USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 hydrogens (112 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 DT C7 :methyl 150:sc= -0.919 (180deg=-0.919) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.289) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc=-0.00318 (180deg=-0.00318) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DMY N8 :NH3+ -164:sc= 0.485 (180deg=0.36) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.0392 (180deg=-0.0392) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl 150:sc= -0.77 (180deg=-0.77) USER MOD Single : E 6 DT O3' : rot 180:sc= 0 USER MOD Single : E 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 1 DT C7 :methyl 150:sc= -0.476 (180deg=-0.476) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= -0.171 (180deg=-0.781) USER MOD Single : F 6 DT O3' : rot 180:sc= 0 USER MOD Single : F 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 12.327 19.186 8.275 1.00 0.00 O ATOM 2 C5' DT A 1 12.115 18.268 7.201 1.00 0.00 C ATOM 3 C4' DT A 1 10.707 17.649 7.277 1.00 0.00 C ATOM 4 O4' DT A 1 10.495 16.854 6.092 1.00 0.00 O ATOM 5 C3' DT A 1 10.481 16.732 8.492 1.00 0.00 C ATOM 6 O3' DT A 1 9.186 17.007 9.053 1.00 0.00 O ATOM 7 C2' DT A 1 10.519 15.335 7.887 1.00 0.00 C ATOM 8 C1' DT A 1 9.991 15.555 6.470 1.00 0.00 C ATOM 9 N1 DT A 1 10.454 14.523 5.503 1.00 0.00 N ATOM 10 C2 DT A 1 9.546 13.673 4.898 1.00 0.00 C ATOM 11 O2 DT A 1 8.334 13.812 5.051 1.00 0.00 O ATOM 12 N3 DT A 1 9.953 12.675 4.083 1.00 0.00 N ATOM 13 C4 DT A 1 11.251 12.441 3.761 1.00 0.00 C ATOM 14 O4 DT A 1 11.555 11.558 2.967 1.00 0.00 O ATOM 15 C5 DT A 1 12.329 13.378 4.395 1.00 0.00 C ATOM 16 C7 DT A 1 13.800 13.177 4.094 1.00 0.00 C ATOM 17 C6 DT A 1 11.904 14.356 5.223 1.00 0.00 C ATOM 0 H5' DT A 1 12.866 17.479 7.238 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.240 18.782 6.248 1.00 0.00 H new ATOM 0 H4' DT A 1 10.012 18.484 7.368 1.00 0.00 H new ATOM 0 H3' DT A 1 11.211 16.863 9.290 1.00 0.00 H new ATOM 0 H2' DT A 1 11.529 14.926 7.881 1.00 0.00 H new ATOM 0 H2'' DT A 1 9.895 14.637 8.445 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.228 19.566 8.208 1.00 0.00 H new ATOM 0 H1' DT A 1 8.903 15.488 6.453 1.00 0.00 H new ATOM 0 H3 DT A 1 9.242 12.061 3.686 1.00 0.00 H new ATOM 0 H71 DT A 1 14.316 14.136 4.144 1.00 0.00 H new ATOM 0 H72 DT A 1 14.231 12.494 4.826 1.00 0.00 H new ATOM 0 H73 DT A 1 13.913 12.756 3.095 1.00 0.00 H new ATOM 0 H6 DT A 1 12.621 15.020 5.684 1.00 0.00 H new ATOM 31 P DG A 2 8.910 16.666 10.602 1.00 0.00 P ATOM 32 OP1 DG A 2 9.838 17.572 11.426 1.00 0.00 O ATOM 33 OP2 DG A 2 9.252 15.204 10.808 1.00 0.00 O ATOM 34 O5' DG A 2 7.374 16.939 11.009 1.00 0.00 O ATOM 35 C5' DG A 2 6.368 17.580 10.192 1.00 0.00 C ATOM 36 C4' DG A 2 5.038 16.783 10.148 1.00 0.00 C ATOM 37 O4' DG A 2 5.057 15.913 8.996 1.00 0.00 O ATOM 38 C3' DG A 2 4.726 15.919 11.393 1.00 0.00 C ATOM 39 O3' DG A 2 3.326 16.003 11.730 1.00 0.00 O ATOM 40 C2' DG A 2 5.136 14.524 10.923 1.00 0.00 C ATOM 41 C1' DG A 2 4.881 14.550 9.411 1.00 0.00 C ATOM 42 N9 DG A 2 5.821 13.680 8.650 1.00 0.00 N ATOM 43 C8 DG A 2 7.207 13.657 8.628 1.00 0.00 C ATOM 44 N7 DG A 2 7.913 12.703 7.937 1.00 0.00 N ATOM 45 C5 DG A 2 6.818 12.059 7.394 1.00 0.00 C ATOM 46 C6 DG A 2 6.825 10.902 6.367 1.00 0.00 C ATOM 47 O6 DG A 2 7.855 10.387 5.945 1.00 0.00 O ATOM 48 N1 DG A 2 5.604 10.498 5.932 1.00 0.00 N ATOM 49 C2 DG A 2 4.371 11.132 6.364 1.00 0.00 C ATOM 50 N2 DG A 2 3.178 10.708 5.865 1.00 0.00 N ATOM 51 N3 DG A 2 4.362 12.119 7.181 1.00 0.00 N ATOM 52 C4 DG A 2 5.562 12.635 7.783 1.00 0.00 C ATOM 0 H5' DG A 2 6.750 17.698 9.178 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.175 18.581 10.579 1.00 0.00 H new ATOM 0 H4' DG A 2 4.255 17.540 10.107 1.00 0.00 H new ATOM 0 H3' DG A 2 5.244 16.225 12.302 1.00 0.00 H new ATOM 0 H2' DG A 2 6.183 14.319 11.147 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.547 13.749 11.413 1.00 0.00 H new ATOM 0 H1' DG A 2 3.879 14.171 9.208 1.00 0.00 H new ATOM 0 H8 DG A 2 7.750 14.415 9.173 1.00 0.00 H new ATOM 0 H1 DG A 2 5.551 9.719 5.276 1.00 0.00 H new ATOM 0 H21 DG A 2 2.311 11.153 6.168 1.00 0.00 H new ATOM 0 H22 DG A 2 3.150 9.945 5.188 1.00 0.00 H new ATOM 64 P DG A 3 2.694 15.285 13.042 1.00 0.00 P ATOM 65 OP1 DG A 3 1.548 16.162 13.568 1.00 0.00 O ATOM 66 OP2 DG A 3 3.736 15.183 14.155 1.00 0.00 O ATOM 67 O5' DG A 3 2.140 13.821 12.638 1.00 0.00 O ATOM 68 C5' DG A 3 1.339 13.574 11.450 1.00 0.00 C ATOM 69 C4' DG A 3 1.394 12.104 10.976 1.00 0.00 C ATOM 70 O4' DG A 3 2.614 11.847 10.211 1.00 0.00 O ATOM 71 C3' DG A 3 1.330 11.047 12.115 1.00 0.00 C ATOM 72 O3' DG A 3 0.380 9.993 11.847 1.00 0.00 O ATOM 73 C2' DG A 3 2.707 10.406 11.978 1.00 0.00 C ATOM 74 C1' DG A 3 2.914 10.475 10.477 1.00 0.00 C ATOM 75 N9 DG A 3 4.261 10.001 10.053 1.00 0.00 N ATOM 76 C8 DG A 3 5.557 10.354 10.410 1.00 0.00 C ATOM 77 N7 DG A 3 6.646 9.629 9.963 1.00 0.00 N ATOM 78 C5 DG A 3 5.935 8.696 9.215 1.00 0.00 C ATOM 79 C6 DG A 3 6.493 7.586 8.281 1.00 0.00 C ATOM 80 O6 DG A 3 7.687 7.369 8.139 1.00 0.00 O ATOM 81 N1 DG A 3 5.571 6.867 7.588 1.00 0.00 N ATOM 82 C2 DG A 3 4.151 7.126 7.701 1.00 0.00 C ATOM 83 N2 DG A 3 3.263 6.392 6.977 1.00 0.00 N ATOM 84 N3 DG A 3 3.688 8.044 8.462 1.00 0.00 N ATOM 85 C4 DG A 3 4.525 8.904 9.253 1.00 0.00 C ATOM 0 H5' DG A 3 1.685 14.222 10.645 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.303 13.845 11.655 1.00 0.00 H new ATOM 0 H4' DG A 3 0.498 11.991 10.365 1.00 0.00 H new ATOM 0 H3' DG A 3 1.058 11.494 13.071 1.00 0.00 H new ATOM 0 H2' DG A 3 3.473 10.955 12.525 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.723 9.381 12.349 1.00 0.00 H new ATOM 0 H1' DG A 3 2.285 9.803 9.892 1.00 0.00 H new ATOM 0 H8 DG A 3 5.716 11.210 11.048 1.00 0.00 H new ATOM 0 H1 DG A 3 5.889 6.122 6.969 1.00 0.00 H new ATOM 0 H21 DG A 3 2.263 6.576 7.058 1.00 0.00 H new ATOM 0 