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 -122:sc= 0.627 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -18:sc= 0.46 USER MOD Single : A 3 A O2' : rot -24:sc= 0.333 USER MOD Single : A 4 G O2' : rot -30:sc= 0.168 USER MOD Single : A 5 U O2' : rot -19:sc= 0.141 USER MOD Single : A 6 G O2' : rot -123:sc= 0.639 USER MOD Single : A 7 G O2' : rot -25:sc= 0.407 USER MOD Single : A 8 C O2' : rot -23:sc= 0.479 USER MOD Single : A 8 C O3' : rot 180:sc= 0.305 USER MOD Single : B 101 G O2' : rot -11:sc= 0.593 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -24:sc= 0.264 USER MOD Single : B 103 C O2' : rot -123:sc= 0.368 USER MOD Single : B 104 A O2' : rot -27:sc= 0.0596 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.509 (180deg=-0.509) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.117 -15.273 -10.205 1.00 0.00 O ATOM 2 C5' G A 1 -7.094 -13.866 -10.038 1.00 0.00 C ATOM 3 C4' G A 1 -7.669 -13.495 -8.672 1.00 0.00 C ATOM 4 O4' G A 1 -6.862 -13.966 -7.615 1.00 0.00 O ATOM 5 C3' G A 1 -7.718 -11.988 -8.489 1.00 0.00 C ATOM 6 O3' G A 1 -8.797 -11.429 -9.207 1.00 0.00 O ATOM 7 C2' G A 1 -7.908 -11.921 -6.979 1.00 0.00 C ATOM 8 O2' G A 1 -9.271 -12.092 -6.616 1.00 0.00 O ATOM 9 C1' G A 1 -7.061 -13.102 -6.501 1.00 0.00 C ATOM 10 N9 G A 1 -5.764 -12.643 -5.962 1.00 0.00 N ATOM 11 C8 G A 1 -4.540 -12.543 -6.575 1.00 0.00 C ATOM 12 N7 G A 1 -3.579 -12.147 -5.784 1.00 0.00 N ATOM 13 C5 G A 1 -4.215 -11.962 -4.560 1.00 0.00 C ATOM 14 C6 G A 1 -3.688 -11.543 -3.297 1.00 0.00 C ATOM 15 O6 G A 1 -2.520 -11.269 -3.009 1.00 0.00 O ATOM 16 N1 G A 1 -4.668 -11.450 -2.314 1.00 0.00 N ATOM 17 C2 G A 1 -6.002 -11.719 -2.526 1.00 0.00 C ATOM 18 N2 G A 1 -6.869 -11.511 -1.541 1.00 0.00 N ATOM 19 N3 G A 1 -6.507 -12.139 -3.691 1.00 0.00 N ATOM 20 C4 G A 1 -5.559 -12.241 -4.669 1.00 0.00 C ATOM 0 H5' G A 1 -7.673 -13.388 -10.828 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.072 -13.497 -10.124 1.00 0.00 H new ATOM 0 H4' G A 1 -8.661 -13.945 -8.646 1.00 0.00 H new ATOM 0 H3' G A 1 -6.855 -11.432 -8.854 1.00 0.00 H new ATOM 0 H2' G A 1 -7.621 -10.963 -6.546 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.576 -11.309 -6.111 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.749 -15.504 -11.083 1.00 0.00 H new ATOM 0 H1' G A 1 -7.573 -13.627 -5.695 1.00 0.00 H new ATOM 0 H8 G A 1 -4.385 -12.772 -7.619 1.00 0.00 H new ATOM 0 H1 G A 1 -4.381 -11.165 -1.378 1.00 0.00 H new ATOM 0 H21 G A 1 -7.860 -11.706 -1.684 1.00 0.00 H new ATOM 0 H22 G A 1 -6.544 -11.156 -0.642 1.00 0.00 H new ATOM 33 P C A 2 -8.858 -9.872 -9.498 1.00 0.00 P ATOM 34 OP1 C A 2 -10.125 -9.648 -10.228 1.00 0.00 O ATOM 35 OP2 C A 2 -7.581 -9.515 -10.146 1.00 0.00 O ATOM 36 O5' C A 2 -8.956 -9.170 -8.072 1.00 0.00 O ATOM 37 C5' C A 2 -10.213 -8.899 -7.482 1.00 0.00 C ATOM 38 C4' C A 2 -10.102 -8.592 -5.988 1.00 0.00 C ATOM 39 O4' C A 2 -9.274 -9.544 -5.304 1.00 0.00 O ATOM 40 C3' C A 2 -9.615 -7.186 -5.599 1.00 0.00 C ATOM 41 O3' C A 2 -10.644 -6.200 -5.496 1.00 0.00 O ATOM 42 C2' C A 2 -9.180 -7.514 -4.179 1.00 0.00 C ATOM 43 O2' C A 2 -10.384 -7.554 -3.430 1.00 0.00 O ATOM 44 C1' C A 2 -8.561 -8.891 -4.244 1.00 0.00 C ATOM 45 N1 C A 2 -7.086 -8.768 -4.455 1.00 0.00 N ATOM 46 C2 C A 2 -6.267 -8.582 -3.339 1.00 0.00 C ATOM 47 O2 C A 2 -6.727 -8.561 -2.196 1.00 0.00 O ATOM 48 N3 C A 2 -4.917 -8.460 -3.500 1.00 0.00 N ATOM 49 C4 C A 2 -4.377 -8.512 -4.725 1.00 0.00 C ATOM 50 N4 C A 2 -3.065 -8.362 -4.831 1.00 0.00 N ATOM 51 C5 C A 2 -5.182 -8.720 -5.889 1.00 0.00 C ATOM 52 C6 C A 