USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 -19:sc= 0.409 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -29:sc= 0.313 USER MOD Single : A 3 A O2' : rot -25:sc= 0.347 USER MOD Single : A 4 G O2' : rot -19:sc= 0.0808 USER MOD Single : A 5 U O2' : rot -30:sc= 0.399 USER MOD Single : A 6 G O2' : rot -123:sc= 0.961 USER MOD Single : A 7 G O2' : rot -25:sc= 0.253 USER MOD Single : A 8 C O2' : rot -22:sc= 0.173 USER MOD Single : A 8 C O3' : rot -170:sc= 1.31 USER MOD Single : B 101 G O2' : rot -19:sc= 0.459 USER MOD Single : B 101 G O5' : rot -23:sc= 0.00368 USER MOD Single : B 102 C O2' : rot -115:sc= 1.05 USER MOD Single : B 103 C O2' : rot -25:sc= 0.313 USER MOD Single : B 104 A O2' : rot -26:sc= 0.377 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.02 (180deg=-0.02) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.331 -13.626 -10.244 1.00 0.00 O ATOM 2 C5' G A 1 -7.403 -14.084 -8.909 1.00 0.00 C ATOM 3 C4' G A 1 -8.706 -13.661 -8.224 1.00 0.00 C ATOM 4 O4' G A 1 -8.838 -14.367 -6.989 1.00 0.00 O ATOM 5 C3' G A 1 -8.789 -12.155 -7.940 1.00 0.00 C ATOM 6 O3' G A 1 -9.556 -11.439 -8.900 1.00 0.00 O ATOM 7 C2' G A 1 -9.567 -12.180 -6.632 1.00 0.00 C ATOM 8 O2' G A 1 -10.943 -12.253 -6.946 1.00 0.00 O ATOM 9 C1' G A 1 -9.148 -13.460 -5.941 1.00 0.00 C ATOM 10 N9 G A 1 -8.008 -13.219 -5.035 1.00 0.00 N ATOM 11 C8 G A 1 -6.664 -13.247 -5.303 1.00 0.00 C ATOM 12 N7 G A 1 -5.916 -12.876 -4.303 1.00 0.00 N ATOM 13 C5 G A 1 -6.829 -12.585 -3.296 1.00 0.00 C ATOM 14 C6 G A 1 -6.606 -12.080 -1.978 1.00 0.00 C ATOM 15 O6 G A 1 -5.543 -11.766 -1.455 1.00 0.00 O ATOM 16 N1 G A 1 -7.778 -11.913 -1.257 1.00 0.00 N ATOM 17 C2 G A 1 -9.036 -12.156 -1.764 1.00 0.00 C ATOM 18 N2 G A 1 -10.097 -11.853 -1.023 1.00 0.00 N ATOM 19 N3 G A 1 -9.265 -12.647 -2.995 1.00 0.00 N ATOM 20 C4 G A 1 -8.115 -12.826 -3.720 1.00 0.00 C ATOM 0 H5' G A 1 -6.555 -13.694 -8.346 1.00 0.00 H new ATOM 0 H5'' G A 1 -7.323 -15.171 -8.894 1.00 0.00 H new ATOM 0 H4' G A 1 -9.514 -13.903 -8.915 1.00 0.00 H new ATOM 0 H3' G A 1 -7.813 -11.671 -7.939 1.00 0.00 H new ATOM 0 H2' G A 1 -9.382 -11.304 -6.010 1.00 0.00 H new ATOM 0 HO2' G A 1 -11.083 -11.967 -7.873 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.484 -13.915 -10.644 1.00 0.00 H new ATOM 0 H1' G A 1 -9.933 -13.867 -5.303 1.00 0.00 H new ATOM 0 H8 G A 1 -6.261 -13.550 -6.258 1.00 0.00 H new ATOM 0 H1 G A 1 -7.705 -11.591 -0.292 1.00 0.00 H new ATOM 0 H21 G A 1 -11.036 -12.026 -1.382 1.00 0.00 H new ATOM 0 H22 G A 1 -9.972 -11.448 -0.095 1.00 0.00 H new ATOM 33 P C A 2 -9.473 -9.840 -9.018 1.00 0.00 P ATOM 34 OP1 C A 2 -10.574 -9.415 -9.906 1.00 0.00 O ATOM 35 OP2 C A 2 -8.085 -9.488 -9.372 1.00 0.00 O ATOM 36 O5' C A 2 -9.736 -9.264 -7.552 1.00 0.00 O ATOM 37 C5' C A 2 -11.030 -8.968 -7.065 1.00 0.00 C ATOM 38 C4' C A 2 -10.988 -8.660 -5.561 1.00 0.00 C ATOM 39 O4' C A 2 -10.291 -9.667 -4.812 1.00 0.00 O ATOM 40 C3' C A 2 -10.334 -7.325 -5.198 1.00 0.00 C ATOM 41 O3' C A 2 -11.204 -6.201 -5.185 1.00 0.00 O ATOM 42 C2' C A 2 -9.977 -7.643 -3.758 1.00 0.00 C ATOM 43 O2' C A 2 -11.162 -7.532 -2.988 1.00 0.00 O ATOM 44 C1' C A 2 -9.535 -9.087 -3.745 1.00 0.00 C ATOM 45 N1 C A 2 -8.048 -9.146 -3.889 1.00 0.00 N ATOM 46 C2 C A 2 -7.247 -8.983 -2.748 1.00 0.00 C ATOM 47 O2 C A 2 -7.726 -8.990 -1.608 1.00 0.00 O ATOM 48 N3 C A 2 -5.895 -8.850 -2.885 1.00 0.00 N ATOM 49 C4 C A 2 -5.336 -8.847 -4.102 1.00 0.00 C ATOM 50 N4 C A 2 -4.028 -8.663 -4.205 1.00 0.00 N ATOM 51 C5 C A 2 -6.115 -9.075 -5.279 1.00 0.00 C ATOM 52 