H22 DG A 3 3.597 5.658 6.353 1.00 0.00 H new ATOM 97 P DG A 4 -1.098 9.843 12.462 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.055 10.877 11.863 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.093 10.028 13.992 1.00 0.00 O ATOM 100 O5' DG A 4 -1.646 8.349 12.167 1.00 0.00 O ATOM 101 C5' DG A 4 -1.805 7.771 10.837 1.00 0.00 C ATOM 102 C4' DG A 4 -1.244 6.328 10.725 1.00 0.00 C ATOM 103 O4' DG A 4 0.160 6.363 10.352 1.00 0.00 O ATOM 104 C3' DG A 4 -1.341 5.486 12.028 1.00 0.00 C ATOM 105 O3' DG A 4 -1.847 4.159 11.789 1.00 0.00 O ATOM 106 C2' DG A 4 0.132 5.382 12.423 1.00 0.00 C ATOM 107 C1' DG A 4 0.787 5.288 11.051 1.00 0.00 C ATOM 108 N9 DG A 4 2.276 5.381 11.069 1.00 0.00 N ATOM 109 C8 DG A 4 3.176 6.142 11.811 1.00 0.00 C ATOM 110 N7 DG A 4 4.536 5.917 11.741 1.00 0.00 N ATOM 111 C5 DG A 4 4.491 4.904 10.794 1.00 0.00 C ATOM 112 C6 DG A 4 5.679 4.109 10.187 1.00 0.00 C ATOM 113 O6 DG A 4 6.841 4.287 10.530 1.00 0.00 O ATOM 114 N1 DG A 4 5.357 3.177 9.251 1.00 0.00 N ATOM 115 C2 DG A 4 3.984 2.915 8.864 1.00 0.00 C ATOM 116 N2 DG A 4 3.697 1.957 7.939 1.00 0.00 N ATOM 117 N3 DG A 4 2.999 3.545 9.389 1.00 0.00 N ATOM 118 C4 DG A 4 3.166 4.585 10.368 1.00 0.00 C ATOM 0 H5' DG A 4 -1.301 8.407 10.109 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.863 7.764 10.575 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.870 5.852 9.970 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.009 5.929 12.766 1.00 0.00 H new ATOM 0 H2' DG A 4 0.472 6.252 12.985 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.334 4.506 13.039 1.00 0.00 H new ATOM 0 H1' DG A 4 0.644 4.315 10.582 1.00 0.00 H new ATOM 0 H8 DG A 4 2.802 6.924 12.455 1.00 0.00 H new ATOM 0 H1 DG A 4 6.105 2.645 8.807 1.00 0.00 H new ATOM 0 H21 DG A 4 2.729 1.779 7.673 1.00 0.00 H new ATOM 0 H22 DG A 4 4.451 1.418 7.513 1.00 0.00 H new ATOM 130 P DG A 5 -2.587 3.282 12.922 1.00 0.00 P ATOM 131 OP1 DG A 5 -3.991 3.845 13.168 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.850 3.417 14.268 1.00 0.00 O ATOM 133 O5' DG A 5 -2.678 1.726 12.466 1.00 0.00 O ATOM 134 C5' DG A 5 -3.033 1.287 11.116 1.00 0.00 C ATOM 135 C4' DG A 5 -2.223 0.046 10.663 1.00 0.00 C ATOM 136 O4' DG A 5 -0.845 0.453 10.464 1.00 0.00 O ATOM 137 C3' DG A 5 -2.227 -1.121 11.685 1.00 0.00 C ATOM 138 O3' DG A 5 -2.234 -2.427 11.057 1.00 0.00 O ATOM 139 C2' DG A 5 -0.845 -0.944 12.311 1.00 0.00 C ATOM 140 C1' DG A 5 -0.023 -0.523 11.093 1.00 0.00 C ATOM 141 N9 DG A 5 1.335 0.001 11.413 1.00 0.00 N ATOM 142 C8 DG A 5 1.804 0.927 12.337 1.00 0.00 C ATOM 143 N7 DG A 5 3.157 1.145 12.510 1.00 0.00 N ATOM 144 C5 DG A 5 3.595 0.289 11.510 1.00 0.00 C ATOM 145 C6 DG A 5 5.058 -0.050 11.111 1.00 0.00 C ATOM 146 O6 DG A 5 6.032 0.421 11.688 1.00 0.00 O ATOM 147 N1 DG A 5 5.202 -0.935 10.088 1.00 0.00 N ATOM 148 C2 DG A 5 4.062 -1.534 9.412 1.00 0.00 C ATOM 149 N2 DG A 5 4.248 -2.407 8.383 1.00 0.00 N ATOM 150 N3 DG A 5 2.859 -1.291 9.775 1.00 0.00 N ATOM 151 C4 DG A 5 2.529 -0.373 10.827 1.00 0.00 C ATOM 0 H5' DG A 5 -2.862 2.104 10.415 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.097 1.055 11.081 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.698 -0.322 9.753 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.096 -1.089 12.342 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.841 -0.185 13.093 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.475 -1.866 12.760 1.00 0.00 H new ATOM 0 H1' DG A 5 0.206 -1.377 10.455 1.00 0.00 H new ATOM 0 H8 DG A 5 1.097 1.487 12.931 1.00 0.00 H new ATOM 0 H1 DG A 5 6.142 -1.187 9.784 1.00 0.00 H new ATOM 0 H21 DG A 5 3.443 -2.822 7.915 1.00 0.00 H new ATOM 0 H22 DG A 5 5.193 -2.645 8.081 1.00 0.00 H new ATOM 163 P DT A 6 -3.504 -3.413 10.901 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.385 -3.023 9.715 1.00 0.00 O ATOM 165 OP2 DT A 6 -4.369 -3.382 12.170 1.00 0.00 O ATOM 166 O5' DT A 6 -2.975 -4.941 10.716 1.00 0.00 O ATOM 167 C5' DT A 6 -2.236 -5.625 11.754 1.00 0.00 C ATOM 168 C4' DT A 6 -0.870 -6.133 11.256 1.00 0.00 C ATOM 169 O4' DT A 6 0.023 -5.040 10.979 1.00 0.00 O ATOM 170 C3' DT A 6 -0.100 -6.947 12.301 1.00 0.00 C ATOM 171 O3' DT A 6 -0.544 -8.293 12.424 1.00 0.00 O ATOM 172 C2' DT A 6 1.321 -6.879 11.748 1.00 0.00 C ATOM 173 C1' DT A 6 1.398 -5.477 11.106 1.00 0.00 C ATOM 174 N1 DT A 6 2.210 -4.541 11.939 1.00 0.00 N ATOM 175 C2 DT A 6 3.566 -4.405 11.701 1.00 0.00 C ATOM 176 O2 DT A 6 4.149 -5.074 10.849 1.00 0.00 O ATOM 177 N3 DT A 6 4.326 -3.567 12.438 1.00 0.00 N ATOM 178 C4 DT A 6 3.858 -2.815 13.464 1.00 0.00 C ATOM 179 O4 DT A 6 4.632 -2.124 14.121 1.00 0.00 O ATOM 180 C5 DT A 6 2.331 -2.914 13.785 1.00 0.00 C ATOM 181 C7 DT A 6 1.732 -2.118 14.930 1.00 0.00 C ATOM 182 C6 DT A 6 1.581 -3.748 13.028 1.00 0.00 C ATOM 0 H5' DT A 6 -2.823 -6.467 12.121 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.086 -4.950 12.596 1.00 0.00 H new ATOM 0 H4' DT A 6 -1.124 -6.733 10.382 1.00 0.00 H new ATOM 0 H3' DT A 6 -0.223 -6.556 13.311 1.00 0.00 H new ATOM 0 H2' DT A 6 2.064 -6.999 12.537 1.00 0.00 H new ATOM 0 H2'' DT A 6 1.504 -7.665 11.016 1.00 0.00 H new ATOM 0 HO3' DT A 6 -0.010 -8.753 13.105 1.00 0.00 H new ATOM 0 H1' DT A 6 1.896 -5.499 10.137 1.00 0.00 H new ATOM 0 H3 DT A 6 5.317 -3.495 12.208 1.00 0.00 H new ATOM 0 H71 DT A 6 2.483 -1.978 15.708 1.00 0.00 H new ATOM 0 H72 DT A 6 1.403 -1.145 14.564 1.00 0.00 H new ATOM 0 H73 DT A 6 0.879 -2.658 15.342 1.00 0.00 H new ATOM 0 H6 DT A 6 0.521 -3.838 13.216 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 8.321 7.741 -6.819 1.00 0.00 O ATOM 198 C5' DT B 1 8.028 6.579 -6.039 1.00 0.00 C ATOM 199 C4' DT B 1 9.186 6.238 -5.082 1.00 0.00 C ATOM 200 O4' DT B 1 9.372 7.344 -4.168 1.00 0.00 O ATOM 201 C3' DT B 1 8.912 4.979 -4.226 1.00 0.00 C ATOM 202 O3' DT B 1 10.075 4.141 -4.130 1.00 0.00 O ATOM 203 C2' DT B 1 8.616 5.561 -2.852 1.00 0.00 C ATOM 204 C1' DT B 1 9.468 6.830 -2.829 