2 -6.522 -8.797 -5.704 1.00 0.00 C ATOM 0 H5' C A 2 -10.871 -9.756 -7.626 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.675 -8.053 -7.991 1.00 0.00 H new ATOM 0 H4' C A 2 -11.144 -8.656 -5.674 1.00 0.00 H new ATOM 0 H3' C A 2 -8.904 -6.769 -6.312 1.00 0.00 H new ATOM 0 H2' C A 2 -8.473 -6.809 -3.742 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.095 -7.100 -3.929 1.00 0.00 H new ATOM 0 H1' C A 2 -8.648 -9.479 -3.330 1.00 0.00 H new ATOM 0 H41 C A 2 -2.620 -8.396 -5.748 1.00 0.00 H new ATOM 0 H42 C A 2 -2.500 -8.212 -3.995 1.00 0.00 H new ATOM 0 H5 C A 2 -4.742 -8.812 -6.871 1.00 0.00 H new ATOM 0 H6 C A 2 -7.165 -8.884 -6.567 1.00 0.00 H new ATOM 64 P A A 3 -10.303 -4.647 -5.208 1.00 0.00 P ATOM 65 OP1 A A 3 -11.585 -3.940 -5.063 1.00 0.00 O ATOM 66 OP2 A A 3 -9.343 -4.184 -6.219 1.00 0.00 O ATOM 67 O5' A A 3 -9.586 -4.595 -3.768 1.00 0.00 O ATOM 68 C5' A A 3 -10.366 -4.558 -2.582 1.00 0.00 C ATOM 69 C4' A A 3 -9.618 -5.029 -1.323 1.00 0.00 C ATOM 70 O4' A A 3 -8.665 -6.052 -1.564 1.00 0.00 O ATOM 71 C3' A A 3 -8.902 -3.934 -0.537 1.00 0.00 C ATOM 72 O3' A A 3 -9.786 -3.295 0.368 1.00 0.00 O ATOM 73 C2' A A 3 -7.894 -4.770 0.248 1.00 0.00 C ATOM 74 O2' A A 3 -8.556 -5.324 1.371 1.00 0.00 O ATOM 75 C1' A A 3 -7.522 -5.862 -0.744 1.00 0.00 C ATOM 76 N9 A A 3 -6.350 -5.449 -1.541 1.00 0.00 N ATOM 77 C8 A A 3 -6.274 -5.152 -2.879 1.00 0.00 C ATOM 78 N7 A A 3 -5.061 -4.915 -3.307 1.00 0.00 N ATOM 79 C5 A A 3 -4.283 -5.055 -2.160 1.00 0.00 C ATOM 80 C6 A A 3 -2.895 -4.975 -1.917 1.00 0.00 C ATOM 81 N6 A A 3 -2.008 -4.716 -2.873 1.00 0.00 N ATOM 82 N1 A A 3 -2.433 -5.218 -0.681 1.00 0.00 N ATOM 83 C2 A A 3 -3.299 -5.505 0.288 1.00 0.00 C ATOM 84 N3 A A 3 -4.624 -5.615 0.199 1.00 0.00 N ATOM 85 C4 A A 3 -5.059 -5.375 -1.074 1.00 0.00 C ATOM 0 H5' A A 3 -11.249 -5.181 -2.721 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.717 -3.539 -2.423 1.00 0.00 H new ATOM 0 H4' A A 3 -10.445 -5.411 -0.725 1.00 0.00 H new ATOM 0 H3' A A 3 -8.481 -3.142 -1.157 1.00 0.00 H new ATOM 0 H2' A A 3 -7.028 -4.219 0.614 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.329 -4.768 1.602 1.00 0.00 H new ATOM 0 H1' A A 3 -7.247 -6.790 -0.244 1.00 0.00 H new ATOM 0 H8 A A 3 -7.141 -5.117 -3.523 1.00 0.00 H new ATOM 0 H61 A A 3 -1.014 -4.668 -2.647 1.00 0.00 H new ATOM 0 H62 A A 3 -2.321 -4.565 -3.832 1.00 0.00 H new ATOM 0 H2 A A 3 -2.875 -5.669 1.268 1.00 0.00 H new ATOM 97 P G A 4 -9.398 -1.920 1.061 1.00 0.00 P ATOM 98 OP1 G A 4 -10.548 -1.587 1.931 1.00 0.00 O ATOM 99 OP2 G A 4 -8.965 -0.970 0.026 1.00 0.00 O ATOM 100 O5' G A 4 -8.145 -2.301 1.972 1.00 0.00 O ATOM 101 C5' G A 4 -8.259 -2.627 3.339 1.00 0.00 C ATOM 102 C4' G A 4 -6.944 -3.168 3.924 1.00 0.00 C ATOM 103 O4' G A 4 -6.179 -3.898 2.970 1.00 0.00 O ATOM 104 C3' G A 4 -6.054 -2.059 4.503 1.00 0.00 C ATOM 105 O3' G A 4 -6.354 -1.816 5.869 1.00 0.00 O ATOM 106 C2' G A 4 -4.692 -2.733 4.376 1.00 0.00 C ATOM 107 O2' G A 4 -4.515 -3.681 5.410 1.00 0.00 O ATOM 108 C1' G A 4 -4.815 -3.504 3.075 1.00 0.00 C ATOM 109 N9 G A 4 -4.369 -2.691 1.921 1.00 0.00 N ATOM 110 C8 G A 4 -5.114 -2.116 0.926 1.00 0.00 C ATOM 111 N7 G A 4 -4.417 -1.710 -0.101 1.00 0.00 N ATOM 112 C5 G A 4 -3.102 -1.988 0.267 1.00 0.00 C ATOM 113 C6 G A 4 -1.877 -1.813 -0.454 1.00 0.00 C ATOM 114 O6 G A 4 -1.721 -1.455 -1.625 1.00 0.00 O ATOM 115 N1 G A 4 -0.758 -2.113 0.315 1.00 0.00 N ATOM 116 C2 G A 4 -0.802 -2.594 1.605 1.00 0.00 C ATOM 117 N2 G A 4 0.342 -2.748 2.264 1.00 0.00 N ATOM 118 N3 G A 4 -1.947 -2.848 2.260 1.00 0.00 N ATOM 