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 -26:sc= 0.0659 USER MOD Single : A 1 G O5' : rot 180:sc= -0.219 USER MOD Single : A 2 G O2' : rot -26:sc= 0.0573 USER MOD Single : A 3 U O2' : rot -15:sc= 0.0786 USER MOD Single : A 4 A O2' : rot -18:sc= 0.091 USER MOD Single : A 5 U O2' : rot -27:sc= -0.307 USER MOD Single : A 6 C O2' : rot 174:sc= -1.93! USER MOD Single : A 7 A O2' : rot -161:sc= 1.86 USER MOD Single : A 8 C O2' : rot 136:sc= 0.502 USER MOD Single : A 9 G O2' : rot -25:sc= 0.102 USER MOD Single : A 10 G O2' : rot -25:sc= 0.0943 USER MOD Single : A 11 U O2' : rot -17:sc= 0.0749 USER MOD Single : A 12 A O2' : rot -19:sc= 0.0617 USER MOD Single : A 13 C O2' : rot 180:sc= -0.4 USER MOD Single : A 14 C O2' : rot -28:sc= 0.109 USER MOD Single : A 14 C O3' : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -10.320 -5.407 -1.300 1.00 0.00 O ATOM 2 C5' G A 1 -10.971 -6.384 -2.115 1.00 0.00 C ATOM 3 C4' G A 1 -10.936 -5.975 -3.568 1.00 0.00 C ATOM 4 O4' G A 1 -11.693 -4.744 -3.731 1.00 0.00 O ATOM 5 C3' G A 1 -9.557 -5.641 -4.118 1.00 0.00 C ATOM 6 O3' G A 1 -8.859 -6.811 -4.536 1.00 0.00 O ATOM 7 C2' G A 1 -9.893 -4.706 -5.270 1.00 0.00 C ATOM 8 O2' G A 1 -10.391 -5.422 -6.383 1.00 0.00 O ATOM 9 C1' G A 1 -11.036 -3.898 -4.659 1.00 0.00 C ATOM 10 N9 G A 1 -10.587 -2.705 -3.947 1.00 0.00 N ATOM 11 C8 G A 1 -10.524 -2.537 -2.587 1.00 0.00 C ATOM 12 N7 G A 1 -10.081 -1.363 -2.231 1.00 0.00 N ATOM 13 C5 G A 1 -9.832 -0.714 -3.433 1.00 0.00 C ATOM 14 C6 G A 1 -9.335 0.591 -3.685 1.00 0.00 C ATOM 15 O6 G A 1 -9.005 1.461 -2.870 1.00 0.00 O ATOM 16 N1 G A 1 -9.236 0.846 -5.049 1.00 0.00 N ATOM 17 C2 G A 1 -9.571 -0.041 -6.043 1.00 0.00 C ATOM 18 N2 G A 1 -9.404 0.392 -7.301 1.00 0.00 N ATOM 19 N3 G A 1 -10.036 -1.261 -5.821 1.00 0.00 N ATOM 20 C4 G A 1 -10.140 -1.528 -4.503 1.00 0.00 C ATOM 0 H5' G A 1 -12.005 -6.505 -1.791 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.483 -7.351 -1.992 1.00 0.00 H new ATOM 0 H4' G A 1 -11.331 -6.841 -4.100 1.00 0.00 H new ATOM 0 H3' G A 1 -8.883 -5.191 -3.389 1.00 0.00 H new ATOM 0 H2' G A 1 -9.039 -4.131 -5.629 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.047 -6.339 -6.362 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.354 -5.688 -0.362 1.00 0.00 H new ATOM 0 H1' G A 1 -11.682 -3.561 -5.469 1.00 0.00 H new ATOM 0 H8 G A 1 -10.813 -3.301 -1.881 1.00 0.00 H new ATOM 0 H1 G A 1 -8.888 1.762 -5.333 1.00 0.00 H new ATOM 0 H21 G A 1 -9.634 -0.218 -8.085 1.00 0.00 H new ATOM 0 H22 G A 1 -9.047 1.332 -7.474 1.00 0.00 H new ATOM 32 P G A 2 -7.253 -6.853 -4.457 1.00 0.00 P ATOM 33 OP1 G A 2 -6.833 -8.246 -4.754 1.00 0.00 O ATOM 34 OP2 G A 2 -6.829 -6.215 -3.184 1.00 0.00 O ATOM 35 O5' G A 2 -6.774 -5.927 -5.662 1.00 0.00 O ATOM 36 C5' G A 2 -6.924 -6.356 -7.012 1.00 0.00 C ATOM 37 C4' G A 2 -6.411 -5.297 -7.960 1.00 0.00 C ATOM 38 O4' G A 2 -7.191 -4.082 -7.784 1.00 0.00 O ATOM 39 C3' G A 2 -4.974 -4.844 -7.741 1.00 0.00 C ATOM 40 O3' G A 2 -4.038 -5.724 -8.355 1.00 0.00 O ATOM 41 C2' G