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 -20:sc= 0.248 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -16:sc= 0.217 USER MOD Single : A 3 A O2' : rot -26:sc= 0.26 USER MOD Single : A 4 G O2' : rot -23:sc= -0.0188 USER MOD Single : A 5 U O2' : rot -15:sc= 0.336 USER MOD Single : A 6 G O2' : rot -124:sc= 0.47 USER MOD Single : A 7 G O2' : rot -20:sc= 0.0986 USER MOD Single : A 8 C O2' : rot -21:sc= 0.23 USER MOD Single : A 8 C O3' : rot 175:sc= 1.4 USER MOD Single : B 101 G O2' : rot -9:sc= 0.686 USER MOD Single : B 101 G O5' : rot 73:sc= 1.27 USER MOD Single : B 102 C O2' : rot -113:sc= 1.02 USER MOD Single : B 103 C O2' : rot -17:sc= 0.343 USER MOD Single : B 104 A O2' : rot -27:sc= 0.335 USER MOD Single : B 106 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.925 -14.275 -10.800 1.00 0.00 O ATOM 2 C5' G A 1 -7.323 -14.668 -9.582 1.00 0.00 C ATOM 3 C4' G A 1 -8.198 -14.265 -8.392 1.00 0.00 C ATOM 4 O4' G A 1 -7.735 -14.930 -7.232 1.00 0.00 O ATOM 5 C3' G A 1 -8.219 -12.760 -8.092 1.00 0.00 C ATOM 6 O3' G A 1 -9.256 -12.090 -8.791 1.00 0.00 O ATOM 7 C2' G A 1 -8.533 -12.809 -6.602 1.00 0.00 C ATOM 8 O2' G A 1 -9.920 -13.067 -6.456 1.00 0.00 O ATOM 9 C1' G A 1 -7.713 -14.012 -6.151 1.00 0.00 C ATOM 10 N9 G A 1 -6.314 -13.648 -5.818 1.00 0.00 N ATOM 11 C8 G A 1 -5.219 -13.501 -6.636 1.00 0.00 C ATOM 12 N7 G A 1 -4.097 -13.295 -6.002 1.00 0.00 N ATOM 13 C5 G A 1 -4.473 -13.311 -4.661 1.00 0.00 C ATOM 14 C6 G A 1 -3.676 -13.199 -3.479 1.00 0.00 C ATOM 15 O6 G A 1 -2.463 -12.994 -3.397 1.00 0.00 O ATOM 16 N1 G A 1 -4.415 -13.398 -2.324 1.00 0.00 N ATOM 17 C2 G A 1 -5.784 -13.554 -2.291 1.00 0.00 C ATOM 18 N2 G A 1 -6.387 -13.657 -1.112 1.00 0.00 N ATOM 19 N3 G A 1 -6.556 -13.587 -3.387 1.00 0.00 N ATOM 20 C4 G A 1 -5.832 -13.502 -4.542 1.00 0.00 C ATOM 0 H5' G A 1 -6.340 -14.206 -9.490 1.00 0.00 H new ATOM 0 H5'' G A 1 -7.169 -15.747 -9.578 1.00 0.00 H new ATOM 0 H4' G A 1 -9.214 -14.549 -8.665 1.00 0.00 H new ATOM 0 H3' G A 1 -7.311 -12.228 -8.377 1.00 0.00 H new ATOM 0 H2' G A 1 -8.307 -11.901 -6.042 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.385 -12.838 -7.288 1.00 0.00 H new ATOM 0 HO5' G A 1 -7.351 -14.539 -11.549 1.00 0.00 H new ATOM 0 H1' G A 1 -8.138 -14.435 -5.241 1.00 0.00 H new ATOM 0 H8 G A 1 -5.282 -13.552 -7.713 1.00 0.00 H new ATOM 0 H1 G A 1 -3.911 -13.431 -1.438 1.00 0.00 H new ATOM 0 H21 G A 1 -7.399 -13.773 -1.065 1.00 0.00 H new ATOM 0 H22 G A 1 -5.838 -13.620 -0.253 1.00 0.00 H new ATOM 33 P C A 2 -9.261 -10.501 -8.948 1.00 0.00 P ATOM 34 OP1 C A 2 -10.504 -10.170 -9.673 1.00 0.00 O ATOM 35 OP2 C A 2 -7.968 -10.118 -9.541 1.00 0.00 O ATOM 36 O5' C A 2 -9.350 -9.922 -7.474 1.00 0.00 O ATOM 37 C5' C A 2 -10.602 -9.644 -6.888 1.00 0.00 C ATOM 38 C4' C A 2 -10.485 -9.287 -5.408 1.00 0.00 C ATOM 39 O4' C A 2 -9.794 -10.294 -4.665 1.00 0.00 O ATOM 40 C3' C A 2 -9.807 -7.951 -5.089 1.00 0.00 C ATOM 41 O3' C A 2 -10.682 -6.840 -5.180 1.00 0.00 O ATOM 42 C2' C A 2 -9.504 -8.234 -3.624 1.00 0.00 C ATOM 43 O2' C A 2 -10.708 -8.103 -2.888 1.00 0.00 O ATOM 44 C1' C A 2 -9.088 -9.686 -3.577 1.00 0.00 C ATOM 45 N1 C A 2 -7.605 -9.803 -3.701 1.00 0.00 N ATOM 46 C2 C A 2 -6.815 -9.820 -2.541 1.00 0.00 C ATOM 47 O2 C A 2 -7.311 -9.818 -1.408 1.00 0.00 O ATOM 48 N3 C A 2 -5.453 -9.837 -2.651 1.00 0.00 N ATOM 49 C4 C A 2 -4.880 -9.849 -3.866 1.00 0.00 C ATOM 50 N4 C A 2 -3.563 -9.820 -3.959 1.00 0.00 N ATOM 51 C5 C A 2 -5.660 -9.880 -5.059 1.00 0.00 C ATOM 52 C6 C A 2 -7.003 -9.813 -4.935 1.00 0.00 C ATOM 0 H5' C A 2 -11.253 -10.511 -7.000 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.075 -8.820 -7.422 1.00 0.00 H new ATOM 0 H4' C A 2 -11.531 -9.206 -5.111 1.00 0.00 H new ATOM 0 H3' C A 2 -8.981 -7.688 -5.750 1.00 0.00 H new ATOM 0 H2' C A 2 -8.745 -7.564 -3.220 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.371 -7.623 -3.428 1.00 0.00 H new ATOM 0 H1' C A 2 -9.331 -10.179 -2.636 1.00 0.00 H new ATOM 0 H41 C A 2 -3.116 -9.829 -4.876 1.00 0.00 H new ATOM 0 H42 C A 2 -2.993 -9.789 -3.114 1.00 0.00 H new ATOM 0 H5 C A 2 -5.192 -9.955 -6.030 1.00 0.00 H new ATOM 0 H6 C A 2 -7.615 -9.766 -5.823 1.00 0.00 H new ATOM 64 P A A 3 -10.181 -5.331 -4.969 1.00 0.00 P ATOM 65 OP1 A A 3 -11.386 -4.488 -5.109 1.00 0.00 O ATOM 66 OP2 A A 3 -8.989 -5.088 -5.810 1.00 0.00 O ATOM 67 O5' A A 3 -9.692 -5.274 -3.450 1.00 0.00 O ATOM 68 C5' A A 3 -10.582 -5.072 -2.378 1.00 0.00 C ATOM 69 C4' A A 3 -9.957 -5.483 -1.039 1.00 0.00 C ATOM 70 O4' A A 3 -9.030 -6.566 -1.097 1.00 0.00 O ATOM 71 C3' A A 3 -9.231 -4.327 -0.352 1.00 0.00 C ATOM 72 O3' A A 3 -10.103 -3.480 0.385 1.00 0.00 O ATOM 73 C2' A A 3 -8.309 -5.101 0.580 1.00 0.00 C ATOM 74 O2' A A 3 -9.086 -5.507 1.700 1.00 0.00 O ATOM 75 C1' A A 3 -7.897 -6.289 -0.279 1.00 0.00 C ATOM 76 N9 A A 3 -6.716 -5.980 -1.122 1.00 0.00 N ATOM 77 C8 A A 3 -6.658 -5.799 -2.483 1.00 0.00 C ATOM 78 N7 A A 3 -5.465 -5.596 -2.964 1.00 0.00 N ATOM 79 C5 A A 3 -4.663 -5.668 -1.830 1.00 0.00 C ATOM 80 C6 A A 3 -3.268 -5.600 -1.653 1.00 0.00 C ATOM 81 N6 A A 3 -2.450 -5.400 -2.682 1.00 0.00 N ATOM 82 N1 A A 3 -2.757 -5.796 -0.423 1.00 0.00 N ATOM 83 C2 A A 3 -3.590 -6.015 0.595 1.00 0.00 C ATOM 84 N3 A A 3 -4.923 -6.084 0.568 1.00 0.00 N ATOM 85 C4 A A 3 -5.406 -5.905 -0.699 1.00 0.00 C ATOM 0 H5' A A 3 -11.492 -5.647 -2.547 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.871 -4.022 -2.338 1.00 0.00 H new ATOM 0 H4' A A 3 -10.831 -5.806 -0.474 1.00 0.00 H new ATOM 0 H3' A A 3 -8.739 -3.645 -1.046 1.00 0.00 H new ATOM 0 H2' A A 3 -7.446 -4.555 0.961 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.835 -4.887 1.820 1.00 0.00 H new ATOM 0 H1' A A 3 -7.608 -7.139 0.340 1.00 0.00 H new ATOM 0 H8 A A 3 -7.538 -5.823 -3.108 1.00 0.00 H new ATOM 0 H61 A A 3 -1.442 -5.354 -2.531 1.00 0.00 H new ATOM 0 H62 A A 3 -2.830 -5.292 -3.622 1.00 0.00 H new ATOM 0 H2 A A 3 -3.129 -6.154 1.562 1.00 0.00 H new ATOM 97 P G A 4 -9.609 -2.041 0.869 1.00 0.00 P ATOM 98 OP1 G A 4 -10.716 -1.366 1.567 1.00 0.00 O ATOM 99 OP2 G A 4 -8.969 -1.367 -0.282 1.00 0.00 O ATOM 100 O5' G A 4 -8.457 -2.375 1.907 1.00 0.00 O ATOM 101 C5' G A 4 -8.660 -2.579 3.285 1.00 0.00 C ATOM 102 C4' G A 4 -7.369 -3.105 3.944 1.00 0.00 C ATOM 103 O4' G A 4 -6.586 -3.905 3.051 1.00 0.00 O ATOM 104 C3' G A 4 -6.446 -2.007 4.485 1.00 0.00 C ATOM 105 O3' G A 4 -6.694 -1.741 5.856 1.00 0.00 O ATOM 106 C2' G A 4 -5.076 -2.666 4.321 1.00 0.00 C ATOM 107 O2' G A 4 -4.839 -3.622 5.360 1.00 0.00 O ATOM 108 C1' G A 4 -5.227 -3.465 3.041 1.00 0.00 C ATOM 109 N9 G A 4 -4.800 -2.748 1.811 1.00 0.00 N ATOM 110 C8 G A 4 -5.550 -2.248 0.784 1.00 0.00 C ATOM 111 N7 G A 4 -4.888 -1.981 -0.308 1.00 0.00 N ATOM 112 C5 G A 4 -3.569 -2.257 0.040 1.00 0.00 C ATOM 113 C6 G A 4 -2.361 -2.162 -0.729 1.00 0.00 C ATOM 114 O6 G A 4 -2.229 -1.884 -1.926 1.00 0.00 O ATOM 115 N1 G A 4 -1.230 -2.421 0.036 1.00 0.00 N ATOM 116 C2 G A 4 -1.258 -2.788 1.363 1.00 0.00 C ATOM 117 N2 G A 4 -0.121 -2.903 2.035 1.00 0.00 N ATOM 118 N3 G A 4 -2.383 -2.982 2.066 1.00 0.00 N ATOM 119 C4 G A 4 -3.505 -2.672 1.355 1.00 0.00 C