1.00 0.00 C ATOM 205 N1 DT B 1 9.006 7.855 -1.852 1.00 0.00 N ATOM 206 C2 DT B 1 9.846 8.274 -0.837 1.00 0.00 C ATOM 207 O2 DT B 1 11.000 7.860 -0.736 1.00 0.00 O ATOM 208 N3 DT B 1 9.451 9.187 0.074 1.00 0.00 N ATOM 209 C4 DT B 1 8.247 9.807 0.052 1.00 0.00 C ATOM 210 O4 DT B 1 7.970 10.661 0.884 1.00 0.00 O ATOM 211 C5 DT B 1 7.265 9.429 -1.104 1.00 0.00 C ATOM 212 C7 DT B 1 5.914 10.111 -1.212 1.00 0.00 C ATOM 213 C6 DT B 1 7.656 8.473 -1.974 1.00 0.00 C ATOM 0 H5' DT B 1 7.839 5.733 -6.700 1.00 0.00 H new ATOM 0 H5'' DT B 1 7.116 6.745 -5.465 1.00 0.00 H new ATOM 0 H4' DT B 1 10.064 6.049 -5.700 1.00 0.00 H new ATOM 0 H3' DT B 1 8.116 4.363 -4.645 1.00 0.00 H new ATOM 0 H2' DT B 1 7.556 5.783 -2.727 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.894 4.873 -2.053 1.00 0.00 H new ATOM 0 HO5' DT B 1 7.569 7.931 -7.417 1.00 0.00 H new ATOM 0 H1' DT B 1 10.484 6.595 -2.513 1.00 0.00 H new ATOM 0 H3 DT B 1 10.099 9.425 0.825 1.00 0.00 H new ATOM 0 H71 DT B 1 5.612 10.157 -2.258 1.00 0.00 H new ATOM 0 H72 DT B 1 5.174 9.545 -0.646 1.00 0.00 H new ATOM 0 H73 DT B 1 5.983 11.121 -0.809 1.00 0.00 H new ATOM 0 H6 DT B 1 6.988 8.155 -2.761 1.00 0.00 H new ATOM 227 P DG B 2 10.343 2.923 -5.158 1.00 0.00 P ATOM 228 OP1 DG B 2 10.721 3.498 -6.531 1.00 0.00 O ATOM 229 OP2 DG B 2 9.049 2.130 -5.364 1.00 0.00 O ATOM 230 O5' DG B 2 11.525 1.958 -4.610 1.00 0.00 O ATOM 231 C5' DG B 2 12.946 2.275 -4.666 1.00 0.00 C ATOM 232 C4' DG B 2 13.675 2.179 -3.304 1.00 0.00 C ATOM 233 O4' DG B 2 13.397 3.371 -2.547 1.00 0.00 O ATOM 234 C3' DG B 2 13.306 0.970 -2.409 1.00 0.00 C ATOM 235 O3' DG B 2 14.276 -0.117 -2.360 1.00 0.00 O ATOM 236 C2' DG B 2 13.041 1.584 -1.031 1.00 0.00 C ATOM 237 C1' DG B 2 13.454 3.063 -1.151 1.00 0.00 C ATOM 238 N9 DG B 2 12.535 3.986 -0.424 1.00 0.00 N ATOM 239 C8 DG B 2 11.161 4.121 -0.529 1.00 0.00 C ATOM 240 N7 DG B 2 10.439 4.908 0.335 1.00 0.00 N ATOM 241 C5 DG B 2 11.522 5.414 1.038 1.00 0.00 C ATOM 242 C6 DG B 2 11.500 6.512 2.132 1.00 0.00 C ATOM 243 O6 DG B 2 10.464 7.024 2.547 1.00 0.00 O ATOM 244 N1 DG B 2 12.713 6.911 2.590 1.00 0.00 N ATOM 245 C2 DG B 2 13.957 6.387 2.060 1.00 0.00 C ATOM 246 N2 DG B 2 15.141 6.881 2.520 1.00 0.00 N ATOM 247 N3 DG B 2 13.984 5.495 1.136 1.00 0.00 N ATOM 248 C4 DG B 2 12.787 4.922 0.572 1.00 0.00 C ATOM 0 H5' DG B 2 13.066 3.285 -5.058 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.429 1.599 -5.372 1.00 0.00 H new ATOM 0 H4' DG B 2 14.726 2.051 -3.565 1.00 0.00 H new ATOM 0 H3' DG B 2 12.442 0.455 -2.829 1.00 0.00 H new ATOM 0 H2' DG B 2 11.990 1.491 -0.756 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.619 1.077 -0.258 1.00 0.00 H new ATOM 0 H1' DG B 2 14.442 3.198 -0.712 1.00 0.00 H new ATOM 0 H8 DG B 2 10.641 3.592 -1.314 1.00 0.00 H new ATOM 0 H1 DG B 2 12.752 7.606 3.336 1.00 0.00 H new ATOM 0 H21 DG B 2 16.021 6.519 2.154 1.00 0.00 H new ATOM 0 H22 DG B 2 15.147 7.613 3.231 1.00 0.00 H new ATOM 260 P DG B 3 15.874 0.006 -2.116 1.00 0.00 P ATOM 261 OP1 DG B 3 16.570 0.172 -3.476 1.00 0.00 O ATOM 262 OP2 DG B 3 16.397 -1.286 -1.482 1.00 0.00 O ATOM 263 O5' DG B 3 16.184 1.299 -1.187 1.00 0.00 O ATOM 264 C5' DG B 3 17.305 1.468 -0.290 1.00 0.00 C ATOM 265 C4' DG B 3 16.883 1.575 1.196 1.00 0.00 C ATOM 266 O4' DG B 3 15.707 2.395 1.430 1.00 0.00 O ATOM 267 C3' DG B 3 16.561 0.233 1.881 1.00 0.00 C ATOM 268 O3' DG B 3 17.743 -0.457 2.384 1.00 0.00 O ATOM 269 C2' DG B 3 15.507 0.603 2.933 1.00 0.00 C ATOM 270 C1' DG B 3 15.366 2.121 2.801 1.00 0.00 C ATOM 271 N9 DG B 3 14.017 2.618 3.211 1.00 0.00 N ATOM 272 C8 DG B 3 12.726 2.309 2.800 1.00 0.00 C ATOM 273 N7 DG B 3 11.618 2.835 3.437 1.00 0.00 N ATOM 274 C5 DG B 3 12.310 3.606 4.362 1.00 0.00 C ATOM 275 C6 DG B 3 11.729 4.576 5.429 1.00 0.00 C ATOM 276 O6 DG B 3 10.526 4.742 5.591 1.00 0.00 O ATOM 277 N1 DG B 3 12.641 5.252 6.178 1.00 0.00 N ATOM 278 C2 DG B 3 14.073 5.096 5.979 1.00 0.00 C ATOM 279 N2 DG B 3 14.952 5.792 6.746 1.00 0.00 N ATOM 280 N3 DG B 3 14.547 4.311 5.088 1.00 0.00 N ATOM 281 C4 DG B 3 13.730 3.508 4.229 1.00 0.00 C ATOM 0 H5' DG B 3 17.855 2.366 -0.571 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.987 0.626 -0.408 1.00 0.00 H new ATOM 0 H4' DG B 3 17.779 2.026 1.621 1.00 0.00 H new ATOM 0 H3' DG B 3 16.170 -0.517 1.193 1.00 0.00 H new ATOM 0 H2' DG B 3 14.560 0.097 2.744 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.827 0.318 3.935 1.00 0.00 H new ATOM 0 H1' DG B 3 16.025 2.660 3.482 1.00 0.00 H new ATOM 0 H8 DG B 3 12.585 1.642 1.963 1.00 0.00 H new ATOM 0 H1 DG B 3 12.310 5.889 6.903 1.00 0.00 H new ATOM 0 H21 DG B 3 15.955 5.679 6.602 1.00 0.00 H new ATOM 0 H22 DG B 3 14.609 6.428 7.466 1.00 0.00 H new ATOM 293 P DG B 4 18.537 -0.243 3.793 1.00 0.00 P ATOM 294 OP1 DG B 4 20.002 -0.651 3.574 1.00 0.00 O ATOM 295 OP2 DG B 4 17.951 -1.164 4.876 1.00 0.00 O ATOM 296 O5' DG B 4 18.461 1.310 4.254 1.00 0.00 O ATOM 297 C5' DG B 4 19.314 1.944 5.249 1.00 0.00 C ATOM 298 C4' DG B 4 18.678 2.068 6.655 1.00 0.00 C ATOM 299 O4' DG B 4 17.280 2.475 6.602 1.00 0.00 O ATOM 300 C3' DG B 4 18.734 0.770 7.507 1.00 0.00 C ATOM 301 O3' DG B 4 19.481 0.940 8.732 1.00 0.00 O ATOM 302 C2' DG B 4 17.267 0.569 7.864 1.00 0.00 C ATOM 303 C1' DG B 4 16.717 1.983 7.817 1.00 0.00 C ATOM 304 N9 DG B 4 15.229 2.000 7.854 1.00 0.00 N ATOM 305 C8 DG B 4 14.273 1.408 7.047 1.00 0.00 C ATOM 306 N7 DG B 4 12.926 1.542 7.309 1.00 0.00 N ATOM 307 C5 DG B 4 13.053 2.365 8.419 1.00 0.00 C ATOM 308 C6 DG B 4 11.925 2.975 9.295 1.00 0.00 C ATOM 309 O6 DG B 4 10.735 2.794 9.072 1.00 0.00 O ATOM 310 N1 DG B 4 12.332 3.717 10.357 1.00 0.00 N ATOM 311 C2 DG B 4 13.736 3.891 10.680 1.00 0.00 C ATOM 312 N2 DG B 4 14.107 4.521 11.824 1.00 0.00 N ATOM 313 N3 DG B 4 14.667 3.412 9.947 1.00 0.00 N ATOM 314 C4 DG B 4 14.412 2.636 8.768 1.00 0.00 C ATOM 0 H5' DG B 4 19.583 2.940 4.897 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.240 