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 -120:sc= 1.07 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -17:sc= 0.274 USER MOD Single : A 3 A O2' : rot -20:sc= 0.317 USER MOD Single : A 4 G O2' : rot -125:sc= 0.194 USER MOD Single : A 5 U O2' : rot -21:sc= 0.0461 USER MOD Single : A 6 G O2' : rot -125:sc= 0.127 USER MOD Single : A 7 G O2' : rot -23:sc= 0.362 USER MOD Single : A 8 C O2' : rot -13:sc= 0.12 USER MOD Single : A 8 C O3' : rot -152:sc= 1.19 USER MOD Single : B 101 G O2' : rot -119:sc= 0.785 USER MOD Single : B 101 G O5' : rot -26:sc= 0.0825 USER MOD Single : B 102 C O2' : rot -113:sc= 0.476 USER MOD Single : B 103 C O2' : rot -18:sc= 0.356 USER MOD Single : B 104 A O2' : rot -21:sc= 0.361 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 -7.098 -15.625 -10.107 1.00 0.00 O ATOM 2 C5' G A 1 -6.797 -14.338 -9.594 1.00 0.00 C ATOM 3 C4' G A 1 -7.804 -13.974 -8.497 1.00 0.00 C ATOM 4 O4' G A 1 -7.504 -14.631 -7.279 1.00 0.00 O ATOM 5 C3' G A 1 -7.906 -12.463 -8.266 1.00 0.00 C ATOM 6 O3' G A 1 -9.057 -11.997 -8.948 1.00 0.00 O ATOM 7 C2' G A 1 -8.062 -12.393 -6.746 1.00 0.00 C ATOM 8 O2' G A 1 -9.427 -12.431 -6.357 1.00 0.00 O ATOM 9 C1' G A 1 -7.382 -13.666 -6.247 1.00 0.00 C ATOM 10 N9 G A 1 -5.952 -13.510 -5.886 1.00 0.00 N ATOM 11 C8 G A 1 -4.962 -12.748 -6.460 1.00 0.00 C ATOM 12 N7 G A 1 -3.824 -12.781 -5.821 1.00 0.00 N ATOM 13 C5 G A 1 -4.086 -13.583 -4.711 1.00 0.00 C ATOM 14 C6 G A 1 -3.260 -13.918 -3.583 1.00 0.00 C ATOM 15 O6 G A 1 -2.109 -13.539 -3.337 1.00 0.00 O ATOM 16 N1 G A 1 -3.904 -14.753 -2.671 1.00 0.00 N ATOM 17 C2 G A 1 -5.218 -15.163 -2.806 1.00 0.00 C ATOM 18 N2 G A 1 -5.770 -15.894 -1.844 1.00 0.00 N ATOM 19 N3 G A 1 -5.992 -14.885 -3.864 1.00 0.00 N ATOM 20 C4 G A 1 -5.373 -14.070 -4.771 1.00 0.00 C ATOM 0 H5' G A 1 -6.833 -13.599 -10.394 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.784 -14.323 -9.191 1.00 0.00 H new ATOM 0 H4' G A 1 -8.774 -14.319 -8.854 1.00 0.00 H new ATOM 0 H3' G A 1 -7.071 -11.860 -8.622 1.00 0.00 H new ATOM 0 H2' G A 1 -7.641 -11.471 -6.346 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.648 -11.616 -5.860 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.455 -15.856 -10.809 1.00 0.00 H new ATOM 0 H1' G A 1 -7.876 -13.961 -5.321 1.00 0.00 H new ATOM 0 H8 G A 1 -5.113 -12.172 -7.361 1.00 0.00 H new ATOM 0 H1 G A 1 -3.378 -15.079 -1.860 1.00 0.00 H new ATOM 0 H21 G A 1 -6.738 -16.203 -1.930 1.00 0.00 H new ATOM 0 H22 G A 1 -5.226 -16.146 -1.019 1.00 0.00 H new ATOM 33 P C A 2 -9.339 -10.465 -9.262 1.00 0.00 P ATOM 34 OP1 C A 2 -10.731 -10.456 -9.785 1.00 0.00 O ATOM 35 OP2 C A 2 -8.251 -9.966 -10.128 1.00 0.00 O ATOM 36 O5' C A 2 -9.327 -9.728 -7.840 1.00 0.00 O ATOM 37 C5' C A 2 -10.546 -9.357 -7.219 1.00 0.00 C ATOM 38 C4' C A 2 -10.414 -9.025 -5.733 1.00 0.00 C ATOM 39 O4' C A 2 -9.644 -9.998 -5.011 1.00 0.00 O ATOM 40 C3' C A 2 -9.886 -7.632 -5.365 1.00 0.00 C ATOM 41 O3' C A 2 -10.902 -6.635 -5.324 1.00 0.00 O ATOM 42 C2' C A 2 -9.499 -7.950 -3.928 1.00 0.00 C ATOM 43 O2' C A 2 -10.698 -7.978 -3.163 1.00 0.00 O ATOM 44 C1' C A 2 -8.944 -9.353 -3.937 1.00 0.00 C ATOM 45 N1 C A 2 -7.466 -9.351 -4.114 1.00 0.00 N ATOM 46 C2 C A 2 -6.647 -9.363 -2.978 1.00 0.00 C ATOM 47 O2 C A 2 -7.099 -9.387 -1.831 1.00 0.00 O ATOM 48 N3 C A 2 -5.287 -9.375 -3.127 1.00 0.00 N ATOM 49 C4 C A 2 -4.747 -9.338 -4.356 1.00 0.00 C ATOM 50 N4 C A 2 -3.431 -9.283 -4.457 1.00 0.00 N ATOM 51 C5 C A 2 -5.555 -9.337 -5.532 1.00 0.00 C ATOM 52 C6 C A 2 -6.897 -9.312 -5.363 1.00 0.00 