A 2 -4.984 -3.464 -8.382 1.00 0.00 C ATOM 42 O2' G A 2 -4.978 -3.554 -9.794 1.00 0.00 O ATOM 43 C1' G A 2 -6.350 -2.952 -7.932 1.00 0.00 C ATOM 44 N9 G A 2 -6.317 -2.232 -6.663 1.00 0.00 N ATOM 45 C8 G A 2 -6.727 -2.693 -5.436 1.00 0.00 C ATOM 46 N7 G A 2 -6.599 -1.810 -4.484 1.00 0.00 N ATOM 47 C5 G A 2 -6.056 -0.701 -5.119 1.00 0.00 C ATOM 48 C6 G A 2 -5.688 0.564 -4.598 1.00 0.00 C ATOM 49 O6 G A 2 -5.770 0.972 -3.434 1.00 0.00 O ATOM 50 N1 G A 2 -5.176 1.395 -5.589 1.00 0.00 N ATOM 51 C2 G A 2 -5.038 1.054 -6.912 1.00 0.00 C ATOM 52 N2 G A 2 -4.525 1.997 -7.716 1.00 0.00 N ATOM 53 N3 G A 2 -5.375 -0.124 -7.410 1.00 0.00 N ATOM 54 C4 G A 2 -5.874 -0.946 -6.464 1.00 0.00 C ATOM 0 H5' G A 2 -7.974 -6.562 -7.220 1.00 0.00 H new ATOM 0 H5'' G A 2 -6.379 -7.287 -7.167 1.00 0.00 H new ATOM 0 H4' G A 2 -6.486 -5.771 -8.939 1.00 0.00 H new ATOM 0 H3' G A 2 -4.666 -4.835 -6.695 1.00 0.00 H new ATOM 0 H2' G A 2 -4.127 -2.848 -8.109 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.560 -4.397 -10.066 1.00 0.00 H new ATOM 0 H1' G A 2 -6.707 -2.246 -8.682 1.00 0.00 H new ATOM 0 H8 G A 2 -7.117 -3.687 -5.275 1.00 0.00 H new ATOM 0 H1 G A 2 -4.880 2.331 -5.311 1.00 0.00 H new ATOM 0 H21 G A 2 -4.397 1.806 -8.710 1.00 0.00 H new ATOM 0 H22 G A 2 -4.263 2.906 -7.334 1.00 0.00 H new ATOM 66 P U A 3 -2.574 -5.907 -7.714 1.00 0.00 P ATOM 67 OP1 U A 3 -1.856 -6.919 -8.529 1.00 0.00 O ATOM 68 OP2 U A 3 -2.729 -6.117 -6.253 1.00 0.00 O ATOM 69 O5' U A 3 -1.869 -4.496 -7.943 1.00 0.00 O ATOM 70 C5' U A 3 -1.524 -4.057 -9.253 1.00 0.00 C ATOM 71 C4' U A 3 -0.986 -2.646 -9.205 1.00 0.00 C ATOM 72 O4' U A 3 -2.006 -1.777 -8.644 1.00 0.00 O ATOM 73 C3' U A 3 0.220 -2.422 -8.304 1.00 0.00 C ATOM 74 O3' U A 3 1.441 -2.751 -8.960 1.00 0.00 O ATOM 75 C2' U A 3 0.120 -0.934 -7.994 1.00 0.00 C ATOM 76 O2' U A 3 0.580 -0.152 -9.080 1.00 0.00 O ATOM 77 C1' U A 3 -1.393 -0.757 -7.875 1.00 0.00 C ATOM 78 N1 U A 3 -1.888 -0.849 -6.494 1.00 0.00 N ATOM 79 C2 U A 3 -1.701 0.247 -5.673 1.00 0.00 C ATOM 80 O2 U A 3 -1.134 1.260 -6.044 1.00 0.00 O ATOM 81 N3 U A 3 -2.203 0.112 -4.403 1.00 0.00 N ATOM 82 C4 U A 3 -2.858 -0.982 -3.882 1.00 0.00 C ATOM 83 O4 U A 3 -3.253 -0.955 -2.715 1.00 0.00 O ATOM 84 C5 U A 3 -3.005 -2.074 -4.791 1.00 0.00 C ATOM 85 C6 U A 3 -2.521 -1.980 -6.034 1.00 0.00 C ATOM 0 H5' U A 3 -2.400 -4.098 -9.901 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.777 -4.724 -9.683 1.00 0.00 H new ATOM 0 H4' U A 3 -0.696 -2.441 -10.236 1.00 0.00 H new ATOM 0 H3' U A 3 0.221 -3.050 -7.413 1.00 0.00 H new ATOM 0 H2' U A 3 0.704 -0.634 -7.124 1.00 0.00 H new ATOM 0 HO2' U A 3 1.088 -0.718 -9.698 1.00 0.00 H new ATOM 0 H1' U A 3 -1.639 0.244 -8.230 1.00 0.00 H new ATOM 0 H3 U A 3 -2.078 0.908 -3.777 1.00 0.00 H new ATOM 0 H5 U A 3 -3.507 -2.976 -4.474 1.00 0.00 H new ATOM 0 H6 U A 3 -2.631 -2.823 -6.701 1.00 0.00 H new ATOM 96 P A A 4 2.730 -3.161 -8.089 1.00 0.00 P ATOM 97 OP1 A A 4 3.772 -3.628 -9.038 1.00 0.00 O ATOM 98 OP2 A A 4 2.288 -4.054 -6.988 1.00 0.00 O ATOM 