1.374 5.332 1.00 0.00 H new ATOM 0 H4' DG B 4 19.293 2.832 7.131 1.00 0.00 H new ATOM 0 H3' DG B 4 19.215 -0.050 6.974 1.00 0.00 H new ATOM 0 H2' DG B 4 16.763 -0.086 7.153 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.148 0.120 8.850 1.00 0.00 H new ATOM 0 H1' DG B 4 16.978 2.603 8.675 1.00 0.00 H new ATOM 0 H8 DG B 4 14.589 0.828 6.193 1.00 0.00 H new ATOM 0 H1 DG B 4 11.630 4.165 10.945 1.00 0.00 H new ATOM 0 H21 DG B 4 15.096 4.639 12.043 1.00 0.00 H new ATOM 0 H22 DG B 4 13.397 4.876 12.464 1.00 0.00 H new ATOM 326 P DG B 5 19.951 -0.296 9.666 1.00 0.00 P ATOM 327 OP1 DG B 5 21.354 -0.759 9.259 1.00 0.00 O ATOM 328 OP2 DG B 5 18.990 -1.502 9.510 1.00 0.00 O ATOM 329 O5' DG B 5 19.984 0.145 11.225 1.00 0.00 O ATOM 330 C5' DG B 5 20.193 1.494 11.746 1.00 0.00 C ATOM 331 C4' DG B 5 19.360 1.717 13.038 1.00 0.00 C ATOM 332 O4' DG B 5 17.985 1.947 12.639 1.00 0.00 O ATOM 333 C3' DG B 5 19.360 0.502 14.020 1.00 0.00 C ATOM 334 O3' DG B 5 19.453 0.881 15.426 1.00 0.00 O ATOM 335 C2' DG B 5 17.994 -0.111 13.700 1.00 0.00 C ATOM 336 C1' DG B 5 17.159 1.142 13.470 1.00 0.00 C ATOM 337 N9 DG B 5 15.829 0.874 12.857 1.00 0.00 N ATOM 338 C8 DG B 5 15.431 0.150 11.740 1.00 0.00 C ATOM 339 N7 DG B 5 14.094 -0.005 11.420 1.00 0.00 N ATOM 340 C5 DG B 5 13.591 0.803 12.437 1.00 0.00 C ATOM 341 C6 DG B 5 12.108 1.159 12.736 1.00 0.00 C ATOM 342 O6 DG B 5 11.169 0.686 12.105 1.00 0.00 O ATOM 343 N1 DG B 5 11.898 2.008 13.780 1.00 0.00 N ATOM 344 C2 DG B 5 12.989 2.510 14.598 1.00 0.00 C ATOM 345 N2 DG B 5 12.738 3.305 15.679 1.00 0.00 N ATOM 346 N3 DG B 5 14.207 2.201 14.367 1.00 0.00 N ATOM 347 C4 DG B 5 14.606 1.346 13.284 1.00 0.00 C ATOM 0 H5' DG B 5 19.909 2.229 10.993 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.251 1.648 11.958 1.00 0.00 H new ATOM 0 H4' DG B 5 19.814 2.557 13.565 1.00 0.00 H new ATOM 0 H3' DG B 5 20.218 -0.158 13.890 1.00 0.00 H new ATOM 0 H2' DG B 5 18.026 -0.752 12.819 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.611 -0.716 14.522 1.00 0.00 H new ATOM 0 H1' DG B 5 16.897 1.627 14.410 1.00 0.00 H new ATOM 0 H8 DG B 5 16.181 -0.301 11.108 1.00 0.00 H new ATOM 0 H1 DG B 5 10.945 2.301 13.994 1.00 0.00 H new ATOM 0 H21 DG B 5 13.511 3.652 16.247 1.00 0.00 H new ATOM 0 H22 DG B 5 11.778 3.552 15.919 1.00 0.00 H new ATOM 359 P DT B 6 19.360 -0.183 16.662 1.00 0.00 P ATOM 360 OP1 DT B 6 20.277 0.257 17.814 1.00 0.00 O ATOM 361 OP2 DT B 6 19.822 -1.579 16.227 1.00 0.00 O ATOM 362 O5' DT B 6 17.837 -0.280 17.226 1.00 0.00 O ATOM 363 C5' DT B 6 17.140 0.882 17.739 1.00 0.00 C ATOM 364 C4' DT B 6 15.639 0.636 18.008 1.00 0.00 C ATOM 365 O4' DT B 6 14.925 0.315 16.804 1.00 0.00 O ATOM 366 C3' DT B 6 15.280 -0.519 18.957 1.00 0.00 C ATOM 367 O3' DT B 6 15.236 -0.108 20.320 1.00 0.00 O ATOM 368 C2' DT B 6 13.896 -0.969 18.471 1.00 0.00 C ATOM 369 C1' DT B 6 13.621 -0.119 17.218 1.00 0.00 C ATOM 370 N1 DT B 6 12.879 -0.853 16.153 1.00 0.00 N ATOM 371 C2 DT B 6 11.509 -0.694 16.038 1.00 0.00 C ATOM 372 O2 DT B 6 10.859 -0.018 16.833 1.00 0.00 O ATOM 373 N3 DT B 6 10.815 -1.302 15.051 1.00 0.00 N ATOM 374 C4 DT B 6 11.367 -2.114 14.118 1.00 0.00 C ATOM 375 O4 DT B 6 10.646 -2.666 13.289 1.00 0.00 O ATOM 376 C5 DT B 6 12.914 -2.335 14.185 1.00 0.00 C ATOM 377 C7 DT B 6 13.603 -3.248 13.188 1.00 0.00 C ATOM 378 C6 DT B 6 13.602 -1.705 15.171 1.00 0.00 C ATOM 0 H5' DT B 6 17.243 1.701 17.027 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.618 1.203 18.664 1.00 0.00 H new ATOM 0 H4' DT B 6 15.359 1.584 18.467 1.00 0.00 H new ATOM 0 H3' DT B 6 16.025 -1.314 18.933 1.00 0.00 H new ATOM 0 H2' DT B 6 13.886 -2.033 18.236 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.136 -0.804 19.235 1.00 0.00 H new ATOM 0 HO3' DT B 6 15.003 -0.874 20.885 1.00 0.00 H new ATOM 0 H1' DT B 6 12.956 0.718 17.431 1.00 0.00 H new ATOM 0 H3 DT B 6 9.809 -1.139 15.005 1.00 0.00 H new ATOM 0 H71 DT B 6 14.622 -2.900 13.020 1.00 0.00 H new ATOM 0 H72 DT B 6 13.627 -4.264 13.581 1.00 0.00 H new ATOM 0 H73 DT B 6 13.056 -3.237 12.245 1.00 0.00 H new ATOM 0 H6 DT B 6 14.673 -1.822 15.243 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 20.122 7.070 -1.187 1.00 0.00 O ATOM 394 C5' DT E 1 19.449 6.955 0.068 1.00 0.00 C ATOM 395 C4' DT E 1 19.475 8.279 0.850 1.00 0.00 C ATOM 396 O4' DT E 1 18.753 9.330 0.154 1.00 0.00 O ATOM 397 C3' DT E 1 18.818 8.168 2.227 1.00 0.00 C ATOM 398 O3' DT E 1 19.740 7.780 3.251 1.00 0.00 O ATOM 399 C2' DT E 1 18.401 9.599 2.476 1.00 0.00 C ATOM 400 C1' DT E 1 17.969 10.108 1.100 1.00 0.00 C ATOM 401 N1 DT E 1 16.494 10.035 0.854 1.00 0.00 N ATOM 402 C2 DT E 1 15.630 10.793 1.634 1.00 0.00 C ATOM 403 O2 DT E 1 16.032 11.593 2.475 1.00 0.00 O ATOM 404 N3 DT E 1 14.289 10.710 1.463 1.00 0.00 N ATOM 405 C4 DT E 1 13.686 9.971 0.514 1.00 0.00 C ATOM 406 O4 DT E 1 12.467 10.064 0.396 1.00 0.00 O ATOM 407 C5 DT E 1 14.591 9.119 -0.429 1.00 0.00 C ATOM 408 C7 DT E 1 13.988 8.263 -1.524 1.00 0.00 C ATOM 409 C6 DT E 1 15.932 9.148 -0.203 1.00 0.00 C ATOM 0 H5' DT E 1 19.919 6.172 0.663 1.00 0.00 H new ATOM 0 H5'' DT E 1 18.416 6.651 -0.100 1.00 0.00 H new ATOM 0 H4' DT E 1 20.535 8.515 0.948 1.00 0.00 H new ATOM 0 H3' DT E 1 18.023 7.422 2.247 1.00 0.00 H new ATOM 0 H2' DT E 1 17.585 9.657 3.196 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.224 10.189 2.879 1.00 0.00 H new ATOM 0 HO5' DT E 1 20.088 6.211 -1.657 1.00 0.00 H new ATOM 0 H1' DT E 1 18.160 11.177 1.001 1.00 0.00 H new ATOM 0 H3 DT E 1 13.695 11.244 2.097 1.00 0.00 H new ATOM 0 H71 DT E 1 14.690 8.188 -2.355 1.00 0.00 H new ATOM 0 H72 DT E 1 13.779 7.267 -1.134 1.00 0.00 H new ATOM 0 H73 DT E 1 13.061 8.718 -1.872 1.00 0.00 H new ATOM 0 H6 DT E 1 16.591 8.527 -0.791 1.00 0.00 H new ATOM 423 P DG E 2 19.231 7.030 4.599 1.00 0.00 P ATOM 424 OP1 DG E 2 19.858 5.644 4.588 1.00 0.00 O ATOM 425 OP2 DG E 2 17.706 6.987 4.581 1.00 0.00 O ATOM 426 O5' DG E 2 19.737 7.886 5.883 