C ATOM 0 H5' C A 2 -11.263 -10.170 -7.336 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.957 -8.491 -7.738 1.00 0.00 H new ATOM 0 H4' C A 2 -11.461 -9.042 -5.430 1.00 0.00 H new ATOM 0 H3' C A 2 -9.134 -7.242 -6.051 1.00 0.00 H new ATOM 0 H2' C A 2 -8.788 -7.228 -3.526 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.414 -7.530 -3.660 1.00 0.00 H new ATOM 0 H1' C A 2 -9.094 -9.880 -2.995 1.00 0.00 H new ATOM 0 H41 C A 2 -2.991 -9.254 -5.377 1.00 0.00 H new ATOM 0 H42 C A 2 -2.855 -9.270 -3.615 1.00 0.00 H new ATOM 0 H5 C A 2 -5.113 -9.355 -6.517 1.00 0.00 H new ATOM 0 H6 C A 2 -7.536 -9.260 -6.232 1.00 0.00 H new ATOM 64 P A A 3 -10.585 -5.082 -5.022 1.00 0.00 P ATOM 65 OP1 A A 3 -11.881 -4.389 -4.961 1.00 0.00 O ATOM 66 OP2 A A 3 -9.562 -4.594 -5.963 1.00 0.00 O ATOM 67 O5' A A 3 -9.940 -5.031 -3.565 1.00 0.00 O ATOM 68 C5' A A 3 -10.742 -4.996 -2.403 1.00 0.00 C ATOM 69 C4' A A 3 -9.938 -5.404 -1.159 1.00 0.00 C ATOM 70 O4' A A 3 -9.022 -6.465 -1.371 1.00 0.00 O ATOM 71 C3' A A 3 -9.132 -4.259 -0.562 1.00 0.00 C ATOM 72 O3' A A 3 -9.901 -3.469 0.322 1.00 0.00 O ATOM 73 C2' A A 3 -8.099 -5.040 0.243 1.00 0.00 C ATOM 74 O2' A A 3 -8.725 -5.470 1.442 1.00 0.00 O ATOM 75 C1' A A 3 -7.808 -6.208 -0.682 1.00 0.00 C ATOM 76 N9 A A 3 -6.698 -5.858 -1.597 1.00 0.00 N ATOM 77 C8 A A 3 -6.702 -5.483 -2.920 1.00 0.00 C ATOM 78 N7 A A 3 -5.509 -5.335 -3.443 1.00 0.00 N ATOM 79 C5 A A 3 -4.662 -5.604 -2.373 1.00 0.00 C ATOM 80 C6 A A 3 -3.261 -5.649 -2.235 1.00 0.00 C ATOM 81 N6 A A 3 -2.424 -5.383 -3.244 1.00 0.00 N ATOM 82 N1 A A 3 -2.733 -5.976 -1.052 1.00 0.00 N ATOM 83 C2 A A 3 -3.537 -6.205 -0.014 1.00 0.00 C ATOM 84 N3 A A 3 -4.867 -6.218 -0.009 1.00 0.00 N ATOM 85 C4 A A 3 -5.377 -5.908 -1.235 1.00 0.00 C ATOM 0 H5' A A 3 -11.593 -5.666 -2.525 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.144 -3.992 -2.266 1.00 0.00 H new ATOM 0 H4' A A 3 -10.723 -5.728 -0.476 1.00 0.00 H new ATOM 0 H3' A A 3 -8.743 -3.567 -1.309 1.00 0.00 H new ATOM 0 H2' A A 3 -7.198 -4.496 0.527 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.517 -4.918 1.614 1.00 0.00 H new ATOM 0 H1' A A 3 -7.486 -7.101 -0.147 1.00 0.00 H new ATOM 0 H8 A A 3 -7.611 -5.324 -3.481 1.00 0.00 H new ATOM 0 H61 A A 3 -1.416 -5.428 -3.096 1.00 0.00 H new ATOM 0 H62 A A 3 -2.794 -5.135 -4.162 1.00 0.00 H new ATOM 0 H2 A A 3 -3.053 -6.403 0.931 1.00 0.00 H new ATOM 97 P G A 4 -9.375 -2.030 0.742 1.00 0.00 P ATOM 98 OP1 G A 4 -10.399 -1.475 1.657 1.00 0.00 O ATOM 99 OP2 G A 4 -9.060 -1.295 -0.489 1.00 0.00 O ATOM 100 O5' G A 4 -8.041 -2.362 1.553 1.00 0.00 O ATOM 101 C5' G A 4 -8.089 -2.686 2.926 1.00 0.00 C ATOM 102 C4' G A 4 -6.764 -3.187 3.524 1.00 0.00 C ATOM 103 O4' G A 4 -5.944 -3.905 2.607 1.00 0.00 O ATOM 104 C3' G A 4 -5.940 -2.040 4.107 1.00 0.00 C ATOM 105 O3' G A 4 -6.310 -1.861 5.471 1.00 0.00 O ATOM 106 C2' G A 4 -4.520 -2.582 3.962 1.00 0.00 C ATOM 107 O2' G A 4 -4.149 -3.433 5.035 1.00 0.00 O ATOM 108 C1' G A 4 -4.608 -3.412 2.695 1.00 0.00 C ATOM 109 N9 G A 4 -4.214 -2.654 1.491 1.00 0.00 N ATOM 110 C8 G A 4 -4.990 -2.174 0.469 1.00 0.00 C ATOM 111 N7 G A 4 -4.295 -1.792 -0.573 1.00 0.00 N ATOM 112 C5 G A 4 -2.966 -1.986 -0.195 1.00 0.00 C ATOM 113 C6 G A 4 -1.737 -1.765 -0.907 1.00 0.00 C ATOM 114 O6 G A 4 -1.572 -1.426 -2.085 1.00 0.00 O ATOM 115 N1 G A 4 -0.617 -2.007 -0.120 1.00 0.00 N ATOM 116 C2 G A 4 -0.665 -2.474 1.174 1.00 0.00 C ATOM 117 N2 G A 4 0.465 -2.615 1.850 1.00 0.00 N ATOM 118 N3 G A 4 -1.798 -2.750 1.826 1.00 0.00 N ATOM 119 C4 G A 4 -2.913 -2.474 