99 O5' A A 4 3.225 -1.787 -7.451 1.00 0.00 O ATOM 100 C5' A A 4 3.833 -0.783 -8.258 1.00 0.00 C ATOM 101 C4' A A 4 4.205 0.413 -7.411 1.00 0.00 C ATOM 102 O4' A A 4 2.998 0.946 -6.800 1.00 0.00 O ATOM 103 C3' A A 4 5.131 0.128 -6.236 1.00 0.00 C ATOM 104 O3' A A 4 6.503 0.163 -6.611 1.00 0.00 O ATOM 105 C2' A A 4 4.785 1.254 -5.271 1.00 0.00 C ATOM 106 O2' A A 4 5.379 2.474 -5.673 1.00 0.00 O ATOM 107 C1' A A 4 3.276 1.359 -5.473 1.00 0.00 C ATOM 108 N9 A A 4 2.504 0.522 -4.556 1.00 0.00 N ATOM 109 C8 A A 4 2.011 -0.740 -4.775 1.00 0.00 C ATOM 110 N7 A A 4 1.337 -1.228 -3.762 1.00 0.00 N ATOM 111 C5 A A 4 1.401 -0.225 -2.806 1.00 0.00 C ATOM 112 C6 A A 4 0.885 -0.126 -1.502 1.00 0.00 C ATOM 113 N6 A A 4 0.169 -1.087 -0.914 1.00 0.00 N ATOM 114 N1 A A 4 1.132 1.010 -0.814 1.00 0.00 N ATOM 115 C2 A A 4 1.849 1.975 -1.405 1.00 0.00 C ATOM 116 N3 A A 4 2.384 2.000 -2.623 1.00 0.00 N ATOM 117 C4 A A 4 2.120 0.858 -3.280 1.00 0.00 C ATOM 0 H5' A A 4 3.148 -0.478 -9.050 1.00 0.00 H new ATOM 0 H5'' A A 4 4.722 -1.185 -8.743 1.00 0.00 H new ATOM 0 H4' A A 4 4.717 1.082 -8.102 1.00 0.00 H new ATOM 0 H3' A A 4 4.996 -0.868 -5.815 1.00 0.00 H new ATOM 0 H2' A A 4 5.117 1.068 -4.250 1.00 0.00 H new ATOM 0 HO2' A A 4 6.104 2.292 -6.307 1.00 0.00 H new ATOM 0 H1' A A 4 2.983 2.391 -5.278 1.00 0.00 H new ATOM 0 H8 A A 4 2.164 -1.281 -5.697 1.00 0.00 H new ATOM 0 H61 A A 4 -0.178 -0.955 0.036 1.00 0.00 H new ATOM 0 H62 A A 4 -0.031 -1.953 -1.415 1.00 0.00 H new ATOM 0 H2 A A 4 2.017 2.859 -0.808 1.00 0.00 H new ATOM 129 P U A 5 7.566 -0.758 -5.831 1.00 0.00 P ATOM 130 OP1 U A 5 8.888 -0.551 -6.475 1.00 0.00 O ATOM 131 OP2 U A 5 7.006 -2.129 -5.727 1.00 0.00 O ATOM 132 O5' U A 5 7.625 -0.129 -4.367 1.00 0.00 O ATOM 133 C5' U A 5 8.293 1.106 -4.123 1.00 0.00 C ATOM 134 C4' U A 5 7.912 1.639 -2.761 1.00 0.00 C ATOM 135 O4' U A 5 6.464 1.612 -2.641 1.00 0.00 O ATOM 136 C3' U A 5 8.417 0.821 -1.580 1.00 0.00 C ATOM 137 O3' U A 5 9.717 1.232 -1.174 1.00 0.00 O ATOM 138 C2' U A 5 7.371 1.096 -0.507 1.00 0.00 C ATOM 139 O2' U A 5 7.586 2.353 0.106 1.00 0.00 O ATOM 140 C1' U A 5 6.096 1.178 -1.344 1.00 0.00 C ATOM 141 N1 U A 5 5.387 -0.103 -1.472 1.00 0.00 N ATOM 142 C2 U A 5 4.493 -0.452 -0.475 1.00 0.00 C ATOM 143 O2 U A 5 4.281 0.250 0.502 1.00 0.00 O ATOM 144 N3 U A 5 3.856 -1.653 -0.665 1.00 0.00 N ATOM 145 C4 U A 5 4.018 -2.522 -1.723 1.00 0.00 C ATOM 146 O4 U A 5 3.367 -3.567 -1.755 1.00 0.00 O ATOM 147 C5 U A 5 4.961 -2.090 -2.707 1.00 0.00 C ATOM 148 C6 U A 5 5.602 -0.927 -2.554 1.00 0.00 C ATOM 0 H5' U A 5 8.028 1.830 -4.893 1.00 0.00 H new ATOM 0 H5'' U A 5 9.372 0.962 -4.178 1.00 0.00 H new ATOM 0 H4' U A 5 8.362 2.630 -2.714 1.00 0.00 H new ATOM 0 H3' U A 5 8.527 -0.240 -1.806 1.00 0.00 H new ATOM 0 H2' U A 5 7.367 0.354 0.291 1.00 0.00 H new ATOM 0 HO2' U A 5 8.536 2.587 0.048 1.00 0.00 H new ATOM 0 H1' U A 5 5.417 1.865 -0.839 1.00 0.00 H new ATOM 0 H3 U A 5 3.190 -1.933 0.055 1.00 0.00 H new ATOM 0 H5 U A 5 5.156 -2.704 -3.574 1.00 0.00 H new ATOM 0 H6 U