C6 C A 2 -7.452 -9.221 -5.121 1.00 0.00 C ATOM 0 H5' C A 2 -11.695 -9.812 -7.250 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.440 -8.114 -7.605 1.00 0.00 H new ATOM 0 H4' C A 2 -12.045 -8.625 -5.298 1.00 0.00 H new ATOM 0 H3' C A 2 -9.550 -7.041 -5.901 1.00 0.00 H new ATOM 0 H2' C A 2 -9.206 -6.981 -3.364 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.760 -6.875 -3.401 1.00 0.00 H new ATOM 0 H1' C A 2 -9.723 -9.640 -2.825 1.00 0.00 H new ATOM 0 H41 C A 2 -3.585 -8.658 -5.124 1.00 0.00 H new ATOM 0 H42 C A 2 -3.465 -8.527 -3.366 1.00 0.00 H new ATOM 0 H5 C A 2 -5.656 -9.129 -6.255 1.00 0.00 H new ATOM 0 H6 C A 2 -8.066 -9.402 -5.991 1.00 0.00 H new ATOM 64 P A A 3 -10.620 -4.712 -5.050 1.00 0.00 P ATOM 65 OP1 A A 3 -11.789 -3.805 -5.032 1.00 0.00 O ATOM 66 OP2 A A 3 -9.594 -4.549 -6.095 1.00 0.00 O ATOM 67 O5' A A 3 -9.910 -4.657 -3.613 1.00 0.00 O ATOM 68 C5' A A 3 -10.661 -4.452 -2.425 1.00 0.00 C ATOM 69 C4' A A 3 -9.936 -4.943 -1.156 1.00 0.00 C ATOM 70 O4' A A 3 -9.134 -6.098 -1.369 1.00 0.00 O ATOM 71 C3' A A 3 -9.055 -3.935 -0.424 1.00 0.00 C ATOM 72 O3' A A 3 -9.816 -3.204 0.520 1.00 0.00 O ATOM 73 C2' A A 3 -8.109 -4.879 0.324 1.00 0.00 C ATOM 74 O2' A A 3 -8.784 -5.359 1.475 1.00 0.00 O ATOM 75 C1' A A 3 -7.913 -6.016 -0.659 1.00 0.00 C ATOM 76 N9 A A 3 -6.744 -5.766 -1.527 1.00 0.00 N ATOM 77 C8 A A 3 -6.695 -5.461 -2.865 1.00 0.00 C ATOM 78 N7 A A 3 -5.485 -5.333 -3.335 1.00 0.00 N ATOM 79 C5 A A 3 -4.678 -5.580 -2.228 1.00 0.00 C ATOM 80 C6 A A 3 -3.281 -5.620 -2.049 1.00 0.00 C ATOM 81 N6 A A 3 -2.434 -5.362 -3.042 1.00 0.00 N ATOM 82 N1 A A 3 -2.780 -5.944 -0.847 1.00 0.00 N ATOM 83 C2 A A 3 -3.628 -6.206 0.148 1.00 0.00 C ATOM 84 N3 A A 3 -4.964 -6.201 0.120 1.00 0.00 N ATOM 85 C4 A A 3 -5.432 -5.864 -1.121 1.00 0.00 C ATOM 0 H5' A A 3 -11.616 -4.969 -2.513 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.882 -3.390 -2.321 1.00 0.00 H new ATOM 0 H4' A A 3 -10.797 -5.157 -0.523 1.00 0.00 H new ATOM 0 H3' A A 3 -8.576 -3.203 -1.074 1.00 0.00 H new ATOM 0 H2' A A 3 -7.172 -4.420 0.640 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.480 -4.720 1.736 1.00 0.00 H new ATOM 0 H1' A A 3 -7.691 -6.966 -0.173 1.00 0.00 H new ATOM 0 H8 A A 3 -7.579 -5.338 -3.473 1.00 0.00 H new ATOM 0 H61 A A 3 -1.428 -5.400 -2.877 1.00 0.00 H new ATOM 0 H62 A A 3 -2.791 -5.126 -3.968 1.00 0.00 H new ATOM 0 H2 A A 3 -3.178 -6.454 1.098 1.00 0.00 H new ATOM 97 P G A 4 -9.210 -1.936 1.254 1.00 0.00 P ATOM 98 OP1 G A 4 -10.245 -1.549 2.235 1.00 0.00 O ATOM 99 OP2 G A 4 -8.775 -0.972 0.228 1.00 0.00 O ATOM 100 O5' G A 4 -7.929 -2.479 2.011 1.00 0.00 O ATOM 101 C5' G A 4 -7.975 -2.872 3.356 1.00 0.00 C ATOM 102 C4' G A 4 -6.643 -3.424 3.864 1.00 0.00 C ATOM 103 O4' G A 4 -5.883 -4.132 2.893 1.00 0.00 O ATOM 104 C3' G A 4 -5.778 -2.285 4.389 1.00 0.00 C ATOM 105 O3' G A 4 -6.136 -2.023 5.731 1.00 0.00 O ATOM 106 C2' G A 4 -4.386 -2.896 4.261 1.00 0.00 C ATOM 107 O2' G A 4 -4.112 -3.806 5.317 1.00 0.00 O ATOM 108 C1' G A 4 -4.527 -3.694 2.971 1.00 0.00 C ATOM 109 N9 G A 4 -4.143 -2.910 1.775 1.00 0.00 N ATOM 110 C8 G A 4 -4.941 -2.395 0.787 1.00 0.00 C ATOM 111 N7 G A 4 -4.292 -2.045 -0.294 1.00 0.00 N ATOM 112 C5 G A 4 -2.956 -2.250 0.040 1.00 0.00 C ATOM 113 C6 G A 4 -1.763 -2.034 -0.726 1.00 0.00 C ATOM 114 O6 G A 4 -1.661 -1.706 -1.916 1.00 0.00 O ATOM 115 N1 G A 4 -0.612 -2.241 0.031 1.00 0.00 N ATOM 116 C2 G A 4 -0.601 -2.680 1.340 1.00 0.00 C ATOM 117 N2 G A 4 0.567 -2.798 1.963 1.00 0.00 N ATOM 118 N3 G A 4 -1.710 -2.987 2.031 1.00 