1.089 1.00 0.00 C ATOM 0 H5' G A 4 -8.850 -3.452 3.076 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.410 -1.804 3.481 1.00 0.00 H new ATOM 0 H4' G A 4 -7.070 -3.878 4.310 1.00 0.00 H new ATOM 0 H3' G A 4 -6.070 -1.068 3.630 1.00 0.00 H new ATOM 0 H2' G A 4 -3.783 -1.779 3.946 1.00 0.00 H new ATOM 0 HO2' G A 4 -3.316 -3.109 5.437 1.00 0.00 H new ATOM 0 H1' G A 4 -3.900 -4.240 2.744 1.00 0.00 H new ATOM 0 H8 G A 4 -6.067 -2.116 0.518 1.00 0.00 H new ATOM 0 H1 G A 4 0.300 -1.827 -0.528 1.00 0.00 H new ATOM 0 H21 G A 4 0.446 -2.960 2.810 1.00 0.00 H new ATOM 0 H22 G A 4 1.355 -2.379 1.411 1.00 0.00 H new ATOM 131 P U A 5 -5.936 -0.551 6.285 1.00 0.00 P ATOM 132 OP1 U A 5 -6.449 -0.750 7.657 1.00 0.00 O ATOM 133 OP2 U A 5 -6.426 0.594 5.495 1.00 0.00 O ATOM 134 O5' U A 5 -4.356 -0.459 6.342 1.00 0.00 O ATOM 135 C5' U A 5 -3.598 -1.171 7.299 1.00 0.00 C ATOM 136 C4' U A 5 -2.113 -1.062 6.936 1.00 0.00 C ATOM 137 O4' U A 5 -1.886 -1.498 5.602 1.00 0.00 O ATOM 138 C3' U A 5 -1.595 0.373 6.991 1.00 0.00 C ATOM 139 O3' U A 5 -1.303 0.806 8.302 1.00 0.00 O ATOM 140 C2' U A 5 -0.346 0.252 6.118 1.00 0.00 C ATOM 141 O2' U A 5 0.748 -0.351 6.801 1.00 0.00 O ATOM 142 C1' U A 5 -0.842 -0.706 5.035 1.00 0.00 C ATOM 143 N1 U A 5 -1.261 0.038 3.816 1.00 0.00 N ATOM 144 C2 U A 5 -0.262 0.345 2.889 1.00 0.00 C ATOM 145 O2 U A 5 0.938 0.200 3.135 1.00 0.00 O ATOM 146 N3 U A 5 -0.682 0.862 1.677 1.00 0.00 N ATOM 147 C4 U A 5 -1.986 1.194 1.350 1.00 0.00 C ATOM 148 O4 U A 5 -2.270 1.550 0.211 1.00 0.00 O ATOM 149 C5 U A 5 -2.928 1.023 2.435 1.00 0.00 C ATOM 150 C6 U A 5 -2.557 0.443 3.603 1.00 0.00 C ATOM 0 H5' U A 5 -3.905 -2.217 7.321 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.773 -0.766 8.296 1.00 0.00 H new ATOM 0 H4' U A 5 -1.595 -1.681 7.669 1.00 0.00 H new ATOM 0 H3' U A 5 -2.313 1.120 6.653 1.00 0.00 H new ATOM 0 H2' U A 5 0.025 1.218 5.777 1.00 0.00 H new ATOM 0 HO2' U A 5 0.616 -0.267 7.768 1.00 0.00 H new ATOM 0 H1' U A 5 -0.044 -1.369 4.703 1.00 0.00 H new ATOM 0 H3 U A 5 0.030 1.012 0.962 1.00 0.00 H new ATOM 0 H5 U A 5 -3.945 1.364 2.312 1.00 0.00 H new ATOM 0 H6 U A 5 -3.293 0.297 4.380 1.00 0.00 H new ATOM 161 P G A 6 -1.111 2.352 8.612 1.00 0.00 P ATOM 162 OP1 G A 6 -0.572 2.403 9.989 1.00 0.00 O ATOM 163 OP2 G A 6 -2.402 3.006 8.324 1.00 0.00 O ATOM 164 O5' G A 6 -0.041 2.928 7.566 1.00 0.00 O ATOM 165 C5' G A 6 1.344 2.848 7.823 1.00 0.00 C ATOM 166 C4' G A 6 2.204 3.547 6.757 1.00 0.00 C ATOM 167 O4' G A 6 2.201 2.865 5.495 1.00 0.00 O ATOM 168 C3' G A 6 1.742 4.965 6.421 1.00 0.00 C ATOM 169 O3' G A 6 2.075 5.932 7.407 1.00 0.00 O ATOM 170 C2' G A 6 2.531 5.166 5.126 1.00 0.00 C ATOM 171 O2' G A 6 3.895 5.425 5.421 1.00 0.00 O ATOM 172 C1' G A 6 2.378 3.821 4.440 1.00 0.00 C ATOM 173 N9 G A 6 1.229 3.877 3.505 1.00 0.00 N ATOM 174 C8 G A 6 -0.089 3.598 3.748 1.00 0.00 C ATOM 175 N7 G A 6 -0.882 3.867 2.754 1.00 0.00 N ATOM 176 C5 G A 6 -0.035 4.339 1.754 1.00 0.00 C ATOM 177 C6 G A 6 -0.312 4.779 0.415 1.00 0.00 C ATOM 178 O6 G A 6 -1.393 4.886 -0.166 1.00 0.00 O ATOM 179 N1 G A 6 0.834 5.119 -0.288 1.00 0.00 N ATOM 180 C2 G A 6 2.107 5.066 0.229 1.00 0.00 C ATOM 181 N2 G A 6 3.114 5.343 -0.595 1.00 0.00 N ATOM 182 N3 G A 6 2.384 4.694 1.493 1.00 0.00 N ATOM 183 C4 G A 6 1.271 4.331 2.202 1.00 0.00 C ATOM 0 H5' G A 6 1.635 1.799 7.883 1.00 0.00 H new ATOM 0 H5'' G A 6 1.552 3.293 8.796 1.00 0.00 H new ATOM 0 H4' G A 6 3.190 3.550 7.221 1.00 0.00 H new ATOM 0 H3' G A 6 0.661 5.084 6.352 1.00 0.00 H new ATOM 0 H2' G A 6 2.185 6.004 