119 C4 G A 4 -3.061 -2.513 1.540 1.00 0.00 C ATOM 0 H5' G A 4 -9.044 -3.372 3.468 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.565 -1.742 3.897 1.00 0.00 H new ATOM 0 H4' G A 4 -7.256 -3.837 4.726 1.00 0.00 H new ATOM 0 H3' G A 4 -6.154 -1.090 4.013 1.00 0.00 H new ATOM 0 H2' G A 4 -3.869 -2.019 4.418 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.017 -3.398 6.203 1.00 0.00 H new ATOM 0 H1' G A 4 -4.168 -4.381 3.070 1.00 0.00 H new ATOM 0 H8 G A 4 -6.187 -2.008 0.986 1.00 0.00 H new ATOM 0 H1 G A 4 0.160 -1.967 -0.106 1.00 0.00 H new ATOM 0 H21 G A 4 0.336 -3.102 3.220 1.00 0.00 H new ATOM 0 H22 G A 4 1.226 -2.512 1.813 1.00 0.00 H new ATOM 131 P U A 5 -5.879 -0.497 6.624 1.00 0.00 P ATOM 132 OP1 U A 5 -6.324 -0.621 8.024 1.00 0.00 O ATOM 133 OP2 U A 5 -6.343 0.660 5.836 1.00 0.00 O ATOM 134 O5' U A 5 -4.292 -0.452 6.634 1.00 0.00 O ATOM 135 C5' U A 5 -3.508 -1.193 7.550 1.00 0.00 C ATOM 136 C4' U A 5 -2.023 -1.041 7.200 1.00 0.00 C ATOM 137 O4' U A 5 -1.767 -1.556 5.902 1.00 0.00 O ATOM 138 C3' U A 5 -1.520 0.408 7.164 1.00 0.00 C ATOM 139 O3' U A 5 -1.191 0.954 8.432 1.00 0.00 O ATOM 140 C2' U A 5 -0.270 0.233 6.306 1.00 0.00 C ATOM 141 O2' U A 5 0.768 -0.315 7.103 1.00 0.00 O ATOM 142 C1' U A 5 -0.758 -0.772 5.266 1.00 0.00 C ATOM 143 N1 U A 5 -1.267 -0.074 4.053 1.00 0.00 N ATOM 144 C2 U A 5 -0.336 0.262 3.070 1.00 0.00 C ATOM 145 O2 U A 5 0.881 0.183 3.249 1.00 0.00 O ATOM 146 N3 U A 5 -0.848 0.724 1.874 1.00 0.00 N ATOM 147 C4 U A 5 -2.172 1.017 1.615 1.00 0.00 C ATOM 148 O4 U A 5 -2.520 1.410 0.506 1.00 0.00 O ATOM 149 C5 U A 5 -3.054 0.806 2.740 1.00 0.00 C ATOM 150 C6 U A 5 -2.593 0.258 3.889 1.00 0.00 C ATOM 0 H5' U A 5 -3.793 -2.245 7.520 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.690 -0.843 8.566 1.00 0.00 H new ATOM 0 H4' U A 5 -1.508 -1.581 7.994 1.00 0.00 H new ATOM 0 H3' U A 5 -2.270 1.108 6.796 1.00 0.00 H new ATOM 0 H2' U A 5 0.131 1.148 5.870 1.00 0.00 H new ATOM 0 HO2' U A 5 0.564 -0.171 8.051 1.00 0.00 H new ATOM 0 H1' U A 5 0.052 -1.414 4.919 1.00 0.00 H new ATOM 0 H3 U A 5 -0.186 0.862 1.110 1.00 0.00 H new ATOM 0 H5 U A 5 -4.093 1.089 2.663 1.00 0.00 H new ATOM 0 H6 U A 5 -3.284 0.076 4.699 1.00 0.00 H new ATOM 161 P G A 6 -1.010 2.535 8.600 1.00 0.00 P ATOM 162 OP1 G A 6 -0.486 2.759 9.968 1.00 0.00 O ATOM 163 OP2 G A 6 -2.272 3.187 8.197 1.00 0.00 O ATOM 164 O5' G A 6 0.087 2.975 7.540 1.00 0.00 O ATOM 165 C5' G A 6 1.471 2.926 7.824 1.00 0.00 C ATOM 166 C4' G A 6 2.279 3.602 6.713 1.00 0.00 C ATOM 167 O4' G A 6 2.185 2.914 5.471 1.00 0.00 O ATOM 168 C3' G A 6 1.791 5.016 6.422 1.00 0.00 C ATOM 169 O3' G A 6 2.182 5.977 7.391 1.00 0.00 O ATOM 170 C2' G A 6 2.446 5.236 5.066 1.00 0.00 C ATOM 171 O2' G A 6 3.811 5.591 5.206 1.00 0.00 O ATOM 172 C1' G A 6 2.317 3.865 4.411 1.00 0.00 C ATOM 173 N9 G A 6 1.149 3.838 3.499 1.00 0.00 N ATOM 174 C8 G A 6 -0.153 3.498 3.767 1.00 0.00 C ATOM 175 N7 G A 6 -0.968 3.687 2.768 1.00 0.00 N ATOM 176 C5 G A 6 -0.146 4.134 1.738 1.00 0.00 C ATOM 177 C6 G A 6 -0.463 4.462 0.378 1.00 0.00 C ATOM 178 O6 G A 6 -1.566 4.465 -0.178 1.00 0.00 O ATOM 179 N1 G A 6 0.659 4.811 -0.359 1.00 0.00 N ATOM 180 C2 G A 6 1.937 4.871 0.154 1.00 0.00 C ATOM 181 N2 G A 6 2.917 5.221 -0.668 1.00 0.00 N ATOM 182 N3 G A 6 2.248 4.605 1.439 1.00 0.00 N ATOM 183 C4 G A 6 1.160 4.220 2.175 1.00 0.00 C ATOM 0 H5' G A 6 1.788 1.889 7.931 1.00 0.00 H new ATOM 0 H5'' G A 6 1.669 3.419 8.776 1.00 0.00 H new ATOM 0 H4' G A 6 3.301 3.599 7.091 1.00 0.00 H new ATOM 0 H3' G A 6 0.707 5.128 6.440 1.00 0.00 