0.00 N ATOM 119 C4 G A 4 -2.857 -2.721 1.333 1.00 0.00 C ATOM 0 H5' G A 4 -8.747 -3.631 3.481 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.265 -2.018 3.968 1.00 0.00 H new ATOM 0 H4' G A 4 -6.912 -4.135 4.645 1.00 0.00 H new ATOM 0 H3' G A 4 -5.869 -1.330 3.872 1.00 0.00 H new ATOM 0 H2' G A 4 -3.592 -2.149 4.280 1.00 0.00 H new ATOM 0 HO2' G A 4 -4.725 -3.636 6.062 1.00 0.00 H new ATOM 0 H1' G A 4 -3.845 -4.544 2.989 1.00 0.00 H new ATOM 0 H8 G A 4 -6.011 -2.288 0.891 1.00 0.00 H new ATOM 0 H1 G A 4 0.287 -2.055 -0.414 1.00 0.00 H new ATOM 0 H21 G A 4 0.599 -3.120 2.930 1.00 0.00 H new ATOM 0 H22 G A 4 1.432 -2.566 1.474 1.00 0.00 H new ATOM 131 P U A 5 -5.700 -0.690 6.450 1.00 0.00 P ATOM 132 OP1 U A 5 -6.181 -0.814 7.842 1.00 0.00 O ATOM 133 OP2 U A 5 -6.226 0.419 5.637 1.00 0.00 O ATOM 134 O5' U A 5 -4.118 -0.624 6.443 1.00 0.00 O ATOM 135 C5' U A 5 -3.336 -1.292 7.407 1.00 0.00 C ATOM 136 C4' U A 5 -1.860 -1.047 7.085 1.00 0.00 C ATOM 137 O4' U A 5 -1.500 -1.545 5.802 1.00 0.00 O ATOM 138 C3' U A 5 -1.516 0.444 7.098 1.00 0.00 C ATOM 139 O3' U A 5 -1.206 0.867 8.410 1.00 0.00 O ATOM 140 C2' U A 5 -0.249 0.431 6.247 1.00 0.00 C ATOM 141 O2' U A 5 0.821 0.081 7.101 1.00 0.00 O ATOM 142 C1' U A 5 -0.538 -0.665 5.218 1.00 0.00 C ATOM 143 N1 U A 5 -1.017 -0.082 3.935 1.00 0.00 N ATOM 144 C2 U A 5 -0.058 0.240 2.969 1.00 0.00 C ATOM 145 O2 U A 5 1.160 0.168 3.172 1.00 0.00 O ATOM 146 N3 U A 5 -0.554 0.653 1.745 1.00 0.00 N ATOM 147 C4 U A 5 -1.877 0.908 1.433 1.00 0.00 C ATOM 148 O4 U A 5 -2.193 1.268 0.303 1.00 0.00 O ATOM 149 C5 U A 5 -2.788 0.681 2.530 1.00 0.00 C ATOM 150 C6 U A 5 -2.351 0.178 3.709 1.00 0.00 C ATOM 0 H5' U A 5 -3.554 -2.360 7.398 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.572 -0.927 8.406 1.00 0.00 H new ATOM 0 H4' U A 5 -1.307 -1.575 7.862 1.00 0.00 H new ATOM 0 H3' U A 5 -2.311 1.103 6.749 1.00 0.00 H new ATOM 0 H2' U A 5 0.009 1.373 5.764 1.00 0.00 H new ATOM 0 HO2' U A 5 0.630 0.394 8.010 1.00 0.00 H new ATOM 0 H1' U A 5 0.369 -1.218 4.972 1.00 0.00 H new ATOM 0 H3 U A 5 0.126 0.783 0.996 1.00 0.00 H new ATOM 0 H5 U A 5 -3.835 0.916 2.408 1.00 0.00 H new ATOM 0 H6 U A 5 -3.067 -0.025 4.492 1.00 0.00 H new ATOM 161 P G A 6 -1.184 2.408 8.812 1.00 0.00 P ATOM 162 OP1 G A 6 -0.622 2.425 10.181 1.00 0.00 O ATOM 163 OP2 G A 6 -2.536 2.953 8.588 1.00 0.00 O ATOM 164 O5' G A 6 -0.176 3.123 7.794 1.00 0.00 O ATOM 165 C5' G A 6 1.191 3.301 8.122 1.00 0.00 C ATOM 166 C4' G A 6 1.963 4.013 7.001 1.00 0.00 C ATOM 167 O4' G A 6 1.997 3.251 5.794 1.00 0.00 O ATOM 168 C3' G A 6 1.375 5.369 6.606 1.00 0.00 C ATOM 169 O3' G A 6 1.676 6.415 7.522 1.00 0.00 O ATOM 170 C2' G A 6 2.058 5.552 5.254 1.00 0.00 C ATOM 171 O2' G A 6 3.333 6.159 5.399 1.00 0.00 O ATOM 172 C1' G A 6 2.151 4.139 4.687 1.00 0.00 C ATOM 173 N9 G A 6 1.117 3.956 3.644 1.00 0.00 N ATOM 174 C8 G A 6 -0.181 3.562 3.810 1.00 0.00 C ATOM 175 N7 G A 6 -0.927 3.681 2.756 1.00 0.00 N ATOM 176 C5 G A 6 -0.054 4.153 1.785 1.00 0.00 C ATOM 177 C6 G A 6 -0.300 4.467 0.412 1.00 0.00 C ATOM 178 O6 G A 6 -1.366 4.422 -0.206 1.00 0.00 O ATOM 179 N1 G A 6 0.846 4.892 -0.252 1.00 0.00 N ATOM 180 C2 G A 6 2.083 5.012 0.340 1.00 0.00 C ATOM 181 N2 G A 6 3.092 5.394 -0.440 1.00 0.00 N ATOM 182 N3 G A 6 2.327 4.755 1.645 1.00 0.00 N ATOM 183 C4 G A 6 1.212 4.314 2.311 1.00 0.00 C ATOM 0 H5' G A 6 1.647 2.330 8.316 1.00 0.00 H new ATOM 0 H5'' G A 6 1.271 3.880 9.042 1.00 0.00 H new ATOM 0 H4' G A 6 2.956 4.141 7.431 1.00 0.00 H new ATOM 0 H3' G A 6 0.286 5.401 6.589 1.00 0.00 