A 5 6.314 -0.623 -3.306 1.00 0.00 H new ATOM 159 P C A 6 10.468 0.445 0.009 1.00 0.00 P ATOM 160 OP1 C A 6 11.444 1.384 0.618 1.00 0.00 O ATOM 161 OP2 C A 6 10.940 -0.858 -0.525 1.00 0.00 O ATOM 162 O5' C A 6 9.321 0.162 1.077 1.00 0.00 O ATOM 163 C5' C A 6 9.223 0.938 2.269 1.00 0.00 C ATOM 164 C4' C A 6 8.249 0.297 3.230 1.00 0.00 C ATOM 165 O4' C A 6 7.016 0.000 2.524 1.00 0.00 O ATOM 166 C3' C A 6 8.689 -1.040 3.809 1.00 0.00 C ATOM 167 O3' C A 6 9.499 -0.867 4.965 1.00 0.00 O ATOM 168 C2' C A 6 7.365 -1.719 4.136 1.00 0.00 C ATOM 169 O2' C A 6 6.846 -1.252 5.363 1.00 0.00 O ATOM 170 C1' C A 6 6.468 -1.214 3.006 1.00 0.00 C ATOM 171 N1 C A 6 6.364 -2.153 1.878 1.00 0.00 N ATOM 172 C2 C A 6 5.211 -2.932 1.747 1.00 0.00 C ATOM 173 O2 C A 6 4.306 -2.809 2.586 1.00 0.00 O ATOM 174 N3 C A 6 5.112 -3.796 0.712 1.00 0.00 N ATOM 175 C4 C A 6 6.110 -3.898 -0.169 1.00 0.00 C ATOM 176 N4 C A 6 5.969 -4.763 -1.176 1.00 0.00 N ATOM 177 C5 C A 6 7.297 -3.117 -0.058 1.00 0.00 C ATOM 178 C6 C A 6 7.379 -2.265 0.972 1.00 0.00 C ATOM 0 H5' C A 6 8.895 1.949 2.028 1.00 0.00 H new ATOM 0 H5'' C A 6 10.204 1.024 2.737 1.00 0.00 H new ATOM 0 H4' C A 6 8.157 1.018 4.042 1.00 0.00 H new ATOM 0 H3' C A 6 9.308 -1.624 3.128 1.00 0.00 H new ATOM 0 H2' C A 6 7.449 -2.803 4.219 1.00 0.00 H new ATOM 0 HO2' C A 6 5.955 -1.634 5.508 1.00 0.00 H new ATOM 0 H1' C A 6 5.465 -1.090 3.414 1.00 0.00 H new ATOM 0 H41 C A 6 6.712 -4.866 -1.867 1.00 0.00 H new ATOM 0 H42 C A 6 5.118 -5.320 -1.254 1.00 0.00 H new ATOM 0 H5 C A 6 8.099 -3.209 -0.776 1.00 0.00 H new ATOM 0 H6 C A 6 8.263 -1.656 1.088 1.00 0.00 H new ATOM 190 P A A 7 10.382 -2.095 5.511 1.00 0.00 P ATOM 191 OP1 A A 7 11.710 -1.550 5.891 1.00 0.00 O ATOM 192 OP2 A A 7 10.299 -3.206 4.530 1.00 0.00 O ATOM 193 O5' A A 7 9.635 -2.549 6.844 1.00 0.00 O ATOM 194 C5' A A 7 10.133 -3.630 7.628 1.00 0.00 C ATOM 195 C4' A A 7 9.355 -3.739 8.919 1.00 0.00 C ATOM 196 O4' A A 7 9.112 -2.398 9.428 1.00 0.00 O ATOM 197 C3' A A 7 7.979 -4.382 8.791 1.00 0.00 C ATOM 198 O3' A A 7 7.634 -5.107 9.967 1.00 0.00 O ATOM 199 C2' A A 7 7.060 -3.188 8.566 1.00 0.00 C ATOM 200 O2' A A 7 5.759 -3.440 9.061 1.00 0.00 O ATOM 201 C1' A A 7 7.722 -2.138 9.451 1.00 0.00 C ATOM 202 N9 A A 7 7.506 -0.761 9.008 1.00 0.00 N ATOM 203 C8 A A 7 7.644 -0.255 7.739 1.00 0.00 C ATOM 204 N7 A A 7 7.381 1.026 7.649 1.00 0.00 N ATOM 205 C5 A A 7 7.047 1.389 8.946 1.00 0.00 C ATOM 206 C6 A A 7 6.667 2.617 9.516 1.00 0.00 C ATOM 207 N6 A A 7 6.555 3.752 8.823 1.00 0.00 N ATOM 208 N1 A A 7 6.403 2.638 10.841 1.00 0.00 N ATOM 209 C2 A A 7 6.515 1.499 11.536 1.00 0.00 C ATOM 210 N3 A A 7 6.863 0.285 11.113 1.00 0.00 N ATOM 211 C4 A A 7 7.119 0.299 9.794 1.00 0.00 C ATOM 0 H5' A A 7 11.190 -3.476 7.844 1.00 0.00 H new ATOM 0 H5'' A A 7 10.055 -4.562 7.068 1.00 0.00 H new ATOM 0 H4' A A 7 9.966 -4.368 9.566 1.00 0.00 H new ATOM 0 H3' A A 7 7.919 -5.116 7.988 1.00 0.00 H new ATOM 0 H2' A A 7 6.945 -2.922 7.515 1.00 0.00 H new ATOM 0 HO2' A A 7 5.125 -2.819 8.645 1.00 0.00 