H new ATOM 0 H2' G A 6 1.989 6.044 4.495 1.00 0.00 H new ATOM 0 HO2' G A 6 3.974 6.448 4.759 1.00 0.00 H new ATOM 0 H1' G A 6 3.190 3.628 3.802 1.00 0.00 H new ATOM 0 H8 G A 6 -0.474 3.108 4.722 1.00 0.00 H new ATOM 0 H1 G A 6 0.530 5.038 -1.345 1.00 0.00 H new ATOM 0 H21 G A 6 3.876 5.276 -0.324 1.00 0.00 H new ATOM 0 H22 G A 6 2.712 5.435 -1.644 1.00 0.00 H new ATOM 195 P G A 7 1.449 7.394 7.402 1.00 0.00 P ATOM 196 OP1 G A 7 1.998 8.236 8.482 1.00 0.00 O ATOM 197 OP2 G A 7 -0.009 7.137 7.344 1.00 0.00 O ATOM 198 O5' G A 7 1.909 8.018 6.013 1.00 0.00 O ATOM 199 C5' G A 7 3.022 8.881 5.984 1.00 0.00 C ATOM 200 C4' G A 7 3.560 9.199 4.591 1.00 0.00 C ATOM 201 O4' G A 7 3.513 8.054 3.734 1.00 0.00 O ATOM 202 C3' G A 7 2.871 10.349 3.845 1.00 0.00 C ATOM 203 O3' G A 7 3.327 11.691 4.029 1.00 0.00 O ATOM 204 C2' G A 7 3.206 9.988 2.417 1.00 0.00 C ATOM 205 O2' G A 7 4.509 10.478 2.163 1.00 0.00 O ATOM 206 C1' G A 7 3.090 8.466 2.432 1.00 0.00 C ATOM 207 N9 G A 7 1.674 8.095 2.160 1.00 0.00 N ATOM 208 C8 G A 7 0.675 7.755 3.037 1.00 0.00 C ATOM 209 N7 G A 7 -0.492 7.572 2.488 1.00 0.00 N ATOM 210 C5 G A 7 -0.259 7.801 1.139 1.00 0.00 C ATOM 211 C6 G A 7 -1.169 7.786 0.035 1.00 0.00 C ATOM 212 O6 G A 7 -2.384 7.577 0.052 1.00 0.00 O ATOM 213 N1 G A 7 -0.541 8.057 -1.172 1.00 0.00 N ATOM 214 C2 G A 7 0.799 8.340 -1.303 1.00 0.00 C ATOM 215 N2 G A 7 1.272 8.628 -2.508 1.00 0.00 N ATOM 216 N3 G A 7 1.656 8.396 -0.273 1.00 0.00 N ATOM 217 C4 G A 7 1.070 8.097 0.924 1.00 0.00 C ATOM 0 H5' G A 7 3.823 8.435 6.573 1.00 0.00 H new ATOM 0 H5'' G A 7 2.750 9.816 6.473 1.00 0.00 H new ATOM 0 H4' G A 7 4.581 9.516 4.802 1.00 0.00 H new ATOM 0 H3' G A 7 1.838 10.401 4.190 1.00 0.00 H new ATOM 0 H2' G A 7 2.575 10.405 1.632 1.00 0.00 H new ATOM 0 HO2' G A 7 4.701 11.226 2.766 1.00 0.00 H new ATOM 0 H1' G A 7 3.702 7.980 1.673 1.00 0.00 H new ATOM 0 H8 G A 7 0.843 7.648 4.098 1.00 0.00 H new ATOM 0 H1 G A 7 -1.110 8.046 -2.018 1.00 0.00 H new ATOM 0 H21 G A 7 2.262 8.841 -2.630 1.00 0.00 H new ATOM 0 H22 G A 7 0.646 8.636 -3.313 1.00 0.00 H new ATOM 229 P C A 8 3.076 12.517 5.361 1.00 0.00 P ATOM 230 OP1 C A 8 3.367 13.924 5.035 1.00 0.00 O ATOM 231 OP2 C A 8 3.741 11.889 6.524 1.00 0.00 O ATOM 232 O5' C A 8 1.517 12.364 5.462 1.00 0.00 O ATOM 233 C5' C A 8 0.739 13.163 6.325 1.00 0.00 C ATOM 234 C4' C A 8 -0.689 13.164 5.791 1.00 0.00 C ATOM 235 O4' C A 8 -0.665 13.872 4.569 1.00 0.00 O ATOM 236 C3' C A 8 -1.287 11.798 5.453 1.00 0.00 C ATOM 237 O3' C A 8 -1.932 11.199 6.564 1.00 0.00 O ATOM 238 C2' C A 8 -2.319 12.197 4.403 1.00 0.00 C ATOM 239 O2' C A 8 -3.473 12.573 5.117 1.00 0.00 O ATOM 240 C1' C A 8 -1.679 13.402 3.699 1.00 0.00 C ATOM 241 N1 C A 8 -1.102 13.097 2.358 1.00 0.00 N ATOM 242 C2 C A 8 -1.658 13.749 1.256 1.00 0.00 C ATOM 243 O2 C A 8 -2.488 14.658 1.382 1.00 0.00 O ATOM 244 N3 C A 8 -1.236 13.454 -0.005 1.00 0.00 N ATOM 245 C4 C A 8 -0.381 12.445 -0.200 1.00 0.00 C ATOM 246 N4 C A 8 0.000 12.173 -1.439 1.00 0.00 N ATOM 247 C5 C A 8 0.164 11.711 0.896 1.00 0.00 C ATOM 248 C6 C A 8 -0.192 12.084 2.154 1.00 0.00 C ATOM 0 H5' C A 8 1.133 14.178 6.366 1.00 0.00 H new ATOM 0 H5'' C A 8 0.768 12.769 7.341 1.00 0.00 H new ATOM 0 H4' C A 8 -1.298 13.590 6.588 1.00 0.00 H new ATOM 0 H3' C A 8 -0.546 11.065 5.136 1.00 0.00 H new ATOM 0 H2' C A 8 -2.587 11.424 3.682 1.00 0.00 H new ATOM 0 HO2' C A 8 -3.464 12.149 6.001 1.00 0.00 H new ATOM 0 HO3' C A 8 -2.299 10.330 6.299 1.00 0.00 H new ATOM 0 H1' C A 8 -2.453 14.144 3.503 1.00 0.00 H new ATOM 0 H41 C A 8 0.652 