1.00 0.00 O ATOM 427 C5' DG E 2 19.686 9.327 5.977 1.00 0.00 C ATOM 428 C4' DG E 2 18.813 9.899 7.125 1.00 0.00 C ATOM 429 O4' DG E 2 17.746 10.752 6.630 1.00 0.00 O ATOM 430 C3' DG E 2 18.185 8.902 8.104 1.00 0.00 C ATOM 431 O3' DG E 2 19.080 8.694 9.207 1.00 0.00 O ATOM 432 C2' DG E 2 16.944 9.637 8.583 1.00 0.00 C ATOM 433 C1' DG E 2 16.562 10.585 7.447 1.00 0.00 C ATOM 434 N9 DG E 2 15.410 10.084 6.640 1.00 0.00 N ATOM 435 C8 DG E 2 15.399 9.213 5.554 1.00 0.00 C ATOM 436 N7 DG E 2 14.225 8.780 4.988 1.00 0.00 N ATOM 437 C5 DG E 2 13.364 9.404 5.866 1.00 0.00 C ATOM 438 C6 DG E 2 11.816 9.416 5.811 1.00 0.00 C ATOM 439 O6 DG E 2 11.165 8.794 4.981 1.00 0.00 O ATOM 440 N1 DG E 2 11.199 10.216 6.714 1.00 0.00 N ATOM 441 C2 DG E 2 11.931 11.035 7.653 1.00 0.00 C ATOM 442 N2 DG E 2 11.242 11.883 8.467 1.00 0.00 N ATOM 443 N3 DG E 2 13.221 11.041 7.704 1.00 0.00 N ATOM 444 C4 DG E 2 14.034 10.214 6.841 1.00 0.00 C ATOM 0 H5' DG E 2 19.313 9.721 5.032 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.703 9.700 6.099 1.00 0.00 H new ATOM 0 H4' DG E 2 19.560 10.454 7.692 1.00 0.00 H new ATOM 0 H3' DG E 2 17.971 7.927 7.666 1.00 0.00 H new ATOM 0 H2' DG E 2 16.135 8.940 8.800 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.145 10.188 9.502 1.00 0.00 H new ATOM 0 H1' DG E 2 16.226 11.538 7.856 1.00 0.00 H new ATOM 0 H8 DG E 2 16.338 8.869 5.146 1.00 0.00 H new ATOM 0 H1 DG E 2 10.179 10.241 6.732 1.00 0.00 H new ATOM 0 H21 DG E 2 11.743 12.468 9.135 1.00 0.00 H new ATOM 0 H22 DG E 2 10.225 11.933 8.408 1.00 0.00 H new ATOM 456 P DG E 3 18.999 7.378 10.152 1.00 0.00 P ATOM 457 OP1 DG E 3 20.436 6.928 10.424 1.00 0.00 O ATOM 458 OP2 DG E 3 18.154 6.297 9.503 1.00 0.00 O ATOM 459 O5' DG E 3 18.324 7.790 11.547 1.00 0.00 O ATOM 460 C5' DG E 3 18.365 9.086 12.162 1.00 0.00 C ATOM 461 C4' DG E 3 17.041 9.340 12.915 1.00 0.00 C ATOM 462 O4' DG E 3 15.978 9.526 11.946 1.00 0.00 O ATOM 463 C3' DG E 3 16.631 8.174 13.837 1.00 0.00 C ATOM 464 O3' DG E 3 16.056 8.649 15.067 1.00 0.00 O ATOM 465 C2' DG E 3 15.556 7.496 13.005 1.00 0.00 C ATOM 466 C1' DG E 3 14.877 8.680 12.315 1.00 0.00 C ATOM 467 N9 DG E 3 14.069 8.281 11.126 1.00 0.00 N ATOM 468 C8 DG E 3 14.373 7.400 10.092 1.00 0.00 C ATOM 469 N7 DG E 3 13.423 6.988 9.195 1.00 0.00 N ATOM 470 C5 DG E 3 12.361 7.669 9.743 1.00 0.00 C ATOM 471 C6 DG E 3 10.885 7.591 9.301 1.00 0.00 C ATOM 472 O6 DG E 3 10.511 6.904 8.360 1.00 0.00 O ATOM 473 N1 DG E 3 10.015 8.351 10.010 1.00 0.00 N ATOM 474 C2 DG E 3 10.435 9.184 11.118 1.00 0.00 C ATOM 475 N2 DG E 3 9.505 9.939 11.777 1.00 0.00 N ATOM 476 N3 DG E 3 11.660 9.241 11.505 1.00 0.00 N ATOM 477 C4 DG E 3 12.713 8.477 10.871 1.00 0.00 C ATOM 0 H5' DG E 3 18.519 9.855 11.405 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.206 9.146 12.853 1.00 0.00 H new ATOM 0 H4' DG E 3 17.198 10.222 13.536 1.00 0.00 H new ATOM 0 H3' DG E 3 17.468 7.538 14.126 1.00 0.00 H new ATOM 0 H2' DG E 3 15.981 6.796 12.286 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.858 6.932 13.624 1.00 0.00 H new ATOM 0 H1' DG E 3 14.154 9.170 12.967 1.00 0.00 H new ATOM 0 H8 DG E 3 15.384 7.032 9.994 1.00 0.00 H new ATOM 0 H1 DG E 3 9.028 8.336 9.754 1.00 0.00 H new ATOM 0 H21 DG E 3 9.789 10.530 12.559 1.00 0.00 H new ATOM 0 H22 DG E 3 8.528 9.912 11.487 1.00 0.00 H new ATOM 489 P DG E 4 16.192 7.785 16.424 1.00 0.00 P ATOM 490 OP1 DG E 4 17.510 8.178 17.107 1.00 0.00 O ATOM 491 OP2 DG E 4 16.186 6.292 16.118 1.00 0.00 O ATOM 492 O5' DG E 4 14.973 8.104 17.417 1.00 0.00 O ATOM 493 C5' DG E 4 14.424 9.407 17.691 1.00 0.00 C ATOM 494 C4' DG E 4 12.895 9.306 17.907 1.00 0.00 C ATOM 495 O4' DG E 4 12.253 9.168 16.616 1.00 0.00 O ATOM 496 C3' DG E 4 12.464 8.098 18.775 1.00 0.00 C ATOM 497 O3' DG E 4 11.420 8.433 19.712 1.00 0.00 O ATOM 498 C2' DG E 4 11.925 7.140 17.724 1.00 0.00 C ATOM 499 C1' DG E 4 11.333 8.074 16.668 1.00 0.00 C ATOM 500 N9 DG E 4 11.208 7.422 15.334 1.00 0.00 N ATOM 501 C8 DG E 4 12.175 6.800 14.557 1.00 0.00 C ATOM 502 N7 DG E 4 11.849 6.082 13.431 1.00 0.00 N ATOM 503 C5 DG E 4 10.488 6.307 13.478 1.00 0.00 C ATOM 504 C6 DG E 4 9.411 5.755 12.513 1.00 0.00 C ATOM 505 O6 DG E 4 9.673 5.027 11.564 1.00 0.00 O ATOM 506 N1 DG E 4 8.133 6.119 12.784 1.00 0.00 N ATOM 507 C2 DG E 4 7.788 6.952 13.919 1.00 0.00 C ATOM 508 N2 DG E 4 6.483 7.236 14.170 1.00 0.00 N ATOM 509 N3 DG E 4 8.674 7.410 14.729 1.00 0.00 N ATOM 510 C4 DG E 4 10.079 7.120 14.585 1.00 0.00 C ATOM 0 H5' DG E 4 14.638 10.082 16.862 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.897 9.830 18.577 1.00 0.00 H new ATOM 0 H4' DG E 4 12.597 10.213 18.434 1.00 0.00 H new ATOM 0 H3' DG E 4 13.278 7.709 19.387 1.00 0.00 H new ATOM 0 H2' DG E 4 12.714 6.512 17.309 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.170 6.471 18.138 1.00 0.00 H new ATOM 0 H1' DG E 4 10.319 8.378 16.926 1.00 0.00 H new ATOM 0 H8 DG E 4 13.213 6.882 14.845 1.00 0.00 H new ATOM 0 H1 DG E 4 7.388 5.795 12.167 1.00 0.00 H new ATOM 0 H21 DG E 4 6.233 7.821 14.967 1.00 0.00 H new ATOM 0 H22 DG E 4 5.754 6.864 13.562 1.00 0.00 H new ATOM 522 P DG E 5 11.096 7.515 21.013 1.00 0.00 P ATOM 523 OP1 DG E 5 11.460 8.299 22.282 1.00 0.00 O ATOM 524 OP2 DG E 5 11.913 6.222 21.005 1.00 0.00 O ATOM 525 O5' DG E 5 9.531 7.121 21.055 1.00 0.00 O ATOM 526 C5' DG E 5 8.436 7.985 20.670 1.00 0.00 C ATOM 527 C4' DG E 5 7.280 7.170 20.043 1.00 0.00 C ATOM 528 O4' DG E 5 7.616 6.832 18.662 1.00 0.00 O ATOM 529 C3' DG E 5 6.943 5.843 20.777 1.00 0.00 C ATOM 530 O3' DG E 5 5.523 5.547 20.784 1.00 0.00 O ATOM 531 C2' DG E 5 7.589 4.836 19.824 1.00 0.00 C ATOM 532 C1' DG E 5 7.242 5.465 18.477 1.00 0.00 C ATOM 533 N9 DG E 5 7.882 4.801 17.305 1.00 0.00 N ATOM 534 C8 DG E 5 9.199 4.469 17.016 1.00 0.00 C ATOM 535 N7 DG E 5 9.527 3.703 15.918 1.00 0.00 N ATOM 536 C5 DG E 5 8.244 3.556 15.422 1.00 0.00 C ATOM 537 C6 DG E 5 7.789 2.758 14.170 1.00 0.00 C ATOM 