4.521 1.00 0.00 H new ATOM 0 HO2' G A 6 4.170 6.261 4.990 1.00 0.00 H new ATOM 0 H1' G A 6 3.242 3.542 3.837 1.00 0.00 H new ATOM 0 H8 G A 6 -0.439 3.190 4.684 1.00 0.00 H new ATOM 0 H1 G A 6 0.725 5.429 -1.254 1.00 0.00 H new ATOM 0 H21 G A 6 4.075 5.316 -0.253 1.00 0.00 H new ATOM 0 H22 G A 6 2.925 5.583 -1.568 1.00 0.00 H new ATOM 195 P G A 7 1.478 7.403 7.316 1.00 0.00 P ATOM 196 OP1 G A 7 1.938 8.190 8.483 1.00 0.00 O ATOM 197 OP2 G A 7 0.039 7.348 7.005 1.00 0.00 O ATOM 198 O5' G A 7 2.177 7.947 6.009 1.00 0.00 O ATOM 199 C5' G A 7 3.323 8.742 6.071 1.00 0.00 C ATOM 200 C4' G A 7 3.858 9.112 4.684 1.00 0.00 C ATOM 201 O4' G A 7 3.770 8.038 3.747 1.00 0.00 O ATOM 202 C3' G A 7 3.184 10.329 4.040 1.00 0.00 C ATOM 203 O3' G A 7 3.654 11.637 4.364 1.00 0.00 O ATOM 204 C2' G A 7 3.531 10.062 2.585 1.00 0.00 C ATOM 205 O2' G A 7 4.851 10.544 2.405 1.00 0.00 O ATOM 206 C1' G A 7 3.354 8.545 2.477 1.00 0.00 C ATOM 207 N9 G A 7 1.919 8.238 2.201 1.00 0.00 N ATOM 208 C8 G A 7 0.917 7.946 3.090 1.00 0.00 C ATOM 209 N7 G A 7 -0.284 8.031 2.598 1.00 0.00 N ATOM 210 C5 G A 7 -0.079 8.249 1.243 1.00 0.00 C ATOM 211 C6 G A 7 -1.024 8.404 0.172 1.00 0.00 C ATOM 212 O6 G A 7 -2.254 8.504 0.211 1.00 0.00 O ATOM 213 N1 G A 7 -0.399 8.503 -1.060 1.00 0.00 N ATOM 214 C2 G A 7 0.964 8.557 -1.244 1.00 0.00 C ATOM 215 N2 G A 7 1.391 8.746 -2.486 1.00 0.00 N ATOM 216 N3 G A 7 1.859 8.535 -0.241 1.00 0.00 N ATOM 217 C4 G A 7 1.277 8.328 0.979 1.00 0.00 C ATOM 0 H5' G A 7 4.098 8.214 6.626 1.00 0.00 H new ATOM 0 H5'' G A 7 3.099 9.653 6.625 1.00 0.00 H new ATOM 0 H4' G A 7 4.899 9.357 4.893 1.00 0.00 H new ATOM 0 H3' G A 7 2.145 10.384 4.364 1.00 0.00 H new ATOM 0 H2' G A 7 2.933 10.545 1.812 1.00 0.00 H new ATOM 0 HO2' G A 7 5.048 11.221 3.086 1.00 0.00 H new ATOM 0 H1' G A 7 3.932 8.096 1.669 1.00 0.00 H new ATOM 0 H8 G A 7 1.109 7.668 4.116 1.00 0.00 H new ATOM 0 H1 G A 7 -0.991 8.538 -1.890 1.00 0.00 H new ATOM 0 H21 G A 7 2.391 8.794 -2.680 1.00 0.00 H new ATOM 0 H22 G A 7 0.719 8.843 -3.247 1.00 0.00 H new ATOM 229 P C A 8 3.423 12.265 5.811 1.00 0.00 P ATOM 230 OP1 C A 8 3.548 13.732 5.728 1.00 0.00 O ATOM 231 OP2 C A 8 4.323 11.558 6.740 1.00 0.00 O ATOM 232 O5' C A 8 1.901 11.913 6.152 1.00 0.00 O ATOM 233 C5' C A 8 0.879 12.758 5.674 1.00 0.00 C ATOM 234 C4' C A 8 -0.541 12.169 5.627 1.00 0.00 C ATOM 235 O4' C A 8 -1.231 12.868 4.594 1.00 0.00 O ATOM 236 C3' C A 8 -0.706 10.661 5.351 1.00 0.00 C ATOM 237 O3' C A 8 -0.798 9.904 6.548 1.00 0.00 O ATOM 238 C2' C A 8 -2.011 10.647 4.556 1.00 0.00 C ATOM 239 O2' C A 8 -3.110 10.727 5.438 1.00 0.00 O ATOM 240 C1' C A 8 -1.981 11.967 3.787 1.00 0.00 C ATOM 241 N1 C A 8 -1.425 11.891 2.400 1.00 0.00 N ATOM 242 C2 C A 8 -2.278 12.153 1.316 1.00 0.00 C ATOM 243 O2 C A 8 -3.468 12.469 1.468 1.00 0.00 O ATOM 244 N3 C A 8 -1.779 12.120 0.040 1.00 0.00 N ATOM 245 C4 C A 8 -0.493 11.796 -0.176 1.00 0.00 C ATOM 246 N4 C A 8 -0.037 11.709 -1.421 1.00 0.00 N ATOM 247 C5 C A 8 0.406 11.580 0.907 1.00 0.00 C ATOM 248 C6 C A 8 -0.092 11.630 2.164 1.00 0.00 C ATOM 0 H5' C A 8 1.147 13.080 4.668 1.00 0.00 H new ATOM 0 H5'' C A 8 0.856 13.651 6.299 1.00 0.00 H new ATOM 0 H4' C A 8 -0.926 12.290 6.639 1.00 0.00 H new ATOM 0 H3' C A 8 0.137 10.209 4.829 1.00 0.00 H new ATOM 0 H2' C A 8 -2.102 9.753 3.939 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.806 10.566 6.355 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.455 9.000 6.390 1.00 0.00 H new ATOM 0 H1' C A 8 -3.007 12.296 3.620 1.00 0.00 H new ATOM 0 H41 C A 8 0.938 11.463 -1.591 1.00 0.00 H new ATOM 0 H42 C A 8 -0.662 11.888 -2.207 1.00 0.00 H new ATOM 0 H5 C A 8 1.453 11.382 0.730 1.00 0.00 H new ATOM 0 H6 C A 8 0.569 11.462 3.001 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -10.828 10.877 -6.626 1.00 0.00 O ATOM 263 C5' G B 101 -9.983 9.799 -7.002 1.00 0.00 C ATOM 264 C4' G B 101 -8.552 10.299 -7.250 1.00 0.00 C ATOM 265 O4' G B 101 -8.142 11.163 -6.197 1.00 0.00 O ATOM 266 C3' G B 101 -7.550 9.144 -7.309 1.00 0.00 C ATOM 267 O3' G B 101 -7.366 8.676 -8.635 1.00 0.00 O ATOM 268 C2' G B 101 -6.290 9.798 -6.746 1.00 0.00 C ATOM 269 O2' G B 101 -5.541 10.433 -7.768 1.00 0.00 O ATOM 270 C1' G B 101 -6.818 10.856 -5.790 1.00 0.00 C ATOM 271 N9 G B 101 -6.798 10.374 -4.394 1.00 0.00 N ATOM 272 C8 G B 101 -7.785 9.736 -3.698 1.00 0.00 C ATOM 273 N7 G B 101 -7.535 9.596 -2.424 1.00 0.00 N ATOM 274 C5 G B 101 -6.247 10.092 -2.283 1.00 0.00 C ATOM 275 C6 G B 101 -5.437 10.209 -1.110 1.00 0.00 C ATOM 276 O6 G B 101 -5.727 9.899 0.048 1.00 0.00 O ATOM 277 N1 G B 101 -4.225 10.825 -1.363 1.00 0.00 N ATOM 278 C2 G B 101 -3.851 11.302 -2.602 1.00 0.00 C ATOM 279 N2 G B 101 -2.754 12.029 -2.679 1.00 0.00 N ATOM 280 N3 G B 101 -4.602 11.215 -3.710 1.00 0.00 N ATOM 281 C4 G B 101 -5.790 10.586 -3.485 1.00 0.00 C ATOM 0 H5' G B 101 -10.370 9.323 -7.903 1.00 0.00 H new ATOM 0 H5'' G B 101 -9.979 9.042 -6.218 1.00 0.00 H new ATOM 0 H4' G B 101 -8.565 10.823 -8.206 1.00 0.00 H new ATOM 0 H3' G B 101 -7.862 8.256 -6.760 1.00 0.00 H new ATOM 0 H2' G B 101 -5.632 9.067 -6.275 1.00 0.00 H new ATOM 0 HO2' G B 101 -4.654 10.020 -7.828 1.00 0.00 H new ATOM 0 HO5' G B 101 -10.292 11.580 -6.203 1.00 0.00 H new ATOM 0 H1' G B 101 -6.187 11.744 -5.823 1.00 0.00 H new ATOM 0 H8 G B 101 -8.693 9.379 -4.161 1.00 0.00 H new ATOM 0 H1 G B 101 -3.570 10.933 -0.589 1.00 0.00 H new ATOM 0 H21 G B 101 -2.449 12.398 -3.580 1.00 0.00 H new ATOM 0 H22 G B 101 -2.211 12.223 -1.838 1.00 0.00 H new ATOM 294 P C B 102 -6.593 7.324 -8.942 1.00 0.00 P ATOM 295 OP1 C B 102 -6.767 7.042 -10.377 1.00 0.00 O ATOM 296 OP2 C B 102 -7.021 6.299 -7.975 1.00 0.00 O ATOM 297 O5' C B 102 -5.055 7.668 -8.678 1.00 0.00 O ATOM 298 C5' C B 102 -4.206 8.146 -9.708 1.00 0.00 C ATOM 299 C4' C B 102 -2.830 8.476 -9.133 1.00 0.00 C ATOM 300 O4' C B 102 -2.936 9.181 -7.910 1.00 0.00 O ATOM 301 C3' C B 102 -2.084 7.192 -8.831 1.00 0.00 C ATOM 302 O3' C B 102 -1.434 6.715 -10.002 1.00 0.00 O ATOM 303 C2' C B 102 -1.118 7.656 -7.753 1.00 0.00 C ATOM 304 O2' C B 102 0.090 8.121 -8.328 1.00 0.00 O ATOM 305 C1' C B 102 -1.907 8.746 -7.031 1.00 0.00 C ATOM 306 N1 C B 102 -2.437 8.286 -5.713 1.00 0.00 N ATOM 307 C2 C B 102 -1.704 8.595 -4.564 1.00 0.00 C ATOM 308 O2 C B 102 -0.584 9.129 -4.634 1.00 0.00 O ATOM 309 N3 C B 102 -2.227 8.333 -3.341 1.00 0.00 N ATOM 310 C4 C B 102 -3.412 7.719 -3.225 1.00 0.00 C ATOM 311 N4 C B 102 -3.897 7.488 -2.013 1.00 0.00 N ATOM 312 C5 C B 102 -4.159 7.327 -4.380 1.00 0.00 C ATOM 313 C6 C B 102 -3.623 7.608 -5.598 1.00 0.00 C ATOM 0 H5' C B 102 -4.641 9.034 -10.167 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.112 7.395 -10.492 1.00 0.00 H new ATOM 0 H4' C B 102 -2.309 9.085 -9.872 1.00 0.00 H new ATOM 0 H3' C B 102 -2.701 6.353 -8.509 1.00 0.00 H new ATOM 0 H2' C B 102 -0.799 6.870 -7.068 1.00 0.00 H new ATOM 0 HO2' C B 102 0.824 7.521 -8.078 1.00 0.00 H new ATOM 0 H1' C B 102 -1.251 9.582 -6.788 1.00 0.00 H new ATOM 0 H41 C B 102 -4.798 7.022 -1.904 1.00 0.00 H new ATOM 0 H42 C B 102 -3.369 7.777 -1.189 1.00 0.00 H new ATOM 0 H5 C B 102 -5.112 6.827 -4.288 1.00 0.00 H new ATOM 0 H6 C B 102 -4.141 7.291 -6.491 1.00 0.00 H new ATOM 325 P C B 103 -0.888 5.223 -10.085 1.00 0.00 P ATOM 326 OP1 C B 103 -0.542 4.976 -11.496 1.00 0.00 O ATOM 327 OP2 C B 103 -1.879 4.359 -9.424 1.00 0.00 O ATOM 328 O5' C B 103 0.428 5.261 -9.191 1.00 0.00 O ATOM 329 C5' C B 103 1.739 5.274 -9.726 1.00 0.00 C ATOM 330 C4' C B 103 2.774 5.362 -8.586 1.00 0.00 C ATOM 331 O4' C B 103 2.361 6.302 -7.582 1.00 0.00 O ATOM 332 C3' C B 103 3.129 4.053 -7.849 1.00 0.00 C ATOM 333 O3' C B 103 4.200 3.316 -8.444 1.00 0.00 O ATOM 334 C2' C B 103 3.652 4.654 -6.549 1.00 0.00 C ATOM 335 O2' C B 103 4.966 5.107 -6.811 1.00 0.00 O ATOM 336 C1' C B 103 2.736 5.833 -6.279 1.00 0.00 C ATOM 337 N1 C B 103 1.576 5.442 -5.415 1.00 0.00 N ATOM 338 C2 C B 103 1.725 5.501 -4.022 1.00 0.00 C ATOM 339 O2 C B 103 2.822 5.727 -3.500 1.00 0.00 O ATOM 340 N3 C B 103 0.630 5.319 -3.224 1.00 0.00 N ATOM 341 C4 C B 103 -0.566 5.035 -3.753 1.00 0.00 C ATOM 342 N4 C B 103 -1.619 4.871 -2.975 1.00 0.00 N ATOM 343 C5 C B 103 -0.737 4.923 -5.166 1.00 0.00 C ATOM 344 C6 C B 103 0.351 5.107 -5.942 1.00 0.00 C ATOM 0 H5' C B 103 1.857 6.122 -10.401 1.00 0.00 H new ATOM 0 H5'' C B 103 1.909 4.372 -10.314 1.00 0.00 H new ATOM 0 H4' C B 103 3.670 5.670 -9.124 1.00 0.00 H new ATOM 0 H3' C B 103 2.296 3.351 -7.809 1.00 0.00 H new ATOM 0 H2' C B 103 3.669 3.964 -5.705 1.00 0.00 H new ATOM 0 HO2' C B 103 5.305 4.676 -7.624 1.00 0.00 H new ATOM 0 H1' C B 103 3.218 6.628 -5.710 1.00 0.00 H new ATOM 0 H41 C B 103 -2.527 4.655 -3.385 1.00 0.00 H new ATOM 0 H42 C B 103 -1.524 4.961 -1.963 1.00 0.00 H new ATOM 0 H5 C B 103 -1.701 4.699 -5.598 1.00 0.00 H new ATOM 0 H6 C B 103 0.257 4.987 -7.011 1.00 0.00 H new ATOM 356 P A B 104 4.628 1.845 -7.941 1.00 0.00 P ATOM 357 OP1 A B 104 5.679 1.342 -8.848 1.00 0.00 O ATOM 358 OP2 A B 104 3.418 1.019 -7.720 1.00 0.00 O ATOM 359 O5' A B 104 5.296 1.995 -6.500 1.00 0.00 O ATOM 360 C5' A B 104 6.679 2.223 -6.293 1.00 0.00 C ATOM 361 C4' A B 104 7.010 2.279 -4.791 1.00 0.00 C ATOM 362 O4' A B 104 6.149 3.176 -4.092 1.00 0.00 O ATOM 363 C3' A B 104 6.924 0.938 -4.056 1.00 0.00 C ATOM 364 O3' A B 104 8.159 0.235 -4.099 1.00 0.00 O ATOM 365 C2' A B 104 6.661 1.409 -2.627 1.00 0.00 C ATOM 366 O2' A B 104 7.910 1.768 -2.074 1.00 0.00 O ATOM 367 C1' A B 104 5.770 2.632 -2.822 1.00 0.00 C ATOM 368 N9 A B 104 4.327 2.267 -2.810 1.00 0.00 N ATOM 369 C8 A B 104 3.484 2.144 -3.878 1.00 0.00 C ATOM 370 N7 A B 104 2.229 1.948 -3.598 1.00 0.00 N ATOM 371 C5 A B 104 2.247 1.901 -2.209 1.00 0.00 C ATOM 372 C6 A B 104 1.222 1.750 -1.257 1.00 0.00 C ATOM 373 N6 A B 104 -0.063 1.694 -1.606 1.00 0.00 N ATOM 374 N1 A B 104 1.552 1.659 0.037 1.00 0.00 N ATOM 375 C2 A B 104 2.837 1.732 0.385 1.00 0.00 C ATOM 376 N3 A B 104 3.902 1.917 -0.403 1.00 0.00 N ATOM 377 C4 A B 104 3.529 2.003 -1.714 1.00 0.00 C ATOM 0 H5' A B 104 6.972 3.159 -6.769 1.00 0.00 H new ATOM 0 H5'' A B 104 7.257 1.430 -6.767 1.00 0.00 H new ATOM 0 H4' A B 104 8.047 2.615 -4.784 1.00 0.00 H new ATOM 0 H3' A B 104 6.182 0.258 -4.475 1.00 0.00 H new ATOM 0 H2' A B 104 6.197 0.675 -1.968 1.00 0.00 H new ATOM 0 HO2' A B 104 8.629 1.334 -2.580 1.00 0.00 H new ATOM 0 H1' A B 104 5.900 3.351 -2.013 1.00 0.00 H new ATOM 0 H8 A B 104 3.839 2.206 -4.896 1.00 0.00 H new ATOM 0 H61 A B 104 -0.781 1.584 -0.890 1.00 0.00 H new ATOM 0 H62 A B 104 -0.328 1.761 -2.589 1.00 0.00 H new ATOM 0 H2 A B 104 3.045 1.628 1.440 1.00 0.00 H new ATOM 389 P DC B 105 8.224 -1.308 -4.494 1.00 0.00 P ATOM 390 