H new ATOM 0 H2' G A 6 1.507 6.218 4.590 1.00 0.00 H new ATOM 0 HO2' G A 6 3.368 6.979 4.863 1.00 0.00 H new ATOM 0 H1' G A 6 3.106 3.940 4.200 1.00 0.00 H new ATOM 0 H8 G A 6 -0.557 3.180 4.748 1.00 0.00 H new ATOM 0 H1 G A 6 0.765 5.130 -1.241 1.00 0.00 H new ATOM 0 H21 G A 6 4.028 5.498 -0.049 1.00 0.00 H new ATOM 0 H22 G A 6 2.929 5.583 -1.429 1.00 0.00 H new ATOM 195 P G A 7 1.061 7.868 7.337 1.00 0.00 P ATOM 196 OP1 G A 7 1.517 8.677 8.491 1.00 0.00 O ATOM 197 OP2 G A 7 -0.385 7.752 7.088 1.00 0.00 O ATOM 198 O5' G A 7 1.720 8.407 5.988 1.00 0.00 O ATOM 199 C5' G A 7 2.677 9.437 5.977 1.00 0.00 C ATOM 200 C4' G A 7 3.207 9.693 4.556 1.00 0.00 C ATOM 201 O4' G A 7 3.213 8.486 3.788 1.00 0.00 O ATOM 202 C3' G A 7 2.401 10.712 3.736 1.00 0.00 C ATOM 203 O3' G A 7 2.770 12.083 3.833 1.00 0.00 O ATOM 204 C2' G A 7 2.738 10.267 2.323 1.00 0.00 C ATOM 205 O2' G A 7 4.031 10.741 2.000 1.00 0.00 O ATOM 206 C1' G A 7 2.733 8.751 2.464 1.00 0.00 C ATOM 207 N9 G A 7 1.356 8.245 2.213 1.00 0.00 N ATOM 208 C8 G A 7 0.376 7.877 3.098 1.00 0.00 C ATOM 209 N7 G A 7 -0.757 7.555 2.546 1.00 0.00 N ATOM 210 C5 G A 7 -0.522 7.690 1.185 1.00 0.00 C ATOM 211 C6 G A 7 -1.408 7.522 0.070 1.00 0.00 C ATOM 212 O6 G A 7 -2.610 7.238 0.071 1.00 0.00 O ATOM 213 N1 G A 7 -0.777 7.770 -1.143 1.00 0.00 N ATOM 214 C2 G A 7 0.506 8.258 -1.264 1.00 0.00 C ATOM 215 N2 G A 7 0.874 8.767 -2.432 1.00 0.00 N ATOM 216 N3 G A 7 1.334 8.446 -0.226 1.00 0.00 N ATOM 217 C4 G A 7 0.773 8.113 0.973 1.00 0.00 C ATOM 0 H5' G A 7 3.506 9.173 6.634 1.00 0.00 H new ATOM 0 H5'' G A 7 2.235 10.351 6.373 1.00 0.00 H new ATOM 0 H4' G A 7 4.206 10.094 4.725 1.00 0.00 H new ATOM 0 H3' G A 7 1.365 10.705 4.074 1.00 0.00 H new ATOM 0 H2' G A 7 2.064 10.627 1.546 1.00 0.00 H new ATOM 0 HO2' G A 7 4.237 11.528 2.546 1.00 0.00 H new ATOM 0 H1' G A 7 3.371 8.239 1.744 1.00 0.00 H new ATOM 0 H8 G A 7 0.532 7.856 4.166 1.00 0.00 H new ATOM 0 H1 G A 7 -1.297 7.578 -1.999 1.00 0.00 H new ATOM 0 H21 G A 7 1.817 9.136 -2.553 1.00 0.00 H new ATOM 0 H22 G A 7 0.214 8.789 -3.209 1.00 0.00 H new ATOM 229 P C A 8 2.507 12.939 5.151 1.00 0.00 P ATOM 230 OP1 C A 8 2.475 14.355 4.755 1.00 0.00 O ATOM 231 OP2 C A 8 3.503 12.528 6.163 1.00 0.00 O ATOM 232 O5' C A 8 1.040 12.506 5.604 1.00 0.00 O ATOM 233 C5' C A 8 -0.059 12.942 4.833 1.00 0.00 C ATOM 234 C4' C A 8 -1.387 12.231 5.106 1.00 0.00 C ATOM 235 O4' C A 8 -2.196 12.569 3.996 1.00 0.00 O ATOM 236 C3' C A 8 -1.377 10.697 5.178 1.00 0.00 C ATOM 237 O3' C A 8 -1.214 10.259 6.520 1.00 0.00 O ATOM 238 C2' C A 8 -2.766 10.373 4.628 1.00 0.00 C ATOM 239 O2' C A 8 -3.732 10.485 5.650 1.00 0.00 O ATOM 240 C1' C A 8 -3.037 11.491 3.623 1.00 0.00 C ATOM 241 N1 C A 8 -2.783 11.155 2.194 1.00 0.00 N ATOM 242 C2 C A 8 -3.874 11.160 1.309 1.00 0.00 C ATOM 243 O2 C A 8 -5.023 11.396 1.695 1.00 0.00 O ATOM 244 N3 C A 8 -3.644 10.956 -0.022 1.00 0.00 N ATOM 245 C4 C A 8 -2.415 10.688 -0.461 1.00 0.00 C ATOM 246 N4 C A 8 -2.267 10.456 -1.759 1.00 0.00 N ATOM 247 C5 C A 8 -1.272 10.768 0.395 1.00 0.00 C ATOM 248 C6 C A 8 -1.504 10.981 1.712 1.00 0.00 C ATOM 0 H5' C A 8 0.188 12.817 3.779 1.00 0.00 H new ATOM 0 H5'' C A 8 -0.198 14.010 5.004 1.00 0.00 H new ATOM 0 H4' C A 8 -1.713 12.550 6.096 1.00 0.00 H new ATOM 0 H3' C A 8 -0.567 10.212 4.634 1.00 0.00 H new ATOM 0 H2' C A 8 -2.812 9.368 4.209 1.00 0.00 H new ATOM 0 HO2' C A 8 -3.297 10.393 6.523 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.051 9.293 6.531 1.00 0.00 H new ATOM 0 H1' C A 8 -4.103 11.714 3.666 1.00 0.00 H