538 O6 DG E 5 8.559 2.118 13.464 1.00 0.00 O ATOM 539 N1 DG E 5 6.457 2.782 13.905 1.00 0.00 N ATOM 540 C2 DG E 5 5.515 3.494 14.743 1.00 0.00 C ATOM 541 N2 DG E 5 4.186 3.496 14.441 1.00 0.00 N ATOM 542 N3 DG E 5 5.877 4.118 15.803 1.00 0.00 N ATOM 543 C4 DG E 5 7.254 4.213 16.218 1.00 0.00 C ATOM 0 H5' DG E 5 8.789 8.730 19.957 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.072 8.527 21.543 1.00 0.00 H new ATOM 0 H4' DG E 5 6.404 7.814 20.121 1.00 0.00 H new ATOM 0 H3' DG E 5 7.267 5.851 21.818 1.00 0.00 H new ATOM 0 H2' DG E 5 8.665 4.752 19.977 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.172 3.835 19.934 1.00 0.00 H new ATOM 0 H1' DG E 5 6.189 5.351 18.218 1.00 0.00 H new ATOM 0 H8 DG E 5 9.986 4.820 17.668 1.00 0.00 H new ATOM 0 H1 DG E 5 6.108 2.281 13.088 1.00 0.00 H new ATOM 0 H21 DG E 5 3.529 4.000 15.036 1.00 0.00 H new ATOM 0 H22 DG E 5 3.849 2.994 13.620 1.00 0.00 H new ATOM 555 P DT E 6 4.478 5.865 21.968 1.00 0.00 P ATOM 556 OP1 DT E 6 4.186 7.363 22.086 1.00 0.00 O ATOM 557 OP2 DT E 6 5.009 5.369 23.320 1.00 0.00 O ATOM 558 O5' DT E 6 3.079 5.087 21.669 1.00 0.00 O ATOM 559 C5' DT E 6 2.898 3.676 21.935 1.00 0.00 C ATOM 560 C4' DT E 6 2.542 2.882 20.664 1.00 0.00 C ATOM 561 O4' DT E 6 3.657 2.804 19.753 1.00 0.00 O ATOM 562 C3' DT E 6 2.138 1.413 20.932 1.00 0.00 C ATOM 563 O3' DT E 6 0.745 1.216 20.718 1.00 0.00 O ATOM 564 C2' DT E 6 2.929 0.605 19.900 1.00 0.00 C ATOM 565 C1' DT E 6 3.444 1.657 18.916 1.00 0.00 C ATOM 566 N1 DT E 6 4.662 1.215 18.181 1.00 0.00 N ATOM 567 C2 DT E 6 4.531 0.616 16.937 1.00 0.00 C ATOM 568 O2 DT E 6 3.435 0.435 16.418 1.00 0.00 O ATOM 569 N3 DT E 6 5.618 0.174 16.260 1.00 0.00 N ATOM 570 C4 DT E 6 6.887 0.264 16.717 1.00 0.00 C ATOM 571 O4 DT E 6 7.799 -0.233 16.058 1.00 0.00 O ATOM 572 C5 DT E 6 7.112 0.961 18.097 1.00 0.00 C ATOM 573 C7 DT E 6 8.511 1.122 18.662 1.00 0.00 C ATOM 574 C6 DT E 6 6.013 1.402 18.765 1.00 0.00 C ATOM 0 H5' DT E 6 2.108 3.547 22.675 1.00 0.00 H new ATOM 0 H5'' DT E 6 3.811 3.271 22.370 1.00 0.00 H new ATOM 0 H4' DT E 6 1.700 3.435 20.249 1.00 0.00 H new ATOM 0 H3' DT E 6 2.345 1.121 21.961 1.00 0.00 H new ATOM 0 H2' DT E 6 3.750 0.059 20.365 1.00 0.00 H new ATOM 0 H2'' DT E 6 2.298 -0.131 19.402 1.00 0.00 H new ATOM 0 HO3' DT E 6 0.516 0.279 20.893 1.00 0.00 H new ATOM 0 H1' DT E 6 2.747 1.863 18.104 1.00 0.00 H new ATOM 0 H3 DT E 6 5.469 -0.254 15.346 1.00 0.00 H new ATOM 0 H71 DT E 6 8.553 2.020 19.278 1.00 0.00 H new ATOM 0 H72 DT E 6 8.760 0.252 19.270 1.00 0.00 H new ATOM 0 H73 DT E 6 9.226 1.209 17.844 1.00 0.00 H new ATOM 0 H6 DT E 6 6.124 1.889 19.722 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.431 15.138 4.705 1.00 0.00 O ATOM 590 C5' DT F 1 -0.134 13.745 4.810 1.00 0.00 C ATOM 591 C4' DT F 1 -0.207 13.037 3.445 1.00 0.00 C ATOM 592 O4' DT F 1 0.745 13.588 2.498 1.00 0.00 O ATOM 593 C3' DT F 1 0.110 11.542 3.545 1.00 0.00 C ATOM 594 O3' DT F 1 -1.074 10.759 3.729 1.00 0.00 O ATOM 595 C2' DT F 1 0.695 11.255 2.180 1.00 0.00 C ATOM 596 C1' DT F 1 1.496 12.521 1.859 1.00 0.00 C ATOM 597 N1 DT F 1 2.939 12.501 2.270 1.00 0.00 N ATOM 598 C2 DT F 1 3.805 11.566 1.715 1.00 0.00 C ATOM 599 O2 DT F 1 3.443 10.756 0.868 1.00 0.00 O ATOM 600 N3 DT F 1 5.117 11.550 2.058 1.00 0.00 N ATOM 601 C4 DT F 1 5.702 12.443 2.879 1.00 0.00 C ATOM 602 O4 DT F 1 6.916 12.379 3.048 1.00 0.00 O ATOM 603 C5 DT F 1 4.806 13.554 3.504 1.00 0.00 C ATOM 604 C7 DT F 1 5.402 14.618 4.402 1.00 0.00 C ATOM 605 C6 DT F 1 3.477 13.519 3.217 1.00 0.00 C ATOM 0 H5' DT F 1 -0.835 13.276 5.500 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.863 13.617 5.232 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.232 13.191 3.108 1.00 0.00 H new ATOM 0 H3' DT F 1 0.759 11.302 4.387 1.00 0.00 H new ATOM 0 H2' DT F 1 1.332 10.370 2.194 1.00 0.00 H new ATOM 0 H2'' DT F 1 -0.084 11.075 1.439 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.376 15.552 5.592 1.00 0.00 H new ATOM 0 H1' DT F 1 1.587 12.644 0.780 1.00 0.00 H new ATOM 0 H3 DT F 1 5.701 10.811 1.667 1.00 0.00 H new ATOM 0 H71 DT F 1 4.825 15.538 4.309 1.00 0.00 H new ATOM 0 H72 DT F 1 5.377 14.277 5.437 1.00 0.00 H new ATOM 0 H73 DT F 1 6.434 14.806 4.107 1.00 0.00 H new ATOM 0 H6 DT F 1 2.809 14.232 3.677 1.00 0.00 H new ATOM 619 P DG F 2 -1.082 9.415 4.638 1.00 0.00 P ATOM 620 OP1 DG F 2 -2.169 9.601 5.691 1.00 0.00 O ATOM 621 OP2 DG F 2 0.293 9.223 5.265 1.00 0.00 O ATOM 622 O5' DG F 2 -1.437 8.138 3.713 1.00 0.00 O ATOM 623 C5' DG F 2 -1.414 8.108 2.272 1.00 0.00 C ATOM 624 C4' DG F 2 -0.491 7.020 1.676 1.00 0.00 C ATOM 625 O4' DG F 2 0.781 7.555 1.251 1.00 0.00 O ATOM 626 C3' DG F 2 -0.227 5.771 2.530 1.00 0.00 C ATOM 627 O3' DG F 2 -1.250 4.800 2.212 1.00 0.00 O ATOM 628 C2' DG F 2 1.168 5.343 2.079 1.00 0.00 C ATOM 629 C1' DG F 2 1.813 6.560 1.416 1.00 0.00 C ATOM 630 N9 DG F 2 2.951 7.109 2.203 1.00 0.00 N ATOM 631 C8 DG F 2 2.955 8.075 3.202 1.00 0.00 C ATOM 632 N7 DG F 2 4.126 8.509 3.771 1.00 0.00 N ATOM 633 C5 DG F 2 4.981 7.666 3.094 1.00 0.00 C ATOM 634 C6 DG F 2 6.529 7.644 3.163 1.00 0.00 C ATOM 635 O6 DG F 2 7.183 8.403 3.863 1.00 0.00 O ATOM 636 N1 DG F 2 7.146 6.761 2.343 1.00 0.00 N ATOM 637 C2 DG F 2 6.415 5.906 1.439 1.00 0.00 C ATOM 638 N2 DG F 2 7.105 5.048 0.639 1.00 0.00 N ATOM 639 N3 DG F 2 5.131 5.955 1.329 1.00 0.00 N ATOM 640 C4 DG F 2 4.315 6.816 2.156 1.00 0.00 C ATOM 0 H5' DG F 2 -1.093 9.083 1.904 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.428 7.948 1.907 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.087 6.679 0.830 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.261 5.911 3.610 1.00 0.00 H new ATOM 0 H2' DG F 2 1.762 5.006 2.928 1.00 0.00 H new ATOM 0 H2'' DG F 2 1.109 4.509 1.380 1.00 0.00 H new ATOM 0 H1' DG F 2 2.235 6.263 0.456 1.00 0.00 H new ATOM 0 H8 DG F 2 2.017 8.493 3.537 1.00 0.00 H new ATOM 0 H1 DG F 2 8.164 6.698 2.365 1.00 0.00 H new ATOM 0 H21 