OP1 DC B 105 9.643 -1.670 -4.674 1.00 0.00 O ATOM 391 OP2 DC B 105 7.296 -1.537 -5.621 1.00 0.00 O ATOM 392 O5' DC B 105 7.655 -2.076 -3.206 1.00 0.00 O ATOM 393 C5' DC B 105 8.483 -2.281 -2.067 1.00 0.00 C ATOM 394 C4' DC B 105 7.729 -2.360 -0.731 1.00 0.00 C ATOM 395 O4' DC B 105 6.910 -1.202 -0.575 1.00 0.00 O ATOM 396 C3' DC B 105 6.841 -3.585 -0.485 1.00 0.00 C ATOM 397 O3' DC B 105 7.561 -4.672 0.082 1.00 0.00 O ATOM 398 C2' DC B 105 5.890 -2.976 0.546 1.00 0.00 C ATOM 399 C1' DC B 105 5.678 -1.548 0.067 1.00 0.00 C ATOM 400 N1 DC B 105 4.475 -1.475 -0.818 1.00 0.00 N ATOM 401 C2 DC B 105 3.203 -1.540 -0.231 1.00 0.00 C ATOM 402 O2 DC B 105 3.058 -1.634 0.994 1.00 0.00 O ATOM 403 N3 DC B 105 2.097 -1.517 -1.034 1.00 0.00 N ATOM 404 C4 DC B 105 2.220 -1.424 -2.362 1.00 0.00 C ATOM 405 N4 DC B 105 1.121 -1.362 -3.097 1.00 0.00 N ATOM 406 C5 DC B 105 3.504 -1.356 -2.989 1.00 0.00 C ATOM 407 C6 DC B 105 4.589 -1.386 -2.180 1.00 0.00 C ATOM 0 H5' DC B 105 9.209 -1.470 -2.012 1.00 0.00 H new ATOM 0 H5'' DC B 105 9.046 -3.204 -2.206 1.00 0.00 H new ATOM 0 H4' DC B 105 8.535 -2.438 -0.001 1.00 0.00 H new ATOM 0 H3' DC B 105 6.386 -4.010 -1.380 1.00 0.00 H new ATOM 0 H2' DC B 105 4.949 -3.524 0.591 1.00 0.00 H new ATOM 0 H2'' DC B 105 6.321 -3.000 1.547 1.00 0.00 H new ATOM 0 H1' DC B 105 5.463 -0.836 0.864 1.00 0.00 H new ATOM 0 H41 DC B 105 1.190 -1.291 -4.112 1.00 0.00 H new ATOM 0 H42 DC B 105 0.205 -1.386 -2.648 1.00 0.00 H new ATOM 0 H5 DC B 105 3.604 -1.284 -4.062 1.00 0.00 H new ATOM 0 H6 DC B 105 5.573 -1.338 -2.622 1.00 0.00 H new ATOM 419 P DT B 106 6.928 -6.142 0.193 1.00 0.00 P ATOM 420 OP1 DT B 106 7.840 -7.017 0.964 1.00 0.00 O ATOM 421 OP2 DT B 106 6.514 -6.592 -1.152 1.00 0.00 O ATOM 422 O5' DT B 106 5.615 -6.004 1.074 1.00 0.00 O ATOM 423 C5' DT B 106 5.681 -5.759 2.470 1.00 0.00 C ATOM 424 C4' DT B 106 4.291 -5.814 3.098 1.00 0.00 C ATOM 425 O4' DT B 106 3.406 -4.860 2.528 1.00 0.00 O ATOM 426 C3' DT B 106 3.692 -7.204 2.923 1.00 0.00 C ATOM 427 O3' DT B 106 4.118 -8.015 4.007 1.00 0.00 O ATOM 428 C2' DT B 106 2.210 -6.867 2.909 1.00 0.00 C ATOM 429 C1' DT B 106 2.122 -5.456 2.349 1.00 0.00 C ATOM 430 N1 DT B 106 1.708 -5.488 0.921 1.00 0.00 N ATOM 431 C2 DT B 106 0.365 -5.744 0.632 1.00 0.00 C ATOM 432 O2 DT B 106 -0.492 -5.967 1.493 1.00 0.00 O ATOM 433 N3 DT B 106 0.036 -5.752 -0.710 1.00 0.00 N ATOM 434 C4 DT B 106 0.889 -5.552 -1.777 1.00 0.00 C ATOM 435 O4 DT B 106 0.460 -5.665 -2.929 1.00 0.00 O ATOM 436 C5 DT B 106 2.265 -5.276 -1.396 1.00 0.00 C ATOM 437 C7 DT B 106 3.304 -5.009 -2.465 1.00 0.00 C ATOM 438 C6 DT B 106 2.619 -5.275 -0.083 1.00 0.00 C ATOM 0 H5' DT B 106 6.128 -4.782 2.651 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.328 -6.498 2.943 1.00 0.00 H new ATOM 0 H4' DT B 106 4.411 -5.581 4.156 1.00 0.00 H new ATOM 0 H3' DT B 106 3.978 -7.775 2.040 1.00 0.00 H new ATOM 0 H2' DT B 106 1.653 -7.571 2.290 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.786 -6.919 3.912 1.00 0.00 H new ATOM 0 H1' DT B 106 1.367 -4.865 2.867 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.943 -5.924 -0.937 1.00 0.00 H new ATOM 0 H71 DT B 106 4.067 -4.338 -2.071 1.00 0.00 H new ATOM 0 H72 DT B 106 3.767 -5.949 -2.765 1.00 0.00 H new ATOM 0 H73 DT B 106 2.826 -4.547 -3.329 1.00 0.00 H new ATOM 0 H6 DT B 106 3.652 -5.101 0.179 1.00 0.00 H new ATOM 451 P DG B 107 3.724 -9.545 4.173 1.00 0.00 P ATOM 452 OP1 DG B 107 4.489 -10.036 5.339 1.00 0.00 O ATOM 453 OP2 DG B 107 3.875 -10.232 2.873 1.00 0.00 O ATOM 454 O5' DG B 107 