new ATOM 0 H41 C A 8 -1.343 10.247 -2.138 1.00 0.00 H new ATOM 0 H42 C A 8 -3.077 10.487 -2.378 1.00 0.00 H new ATOM 0 H5 C A 8 -0.269 10.663 0.008 1.00 0.00 H new ATOM 0 H6 C A 8 -0.670 11.015 2.398 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.953 10.779 -6.440 1.00 0.00 O ATOM 263 C5' G B 101 -8.978 9.806 -6.784 1.00 0.00 C ATOM 264 C4' G B 101 -7.911 10.336 -7.756 1.00 0.00 C ATOM 265 O4' G B 101 -7.331 11.553 -7.291 1.00 0.00 O ATOM 266 C3' G B 101 -6.770 9.312 -7.886 1.00 0.00 C ATOM 267 O3' G B 101 -6.650 8.832 -9.220 1.00 0.00 O ATOM 268 C2' G B 101 -5.527 10.105 -7.470 1.00 0.00 C ATOM 269 O2' G B 101 -4.892 10.592 -8.635 1.00 0.00 O ATOM 270 C1' G B 101 -6.084 11.279 -6.663 1.00 0.00 C ATOM 271 N9 G B 101 -6.265 11.024 -5.205 1.00 0.00 N ATOM 272 C8 G B 101 -5.929 9.923 -4.451 1.00 0.00 C ATOM 273 N7 G B 101 -6.178 10.047 -3.179 1.00 0.00 N ATOM 274 C5 G B 101 -6.698 11.330 -3.056 1.00 0.00 C ATOM 275 C6 G B 101 -7.146 12.047 -1.895 1.00 0.00 C ATOM 276 O6 G B 101 -7.186 11.682 -0.722 1.00 0.00 O ATOM 277 N1 G B 101 -7.584 13.329 -2.186 1.00 0.00 N ATOM 278 C2 G B 101 -7.582 13.868 -3.450 1.00 0.00 C ATOM 279 N2 G B 101 -8.118 15.069 -3.627 1.00 0.00 N ATOM 280 N3 G B 101 -7.146 13.225 -4.546 1.00 0.00 N ATOM 281 C4 G B 101 -6.724 11.949 -4.287 1.00 0.00 C ATOM 0 H5' G B 101 -9.475 8.946 -7.233 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.490 9.453 -5.876 1.00 0.00 H new ATOM 0 H4' G B 101 -8.408 10.507 -8.711 1.00 0.00 H new ATOM 0 H3' G B 101 -6.932 8.424 -7.275 1.00 0.00 H new ATOM 0 H2' G B 101 -4.805 9.514 -6.905 1.00 0.00 H new ATOM 0 HO2' G B 101 -5.196 10.079 -9.412 1.00 0.00 H new ATOM 0 HO5' G B 101 -9.582 11.676 -6.576 1.00 0.00 H new ATOM 0 H1' G B 101 -5.378 12.110 -6.673 1.00 0.00 H new ATOM 0 H8 G B 101 -5.495 9.031 -4.878 1.00 0.00 H new ATOM 0 H1 G B 101 -7.928 13.906 -1.418 1.00 0.00 H new ATOM 0 H21 G B 101 -8.129 15.491 -4.556 1.00 0.00 H new ATOM 0 H22 G B 101 -8.519 15.570 -2.834 1.00 0.00 H new ATOM 294 P C B 102 -6.090 7.369 -9.527 1.00 0.00 P ATOM 295 OP1 C B 102 -6.186 7.115 -10.976 1.00 0.00 O ATOM 296 OP2 C B 102 -6.673 6.420 -8.559 1.00 0.00 O ATOM 297 O5' C B 102 -4.564 7.526 -9.155 1.00 0.00 O ATOM 298 C5' C B 102 -3.589 7.827 -10.132 1.00 0.00 C ATOM 299 C4' C B 102 -2.273 8.118 -9.440 1.00 0.00 C ATOM 300 O4' C B 102 -2.480 8.897 -8.270 1.00 0.00 O ATOM 301 C3' C B 102 -1.620 6.814 -9.011 1.00 0.00 C ATOM 302 O3' C B 102 -0.914 6.207 -10.085 1.00 0.00 O ATOM 303 C2' C B 102 -0.739 7.354 -7.899 1.00 0.00 C ATOM 304 O2' C B 102 0.432 7.907 -8.458 1.00 0.00 O ATOM 305 C1' C B 102 -1.582 8.456 -7.264 1.00 0.00 C ATOM 306 N1 C B 102 -2.274 7.998 -6.019 1.00 0.00 N ATOM 307 C2 C B 102 -1.755 8.414 -4.788 1.00 0.00 C ATOM 308 O2 C B 102 -0.804 9.196 -4.705 1.00 0.00 O ATOM 309 N3 C B 102 -2.325 7.990 -3.629 1.00 0.00 N ATOM 310 C4 C B 102 -3.382 7.171 -3.652 1.00 0.00 C ATOM 311 N4 C B 102 -3.879 6.781 -2.487 1.00 0.00 N ATOM 312 C5 C B 102 -3.952 6.733 -4.893 1.00 0.00 C ATOM 313 C6 C B 102 -3.369 7.162 -6.044 1.00 0.00 C ATOM 0 H5' C B 102 -3.902 8.687 -10.724 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.475 6.990 -10.821 1.00 0.00 H new ATOM 0 H4' C B 102 -1.640 8.661 -10.142 1.00 0.00 H new ATOM 0 H3' C B 102 -2.284 6.008 -8.698 1.00 0.00 H new ATOM 0 H2' C B 102 -0.435 6.591 -7.182 1.00 0.00 H new ATOM 0 HO2' C B 102 1.210 7.384 -8.172 1.00 0.00 H new ATOM 0 H1' C B 102 -0.957 9.282 -6.926 1.00 0.00 H new ATOM 0 H41 C B 102 -4.685 6.156 -2.460 1.00 0.00 H new ATOM 0 H42 C B 102 -3.456 