H new ATOM 0 H1' A A 7 7.279 -2.214 10.444 1.00 0.00 H new ATOM 0 H8 A A 7 7.942 -0.857 6.893 1.00 0.00 H new ATOM 0 H61 A A 7 6.275 4.612 9.295 1.00 0.00 H new ATOM 0 H62 A A 7 6.750 3.760 7.822 1.00 0.00 H new ATOM 0 H2 A A 7 6.291 1.576 12.590 1.00 0.00 H new ATOM 223 P C A 8 7.123 -6.627 9.849 1.00 0.00 P ATOM 224 OP1 C A 8 6.559 -7.009 11.168 1.00 0.00 O ATOM 225 OP2 C A 8 8.214 -7.440 9.254 1.00 0.00 O ATOM 226 O5' C A 8 5.928 -6.552 8.798 1.00 0.00 O ATOM 227 C5' C A 8 4.571 -6.512 9.232 1.00 0.00 C ATOM 228 C4' C A 8 3.663 -7.038 8.145 1.00 0.00 C ATOM 229 O4' C A 8 4.068 -6.441 6.880 1.00 0.00 O ATOM 230 C3' C A 8 3.725 -8.547 7.923 1.00 0.00 C ATOM 231 O3' C A 8 2.467 -9.077 7.523 1.00 0.00 O ATOM 232 C2' C A 8 4.758 -8.684 6.814 1.00 0.00 C ATOM 233 O2' C A 8 4.530 -9.846 6.039 1.00 0.00 O ATOM 234 C1' C A 8 4.428 -7.460 5.970 1.00 0.00 C ATOM 235 N1 C A 8 5.545 -6.978 5.142 1.00 0.00 N ATOM 236 C2 C A 8 5.745 -7.550 3.884 1.00 0.00 C ATOM 237 O2 C A 8 4.974 -8.443 3.503 1.00 0.00 O ATOM 238 N3 C A 8 6.771 -7.118 3.116 1.00 0.00 N ATOM 239 C4 C A 8 7.579 -6.154 3.564 1.00 0.00 C ATOM 240 N4 C A 8 8.579 -5.759 2.773 1.00 0.00 N ATOM 241 C5 C A 8 7.398 -5.552 4.844 1.00 0.00 C ATOM 242 C6 C A 8 6.376 -5.990 5.592 1.00 0.00 C ATOM 0 H5' C A 8 4.292 -5.489 9.486 1.00 0.00 H new ATOM 0 H5'' C A 8 4.452 -7.109 10.136 1.00 0.00 H new ATOM 0 H4' C A 8 2.653 -6.785 8.468 1.00 0.00 H new ATOM 0 H3' C A 8 3.983 -9.097 8.828 1.00 0.00 H new ATOM 0 H2' C A 8 5.784 -8.755 7.176 1.00 0.00 H new ATOM 0 HO2' C A 8 4.624 -9.629 5.088 1.00 0.00 H new ATOM 0 H1' C A 8 3.636 -7.729 5.271 1.00 0.00 H new ATOM 0 H41 C A 8 9.215 -5.025 3.084 1.00 0.00 H new ATOM 0 H42 C A 8 8.707 -6.191 1.858 1.00 0.00 H new ATOM 0 H5 C A 8 8.059 -4.774 5.197 1.00 0.00 H new ATOM 0 H6 C A 8 6.206 -5.556 6.566 1.00 0.00 H new ATOM 254 P G A 9 1.299 -9.273 8.608 1.00 0.00 P ATOM 255 OP1 G A 9 1.619 -8.416 9.778 1.00 0.00 O ATOM 256 OP2 G A 9 1.085 -10.729 8.803 1.00 0.00 O ATOM 257 O5' G A 9 0.012 -8.672 7.889 1.00 0.00 O ATOM 258 C5' G A 9 -0.056 -7.290 7.551 1.00 0.00 C ATOM 259 C4' G A 9 -0.190 -6.459 8.804 1.00 0.00 C ATOM 260 O4' G A 9 1.127 -6.044 9.247 1.00 0.00 O ATOM 261 C3' G A 9 -0.952 -5.152 8.650 1.00 0.00 C ATOM 262 O3' G A 9 -2.359 -5.352 8.728 1.00 0.00 O ATOM 263 C2' G A 9 -0.423 -4.321 9.814 1.00 0.00 C ATOM 264 O2' G A 9 -1.066 -4.672 11.023 1.00 0.00 O ATOM 265 C1' G A 9 1.034 -4.784 9.887 1.00 0.00 C ATOM 266 N9 G A 9 1.970 -3.870 9.242 1.00 0.00 N ATOM 267 C8 G A 9 2.633 -2.823 9.830 1.00 0.00 C ATOM 268 N7 G A 9 3.404 -2.171 9.004 1.00 0.00 N ATOM 269 C5 G A 9 3.242 -2.831 7.794 1.00 0.00 C ATOM 270 C6 G A 9 3.827 -2.581 6.526 1.00 0.00 C ATOM 271 O6 G A 9 4.628 -1.694 6.208 1.00 0.00 O ATOM 272 N1 G A 9 3.390 -3.495 5.572 1.00 0.00 N ATOM 273 C2 G A 9 2.502 -4.516 5.806 1.00 0.00 C ATOM 274 N2 G A 9 2.202 -5.293 4.755 1.00 0.00 N ATOM 275 N3 G A 9 1.947 -4.759 6.983 1.00 0.00 N ATOM 276 C4 G A 9 2.361 -3.884 7.924 1.00 0.00 C ATOM 0 H5' G A 9 -0.905 -7.109 6.892 1.00 0.00 H new ATOM 0 H5'' G A 9 0.840 -6.996 7.004 1.00 0.00 H new ATOM 0 H4' G A 9 -0.733 -7.110 9.489 1.00 0.00 H new ATOM 0 H3' G A 9 -0.804 -4.673 7.682 1.00 0.00 H new ATOM 0 H2' G A 9 -0.570 -3.250 9.677 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.948 -5.051 10.826 1.00 0.00 H new ATOM 0 H1' G A 9 1.308 -4.828 10.941 1.00 0.00 H new ATOM 0 H8 G A 9 2.527 -2.564 10.873 1.00 0.00 H new ATOM 0 H1 G A 9 3.758 -3.399 4.625 1.00 0.00 H new ATOM 0 H21 G A 9 1.549 -6.069 4.864 1.00 0.00 H new ATOM 0 H22 G A 9 2.627 -5.108 3.846 1.00 0.00 H new ATOM 288 P G A 10 -3.356 -4.181 8.260 1.00 0.00 P ATOM 289 OP1 G A 10 -4.644 -4.385 8.970 1.00 0.00 O ATOM 290 OP2 G A 10 -3.339 -4.119 6.776 1.00 0.00 O ATOM 291 O5' G A 10 -2.684 -2.853 8.826 1.00 0.00 O ATOM 292 C5' G A 10 -2.754 -1.629 8.098 1.00 0.00 C ATOM 293 C4' G A 10 -1.594 -0.738 8.471 1.00 0.00 C ATOM 294 O4' G A 10 -0.356 -1.460 8.233 1.00 0.00 O ATOM 295 C3' G A 10 -1.469 0.534 7.643 1.00 0.00 C ATOM 296 O3' G A 10 -2.248 1.590 8.197 1.00 0.00 O ATOM 297 C2' G A 10 0.026 0.821 7.698 1.00 0.00 C ATOM 298 O2' G A 10 0.387 1.421 8.927 1.00 0.00 O ATOM 299 C1' G A 10 0.604 -0.592 7.659 1.00 0.00 C ATOM 300 N9 G A 10 0.898 -1.070 6.312 1.00 0.00 N ATOM 301 C8 G A 10 0.547 -2.284 5.775 1.00 0.00 C ATOM 302 N7 G A 10 0.947 -2.438 4.543 1.00 0.00 N ATOM 303 C5 G A 10 1.603 -1.251 4.246 1.00 0.00 C ATOM 304 C6 G A 10 2.247 -0.833 3.054 1.00 0.00 C ATOM 305 O6 G A 10 2.367 -1.446 1.989 1.00 0.00 O ATOM 306 N1 G A 10 2.785 0.443 3.182 1.00 0.00 N ATOM 307 C2 G A 10 2.709 1.220 4.312 1.00 0.00 C ATOM 308 N2 G A 10 3.291 2.427 4.240 1.00 0.00 N ATOM 309 N3 G A 10 2.108 0.844 5.431 1.00 0.00 N ATOM 310 C4 G A 10 1.582 -0.395 5.327 1.00 0.00 C ATOM 0 H5' G A 10 -3.695 -1.123 8.312 1.00 0.00 H new ATOM 0 H5'' G A 10 -2.737 -1.832 7.027 1.00 0.00 H new ATOM 0 H4' G A 10 -1.774 -0.464 9.510 1.00 0.00 H new ATOM 0 H3' G A 10 -1.840 0.434 6.623 1.00 0.00 H new ATOM 0 H2' G A 10 0.365 1.494 6.910 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.391 1.878 9.309 1.00 0.00 H new ATOM 0 H1' G A 10 1.549 -0.575 8.203 1.00 0.00 H new ATOM 0 H8 G A 10 -0.005 -3.036 6.318 1.00 0.00 H new ATOM 0 H1 G A 10 3.273 0.831 2.375 1.00 0.00 H new ATOM 0 H21 G A 10 3.270 3.052 5.046 1.00 0.00 H new ATOM 0 H22 G A 10 3.755 2.719 3.380 1.00 0.00 H new ATOM 322 P U A 11 -3.227 2.444 7.248 1.00 0.00 P ATOM 323 OP1 U A 11 -4.067 3.297 8.127 1.00 0.00 O ATOM 324 OP2 U A 11 -3.878 1.516 6.288 1.00 0.00 O ATOM 325 O5' U A 11 -2.238 3.392 6.437 1.00 0.00 O ATOM 326 C5' U A 11 -1.571 4.473 7.080 1.00 0.00 C ATOM 327 C4' U A 11 -0.605 5.129 6.123 1.00 0.00 C ATOM 328 O4' U A 11 0.388 4.146 5.723 1.00 0.00 O ATOM 329 C3' U A 11 -1.210 5.617 4.814 1.00 0.00 C ATOM 330 O3' U A 11 -1.750 6.929 4.940 1.00 0.00 O ATOM 331 C2' U A 11 -0.017 5.568 3.869 1.00 0.00 C ATOM 332 O2' U A 11 0.850 6.665 4.082 1.00 0.00 O ATOM 333 C1' U A 11 0.682 4.297 4.347 1.00 0.00 C ATOM 334 N1 U A 11 0.241 3.082 3.646 1.00 0.00 N ATOM 335 C2 U