7.239 0.904 1.00 0.00 C ATOM 462 O2' U B 15 4.124 8.130 1.025 1.00 0.00 O ATOM 463 C1' U B 15 2.395 7.069 2.273 1.00 0.00 C ATOM 464 N1 U B 15 1.824 5.702 2.420 1.00 0.00 N ATOM 465 C2 U B 15 2.716 4.669 2.679 1.00 0.00 C ATOM 466 O2 U B 15 3.927 4.855 2.763 1.00 0.00 O ATOM 467 N3 U B 15 2.167 3.409 2.841 1.00 0.00 N ATOM 468 C4 U B 15 0.823 3.089 2.765 1.00 0.00 C ATOM 469 O4 U B 15 0.449 1.928 2.915 1.00 0.00 O ATOM 470 C5 U B 15 -0.041 4.223 2.507 1.00 0.00 C ATOM 471 C6 U B 15 0.472 5.469 2.348 1.00 0.00 C ATOM 0 H5' U B 15 -0.372 10.025 1.576 1.00 0.00 H new ATOM 0 H5'' U B 15 0.049 9.955 -0.124 1.00 0.00 H new ATOM 0 H4' U B 15 2.001 9.730 1.247 1.00 0.00 H new ATOM 0 H3' U B 15 1.188 7.202 -0.305 1.00 0.00 H new ATOM 0 H2' U B 15 3.406 6.317 0.457 1.00 0.00 H new ATOM 0 HO2' U B 15 4.839 7.704 1.543 1.00 0.00 H new ATOM 0 H1' U B 15 3.129 7.187 3.070 1.00 0.00 H new ATOM 0 H3 U B 15 2.814 2.644 3.035 1.00 0.00 H new ATOM 0 H5 U B 15 -1.109 4.074 2.440 1.00 0.00 H new ATOM 0 H6 U B 15 -0.197 6.296 2.161 1.00 0.00 H new ATOM 482 P C B 16 2.810 7.711 -2.369 1.00 0.00 P ATOM 483 OP1 C B 16 3.322 8.664 -3.378 1.00 0.00 O ATOM 484 OP2 C B 16 1.662 6.839 -2.702 1.00 0.00 O ATOM 485 O5' C B 16 4.034 6.765 -1.907 1.00 0.00 O ATOM 486 C5' C B 16 5.338 7.286 -1.745 1.00 0.00 C ATOM 487 C4' C B 16 6.295 6.164 -1.327 1.00 0.00 C ATOM 488 O4' C B 16 5.896 5.551 -0.106 1.00 0.00 O ATOM 489 C3' C B 16 6.326 5.029 -2.324 1.00 0.00 C ATOM 490 O3' C B 16 7.060 5.344 -3.488 1.00 0.00 O ATOM 491 C2' C B 16 6.998 3.964 -1.504 1.00 0.00 C ATOM 492 O2' C B 16 8.385 4.221 -1.429 1.00 0.00 O ATOM 493 C1' C B 16 6.366 4.190 -0.130 1.00 0.00 C ATOM 494 N1 C B 16 5.238 3.239 0.060 1.00 0.00 N ATOM 495 C2 C B 16 5.555 1.924 0.381 1.00 0.00 C ATOM 496 O2 C B 16 6.729 1.588 0.525 1.00 0.00 O ATOM 497 N3 C B 16 4.537 1.030 0.527 1.00 0.00 N ATOM 498 C4 C B 16 3.261 1.407 0.362 1.00 0.00 C ATOM 499 N4 C B 16 2.291 0.501 0.526 1.00 0.00 N ATOM 500 C5 C B 16 2.920 2.755 0.022 1.00 0.00 C ATOM 501 C6 C B 16 3.939 3.629 -0.114 1.00 0.00 C ATOM 0 H5' C B 16 5.334 8.073 -0.991 1.00 0.00 H new ATOM 0 H5'' C B 16 5.678 7.738 -2.677 1.00 0.00 H new ATOM 0 H4' C B 16 7.264 6.657 -1.245 1.00 0.00 H new ATOM 0 H3' C B 16 5.347 4.754 -2.718 1.00 0.00 H new ATOM 0 H2' C B 16 6.880 2.955 -1.899 1.00 0.00 H new ATOM 0 HO2' C B 16 8.647 4.820 -2.159 1.00 0.00 H new ATOM 0 HO3' C B 16 7.050 4.577 -4.098 1.00 0.00 H new ATOM 0 H1' C B 16 7.082 4.021 0.674 1.00 0.00 H new ATOM 0 H41 C B 16 1.315 0.771 0.404 1.00 0.00 H new ATOM 0 H42 C B 16 2.527 -0.460 0.773 1.00 0.00 H new ATOM 0 H5 C B 16 1.893 3.059 -0.119 1.00 0.00 H new ATOM 0 H6 C B 16 3.724 4.657 -0.365 1.00 0.00 H new TER 514 C B 16