ATOM 0 H5' G A 4 -9.471 -3.291 3.439 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.963 -1.644 3.757 1.00 0.00 H new ATOM 0 H4' G A 4 -7.741 -3.701 4.778 1.00 0.00 H new ATOM 0 H3' G A 4 -6.565 -1.049 3.979 1.00 0.00 H new ATOM 0 H2' G A 4 -4.274 -1.928 4.332 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.397 -3.407 6.136 1.00 0.00 H new ATOM 0 H1' G A 4 -4.544 -4.314 3.012 1.00 0.00 H new ATOM 0 H8 G A 4 -6.614 -2.086 0.870 1.00 0.00 H new ATOM 0 H1 G A 4 -0.319 -2.334 -0.415 1.00 0.00 H new ATOM 0 H21 G A 4 -0.135 -3.174 3.018 1.00 0.00 H new ATOM 0 H22 G A 4 0.768 -2.720 1.569 1.00 0.00 H new ATOM 131 P U A 5 -6.148 -0.422 6.569 1.00 0.00 P ATOM 132 OP1 U A 5 -6.334 -0.639 8.029 1.00 0.00 O ATOM 133 OP2 U A 5 -6.794 0.730 5.920 1.00 0.00 O ATOM 134 O5' U A 5 -4.570 -0.369 6.303 1.00 0.00 O ATOM 135 C5' U A 5 -3.681 -1.102 7.126 1.00 0.00 C ATOM 136 C4' U A 5 -2.221 -0.976 6.709 1.00 0.00 C ATOM 137 O4' U A 5 -1.973 -1.464 5.402 1.00 0.00 O ATOM 138 C3' U A 5 -1.644 0.434 6.821 1.00 0.00 C ATOM 139 O3' U A 5 -1.225 0.661 8.164 1.00 0.00 O ATOM 140 C2' U A 5 -0.430 0.267 5.908 1.00 0.00 C ATOM 141 O2' U A 5 0.575 -0.349 6.697 1.00 0.00 O ATOM 142 C1' U A 5 -0.910 -0.706 4.831 1.00 0.00 C ATOM 143 N1 U A 5 -1.351 -0.020 3.589 1.00 0.00 N ATOM 144 C2 U A 5 -0.395 0.193 2.590 1.00 0.00 C ATOM 145 O2 U A 5 0.815 0.013 2.769 1.00 0.00 O ATOM 146 N3 U A 5 -0.886 0.592 1.355 1.00 0.00 N ATOM 147 C4 U A 5 -2.205 0.888 1.055 1.00 0.00 C ATOM 148 O4 U A 5 -2.543 1.140 -0.104 1.00 0.00 O ATOM 149 C5 U A 5 -3.097 0.790 2.190 1.00 0.00 C ATOM 150 C6 U A 5 -2.669 0.324 3.389 1.00 0.00 C ATOM 0 H5' U A 5 -3.966 -2.154 7.108 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.787 -0.761 8.156 1.00 0.00 H new ATOM 0 H4' U A 5 -1.708 -1.604 7.437 1.00 0.00 H new ATOM 0 H3' U A 5 -2.313 1.256 6.565 1.00 0.00 H new ATOM 0 H2' U A 5 -0.046 1.191 5.476 1.00 0.00 H new ATOM 0 HO2' U A 5 0.329 -0.290 7.644 1.00 0.00 H new ATOM 0 H1' U A 5 -0.084 -1.348 4.526 1.00 0.00 H new ATOM 0 H3 U A 5 -0.210 0.675 0.595 1.00 0.00 H new ATOM 0 H5 U A 5 -4.127 1.095 2.080 1.00 0.00 H new ATOM 0 H6 U A 5 -3.374 0.221 4.201 1.00 0.00 H new ATOM 161 P G A 6 -0.889 2.115 8.712 1.00 0.00 P ATOM 162 OP1 G A 6 -0.117 1.862 9.944 1.00 0.00 O ATOM 163 OP2 G A 6 -2.130 2.899 8.819 1.00 0.00 O ATOM 164 O5' G A 6 0.070 2.771 7.634 1.00 0.00 O ATOM 165 C5' G A 6 1.474 2.653 7.742 1.00 0.00 C ATOM 166 C4' G A 6 2.210 3.386 6.629 1.00 0.00 C ATOM 167 O4' G A 6 2.007 2.778 5.363 1.00 0.00 O ATOM 168 C3' G A 6 1.719 4.818 6.438 1.00 0.00 C ATOM 169 O3' G A 6 2.192 5.696 7.446 1.00 0.00 O ATOM 170 C2' G A 6 2.372 5.095 5.092 1.00 0.00 C ATOM 171 O2' G A 6 3.739 5.399 5.322 1.00 0.00 O ATOM 172 C1' G A 6 2.208 3.769 4.359 1.00 0.00 C ATOM 173 N9 G A 6 1.107 3.794 3.363 1.00 0.00 N ATOM 174 C8 G A 6 -0.217 3.446 3.516 1.00 0.00 C ATOM 175 N7 G A 6 -0.927 3.578 2.436 1.00 0.00 N ATOM 176 C5 G A 6 -0.025 4.032 1.491 1.00 0.00 C ATOM 177 C6 G A 6 -0.243 4.344 0.117 1.00 0.00 C ATOM 178 O6 G A 6 -1.303 4.306 -0.508 1.00 0.00 O ATOM 179 N1 G A 6 0.913 4.759 -0.530 1.00 0.00 N ATOM 180 C2 G A 6 2.135 4.901 0.089 1.00 0.00 C ATOM 181 N2 G A 6 3.134 5.429 -0.616 1.00 0.00 N ATOM 182 N3 G A 6 2.359 4.617 1.388 1.00 0.00 N ATOM 183 C4 G A 6 1.231 4.176 2.039 1.00 0.00 C ATOM 0 H5' G A 6 1.749 1.598 7.721 1.00 0.00 H new ATOM 0 H5'' G A 6 1.795 3.047 8.706 1.00 0.00 H new ATOM 0 H4' G A 6 3.253 3.355 6.944 1.00 0.00 H new ATOM 0 H3' G A 6 0.639 4.955 6.486 1.00 0.00 H new ATOM 0 H2' G A 6 1.948 5.927 