DG F 2 6.604 4.437 -0.006 1.00 0.00 H new ATOM 0 H22 DG F 2 8.124 5.016 0.684 1.00 0.00 H new ATOM 652 P DG F 3 -1.180 3.236 2.604 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.609 2.691 2.618 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.470 3.048 3.932 1.00 0.00 O ATOM 655 O5' DG F 3 -0.399 2.497 1.384 1.00 0.00 O ATOM 656 C5' DG F 3 -0.138 1.074 1.330 1.00 0.00 C ATOM 657 C4' DG F 3 1.163 0.623 2.037 1.00 0.00 C ATOM 658 O4' DG F 3 2.169 1.652 2.128 1.00 0.00 O ATOM 659 C3' DG F 3 0.950 0.115 3.468 1.00 0.00 C ATOM 660 O3' DG F 3 0.564 -1.284 3.484 1.00 0.00 O ATOM 661 C2' DG F 3 2.252 0.483 4.184 1.00 0.00 C ATOM 662 C1' DG F 3 3.112 1.190 3.116 1.00 0.00 C ATOM 663 N9 DG F 3 3.924 2.322 3.662 1.00 0.00 N ATOM 664 C8 DG F 3 3.562 3.328 4.552 1.00 0.00 C ATOM 665 N7 DG F 3 4.498 4.138 5.147 1.00 0.00 N ATOM 666 C5 DG F 3 5.610 3.586 4.547 1.00 0.00 C ATOM 667 C6 DG F 3 7.088 3.989 4.768 1.00 0.00 C ATOM 668 O6 DG F 3 7.433 4.871 5.544 1.00 0.00 O ATOM 669 N1 DG F 3 8.002 3.320 4.023 1.00 0.00 N ATOM 670 C2 DG F 3 7.625 2.300 3.066 1.00 0.00 C ATOM 671 N2 DG F 3 8.594 1.693 2.317 1.00 0.00 N ATOM 672 N3 DG F 3 6.402 1.947 2.887 1.00 0.00 N ATOM 673 C4 DG F 3 5.302 2.537 3.620 1.00 0.00 C ATOM 0 H5' DG F 3 -0.092 0.767 0.285 1.00 0.00 H new ATOM 0 H5'' DG F 3 -0.980 0.548 1.780 1.00 0.00 H new ATOM 0 H4' DG F 3 1.501 -0.186 1.389 1.00 0.00 H new ATOM 0 H3' DG F 3 0.111 0.570 3.995 1.00 0.00 H new ATOM 0 H2' DG F 3 2.063 1.138 5.035 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.754 -0.404 4.570 1.00 0.00 H new ATOM 0 H1' DG F 3 3.853 0.505 2.704 1.00 0.00 H new ATOM 0 H8 DG F 3 2.517 3.476 4.781 1.00 0.00 H new ATOM 0 H1 DG F 3 8.990 3.543 4.141 1.00 0.00 H new ATOM 0 H21 DG F 3 8.340 0.974 1.640 1.00 0.00 H new ATOM 0 H22 DG F 3 9.571 1.960 2.435 1.00 0.00 H new ATOM 685 P DG F 4 1.532 -2.578 3.397 1.00 0.00 P ATOM 686 OP1 DG F 4 0.673 -3.788 3.003 1.00 0.00 O ATOM 687 OP2 DG F 4 2.205 -2.808 4.745 1.00 0.00 O ATOM 688 O5' DG F 4 2.643 -2.353 2.236 1.00 0.00 O ATOM 689 C5' DG F 4 3.475 -3.410 1.705 1.00 0.00 C ATOM 690 C4' DG F 4 4.873 -3.510 2.357 1.00 0.00 C ATOM 691 O4' DG F 4 5.427 -2.225 2.722 1.00 0.00 O ATOM 692 C3' DG F 4 4.921 -4.392 3.611 1.00 0.00 C ATOM 693 O3' DG F 4 5.176 -5.770 3.258 1.00 0.00 O ATOM 694 C2' DG F 4 6.052 -3.762 4.417 1.00 0.00 C ATOM 695 C1' DG F 4 6.458 -2.471 3.692 1.00 0.00 C ATOM 696 N9 DG F 4 6.602 -1.331 4.644 1.00 0.00 N ATOM 697 C8 DG F 4 5.634 -0.709 5.422 1.00 0.00 C ATOM 698 N7 DG F 4 5.958 0.232 6.371 1.00 0.00 N ATOM 699 C5 DG F 4 7.325 0.193 6.182 1.00 0.00 C ATOM 700 C6 DG F 4 8.403 0.981 6.966 1.00 0.00 C ATOM 701 O6 DG F 4 8.134 1.782 7.853 1.00 0.00 O ATOM 702 N1 DG F 4 9.689 0.729 6.617 1.00 0.00 N ATOM 703 C2 DG F 4 10.039 -0.221 5.581 1.00 0.00 C ATOM 704 N2 DG F 4 11.352 -0.439 5.279 1.00 0.00 N ATOM 705 N3 DG F 4 9.156 -0.884 4.927 1.00 0.00 N ATOM 706 C4 DG F 4 7.740 -0.733 5.168 1.00 0.00 C ATOM 0 H5' DG F 4 3.598 -3.256 0.633 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.959 -4.361 1.833 1.00 0.00 H new ATOM 0 H4' DG F 4 5.469 -3.970 1.569 1.00 0.00 H new ATOM 0 H3' DG F 4 3.987 -4.428 4.172 1.00 0.00 H new ATOM 0 H2' DG F 4 5.726 -3.546 5.434 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.899 -4.445 4.491 1.00 0.00 H new ATOM 0 H1' DG F 4 7.432 -2.575 3.214 1.00 0.00 H new ATOM 0 H8 DG F 4 4.597 -0.972 5.277 1.00 0.00 H new ATOM 0 H1 DG F 4 10.436 1.226 7.101 1.00 0.00 H new ATOM 0 H21 DG F 4 11.604 -1.107 4.550 1.00 0.00 H new ATOM 0 H22 DG F 4 12.082 0.066 5.782 1.00 0.00 H new ATOM 718 P DG F 5 5.233 -6.995 4.325 1.00 0.00 P ATOM 719 OP1 DG F 5 4.621 -8.253 3.688 1.00 0.00 O ATOM 720 OP2 DG F 5 4.493 -6.680 5.621 1.00 0.00 O ATOM 721 O5' DG F 5 6.767 -7.313 4.696 1.00 0.00 O ATOM 722 C5' DG F 5 7.871 -7.230 3.768 1.00 0.00 C ATOM 723 C4' DG F 5 9.174 -6.898 4.524 1.00 0.00 C ATOM 724 O4' DG F 5 9.106 -5.523 5.005 1.00 0.00 O ATOM 725 C3' DG F 5 9.443 -7.809 5.751 1.00 0.00 C ATOM 726 O3' DG F 5 10.853 -8.086 5.923 1.00 0.00 O ATOM 727 C2' DG F 5 9.014 -6.891 6.895 1.00 0.00 C ATOM 728 C1' DG F 5 9.480 -5.531 6.384 1.00 0.00 C ATOM 729 N9 DG F 5 8.955 -4.376 7.165 1.00 0.00 N ATOM 730 C8 DG F 5 7.655 -3.994 7.470 1.00 0.00 C ATOM 731 N7 DG F 5 7.396 -2.978 8.361 1.00 0.00 N ATOM 732 C5 DG F 5 8.707 -2.663 8.657 1.00 0.00 C ATOM 733 C6 DG F 5 9.219 -1.697 9.759 1.00 0.00 C ATOM 734 O6 DG F 5 8.479 -1.050 10.489 1.00 0.00 O ATOM 735 N1 DG F 5 10.563 -1.645 9.926 1.00 0.00 N ATOM 736 C2 DG F 5 11.468 -2.463 9.153 1.00 0.00 C ATOM 737 N2 DG F 5 12.813 -2.383 9.372 1.00 0.00 N ATOM 738 N3 DG F 5 11.058 -3.300 8.267 1.00 0.00 N ATOM 739 C4 DG F 5 9.656 -3.473 7.956 1.00 0.00 C ATOM 0 H5' DG F 5 7.670 -6.464 3.019 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.981 -8.175 3.236 1.00 0.00 H new ATOM 0 H4' DG F 5 9.984 -7.057 3.812 1.00 0.00 H new ATOM 0 H3' DG F 5 8.940 -8.773 5.677 1.00 0.00 H new ATOM 0 H2' DG F 5 7.937 -6.920 7.062 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.490 -7.160 7.838 1.00 0.00 H new ATOM 0 H1' DG F 5 10.555 -5.402 6.508 1.00 0.00 H new ATOM 0 H8 DG F 5 6.829 -4.506 6.998 1.00 0.00 H new ATOM 0 H1 DG F 5 10.949 -1.006 10.622 1.00 0.00 H new ATOM 0 H21 DG F 5 13.454 -2.960 8.827 1.00 0.00 H new ATOM 0 H22 DG F 5 13.177 -1.746 10.081 1.00 0.00 H new ATOM 751 P DT F 6 11.602 -9.481 5.594 1.00 0.00 P ATOM 752 OP1 DT F 6 12.403 -9.396 4.294 1.00 0.00 O ATOM 753 OP2 DT F 6 10.607 -10.642 5.465 1.00 0.00 O ATOM 754 O5' DT F 6 12.624 -9.841 6.809 1.00 0.00 O ATOM 755 C5' DT F 6 12.180 -10.430 8.051 1.00 0.00 C ATOM 756 C4' DT F 6 12.408 -9.485 9.243 1.00 0.00 C ATOM 757 O4' DT F 6 11.522 -8.357 9.208 1.00 0.00 O ATOM 758 C3' DT F 6 12.103 -10.114 10.611 1.00 0.00 C ATOM 759 O3' DT F 6 13.207 -10.845 11.132 1.00 0.00 O ATOM 760 C2' DT F 6 11.793 -8.904 11.496 1.00 0.00 C ATOM 761 C1' DT F 6 11.558 -7.746 10.507 1.00 0.00 C ATOM 