7.105 -1.618 1.00 0.00 H new ATOM 0 H5 C B 102 -4.815 6.084 -4.913 1.00 0.00 H new ATOM 0 H6 C B 102 -3.771 6.842 -6.994 1.00 0.00 H new ATOM 325 P C B 103 -0.451 4.680 -10.023 1.00 0.00 P ATOM 326 OP1 C B 103 -0.095 4.234 -11.389 1.00 0.00 O ATOM 327 OP2 C B 103 -1.461 3.926 -9.257 1.00 0.00 O ATOM 328 O5' C B 103 0.878 4.775 -9.151 1.00 0.00 O ATOM 329 C5' C B 103 2.104 5.216 -9.687 1.00 0.00 C ATOM 330 C4' C B 103 3.109 5.471 -8.555 1.00 0.00 C ATOM 331 O4' C B 103 2.633 6.395 -7.571 1.00 0.00 O ATOM 332 C3' C B 103 3.548 4.226 -7.781 1.00 0.00 C ATOM 333 O3' C B 103 4.624 3.568 -8.423 1.00 0.00 O ATOM 334 C2' C B 103 4.058 4.890 -6.500 1.00 0.00 C ATOM 335 O2' C B 103 5.329 5.433 -6.803 1.00 0.00 O ATOM 336 C1' C B 103 3.045 5.999 -6.254 1.00 0.00 C ATOM 337 N1 C B 103 1.924 5.531 -5.372 1.00 0.00 N ATOM 338 C2 C B 103 2.033 5.700 -3.979 1.00 0.00 C ATOM 339 O2 C B 103 3.071 6.125 -3.454 1.00 0.00 O ATOM 340 N3 C B 103 0.963 5.403 -3.178 1.00 0.00 N ATOM 341 C4 C B 103 -0.172 4.930 -3.717 1.00 0.00 C ATOM 342 N4 C B 103 -1.219 4.702 -2.945 1.00 0.00 N ATOM 343 C5 C B 103 -0.302 4.710 -5.119 1.00 0.00 C ATOM 344 C6 C B 103 0.765 5.004 -5.893 1.00 0.00 C ATOM 0 H5' C B 103 1.952 6.129 -10.262 1.00 0.00 H new ATOM 0 H5'' C B 103 2.500 4.469 -10.375 1.00 0.00 H new ATOM 0 H4' C B 103 3.957 5.876 -9.107 1.00 0.00 H new ATOM 0 H3' C B 103 2.770 3.472 -7.663 1.00 0.00 H new ATOM 0 H2' C B 103 4.156 4.232 -5.637 1.00 0.00 H new ATOM 0 HO2' C B 103 5.727 4.937 -7.549 1.00 0.00 H new ATOM 0 H1' C B 103 3.454 6.849 -5.708 1.00 0.00 H new ATOM 0 H41 C B 103 -2.083 4.343 -3.351 1.00 0.00 H new ATOM 0 H42 C B 103 -1.163 4.885 -1.943 1.00 0.00 H new ATOM 0 H5 C B 103 -1.216 4.324 -5.545 1.00 0.00 H new ATOM 0 H6 C B 103 0.706 4.819 -6.955 1.00 0.00 H new ATOM 356 P A B 104 5.023 2.079 -8.033 1.00 0.00 P ATOM 357 OP1 A B 104 6.200 1.729 -8.847 1.00 0.00 O ATOM 358 OP2 A B 104 3.827 1.215 -8.083 1.00 0.00 O ATOM 359 O5' A B 104 5.505 2.145 -6.520 1.00 0.00 O ATOM 360 C5' A B 104 6.819 2.547 -6.177 1.00 0.00 C ATOM 361 C4' A B 104 6.982 2.574 -4.657 1.00 0.00 C ATOM 362 O4' A B 104 6.005 3.375 -4.009 1.00 0.00 O ATOM 363 C3' A B 104 6.880 1.185 -4.040 1.00 0.00 C ATOM 364 O3' A B 104 8.141 0.535 -4.075 1.00 0.00 O ATOM 365 C2' A B 104 6.487 1.537 -2.615 1.00 0.00 C ATOM 366 O2' A B 104 7.678 1.841 -1.920 1.00 0.00 O ATOM 367 C1' A B 104 5.583 2.751 -2.793 1.00 0.00 C ATOM 368 N9 A B 104 4.151 2.363 -2.878 1.00 0.00 N ATOM 369 C8 A B 104 3.353 2.252 -3.990 1.00 0.00 C ATOM 370 N7 A B 104 2.088 2.059 -3.743 1.00 0.00 N ATOM 371 C5 A B 104 2.061 1.949 -2.358 1.00 0.00 C ATOM 372 C6 A B 104 1.011 1.752 -1.438 1.00 0.00 C ATOM 373 N6 A B 104 -0.270 1.689 -1.791 1.00 0.00 N ATOM 374 N1 A B 104 1.317 1.630 -0.141 1.00 0.00 N ATOM 375 C2 A B 104 2.583 1.689 0.251 1.00 0.00 C ATOM 376 N3 A B 104 3.672 1.899 -0.502 1.00 0.00 N ATOM 377 C4 A B 104 3.328 2.032 -1.822 1.00 0.00 C ATOM 0 H5' A B 104 7.025 3.535 -6.590 1.00 0.00 H new ATOM 0 H5'' A B 104 7.543 1.861 -6.616 1.00 0.00 H new ATOM 0 H4' A B 104 7.976 2.995 -4.504 1.00 0.00 H new ATOM 0 H3' A B 104 6.190 0.507 -4.543 1.00 0.00 H new ATOM 0 H2' A B 104 5.977 0.755 -2.052 1.00 0.00 H new ATOM 0 HO2' A B 104 8.431 1.377 -2.342 1.00 0.00 H new ATOM 0 H1' A B 104 5.665 3.423 -1.938 1.00 0.00 H new ATOM 0 H8 A B 104 3.744 2.320 -4.994 1.00 0.00 H new ATOM 0 H61 A B 104 -0.988 1.545 -1.081 1.00 0.00 H new ATOM 0 H62 A B 104 -0.534 1.785 -2.772 1.00 0.00 H new ATOM 0 H2 A B 104 2.758 1.551 1.308 1.00 0.00 H new ATOM 389 