4.530 1.00 0.00 H new ATOM 0 HO2' G A 6 3.948 6.277 4.940 1.00 0.00 H new ATOM 0 H1' G A 6 3.097 3.549 3.768 1.00 0.00 H new ATOM 0 H8 G A 6 -0.628 3.095 4.451 1.00 0.00 H new ATOM 0 H1 G A 6 0.854 4.972 -1.526 1.00 0.00 H new ATOM 0 H21 G A 6 4.052 5.549 -0.189 1.00 0.00 H new ATOM 0 H22 G A 6 2.981 5.714 -1.583 1.00 0.00 H new ATOM 195 P G A 7 1.592 7.155 7.593 1.00 0.00 P ATOM 196 OP1 G A 7 2.236 7.784 8.766 1.00 0.00 O ATOM 197 OP2 G A 7 0.117 7.104 7.545 1.00 0.00 O ATOM 198 O5' G A 7 2.054 7.873 6.254 1.00 0.00 O ATOM 199 C5' G A 7 3.122 8.786 6.255 1.00 0.00 C ATOM 200 C4' G A 7 3.619 9.143 4.847 1.00 0.00 C ATOM 201 O4' G A 7 3.594 8.018 3.969 1.00 0.00 O ATOM 202 C3' G A 7 2.861 10.255 4.121 1.00 0.00 C ATOM 203 O3' G A 7 3.250 11.598 4.354 1.00 0.00 O ATOM 204 C2' G A 7 3.145 9.923 2.664 1.00 0.00 C ATOM 205 O2' G A 7 4.428 10.366 2.257 1.00 0.00 O ATOM 206 C1' G A 7 3.109 8.403 2.688 1.00 0.00 C ATOM 207 N9 G A 7 1.714 7.990 2.422 1.00 0.00 N ATOM 208 C8 G A 7 0.709 7.671 3.295 1.00 0.00 C ATOM 209 N7 G A 7 -0.441 7.465 2.722 1.00 0.00 N ATOM 210 C5 G A 7 -0.184 7.628 1.366 1.00 0.00 C ATOM 211 C6 G A 7 -1.058 7.542 0.235 1.00 0.00 C ATOM 212 O6 G A 7 -2.268 7.308 0.209 1.00 0.00 O ATOM 213 N1 G A 7 -0.405 7.813 -0.960 1.00 0.00 N ATOM 214 C2 G A 7 0.907 8.216 -1.050 1.00 0.00 C ATOM 215 N2 G A 7 1.349 8.636 -2.223 1.00 0.00 N ATOM 216 N3 G A 7 1.731 8.346 0.000 1.00 0.00 N ATOM 217 C4 G A 7 1.132 7.989 1.178 1.00 0.00 C ATOM 0 H5' G A 7 3.948 8.367 6.829 1.00 0.00 H new ATOM 0 H5'' G A 7 2.811 9.698 6.765 1.00 0.00 H new ATOM 0 H4' G A 7 4.629 9.497 5.055 1.00 0.00 H new ATOM 0 H3' G A 7 1.827 10.253 4.465 1.00 0.00 H new ATOM 0 H2' G A 7 2.446 10.395 1.973 1.00 0.00 H new ATOM 0 HO2' G A 7 4.745 11.060 2.872 1.00 0.00 H new ATOM 0 H1' G A 7 3.729 7.921 1.933 1.00 0.00 H new ATOM 0 H8 G A 7 0.857 7.597 4.362 1.00 0.00 H new ATOM 0 H1 G A 7 -0.932 7.706 -1.827 1.00 0.00 H new ATOM 0 H21 G A 7 2.317 8.942 -2.324 1.00 0.00 H new ATOM 0 H22 G A 7 0.722 8.654 -3.027 1.00 0.00 H new ATOM 229 P C A 8 2.960 12.308 5.742 1.00 0.00 P ATOM 230 OP1 C A 8 2.884 13.762 5.470 1.00 0.00 O ATOM 231 OP2 C A 8 3.954 11.836 6.716 1.00 0.00 O ATOM 232 O5' C A 8 1.517 11.762 6.144 1.00 0.00 O ATOM 233 C5' C A 8 0.356 12.568 6.161 1.00 0.00 C ATOM 234 C4' C A 8 -0.945 11.744 6.065 1.00 0.00 C ATOM 235 O4' C A 8 -1.658 12.151 4.911 1.00 0.00 O ATOM 236 C3' C A 8 -0.798 10.222 5.911 1.00 0.00 C ATOM 237 O3' C A 8 -0.626 9.618 7.183 1.00 0.00 O ATOM 238 C2' C A 8 -2.135 9.841 5.278 1.00 0.00 C ATOM 239 O2' C A 8 -3.115 9.602 6.272 1.00 0.00 O ATOM 240 C1' C A 8 -2.464 11.080 4.439 1.00 0.00 C ATOM 241 N1 C A 8 -2.308 10.895 2.968 1.00 0.00 N ATOM 242 C2 C A 8 -3.468 10.794 2.190 1.00 0.00 C ATOM 243 O2 C A 8 -4.596 10.873 2.686 1.00 0.00 O ATOM 244 N3 C A 8 -3.355 10.650 0.839 1.00 0.00 N ATOM 245 C4 C A 8 -2.156 10.632 0.257 1.00 0.00 C ATOM 246 N4 C A 8 -2.138 10.465 -1.060 1.00 0.00 N ATOM 247 C5 C A 8 -0.946 10.778 1.017 1.00 0.00 C ATOM 248 C6 C A 8 -1.071 10.895 2.366 1.00 0.00 C ATOM 0 H5' C A 8 0.396 13.273 5.331 1.00 0.00 H new ATOM 0 H5'' C A 8 0.341 13.157 7.078 1.00 0.00 H new ATOM 0 H4' C A 8 -1.433 11.933 7.021 1.00 0.00 H new ATOM 0 H3' C A 8 0.062 9.903 5.322 1.00 0.00 H new ATOM 0 H2' C A 8 -2.103 8.923 4.691 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.675 9.403 7.124 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.619 8.643 7.084 1.00 0.00 H new ATOM 0 H1' C A 8 -3.525 11.294 4.567 1.00 0.00 H new ATOM 0 H41 C A 8 -1.249 10.443 -1.559 1.00 0.00 H new ATOM 0 H42 C A 8 -3.013 10.359 -1.573 1.00 0.00 H new ATOM 0 H5 C A 8 0.022 10.794 0.538 1.00 0.00 H new ATOM 0 H6 C A 8 -0.184 10.990 2.975 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -8.440 7.523 -7.420 1.00 0.00 O ATOM 263 C5' G B 101 -8.211 8.574 -6.492 1.00 0.00 C ATOM 264 C4' G B 101 -7.618 9.810 -7.191 1.00 0.00 C ATOM 265 O4' G B 101 -7.765 10.996 -6.428 1.00 0.00 O ATOM 266 C3' G B 101 -6.135 9.645 -7.513 1.00 0.00 C ATOM 267 O3' G B 101 -6.026 9.472 -8.917 1.00 0.00 O ATOM 268 C2' G B 101 -5.471 10.948 -7.083 1.00 0.00 C ATOM 269 O2' G B 101 -5.272 11.716 -8.254 1.00 0.00 O ATOM 270 C1' G B 101 -6.500 11.605 -6.172 1.00 0.00 C ATOM 271 N9 G B 101 -6.163 11.547 -4.729 1.00 0.00 N ATOM 272 C8 G B 101 -6.567 10.618 -3.806 1.00 0.00 C ATOM 273 N7 G B 101 -6.414 10.994 -2.568 1.00 0.00 N ATOM 274 C5 G B 101 -5.824 12.240 -2.665 1.00 0.00 C ATOM 275 C6 G B 101 -5.466 13.157 -1.627 1.00 0.00 C ATOM 276 O6 G B 101 -5.656 13.070 -0.411 1.00 0.00 O ATOM 277 N1 G B 101 -4.858 14.294 -2.125 1.00 0.00 N ATOM 278 C2 G B 101 -4.655 14.547 -3.459 1.00 0.00 C ATOM 279 N2 G B 101 -4.073 15.697 -3.776 1.00 0.00 N ATOM 280 N3 G B 101 -5.013 13.717 -4.453 1.00 0.00 N ATOM 281 C4 G B 101 -5.603 12.570 -3.986 1.00 0.00 C ATOM 0 H5' G B 101 -7.531 8.233 -5.711 1.00 0.00 H new ATOM 0 H5'' G B 101 -9.148 8.843 -6.004 1.00 0.00 H new ATOM 0 H4' G B 101 -8.189 9.899 -8.115 1.00 0.00 H new ATOM 0 H3' G B 101 -5.671 8.796 -7.011 1.00 0.00 H new ATOM 0 H2' G B 101 -4.513 10.830 -6.577 1.00 0.00 H new ATOM 0 HO2' G B 101 -5.465 11.167 -9.042 1.00 0.00 H new ATOM 0 HO5' G B 101 -7.583 7.126 -7.683 1.00 0.00 H new ATOM 0 H1' G B 101 -6.519 12.670 -6.404 1.00 0.00 H new ATOM 0 H8 G B 101 -6.977 9.657 -4.081 1.00 0.00 H new ATOM 0 H1 G B 101 -4.538 14.993 -1.455 1.00 0.00 H new ATOM 0 H21 G B 101 -3.901 15.929 -4.754 1.00 0.00 H new ATOM 0 H22 G B 101 -3.797 16.349 -3.041 1.00 0.00 H new ATOM 294 P C B 102 -5.616 8.064 -9.502 1.00 0.00 P ATOM 295 OP1 C B 102 -5.897 8.058 -10.954 1.00 0.00 O ATOM 296 OP2 C B 102 -6.215 7.035 -8.632 1.00 0.00 O ATOM 297 O5' C B 102 -4.066 8.147 -9.239 1.00 0.00 O ATOM 298 C5' C B 102 -3.226 8.978 -10.017 1.00 0.00 C ATOM 299 C4' C B 102 -1.918 9.237 -9.276 1.00 0.00 C ATOM 300 O4' C B 102 -2.108 9.865 -8.019 1.00 0.00 O ATOM 301 C3' C B 102 -1.215 7.916 -9.030 1.00 0.00 C ATOM 302 O3' C B 102 -0.572 7.510 -10.228 1.00 0.00 O ATOM 303 C2' C B 102 -0.290 8.323 -7.893 1.00 0.00 C ATOM 304 O2' C B 102 0.916 8.888 -8.383 1.00 0.00 O ATOM 305 C1' C B 102 -1.119 9.362 -7.124 1.00 0.00 C ATOM 306 N1 C B 102 -1.752 8.792 -5.896 1.00 0.00 N ATOM 307 C2 C B 102 -1.096 8.925 -4.665 1.00 0.00 C ATOM 308 O2 C B 102 -0.031 9.544 -4.549 1.00 0.00 O ATOM 309 N3 C B 102 -1.642 8.370 -3.542 1.00 0.00 N ATOM 310 C4 C B 102 -2.798 7.688 -3.615 1.00 0.00 C ATOM 311 N4 C B 102 -3.303 7.147 -2.515 1.00 0.00 N ATOM 312 C5 C B 102 -3.511 7.575 -4.849 1.00 0.00 C ATOM 313 C6 C B 102 -2.957 8.131 -5.955 1.00 0.00 C ATOM 0 H5' C B 102 -3.728 9.923 -10.227 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.022 8.505 -10.978 1.00 0.00 H new ATOM 0 H4' C B 102 -1.329 9.905 -9.905 1.00 0.00 H new ATOM 0 H3' C B 102 -1.822 7.050 -8.767 1.00 0.00 H new ATOM 0 H2' C B 102 0.021 7.481 -7.275 1.00 0.00 H new ATOM 0 HO2' C B 102 1.665 8.292 -8.173 1.00 0.00 H new ATOM 0 H1' C B 102 -0.465 10.161 -6.776 1.00 0.00 H new ATOM 0 H41 C B 102 -4.180 6.627 -2.558 1.00 0.00 H new ATOM 0 H42 C B 102 -2.815 7.251 -1.625 1.00 0.00 H new ATOM 0 H5 C B 102 -4.461 7.063 -4.899 1.00 0.00 H new ATOM 0 H6 C B 102 -3.472 8.053 -6.901 1.00 0.00 H new ATOM 325 P C B 103 -0.073 6.021 -10.443 1.00 0.00 P ATOM 326 OP1 C B 103 0.381 5.942 -11.848 1.00 0.00 O ATOM 327 OP2 C B 103 -1.143 5.116 -10.000 1.00 0.00 O ATOM 328 O5' C B 103 1.160 5.856 -9.467 1.00 0.00 O ATOM 329 C5' C B 103 2.469 6.204 -9.854 1.00 0.00 C ATOM 330 C4' C B 103 3.365 6.194 -8.616 1.00 0.00 C ATOM 331 O4' C B 103 2.771 6.951 -7.562 1.00 0.00 O ATOM 332 C3' C B 103 3.607 4.786 -8.071 1.00 0.00 C ATOM 333 O3' C B 103 4.720 4.158 -8.690 1.00 0.00 O ATOM 334 C2' C B 103 3.939 5.127 -6.621 1.00 0.00 C ATOM 335 O2' C B 103 5.296 5.513 -6.570 1.00 0.00 O ATOM 336 C1' C B 103 3.061 6.331 -6.309 1.00 0.00 C ATOM 337 N1 C B 103 1.860 5.908 -5.531 1.00 0.00 N ATOM 338 C2 C B 103 1.942 5.931 -4.129 1.00 0.00 C ATOM 339 O2 C B 103 2.950 6.349 -3.540 1.00 0.00 O ATOM 340 N3 C B 103 0.879 5.500 -3.388 1.00 0.00 N ATOM 341 C4 C B 103 -0.224 5.034 -3.996 1.00 0.00 C ATOM 342 N4 C B 103 -1.238 4.619 -3.258 1.00 0.00 N ATOM 343 C5 C B 103 -0.335 5.007 -5.418 1.00 0.00 C ATOM 344 C6 C B 103 0.725 5.430 -6.144 1.00 0.00 C ATOM 0 H5' C B 103 2.476 7.190 -10.318 1.00 0.00 H new ATOM 0 H5'' C B 103 2.843 5.500 -10.597 1.00 0.00 H new ATOM 0 H4' C B 103 4.314 6.625 -8.936 1.00 0.00 H new ATOM 0 H3' C B 103 2.778 4.096 -8.226 1.00 0.00 H new ATOM 0 H2' C B 103 3.775 4.303 -5.926 1.00 0.00 H new ATOM 0 HO2' C B 103 5.753 5.209 -7.382 1.00 0.00 H new ATOM 0 H1' C B 103 3.554 7.062 -5.668 1.00 0.00 H new ATOM 0 H41 C B 103 -2.082 4.262 -3.706 1.00 0.00 H new ATOM 0 H42 C B 103 -1.177 4.655 -2.240 1.00 0.00 H new ATOM 0 H5 C B 103 -1.237 4.660 -5.900 1.00 0.00 H new ATOM 0 H6 C B 103 0.680 5.392 -7.222 1.00 0.00 H new ATOM 356 P A B 104 4.946 2.585 -8.572 1.00 0.00 P ATOM 357 OP1 A B 104 6.157 2.259 -9.354 1.00 0.00 O ATOM 358 OP2 A B 104 3.671 1.912 -8.883 1.00 0.00 O ATOM 359 O5' A B 104 5.285 2.366 -7.031 1.00 0.00 O ATOM 360 C5' A B 104 6.604 2.539 -6.552 1.00 0.00 C ATOM 361 C4' A B 104 6.667 2.495 -5.030 1.00 0.00 C ATOM 362 O4' A B 104 5.664 3.301 -4.425 1.00 0.00 O ATOM 363 C3' A B 104 6.561 1.089 -4.458 1.00 0.00 C ATOM 364 O3' A B 104 7.860 0.512 -4.373 1.00 0.00 O ATOM 365 C2' A B 104 6.021 1.409 -3.069 1.00 0.00 C ATOM 366 O2' A B 104 7.121 1.767 -2.257 1.00 0.00 O ATOM 367 C1' A B 104 5.138 2.631 -3.284 1.00 0.00 C ATOM 368 N9 A B 104 3.711 2.266 -3.443 1.00 0.00 N ATOM 369 C8 A B 104 2.937 2.146 -4.572 1.00 0.00 C ATOM 370 N7 A B 104 1.678 1.881 -4.337 1.00 0.00 N ATOM 371 C5 A B 104 1.640 1.730 -2.951 1.00 0.00 C ATOM 372 C6 A B 104 0.615 1.448 -2.020 1.00 0.00 C ATOM 373 N6 A B 104 -0.663 1.301 -2.342 1.00 0.00 N ATOM 374 N1 A B 104 0.920 1.366 -0.719 1.00 0.00 N ATOM 375 C2 A B 104 2.174 1.554 -0.328 1.00 0.00 C ATOM 376 N3 A B 104 3.225 1.863 -1.084 1.00 0.00 N ATOM 377 C4 A B 104 2.887 1.914 -2.405 1.00 0.00 C ATOM 0 H5' A B 104 6.996 3.493 -6.904 1.00 0.00 H new ATOM 0 H5'' A B 104 7.245 1.760 -6.964 1.00 0.00 H new ATOM 0 H4' A B 104 7.654 2.892 -4.792 1.00 0.00 H new ATOM 0 H3' A B 104 5.956 0.387 -5.031 1.00 0.00 H new ATOM 0 H2' A B 104 5.482 0.584 -2.603 1.00 0.00 H new ATOM 0 HO2' A B 104 7.933 1.336 -2.597 1.00 0.00 H new ATOM 0 H1' A B 104 5.154 3.287 -2.414 1.00 0.00 H new ATOM 0 H8 A B 104 3.335 2.261 -5.569 1.00 0.00 H new ATOM 0 H61 A B 104 -1.351 1.098 -1.617 1.00 0.00 H new ATOM 0 H62 A B 104 -0.958 1.391 -3.314 1.00 0.00 H new ATOM 0 H2 A B 104 2.364 1.443 0.729 1.00 0.00 H new ATOM 389 P DC B 105 8.061 -1.055 -4.368 1.00 0.00 P ATOM 