A 11 0.689 2.889 2.352 1.00 0.00 C ATOM 336 O2 U A 11 1.415 3.683 1.779 1.00 0.00 O ATOM 337 N3 U A 11 0.255 1.731 1.755 1.00 0.00 N ATOM 338 C4 U A 11 -0.563 0.769 2.308 1.00 0.00 C ATOM 339 O4 U A 11 -0.860 -0.228 1.646 1.00 0.00 O ATOM 340 C5 U A 11 -0.988 1.046 3.644 1.00 0.00 C ATOM 341 C6 U A 11 -0.587 2.165 4.255 1.00 0.00 C ATOM 0 H5' U A 11 -1.036 4.110 7.957 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.300 5.203 7.431 1.00 0.00 H new ATOM 0 H4' U A 11 -0.219 5.990 6.669 1.00 0.00 H new ATOM 0 H3' U A 11 -2.054 5.019 4.469 1.00 0.00 H new ATOM 0 H2' U A 11 -0.296 5.592 2.816 1.00 0.00 H new ATOM 0 HO2' U A 11 0.378 7.363 4.582 1.00 0.00 H new ATOM 0 H1' U A 11 1.747 4.408 4.145 1.00 0.00 H new ATOM 0 H3 U A 11 0.572 1.565 0.800 1.00 0.00 H new ATOM 0 H5 U A 11 -1.634 0.351 4.160 1.00 0.00 H new ATOM 0 H6 U A 11 -0.924 2.357 5.263 1.00 0.00 H new ATOM 352 P A A 12 -3.000 7.372 4.028 1.00 0.00 P ATOM 353 OP1 A A 12 -3.460 8.694 4.524 1.00 0.00 O ATOM 354 OP2 A A 12 -3.958 6.239 3.962 1.00 0.00 O ATOM 355 O5' A A 12 -2.371 7.581 2.579 1.00 0.00 O ATOM 356 C5' A A 12 -1.457 8.645 2.328 1.00 0.00 C ATOM 357 C4' A A 12 -0.919 8.549 0.919 1.00 0.00 C ATOM 358 O4' A A 12 -0.237 7.275 0.763 1.00 0.00 O ATOM 359 C3' A A 12 -1.963 8.553 -0.190 1.00 0.00 C ATOM 360 O3' A A 12 -2.340 9.875 -0.560 1.00 0.00 O ATOM 361 C2' A A 12 -1.239 7.828 -1.315 1.00 0.00 C ATOM 362 O2' A A 12 -0.297 8.672 -1.949 1.00 0.00 O ATOM 363 C1' A A 12 -0.483 6.757 -0.532 1.00 0.00 C ATOM 364 N9 A A 12 -1.224 5.504 -0.398 1.00 0.00 N ATOM 365 C8 A A 12 -1.931 5.046 0.687 1.00 0.00 C ATOM 366 N7 A A 12 -2.478 3.869 0.502 1.00 0.00 N ATOM 367 C5 A A 12 -2.114 3.533 -0.795 1.00 0.00 C ATOM 368 C6 A A 12 -2.383 2.407 -1.590 1.00 0.00 C ATOM 369 N6 A A 12 -3.111 1.366 -1.179 1.00 0.00 N ATOM 370 N1 A A 12 -1.871 2.385 -2.840 1.00 0.00 N ATOM 371 C2 A A 12 -1.141 3.429 -3.253 1.00 0.00 C ATOM 372 N3 A A 12 -0.821 4.542 -2.599 1.00 0.00 N ATOM 373 C4 A A 12 -1.344 4.531 -1.361 1.00 0.00 C ATOM 0 H5' A A 12 -0.635 8.604 3.043 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.956 9.604 2.470 1.00 0.00 H new ATOM 0 H4' A A 12 -0.293 9.435 0.813 1.00 0.00 H new ATOM 0 H3' A A 12 -2.904 8.081 0.094 1.00 0.00 H new ATOM 0 H2' A A 12 -1.906 7.466 -2.098 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.507 9.607 -1.746 1.00 0.00 H new ATOM 0 H1' A A 12 0.432 6.525 -1.077 1.00 0.00 H new ATOM 0 H8 A A 12 -2.027 5.604 1.607 1.00 0.00 H new ATOM 0 H61 A A 12 -3.271 0.577 -1.805 1.00 0.00 H new ATOM 0 H62 A A 12 -3.507 1.360 -0.239 1.00 0.00 H new ATOM 0 H2 A A 12 -0.758 3.357 -4.260 1.00 0.00 H new ATOM 385 P C A 13 -3.788 10.140 -1.208 1.00 0.00 P ATOM 386 OP1 C A 13 -3.953 11.610 -1.333 1.00 0.00 O ATOM 387 OP2 C A 13 -4.792 9.351 -0.450 1.00 0.00 O ATOM 388 O5' C A 13 -3.677 9.530 -2.677 1.00 0.00 O ATOM 389 C5' C A 13 -2.884 10.167 -3.675 1.00 0.00 C ATOM 390 C4' C A 13 -2.972 9.403 -4.977 1.00 0.00 C ATOM 391 O4' C A 13 -2.456 8.059 -4.775 1.00 0.00 O ATOM 392 C3' C