P DC B 105 8.241 -1.000 -4.488 1.00 0.00 P ATOM 390 OP1 DC B 105 9.684 -1.267 -4.668 1.00 0.00 O ATOM 391 OP2 DC B 105 7.316 -1.236 -5.614 1.00 0.00 O ATOM 392 O5' DC B 105 7.689 -1.722 -3.177 1.00 0.00 O ATOM 393 C5' DC B 105 8.508 -1.907 -2.036 1.00 0.00 C ATOM 394 C4' DC B 105 7.704 -2.014 -0.735 1.00 0.00 C ATOM 395 O4' DC B 105 6.740 -0.975 -0.679 1.00 0.00 O ATOM 396 C3' DC B 105 6.969 -3.336 -0.509 1.00 0.00 C ATOM 397 O3' DC B 105 7.798 -4.285 0.145 1.00 0.00 O ATOM 398 C2' DC B 105 5.860 -2.866 0.425 1.00 0.00 C ATOM 399 C1' DC B 105 5.559 -1.452 -0.044 1.00 0.00 C ATOM 400 N1 DC B 105 4.353 -1.435 -0.922 1.00 0.00 N ATOM 401 C2 DC B 105 3.094 -1.538 -0.318 1.00 0.00 C ATOM 402 O2 DC B 105 2.970 -1.645 0.906 1.00 0.00 O ATOM 403 N3 DC B 105 1.975 -1.521 -1.088 1.00 0.00 N ATOM 404 C4 DC B 105 2.070 -1.374 -2.410 1.00 0.00 C ATOM 405 N4 DC B 105 0.936 -1.283 -3.082 1.00 0.00 N ATOM 406 C5 DC B 105 3.340 -1.274 -3.067 1.00 0.00 C ATOM 407 C6 DC B 105 4.451 -1.324 -2.287 1.00 0.00 C ATOM 0 H5' DC B 105 9.207 -1.074 -1.958 1.00 0.00 H new ATOM 0 H5'' DC B 105 9.103 -2.811 -2.165 1.00 0.00 H new ATOM 0 H4' DC B 105 8.458 -1.940 0.049 1.00 0.00 H new ATOM 0 H3' DC B 105 6.637 -3.833 -1.421 1.00 0.00 H new ATOM 0 H2' DC B 105 4.980 -3.506 0.354 1.00 0.00 H new ATOM 0 H2'' DC B 105 6.182 -2.881 1.466 1.00 0.00 H new ATOM 0 H1' DC B 105 5.309 -0.787 0.783 1.00 0.00 H new ATOM 0 H41 DC B 105 0.952 -1.169 -4.096 1.00 0.00 H new ATOM 0 H42 DC B 105 0.045 -1.326 -2.587 1.00 0.00 H new ATOM 0 H5 DC B 105 3.411 -1.163 -4.139 1.00 0.00 H new ATOM 0 H6 DC B 105 5.427 -1.276 -2.748 1.00 0.00 H new ATOM 419 P DT B 106 7.373 -5.825 0.267 1.00 0.00 P ATOM 420 OP1 DT B 106 8.421 -6.487 1.074 1.00 0.00 O ATOM 421 OP2 DT B 106 7.091 -6.359 -1.079 1.00 0.00 O ATOM 422 O5' DT B 106 6.002 -5.916 1.072 1.00 0.00 O ATOM 423 C5' DT B 106 5.961 -5.832 2.486 1.00 0.00 C ATOM 424 C4' DT B 106 4.547 -6.020 3.039 1.00 0.00 C ATOM 425 O4' DT B 106 3.638 -5.097 2.461 1.00 0.00 O ATOM 426 C3' DT B 106 4.011 -7.422 2.759 1.00 0.00 C ATOM 427 O3' DT B 106 4.406 -8.347 3.765 1.00 0.00 O ATOM 428 C2' DT B 106 2.511 -7.165 2.760 1.00 0.00 C ATOM 429 C1' DT B 106 2.366 -5.720 2.298 1.00 0.00 C ATOM 430 N1 DT B 106 1.897 -5.654 0.888 1.00 0.00 N ATOM 431 C2 DT B 106 0.534 -5.829 0.640 1.00 0.00 C ATOM 432 O2 DT B 106 -0.259 -6.222 1.498 1.00 0.00 O ATOM 433 N3 DT B 106 0.102 -5.538 -0.639 1.00 0.00 N ATOM 434 C4 DT B 106 0.901 -5.135 -1.694 1.00 0.00 C ATOM 435 O4 DT B 106 0.382 -4.842 -2.773 1.00 0.00 O ATOM 436 C5 DT B 106 2.325 -5.099 -1.387 1.00 0.00 C ATOM 437 C7 DT B 106 3.318 -4.769 -2.478 1.00 0.00 C ATOM 438 C6 DT B 106 2.770 -5.366 -0.132 1.00 0.00 C ATOM 0 H5' DT B 106 6.346 -4.862 2.801 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.619 -6.590 2.912 1.00 0.00 H new ATOM 0 H4' DT B 106 4.623 -5.857 4.114 1.00 0.00 H new ATOM 0 H3' DT B 106 4.380 -7.873 1.838 1.00 0.00 H new ATOM 0 H2' DT B 106 1.992 -7.849 2.089 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.085 -7.308 3.753 1.00 0.00 H new ATOM 0 H1' DT B 106 1.615 -5.198 2.891 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.897 -5.628 -0.823 1.00 0.00 H new ATOM 0 H71 DT B 106 4.187 -4.276 -2.042 1.00 0.00 H new ATOM 0 H72 DT B 106 3.632 -5.687 -2.974 1.00 0.00 H new ATOM 0 H73 DT B 106 2.852 -4.105 -3.206 1.00 0.00 H new ATOM 0 H6 DT B 106 3.831 -5.352 0.068 1.00 0.00 H new ATOM 451 P DG B 107 4.057 -9.909 3.634 1.00 0.00 P ATOM 452 OP1 DG B 107 4.763 -10.633 4.710 1.00 0.00 O ATOM 453 OP2 DG B 107 