2.186 -9.560 4.542 1.00 0.00 O ATOM 455 C5' DG B 107 1.692 -8.888 5.686 1.00 0.00 C ATOM 456 C4' DG B 107 0.165 -8.938 5.682 1.00 0.00 C ATOM 457 O4' DG B 107 -0.359 -8.507 4.425 1.00 0.00 O ATOM 458 C3' DG B 107 -0.310 -10.374 5.893 1.00 0.00 C ATOM 459 O3' DG B 107 -1.444 -10.370 6.727 1.00 0.00 O ATOM 460 C2' DG B 107 -0.705 -10.812 4.493 1.00 0.00 C ATOM 461 C1' DG B 107 -1.198 -9.513 3.868 1.00 0.00 C ATOM 462 N9 DG B 107 -1.073 -9.553 2.392 1.00 0.00 N ATOM 463 C8 DG B 107 0.073 -9.754 1.670 1.00 0.00 C ATOM 464 N7 DG B 107 -0.093 -9.707 0.375 1.00 0.00 N ATOM 465 C5 DG B 107 -1.462 -9.510 0.227 1.00 0.00 C ATOM 466 C6 DG B 107 -2.247 -9.448 -0.969 1.00 0.00 C ATOM 467 O6 DG B 107 -1.862 -9.536 -2.139 1.00 0.00 O ATOM 468 N1 DG B 107 -3.607 -9.321 -0.707 1.00 0.00 N ATOM 469 C2 DG B 107 -4.168 -9.335 0.556 1.00 0.00 C ATOM 470 N2 DG B 107 -5.490 -9.337 0.662 1.00 0.00 N ATOM 471 N3 DG B 107 -3.439 -9.438 1.684 1.00 0.00 N ATOM 472 C4 DG B 107 -2.086 -9.477 1.457 1.00 0.00 C ATOM 0 H5' DG B 107 2.033 -7.853 5.689 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.080 -9.354 6.592 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.183 -8.283 6.481 1.00 0.00 H new ATOM 0 H3' DG B 107 0.436 -11.021 6.355 1.00 0.00 H new ATOM 0 H2' DG B 107 0.139 -11.231 3.946 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.483 -11.575 4.511 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.253 -9.330 4.074 1.00 0.00 H new ATOM 0 H8 DG B 107 1.032 -9.936 2.132 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.235 -9.210 -1.503 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.928 -9.347 1.583 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.069 -9.328 -0.178 1.00 0.00 H new ATOM 484 P DC B 108 -1.352 -10.683 8.292 1.00 0.00 P ATOM 485 OP1 DC B 108 -1.735 -9.482 9.058 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.083 -11.384 8.617 1.00 0.00 O ATOM 487 O5' DC B 108 -2.505 -11.764 8.448 1.00 0.00 O ATOM 488 C5' DC B 108 -2.767 -12.633 7.372 1.00 0.00 C ATOM 489 C4' DC B 108 -3.608 -13.842 7.766 1.00 0.00 C ATOM 490 O4' DC B 108 -4.202 -14.338 6.568 1.00 0.00 O ATOM 491 C3' DC B 108 -2.700 -14.965 8.263 1.00 0.00 C ATOM 492 O3' DC B 108 -3.384 -15.905 9.077 1.00 0.00 O ATOM 493 C2' DC B 108 -2.239 -15.625 6.974 1.00 0.00 C ATOM 494 C1' DC B 108 -3.458 -15.451 6.067 1.00 0.00 C ATOM 495 N1 DC B 108 -3.043 -15.322 4.637 1.00 0.00 N ATOM 496 C2 DC B 108 -2.962 -16.490 3.869 1.00 0.00 C ATOM 497 O2 DC B 108 -3.330 -17.584 4.313 1.00 0.00 O ATOM 498 N3 DC B 108 -2.468 -16.438 2.595 1.00 0.00 N ATOM 499 C4 DC B 108 -2.098 -15.258 2.076 1.00 0.00 C ATOM 500 N4 DC B 108 -1.636 -15.261 0.837 1.00 0.00 N ATOM 501 C5 DC B 108 -2.132 -14.050 2.841 1.00 0.00 C ATOM 502 C6 DC B 108 -2.615 -14.124 4.108 1.00 0.00 C ATOM 0 H5' DC B 108 -1.821 -12.977 6.953 1.00 0.00 H new ATOM 0 H5'' DC B 108 -3.282 -12.081 6.585 1.00 0.00 H new ATOM 0 H4' DC B 108 -4.330 -13.555 8.531 1.00 0.00 H new ATOM 0 H3' DC B 108 -1.892 -14.587 8.890 1.00 0.00 H new ATOM 0 H2' DC B 108 -1.353 -15.141 6.563 1.00 0.00 H new ATOM 0 H2'' DC B 108 -1.988 -16.675 7.122 1.00 0.00 H new ATOM 0 HO3' DC B 108 -2.759 -16.602 9.367 1.00 0.00 H new ATOM 0 H1' DC B 108 -4.105 -16.328 6.082 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.342 -14.387 0.400 1.00 0.00 H new ATOM 0 H42 DC B 108 -1.573 -16.137 0.318 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.787 -13.114 2.427 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.664 -13.229 4.711 1.00 0.00 H new TER 515 DC B 108