11.408 -1.616 1.00 0.00 H new ATOM 0 H42 C A 8 -0.358 12.728 -2.216 1.00 0.00 H new ATOM 0 H5 C A 8 0.839 10.884 0.731 1.00 0.00 H new ATOM 0 H6 C A 8 0.244 11.580 3.004 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.706 8.837 -4.871 1.00 0.00 O ATOM 263 C5' G B 101 -8.374 8.696 -5.330 1.00 0.00 C ATOM 264 C4' G B 101 -8.077 9.652 -6.490 1.00 0.00 C ATOM 265 O4' G B 101 -7.841 10.981 -6.039 1.00 0.00 O ATOM 266 C3' G B 101 -6.822 9.196 -7.230 1.00 0.00 C ATOM 267 O3' G B 101 -7.124 8.708 -8.524 1.00 0.00 O ATOM 268 C2' G B 101 -6.004 10.469 -7.386 1.00 0.00 C ATOM 269 O2' G B 101 -6.393 11.069 -8.609 1.00 0.00 O ATOM 270 C1' G B 101 -6.465 11.320 -6.204 1.00 0.00 C ATOM 271 N9 G B 101 -5.671 11.131 -4.960 1.00 0.00 N ATOM 272 C8 G B 101 -4.369 10.716 -4.824 1.00 0.00 C ATOM 273 N7 G B 101 -3.891 10.814 -3.615 1.00 0.00 N ATOM 274 C5 G B 101 -4.947 11.339 -2.879 1.00 0.00 C ATOM 275 C6 G B 101 -5.016 11.733 -1.502 1.00 0.00 C ATOM 276 O6 G B 101 -4.140 11.707 -0.633 1.00 0.00 O ATOM 277 N1 G B 101 -6.229 12.318 -1.175 1.00 0.00 N ATOM 278 C2 G B 101 -7.199 12.643 -2.087 1.00 0.00 C ATOM 279 N2 G B 101 -8.232 13.371 -1.683 1.00 0.00 N ATOM 280 N3 G B 101 -7.133 12.327 -3.384 1.00 0.00 N ATOM 281 C4 G B 101 -6.006 11.622 -3.715 1.00 0.00 C ATOM 0 H5' G B 101 -8.205 7.668 -5.652 1.00 0.00 H new ATOM 0 H5'' G B 101 -7.683 8.891 -4.510 1.00 0.00 H new ATOM 0 H4' G B 101 -8.952 9.640 -7.139 1.00 0.00 H new ATOM 0 H3' G B 101 -6.317 8.394 -6.691 1.00 0.00 H new ATOM 0 H2' G B 101 -4.923 10.330 -7.399 1.00 0.00 H new ATOM 0 HO2' G B 101 -6.938 10.438 -9.124 1.00 0.00 H new ATOM 0 HO5' G B 101 -9.865 8.213 -4.132 1.00 0.00 H new ATOM 0 H1' G B 101 -6.317 12.380 -6.409 1.00 0.00 H new ATOM 0 H8 G B 101 -3.788 10.339 -5.652 1.00 0.00 H new ATOM 0 H1 G B 101 -6.412 12.520 -0.192 1.00 0.00 H new ATOM 0 H21 G B 101 -8.966 13.625 -2.344 1.00 0.00 H new ATOM 0 H22 G B 101 -8.292 13.676 -0.712 1.00 0.00 H new ATOM 294 P C B 102 -6.519 7.337 -9.019 1.00 0.00 P ATOM 295 OP1 C B 102 -6.846 7.189 -10.450 1.00 0.00 O ATOM 296 OP2 C B 102 -6.885 6.271 -8.071 1.00 0.00 O ATOM 297 O5' C B 102 -4.952 7.530 -8.880 1.00 0.00 O ATOM 298 C5' C B 102 -4.191 8.230 -9.834 1.00 0.00 C ATOM 299 C4' C B 102 -2.768 8.495 -9.333 1.00 0.00 C ATOM 300 O4' C B 102 -2.792 9.182 -8.091 1.00 0.00 O ATOM 301 C3' C B 102 -1.955 7.218 -9.135 1.00 0.00 C ATOM 302 O3' C B 102 -1.286 6.821 -10.331 1.00 0.00 O ATOM 303 C2' C B 102 -0.966 7.674 -8.074 1.00 0.00 C ATOM 304 O2' C B 102 0.162 8.266 -8.686 1.00 0.00 O ATOM 305 C1' C B 102 -1.762 8.678 -7.250 1.00 0.00 C ATOM 306 N1 C B 102 -2.301 8.090 -5.987 1.00 0.00 N ATOM 307 C2 C B 102 -1.517 8.164 -4.832 1.00 0.00 C ATOM 308 O2 C B 102 -0.317 8.464 -4.886 1.00 0.00 O ATOM 309 N3 C B 102 -2.086 7.907 -3.622 1.00 0.00 N ATOM 310 C4 C B 102 -3.381 7.565 -3.534 1.00 0.00 C ATOM 311 N4 C B 102 -3.916 7.365 -2.341 1.00 0.00 N ATOM 312 C5 C B 102 -4.187 7.404 -4.705 1.00 0.00 C ATOM 313 C6 C B 102 -3.596 7.646 -5.897 1.00 0.00 C ATOM 0 H5' C B 102 -4.678 9.177 -10.066 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.151 7.657 -10.760 1.00 0.00 H new ATOM 0 H4' C B 102 -2.295 9.097 -10.109 1.00 0.00 H new ATOM 0 H3' C B 102 -2.551 6.347 -8.861 1.00 0.00 H new ATOM 0 H2' C B 102 -0.575 6.863 -7.459 1.00 0.00 H new ATOM 0 HO2' C B 102 0.252 7.928 -9.602 1.00 0.00 H new ATOM 0 H1' C B 102 -1.111 9.486 -6.918 1.00 0.00 H new ATOM 0 H41 C B 102 -4.899 7.105 -2.260 1.00 0.00 H new ATOM 0 H42 C B 102 -3.346 7.471 -1.502 1.00 0.00 H new ATOM 0 H5 C B 102 -5.222 7.102 -4.640 1.00 0.00 H new ATOM 0 H6 C B 102 -4.160 7.485 -6.804 1.00 0.00 H new ATOM 325 P C B 103 -0.677 5.346 -10.502 1.00 0.00 P ATOM 326 OP1 C B 103 -0.080 5.282 -11.856 1.00 0.00 O ATOM 327 OP2 C B 103 -1.720 4.394 -10.104 1.00 0.00 O ATOM 328 O5' C B 103 0.487 5.292 -9.420 1.00 0.00 O ATOM 329 C5' C B 103 1.851 5.356 -9.787 1.00 0.00 C ATOM 330 C4' C B 103 2.718 5.303 -8.530 1.00 0.00 C ATOM 331 O4' C B 103 2.193 6.188 -7.540 1.00 0.00 O ATOM 332 C3' C B 103 2.829 3.922 -7.874 1.00 0.00 C ATOM 333 O3' C B 103 3.837 3.067 -8.412 1.00 0.00 O ATOM 334 C2' C B 103 3.185 4.344 -6.452 1.00 0.00 C ATOM 335 O2' C B 103 4.575 4.571 -6.329 1.00 0.00 O ATOM 336 C1' C B 103 2.438 5.651 -6.242 1.00 0.00 C ATOM 337 N1 C B 103 1.215 5.374 -5.433 1.00 0.00 N ATOM 338 C2 C B 103 1.349 5.366 -4.038 1.00 0.00 C ATOM 339 O2 C B 103 2.438 5.574 -3.493 1.00 0.00 O ATOM 340 N3 C B 103 0.269 5.097 -3.257 1.00 0.00 N ATOM 341 C4 C B 103 -0.912 4.812 -3.818 1.00 0.00 C ATOM 342 N4 C B 103 -1.927 4.537 -3.018 1.00 0.00 N ATOM 343 C5 C B 103 -1.075 4.775 -5.240 1.00 0.00 C ATOM 344 C6 C B 103 0.014 5.022 -6.006 1.00 0.00 C ATOM 0 H5' C B 103 2.048 6.275 -10.339 1.00 0.00 H new ATOM 0 H5'' C B 103 2.100 4.527 -10.449 1.00 0.00 H new ATOM 0 H4' C B 103 3.712 5.587 -8.874 1.00 0.00 H new ATOM 0 H3' C B 103 1.929 3.322 -8.006 1.00 0.00 H new ATOM 0 H2' C B 103 2.919 3.578 -5.724 1.00 0.00 H new ATOM 0 HO2' C B 103 4.939 3.998 -5.622 1.00 0.00 H new ATOM 0 H1' C B 103 2.996 6.398 -5.677 1.00 0.00 H new ATOM 0 H41 C B 103 -2.841 4.315 -3.412 1.00 0.00 H new ATOM 0 H42 C B 103 -1.796 4.546 -2.006 1.00 0.00 H new ATOM 0 H5 C B 103 -2.034 4.557 -5.687 1.00 0.00 H new ATOM 0 H6 C B 103 -0.061 4.942 -7.080 1.00 0.00 H new ATOM 356 P A B 104 4.037 1.578 -7.854 1.00 0.00 P ATOM 357 OP1 A B 104 4.878 0.786 -8.774 1.00 0.00 O ATOM 358 OP2 A B 104 2.732 1.033 -7.435 1.00 0.00 O ATOM 359 O5' A B 104 4.859 1.748 -6.506 1.00 0.00 O ATOM 360 C5' A B 104 6.268 1.784 -6.406 1.00 0.00 C ATOM 361 C4' A B 104 6.597 1.805 -4.906 1.00 0.00 C ATOM 362 O4' A B 104 5.762 2.736 -4.213 1.00 0.00 O ATOM 363 C3' A B 104 6.385 0.455 -4.216 1.00 0.00 C ATOM 364 O3' A B 104 7.501 -0.404 -4.393 1.00 0.00 O ATOM 365 C2' A B 104 6.216 0.935 -2.776 1.00 0.00 C ATOM 366 O2' A B 104 7.459 1.296 -2.200 1.00 0.00 O ATOM 367 C1' A B 104 5.367 2.186 -2.951 1.00 0.00 C ATOM 368 N9 A B 104 3.911 1.875 -2.911 1.00 0.00 N ATOM 369 C8 A B 104 3.015 1.776 -3.943 1.00 0.00 C ATOM 370 N7 A B 104 1.770 1.597 -3.605 1.00 0.00 N ATOM 371 C5 A B 104 1.851 1.550 -2.219 1.00 0.00 C ATOM 372 C6 A B 104 0.870 1.435 -1.218 1.00 0.00 C ATOM 373 N6 A B 104 -0.430 1.409 -1.503 1.00 0.00 N ATOM 374 N1 A B 104 1.260 1.378 0.063 1.00 0.00 N ATOM 375 C2 A B 104 2.563 1.424 0.348 1.00 0.00 C ATOM 376 N3 A B 104 3.586 1.560 -0.498 1.00 0.00 N ATOM 377 C4 A B 104 3.155 1.632 -1.787 1.00 0.00 C ATOM 0 H5' A B 104 6.670 2.666 -6.904 1.00 0.00 H new ATOM 0 H5'' A B 104 6.714 0.914 -6.889 1.00 0.00 H new ATOM 0 H4' A B 104 7.651 2.080 -4.860 1.00 0.00 H new ATOM 0 H3' A B 104 5.556 -0.146 -4.590 1.00 0.00 H new ATOM 0 H2' A B 104 5.786 0.173 -2.125 1.00 0.00 H new ATOM 0 HO2' A B 104 8.179 0.789 -2.631 1.00 0.00 H new ATOM 0 H1' A B 104 5.525 2.896 -2.139 1.00 0.00 H new ATOM 0 H8 A B 104 3.323 1.842 -4.976 1.00 0.00 H new ATOM 0 H61 A B 104 -1.115 1.325 -0.752 1.00 0.00 H new ATOM 0 H62 A B 104 -0.741 1.473 -2.472 1.00 0.00 H new ATOM 0 H2 A B 104 2.822 1.341 1.393 1.00 0.00 H new ATOM 389 P DC B 105 7.346 -1.964 -4.710 1.00 0.00 P ATOM 390 