A 13 -4.378 9.187 -5.517 1.00 0.00 C ATOM 393 O3' C A 13 -4.833 10.296 -6.282 1.00 0.00 O ATOM 394 C2' C A 13 -4.209 7.940 -6.374 1.00 0.00 C ATOM 395 O2' C A 13 -3.602 8.251 -7.614 1.00 0.00 O ATOM 396 C1' C A 13 -3.217 7.136 -5.536 1.00 0.00 C ATOM 397 N1 C A 13 -3.859 6.190 -4.612 1.00 0.00 N ATOM 398 C2 C A 13 -4.179 4.910 -5.072 1.00 0.00 C ATOM 399 O2 C A 13 -3.924 4.616 -6.249 1.00 0.00 O ATOM 400 N3 C A 13 -4.756 4.028 -4.225 1.00 0.00 N ATOM 401 C4 C A 13 -5.015 4.386 -2.965 1.00 0.00 C ATOM 402 N4 C A 13 -5.584 3.483 -2.162 1.00 0.00 N ATOM 403 C5 C A 13 -4.705 5.686 -2.471 1.00 0.00 C ATOM 404 C6 C A 13 -4.137 6.549 -3.323 1.00 0.00 C ATOM 0 H5' C A 13 -1.846 10.221 -3.346 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.225 11.192 -3.822 1.00 0.00 H new ATOM 0 H4' C A 13 -2.413 10.017 -5.683 1.00 0.00 H new ATOM 0 H3' C A 13 -5.129 9.079 -4.734 1.00 0.00 H new ATOM 0 H2' C A 13 -5.151 7.441 -6.603 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.504 7.433 -8.144 1.00 0.00 H new ATOM 0 H1' C A 13 -2.608 6.544 -6.219 1.00 0.00 H new ATOM 0 H41 C A 13 -5.796 3.723 -1.194 1.00 0.00 H new ATOM 0 H42 C A 13 -5.807 2.553 -2.517 1.00 0.00 H new ATOM 0 H5 C A 13 -4.920 5.964 -1.450 1.00 0.00 H new ATOM 0 H6 C A 13 -3.894 7.546 -2.986 1.00 0.00 H new ATOM 416 P C A 14 -6.407 10.608 -6.374 1.00 0.00 P ATOM 417 OP1 C A 14 -6.569 11.842 -7.184 1.00 0.00 O ATOM 418 OP2 C A 14 -6.975 10.550 -5.003 1.00 0.00 O ATOM 419 O5' C A 14 -6.992 9.385 -7.212 1.00 0.00 O ATOM 420 C5' C A 14 -6.621 9.185 -8.572 1.00 0.00 C ATOM 421 C4' C A 14 -7.261 7.925 -9.106 1.00 0.00 C ATOM 422 O4' C A 14 -6.724 6.778 -8.399 1.00 0.00 O ATOM 423 C3' C A 14 -8.763 7.813 -8.894 1.00 0.00 C ATOM 424 O3' C A 14 -9.504 8.520 -9.891 1.00 0.00 O ATOM 425 C2' C A 14 -8.994 6.307 -8.956 1.00 0.00 C ATOM 426 O2' C A 14 -9.046 5.855 -10.296 1.00 0.00 O ATOM 427 C1' C A 14 -7.714 5.769 -8.313 1.00 0.00 C ATOM 428 N1 C A 14 -7.876 5.399 -6.898 1.00 0.00 N ATOM 429 C2 C A 14 -8.240 4.086 -6.581 1.00 0.00 C ATOM 430 O2 C A 14 -8.419 3.275 -7.501 1.00 0.00 O ATOM 431 N3 C A 14 -8.386 3.736 -5.282 1.00 0.00 N ATOM 432 C4 C A 14 -8.184 4.640 -4.321 1.00 0.00 C ATOM 433 N4 C A 14 -8.338 4.252 -3.053 1.00 0.00 N ATOM 434 C5 C A 14 -7.814 5.985 -4.616 1.00 0.00 C ATOM 435 C6 C A 14 -7.675 6.318 -5.906 1.00 0.00 C ATOM 0 H5' C A 14 -5.536 9.114 -8.654 1.00 0.00 H new ATOM 0 H5'' C A 14 -6.931 10.041 -9.171 1.00 0.00 H new ATOM 0 H4' C A 14 -7.050 7.958 -10.175 1.00 0.00 H new ATOM 0 H3' C A 14 -9.101 8.260 -7.959 1.00 0.00 H new ATOM 0 H2' C A 14 -9.925 5.997 -8.481 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.373 6.577 -10.872 1.00 0.00 H new ATOM 0 HO3' C A 14 -10.463 8.420 -9.718 1.00 0.00 H new ATOM 0 H1' C A 14 -7.438 4.861 -8.850 1.00 0.00 H new ATOM 0 H41 C A 14 -8.191 4.918 -2.294 1.00 0.00 H new ATOM 0 H42 C A 14 -8.602 3.290 -2.843 1.00 0.00 H new ATOM 0 H5 C A 14 -7.652 6.707 -3.830 1.00 0.00 H new ATOM 0 H6 C A 14 -7.400 7.329 -6.167 1.00 0.00 H new TER 448 C A 14