4.293 -10.358 2.249 1.00 0.00 O ATOM 454 O5' DG B 107 2.503 -10.045 3.916 1.00 0.00 O ATOM 455 C5' DG B 107 1.976 -9.931 5.227 1.00 0.00 C ATOM 456 C4' DG B 107 0.483 -10.259 5.198 1.00 0.00 C ATOM 457 O4' DG B 107 -0.176 -9.356 4.310 1.00 0.00 O ATOM 458 C3' DG B 107 0.222 -11.689 4.704 1.00 0.00 C ATOM 459 O3' DG B 107 0.185 -12.627 5.783 1.00 0.00 O ATOM 460 C2' DG B 107 -1.105 -11.509 3.974 1.00 0.00 C ATOM 461 C1' DG B 107 -1.222 -10.031 3.620 1.00 0.00 C ATOM 462 N9 DG B 107 -1.093 -9.848 2.153 1.00 0.00 N ATOM 463 C8 DG B 107 0.051 -9.916 1.401 1.00 0.00 C ATOM 464 N7 DG B 107 -0.133 -9.764 0.117 1.00 0.00 N ATOM 465 C5 DG B 107 -1.509 -9.582 0.006 1.00 0.00 C ATOM 466 C6 DG B 107 -2.311 -9.357 -1.161 1.00 0.00 C ATOM 467 O6 DG B 107 -1.934 -9.190 -2.326 1.00 0.00 O ATOM 468 N1 DG B 107 -3.670 -9.350 -0.881 1.00 0.00 N ATOM 469 C2 DG B 107 -4.198 -9.475 0.382 1.00 0.00 C ATOM 470 N2 DG B 107 -5.515 -9.404 0.512 1.00 0.00 N ATOM 471 N3 DG B 107 -3.464 -9.638 1.498 1.00 0.00 N ATOM 472 C4 DG B 107 -2.117 -9.689 1.241 1.00 0.00 C ATOM 0 H5' DG B 107 2.132 -8.922 5.608 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.497 -10.610 5.902 1.00 0.00 H new ATOM 0 H4' DG B 107 0.103 -10.166 6.216 1.00 0.00 H new ATOM 0 H3' DG B 107 0.998 -12.110 4.065 1.00 0.00 H new ATOM 0 H2' DG B 107 -1.137 -12.125 3.075 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.937 -11.822 4.604 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.192 -9.629 3.913 1.00 0.00 H new ATOM 0 H8 DG B 107 1.026 -10.082 1.835 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.318 -9.246 -1.662 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.942 -9.493 1.434 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.102 -9.261 -0.310 1.00 0.00 H new ATOM 484 P DC B 108 -0.243 -14.163 5.596 1.00 0.00 P ATOM 485 OP1 DC B 108 0.137 -14.911 6.813 1.00 0.00 O ATOM 486 OP2 DC B 108 0.280 -14.644 4.306 1.00 0.00 O ATOM 487 O5' DC B 108 -1.821 -14.165 5.500 1.00 0.00 O ATOM 488 C5' DC B 108 -2.615 -13.613 6.531 1.00 0.00 C ATOM 489 C4' DC B 108 -4.080 -14.023 6.364 1.00 0.00 C ATOM 490 O4' DC B 108 -4.602 -13.554 5.134 1.00 0.00 O ATOM 491 C3' DC B 108 -4.254 -15.551 6.381 1.00 0.00 C ATOM 492 O3' DC B 108 -5.468 -15.953 7.003 1.00 0.00 O ATOM 493 C2' DC B 108 -4.301 -15.886 4.894 1.00 0.00 C ATOM 494 C1' DC B 108 -4.983 -14.647 4.313 1.00 0.00 C ATOM 495 N1 DC B 108 -4.576 -14.397 2.906 1.00 0.00 N ATOM 496 C2 DC B 108 -5.392 -14.833 1.865 1.00 0.00 C ATOM 497 O2 DC B 108 -6.433 -15.472 2.077 1.00 0.00 O ATOM 498 N3 DC B 108 -5.029 -14.571 0.570 1.00 0.00 N ATOM 499 C4 DC B 108 -3.909 -13.872 0.307 1.00 0.00 C ATOM 500 N4 DC B 108 -3.541 -13.724 -0.956 1.00 0.00 N ATOM 501 C5 DC B 108 -3.039 -13.448 1.358 1.00 0.00 C ATOM 502 C6 DC B 108 -3.408 -13.738 2.628 1.00 0.00 C ATOM 0 H5' DC B 108 -2.533 -12.526 6.518 1.00 0.00 H new ATOM 0 H5'' DC B 108 -2.246 -13.949 7.500 1.00 0.00 H new ATOM 0 H4' DC B 108 -4.614 -13.580 7.205 1.00 0.00 H new ATOM 0 H3' DC B 108 -3.466 -16.053 6.942 1.00 0.00 H new ATOM 0 H2' DC B 108 -3.305 -16.037 4.478 1.00 0.00 H new ATOM 0 H2'' DC B 108 -4.870 -16.795 4.698 1.00 0.00 H new ATOM 0 HO3' DC B 108 -5.535 -16.931 6.988 1.00 0.00 H new ATOM 0 H1' DC B 108 -6.064 -14.787 4.300 1.00 0.00 H new ATOM 0 H41 DC B 108 -2.697 -13.199 -1.183 1.00 0.00 H new ATOM 0 H42 DC B 108 -4.102 -14.135 -1.702 1.00 0.00 H new ATOM 0 H5 DC B 108 -2.123 -12.917 1.148 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.764 -13.442 3.443 1.00 0.00 H new TER 515 DC B 108