OP1 DC B 105 8.612 -2.430 -5.312 1.00 0.00 O ATOM 391 OP2 DC B 105 6.093 -2.171 -5.470 1.00 0.00 O ATOM 392 O5' DC B 105 7.157 -2.692 -3.293 1.00 0.00 O ATOM 393 C5' DC B 105 8.147 -2.604 -2.279 1.00 0.00 C ATOM 394 C4' DC B 105 7.564 -2.506 -0.856 1.00 0.00 C ATOM 395 O4' DC B 105 6.629 -1.435 -0.784 1.00 0.00 O ATOM 396 C3' DC B 105 6.864 -3.754 -0.313 1.00 0.00 C ATOM 397 O3' DC B 105 7.757 -4.571 0.434 1.00 0.00 O ATOM 398 C2' DC B 105 5.841 -3.120 0.629 1.00 0.00 C ATOM 399 C1' DC B 105 5.475 -1.792 -0.023 1.00 0.00 C ATOM 400 N1 DC B 105 4.222 -1.889 -0.834 1.00 0.00 N ATOM 401 C2 DC B 105 2.981 -1.939 -0.182 1.00 0.00 C ATOM 402 O2 DC B 105 2.883 -1.947 1.051 1.00 0.00 O ATOM 403 N3 DC B 105 1.840 -1.981 -0.930 1.00 0.00 N ATOM 404 C4 DC B 105 1.897 -1.990 -2.266 1.00 0.00 C ATOM 405 N4 DC B 105 0.767 -1.949 -2.947 1.00 0.00 N ATOM 406 C5 DC B 105 3.143 -1.967 -2.958 1.00 0.00 C ATOM 407 C6 DC B 105 4.261 -1.899 -2.204 1.00 0.00 C ATOM 0 H5' DC B 105 8.772 -1.731 -2.468 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.795 -3.479 -2.338 1.00 0.00 H new ATOM 0 H4' DC B 105 8.447 -2.354 -0.235 1.00 0.00 H new ATOM 0 H3' DC B 105 6.454 -4.401 -1.089 1.00 0.00 H new ATOM 0 H2' DC B 105 4.964 -3.757 0.746 1.00 0.00 H new ATOM 0 H2'' DC B 105 6.261 -2.969 1.624 1.00 0.00 H new ATOM 0 H1' DC B 105 5.237 -1.018 0.707 1.00 0.00 H new ATOM 0 H41 DC B 105 0.786 -1.955 -3.967 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.125 -1.911 -2.453 1.00 0.00 H new ATOM 0 H5 DC B 105 3.191 -2.002 -4.036 1.00 0.00 H new ATOM 0 H6 DC B 105 5.220 -1.851 -2.698 1.00 0.00 H new ATOM 419 P DT B 106 7.452 -6.122 0.717 1.00 0.00 P ATOM 420 OP1 DT B 106 8.528 -6.640 1.587 1.00 0.00 O ATOM 421 OP2 DT B 106 7.178 -6.798 -0.567 1.00 0.00 O ATOM 422 O5' DT B 106 6.103 -6.145 1.550 1.00 0.00 O ATOM 423 C5' DT B 106 6.098 -5.942 2.949 1.00 0.00 C ATOM 424 C4' DT B 106 4.673 -5.979 3.501 1.00 0.00 C ATOM 425 O4' DT B 106 3.872 -4.982 2.877 1.00 0.00 O ATOM 426 C3' DT B 106 3.966 -7.316 3.277 1.00 0.00 C ATOM 427 O3' DT B 106 4.303 -8.292 4.250 1.00 0.00 O ATOM 428 C2' DT B 106 2.525 -6.842 3.401 1.00 0.00 C ATOM 429 C1' DT B 106 2.542 -5.474 2.737 1.00 0.00 C ATOM 430 N1 DT B 106 2.116 -5.574 1.314 1.00 0.00 N ATOM 431 C2 DT B 106 0.746 -5.609 1.044 1.00 0.00 C ATOM 432 O2 DT B 106 -0.112 -5.772 1.914 1.00 0.00 O ATOM 433 N3 DT B 106 0.381 -5.470 -0.279 1.00 0.00 N ATOM 434 C4 DT B 106 1.240 -5.417 -1.357 1.00 0.00 C ATOM 435 O4 DT B 106 0.788 -5.301 -2.496 1.00 0.00 O ATOM 436 C5 DT B 106 2.646 -5.542 -1.009 1.00 0.00 C ATOM 437 C7 DT B 106 3.682 -5.589 -2.109 1.00 0.00 C ATOM 438 C6 DT B 106 3.031 -5.619 0.289 1.00 0.00 C ATOM 0 H5' DT B 106 6.558 -4.982 3.183 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.700 -6.710 3.434 1.00 0.00 H new ATOM 0 H4' DT B 106 4.778 -5.810 4.573 1.00 0.00 H new ATOM 0 H3' DT B 106 4.218 -7.824 2.346 1.00 0.00 H new ATOM 0 H2' DT B 106 1.835 -7.522 2.902 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.212 -6.778 4.443 1.00 0.00 H new ATOM 0 H1' DT B 106 1.837 -4.785 3.203 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.617 -5.400 -0.479 1.00 0.00 H new ATOM 0 H71 DT B 106 4.617 -5.161 -1.747 1.00 0.00 H new ATOM 0 H72 DT B 106 3.849 -6.624 -2.408 1.00 0.00 H new ATOM 0 H73 DT B 106 3.329 -5.016 -2.966 1.00 0.00 H new ATOM 0 H6 DT B 106 4.081 -5.718 0.523 1.00 0.00 H new ATOM 451 P DG B 107 3.847 -9.813 4.101 1.00 0.00 P ATOM 452 OP1 DG B 107 4.447 -10.562 5.231 1.00 0.00 O ATOM 453 OP2 DG B 107 4.119 -10.261 2.719 1.00 