390 OP1 DC B 105 9.504 -1.298 -4.152 1.00 0.00 O ATOM 391 OP2 DC B 105 7.424 -1.602 -5.581 1.00 0.00 O ATOM 392 O5' DC B 105 7.281 -1.515 -3.062 1.00 0.00 O ATOM 393 C5' DC B 105 7.946 -1.492 -1.810 1.00 0.00 C ATOM 394 C4' DC B 105 7.036 -1.647 -0.596 1.00 0.00 C ATOM 395 O4' DC B 105 5.924 -0.775 -0.638 1.00 0.00 O ATOM 396 C3' DC B 105 6.504 -3.058 -0.382 1.00 0.00 C ATOM 397 O3' DC B 105 7.474 -3.920 0.203 1.00 0.00 O ATOM 398 C2' DC B 105 5.376 -2.711 0.579 1.00 0.00 C ATOM 399 C1' DC B 105 4.823 -1.407 0.009 1.00 0.00 C ATOM 400 N1 DC B 105 3.695 -1.667 -0.928 1.00 0.00 N ATOM 401 C2 DC B 105 2.435 -1.944 -0.384 1.00 0.00 C ATOM 402 O2 DC B 105 2.267 -2.111 0.826 1.00 0.00 O ATOM 403 N3 DC B 105 1.360 -2.068 -1.207 1.00 0.00 N ATOM 404 C4 DC B 105 1.505 -1.950 -2.530 1.00 0.00 C ATOM 405 N4 DC B 105 0.411 -2.004 -3.269 1.00 0.00 N ATOM 406 C5 DC B 105 2.795 -1.761 -3.124 1.00 0.00 C ATOM 407 C6 DC B 105 3.859 -1.624 -2.292 1.00 0.00 C ATOM 0 H5' DC B 105 8.489 -0.551 -1.721 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.687 -2.291 -1.794 1.00 0.00 H new ATOM 0 H4' DC B 105 7.692 -1.394 0.237 1.00 0.00 H new ATOM 0 H3' DC B 105 6.216 -3.604 -1.280 1.00 0.00 H new ATOM 0 H2' DC B 105 4.616 -3.492 0.608 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.740 -2.583 1.598 1.00 0.00 H new ATOM 0 H1' DC B 105 4.409 -0.766 0.787 1.00 0.00 H new ATOM 0 H41 DC B 105 0.476 -1.918 -4.283 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.498 -2.131 -2.825 1.00 0.00 H new ATOM 0 H5 DC B 105 2.917 -1.729 -4.197 1.00 0.00 H new ATOM 0 H6 DC B 105 4.846 -1.480 -2.707 1.00 0.00 H new ATOM 419 P DT B 106 7.299 -5.513 0.174 1.00 0.00 P ATOM 420 OP1 DT B 106 8.478 -6.080 0.858 1.00 0.00 O ATOM 421 OP2 DT B 106 7.034 -5.920 -1.223 1.00 0.00 O ATOM 422 O5' DT B 106 6.010 -5.845 1.052 1.00 0.00 O ATOM 423 C5' DT B 106 6.041 -5.630 2.451 1.00 0.00 C ATOM 424 C4' DT B 106 4.667 -5.746 3.117 1.00 0.00 C ATOM 425 O4' DT B 106 3.723 -4.795 2.631 1.00 0.00 O ATOM 426 C3' DT B 106 3.999 -7.103 2.953 1.00 0.00 C ATOM 427 O3' DT B 106 4.462 -8.082 3.864 1.00 0.00 O ATOM 428 C2' DT B 106 2.537 -6.752 3.169 1.00 0.00 C ATOM 429 C1' DT B 106 2.422 -5.384 2.521 1.00 0.00 C ATOM 430 N1 DT B 106 1.934 -5.549 1.124 1.00 0.00 N ATOM 431 C2 DT B 106 0.568 -5.788 0.933 1.00 0.00 C ATOM 432 O2 DT B 106 -0.215 -5.986 1.868 1.00 0.00 O ATOM 433 N3 DT B 106 0.127 -5.813 -0.372 1.00 0.00 N ATOM 434 C4 DT B 106 0.917 -5.686 -1.497 1.00 0.00 C ATOM 435 O4 DT B 106 0.406 -5.798 -2.609 1.00 0.00 O ATOM 436 C5 DT B 106 2.335 -5.499 -1.225 1.00 0.00 C ATOM 437 C7 DT B 106 3.319 -5.350 -2.369 1.00 0.00 C ATOM 438 C6 DT B 106 2.788 -5.469 0.053 1.00 0.00 C ATOM 0 H5' DT B 106 6.450 -4.639 2.649 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.719 -6.352 2.907 1.00 0.00 H new ATOM 0 H4' DT B 106 4.909 -5.569 4.165 1.00 0.00 H new ATOM 0 H3' DT B 106 4.210 -7.568 1.990 1.00 0.00 H new ATOM 0 H2' DT B 106 1.873 -7.479 2.701 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.280 -6.721 4.228 1.00 0.00 H new ATOM 0 H1' DT B 106 1.700 -4.723 2.999 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.875 -5.937 -0.520 1.00 0.00 H new ATOM 0 H71 DT B 106 4.153 -4.724 -2.052 1.00 0.00 H new ATOM 0 H72 DT B 106 3.692 -6.332 -2.658 1.00 0.00 H new ATOM 0 H73 DT B 106 2.820 -4.886 -3.220 1.00 0.00 H new ATOM 0 H6 DT B 106 3.849 -5.380 0.233 1.00 0.00 H new ATOM 451 P DG B 107 4.100 -9.618 3.651 1.00 0.00 P ATOM 452 OP1 DG B 107 4.894 -10.437 4.588 1.00 0.00 O ATOM 453 OP2 DG B 107 4.137 -9.940 2.209 1.00 0.00 O ATOM 454 O5' DG B 107 2.588 -9.670 4.115 1.00 0.00 O ATOM 455 C5' DG B 107 2.176 -9.412 5.446 1.00 0.00 C ATOM 456 C4' DG B 107 0.694 -9.756 5.569 1.00 0.00 C ATOM 457 O4' DG B 107 -0.107 -8.916 4.747 1.00 0.00 O ATOM 458 C3' DG B 107 0.472 -11.209 5.163 1.00 0.00 C ATOM 459 O3' DG B 107 0.595 -12.022 6.320 1.00 0.00 O ATOM 460 C2' DG B 107 -0.900 -11.138 4.514 1.00 0.00 C ATOM 461 C1' DG B 107 -1.121 -9.682 4.103 1.00 0.00 C ATOM 462 N9 DG B 107 -0.998 -9.492 2.634 1.00 0.00 N ATOM 463 C8 DG B 107 0.157 -9.542 1.899 1.00 0.00 C ATOM 464 N7 DG B 107 -0.002 -9.389 0.618 1.00 0.00 N ATOM 465 C5 DG B 107 -1.379 -9.255 0.478 1.00 0.00 C ATOM 466 C6 DG B 107 -2.154 -9.165 -0.720 1.00 0.00 C ATOM 467 O6 DG B 107 -1.756 -9.157 -1.886 1.00 0.00 O ATOM 468 N1 DG B 107 -3.517 -9.159 -0.474 1.00 0.00 N ATOM 469 C2 DG B 107 -4.076 -9.207 0.784 1.00 0.00 C ATOM 470 N2 DG B 107 -5.400 -9.266 0.841 1.00 0.00 N ATOM 471 N3 DG B 107 -3.365 -9.285 1.928 1.00 0.00 N ATOM 472 C4 DG B 107 -2.010 -9.317 1.706 1.00 0.00 C ATOM 0 H5' DG B 107 2.344 -8.365 5.698 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.762 -10.007 6.146 1.00 0.00 H new ATOM 0 H4' DG B 107 0.400 -9.602 6.607 1.00 0.00 H new ATOM 0 H3' DG B 107 1.182 -11.661 4.470 1.00 0.00 H new ATOM 0 H2' DG B 107 -0.952 -11.796 3.647 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.673 -11.465 5.209 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.127 -9.375 4.390 1.00 0.00 H new ATOM 0 H8 DG B 107 1.126 -9.697 2.350 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.147 -9.116 -1.275 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.870 -9.304 1.745 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.948 -9.274 -0.019 1.00 0.00 H new ATOM 484 P DC B 108 0.493 -13.614 6.291 1.00 0.00 P ATOM 485 OP1 DC B 108 0.925 -14.100 7.613 1.00 0.00 O ATOM 486 OP2 DC B 108 1.193 -14.133 5.099 1.00 0.00 O ATOM 487 O5' DC B 108 -1.065 -13.888 6.129 1.00 0.00 O ATOM 488 C5' DC B 108 -1.973 -13.502 7.145 1.00 0.00 C ATOM 489 C4' DC B 108 -3.225 -14.392 7.193 1.00 0.00 C ATOM 490 O4' DC B 108 -4.215 -13.852 6.329 1.00 0.00 O ATOM 491 C3' DC B 108 -2.975 -15.833 6.721 1.00 0.00 C ATOM 492 O3' DC B 108 -3.797 -16.803 7.348 1.00 0.00 O ATOM 493 C2' DC B 108 -3.333 -15.792 5.244 1.00 0.00 C ATOM 494 C1' DC B 108 -4.420 -14.714 5.212 1.00 0.00 C ATOM 495 N1 DC B 108 -4.405 -13.962 3.931 1.00 0.00 N ATOM 496 C2 DC B 108 -5.507 -14.036 3.071 1.00 0.00 C ATOM 497 O2 DC B 108 -6.508 -14.700 3.376 1.00 0.00 O ATOM 498 N3 DC B 108 -5.459 -13.419 1.852 1.00 0.00 N ATOM 499 C4 DC B 108 -4.337 -12.782 1.484 1.00 0.00 C ATOM 500 N4 DC B 108 -4.293 -12.190 0.307 1.00 0.00 N ATOM 501 C5 DC B 108 -3.181 -12.733 2.314 1.00 0.00 C ATOM 502 C6 DC B 108 -3.265 -13.317 3.529 1.00 0.00 C ATOM 0 H5' DC B 108 -2.274 -12.467 6.983 1.00 0.00 H new ATOM 0 H5'' DC B 108 -1.469 -13.540 8.111 1.00 0.00 H new ATOM 0 H4' DC B 108 -3.535 -14.416 8.238 1.00 0.00 H new ATOM 0 H3' DC B 108 -1.951 -16.126 6.953 1.00 0.00 H new ATOM 0 H2' DC B 108 -2.477 -15.527 4.623 1.00 0.00 H new ATOM 0 H2'' DC B 108 -3.701 -16.754 4.886 1.00 0.00 H new ATOM 0 HO3' DC B 108 -3.581 -17.692 6.996 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.404 -15.178 5.278 1.00 0.00 H new ATOM 0 H41 DC B 108 -3.447 -11.702 0.013 1.00 0.00 H new ATOM 0 H42 DC B 108 -5.105 -12.220 -0.310 1.00 0.00 H new ATOM 0 H5 DC B 108 -2.274 -12.248 1.985 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.417 -13.275 4.197 1.00 0.00 H new TER 515 DC B 108