0.00 O ATOM 454 O5' DG B 107 2.268 -9.800 4.292 1.00 0.00 O ATOM 455 C5' DG B 107 1.678 -9.405 5.518 1.00 0.00 C ATOM 456 C4' DG B 107 0.151 -9.427 5.427 1.00 0.00 C ATOM 457 O4' DG B 107 -0.303 -8.636 4.330 1.00 0.00 O ATOM 458 C3' DG B 107 -0.346 -10.858 5.236 1.00 0.00 C ATOM 459 O3' DG B 107 -1.473 -11.136 6.055 1.00 0.00 O ATOM 460 C2' DG B 107 -0.682 -10.875 3.755 1.00 0.00 C ATOM 461 C1' DG B 107 -1.087 -9.436 3.453 1.00 0.00 C ATOM 462 N9 DG B 107 -0.831 -9.110 2.028 1.00 0.00 N ATOM 463 C8 DG B 107 0.372 -9.110 1.374 1.00 0.00 C ATOM 464 N7 DG B 107 0.308 -8.802 0.105 1.00 0.00 N ATOM 465 C5 DG B 107 -1.059 -8.646 -0.118 1.00 0.00 C ATOM 466 C6 DG B 107 -1.765 -8.411 -1.344 1.00 0.00 C ATOM 467 O6 DG B 107 -1.298 -8.232 -2.475 1.00 0.00 O ATOM 468 N1 DG B 107 -3.144 -8.450 -1.178 1.00 0.00 N ATOM 469 C2 DG B 107 -3.773 -8.664 0.028 1.00 0.00 C ATOM 470 N2 DG B 107 -5.092 -8.769 0.051 1.00 0.00 N ATOM 471 N3 DG B 107 -3.127 -8.917 1.177 1.00 0.00 N ATOM 472 C4 DG B 107 -1.767 -8.873 1.045 1.00 0.00 C ATOM 0 H5' DG B 107 2.015 -8.402 5.781 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.007 -10.071 6.315 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.244 -9.017 6.357 1.00 0.00 H new ATOM 0 H3' DG B 107 0.376 -11.623 5.523 1.00 0.00 H new ATOM 0 H2' DG B 107 0.174 -11.183 3.155 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.491 -11.572 3.537 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.152 -9.262 3.610 1.00 0.00 H new ATOM 0 H8 DG B 107 1.303 -9.346 1.869 1.00 0.00 H new ATOM 0 H1 DG B 107 -3.728 -8.311 -2.003 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.576 -8.928 0.935 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.625 -8.691 -0.815 1.00 0.00 H new ATOM 484 P DC B 108 -1.916 -12.642 6.371 1.00 0.00 P ATOM 485 OP1 DC B 108 -2.464 -12.716 7.738 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.839 -13.581 5.980 1.00 0.00 O ATOM 487 O5' DC B 108 -3.087 -12.929 5.358 1.00 0.00 O ATOM 488 C5' DC B 108 -4.398 -12.439 5.561 1.00 0.00 C ATOM 489 C4' DC B 108 -5.411 -13.426 4.965 1.00 0.00 C ATOM 490 O4' DC B 108 -5.249 -13.487 3.556 1.00 0.00 O ATOM 491 C3' DC B 108 -5.210 -14.852 5.506 1.00 0.00 C ATOM 492 O3' DC B 108 -6.444 -15.533 5.665 1.00 0.00 O ATOM 493 C2' DC B 108 -4.373 -15.520 4.420 1.00 0.00 C ATOM 494 C1' DC B 108 -4.793 -14.776 3.153 1.00 0.00 C ATOM 495 N1 DC B 108 -3.651 -14.680 2.197 1.00 0.00 N ATOM 496 C2 DC B 108 -3.476 -15.676 1.234 1.00 0.00 C ATOM 497 O2 DC B 108 -4.280 -16.602 1.098 1.00 0.00 O ATOM 498 N3 DC B 108 -2.373 -15.662 0.425 1.00 0.00 N ATOM 499 C4 DC B 108 -1.495 -14.649 0.511 1.00 0.00 C ATOM 500 N4 DC B 108 -0.450 -14.640 -0.302 1.00 0.00 N ATOM 501 C5 DC B 108 -1.640 -13.619 1.491 1.00 0.00 C ATOM 502 C6 DC B 108 -2.737 -13.662 2.289 1.00 0.00 C ATOM 0 H5' DC B 108 -4.509 -11.461 5.093 1.00 0.00 H new ATOM 0 H5'' DC B 108 -4.587 -12.306 6.626 1.00 0.00 H new ATOM 0 H4' DC B 108 -6.403 -13.068 5.242 1.00 0.00 H new ATOM 0 H3' DC B 108 -4.742 -14.861 6.491 1.00 0.00 H new ATOM 0 H2' DC B 108 -3.305 -15.417 4.613 1.00 0.00 H new ATOM 0 H2'' DC B 108 -4.582 -16.587 4.349 1.00 0.00 H new ATOM 0 HO3' DC B 108 -6.278 -16.436 6.008 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.589 -15.308 2.632 1.00 0.00 H new ATOM 0 H41 DC B 108 0.228 -13.880 -0.253 1.00 0.00 H new ATOM 0 H42 DC B 108 -0.323 -15.393 -0.978 1.00 0.00 H new ATOM 0 H5 DC B 108 -0.904 -12.835 1.593 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.894 -12.876 3.013 1.00 0.00 H new TER 515 DC B 108