762 N1 DT F 6 10.329 -6.950 10.780 1.00 0.00 N ATOM 763 C2 DT F 6 10.439 -5.637 11.208 1.00 0.00 C ATOM 764 O2 DT F 6 11.527 -5.107 11.416 1.00 0.00 O ATOM 765 N3 DT F 6 9.338 -4.887 11.440 1.00 0.00 N ATOM 766 C4 DT F 6 8.069 -5.322 11.279 1.00 0.00 C ATOM 767 O4 DT F 6 7.140 -4.574 11.574 1.00 0.00 O ATOM 768 C5 DT F 6 7.866 -6.788 10.775 1.00 0.00 C ATOM 769 C7 DT F 6 6.469 -7.334 10.544 1.00 0.00 C ATOM 770 C6 DT F 6 8.979 -7.532 10.544 1.00 0.00 C ATOM 0 H5' DT F 6 12.713 -11.365 8.221 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.120 -10.676 7.979 1.00 0.00 H new ATOM 0 H4' DT F 6 13.462 -9.225 9.143 1.00 0.00 H new ATOM 0 H3' DT F 6 11.289 -10.837 10.554 1.00 0.00 H new ATOM 0 H2' DT F 6 10.913 -9.081 12.115 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.620 -8.686 12.172 1.00 0.00 H new ATOM 0 HO3' DT F 6 12.966 -11.225 12.003 1.00 0.00 H new ATOM 0 H1' DT F 6 12.357 -7.010 10.598 1.00 0.00 H new ATOM 0 H3 DT F 6 9.475 -3.928 11.758 1.00 0.00 H new ATOM 0 H71 DT F 6 5.772 -6.850 11.228 1.00 0.00 H new ATOM 0 H72 DT F 6 6.166 -7.135 9.516 1.00 0.00 H new ATOM 0 H73 DT F 6 6.465 -8.409 10.722 1.00 0.00 H new ATOM 0 H6 DT F 6 8.884 -8.547 10.189 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.776 14.282 6.964 1.00 0.00 C HETATM 786 O1 DMY A 7 16.299 15.390 6.812 1.00 0.00 O HETATM 787 N1 DMY A 7 14.848 13.944 7.990 1.00 0.00 N HETATM 788 C2 DMY A 7 14.332 14.771 9.005 1.00 0.00 C HETATM 789 C3 DMY A 7 13.489 14.330 9.999 1.00 0.00 C HETATM 790 C4 DMY A 7 13.359 15.373 10.921 1.00 0.00 C HETATM 791 N2 DMY A 7 14.056 16.516 10.470 1.00 0.00 N HETATM 792 C5 DMY A 7 14.646 16.098 9.278 1.00 0.00 C HETATM 793 C6 DMY A 7 14.015 17.890 11.034 1.00 0.00 C HETATM 794 C7 DMY A 7 12.672 15.305 12.303 1.00 0.00 C HETATM 795 O2 DMY A 7 13.154 16.008 13.205 1.00 0.00 O HETATM 796 N3 DMY A 7 11.486 14.508 12.465 1.00 0.00 N HETATM 797 C8 DMY A 7 10.565 14.621 13.538 1.00 0.00 C HETATM 798 C9 DMY A 7 9.470 13.802 13.754 1.00 0.00 C HETATM 799 C10 DMY A 7 8.647 14.442 14.711 1.00 0.00 C HETATM 800 N4 DMY A 7 9.198 15.703 15.048 1.00 0.00 N HETATM 801 C11 DMY A 7 10.382 15.750 14.322 1.00 0.00 C HETATM 802 C12 DMY A 7 8.585 16.849 15.764 1.00 0.00 C HETATM 803 C13 DMY A 7 7.313 13.914 15.302 1.00 0.00 C HETATM 804 O3 DMY A 7 6.759 14.580 16.188 1.00 0.00 O HETATM 805 N5 DMY A 7 6.797 12.660 14.824 1.00 0.00 N HETATM 806 C14 DMY A 7 5.581 12.040 15.201 1.00 0.00 C HETATM 807 C15 DMY A 7 5.199 10.770 14.840 1.00 0.00 C HETATM 808 C16 DMY A 7 3.907 10.547 15.351 1.00 0.00 C HETATM 809 N6 DMY A 7 3.452 11.711 16.039 1.00 0.00 N HETATM 810 C17 DMY A 7 4.527 12.596 15.919 1.00 0.00 C HETATM 811 C18 DMY A 7 2.146 12.021 16.672 1.00 0.00 C HETATM 812 C19 DMY A 7 3.130 9.221 15.124 1.00 0.00 C HETATM 813 O4 DMY A 7 3.652 8.277 14.529 1.00 0.00 O HETATM 814 N7 DMY A 7 1.879 9.117 15.588 1.00 0.00 N HETATM 815 C20 DMY A 7 1.011 7.976 15.247 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.152 7.847 16.250 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.163 6.747 15.904 1.00 0.00 C HETATM 818 N8 DMY A 7 -2.436 7.045 15.746 1.00 0.00 N HETATM 819 N9 DMY A 7 -0.810 5.476 15.872 1.00 0.00 N HETATM 0 HN92 DMY A 7 -1.499 4.761 15.639 1.00 0.00 H new HETATM 0 HN91 DMY A 7 0.152 5.209 16.080 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.258 7.649 17.241 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.676 8.801 16.306 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.615 8.104 14.240 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.597 7.057 15.244 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.358 11.975 15.921 1.00 0.00 H new HETATM 0 H182 DMY A 7 1.941 11.294 17.458 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.179 13.022 17.103 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.712 17.197 15.213 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.282 16.534 16.763 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.311 17.659 15.844 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -2.959 6.198 15.521 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.515 9.850 16.197 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.368 12.164 14.140 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.292 13.805 11.752 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.515 12.980 7.989 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.277 12.842 13.275 1.00 0.00 H new HETATM 0 H63 DMY A 7 12.994 18.270 10.992 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.352 17.868 12.070 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.669 18.541 10.454 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.270 16.728 8.644 1.00 0.00 H new HETATM 0 H3 DMY A 7 13.012 13.352 10.057 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.538 13.602 16.338 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.791 10.062 14.261 1.00 0.00 H new HETATM 0 H11 DMY A 7 11.087 16.580 14.364 1.00 0.00 H new HETATM 0 H1 DMY A 7 16.046 13.499 6.256 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.359 4.704 17.414 1.00 0.00 C HETATM 849 O1 DMY E 7 1.259 4.841 17.960 1.00 0.00 O HETATM 850 N1 DMY E 7 3.409 5.655 17.425 1.00 0.00 N HETATM 851 C2 DMY E 7 3.437 6.905 18.059 1.00 0.00 C HETATM 852 C3 DMY E 7 4.451 7.807 17.903 1.00 0.00 C HETATM 853 C4 DMY E 7 4.138 8.932 18.681 1.00 0.00 C HETATM 854 N2 DMY E 7 2.888 8.744 19.323 1.00 0.00 N HETATM 855 C5 DMY E 7 2.518 7.452 18.943 1.00 0.00 C HETATM 856 C6 DMY E 7 2.143 9.643 20.239 1.00 0.00 C HETATM 857 C7 DMY E 7 5.037 10.176 18.868 1.00 0.00 C HETATM 858 O2 DMY E 7 4.620 11.121 19.551 1.00 0.00 O HETATM 859 N3 DMY E 7 6.330 10.172 18.232 1.00 0.00 N HETATM 860 C8 DMY E 7 7.312 11.183 18.278 1.00 0.00 C HETATM 861 C9 DMY E 7 8.503 11.161 17.590 1.00 0.00 C HETATM 862 C10 DMY E 7 9.191 12.352 17.909 1.00 0.00 C HETATM 863 N4 DMY E 7 8.424 13.123 18.818 1.00 0.00 N HETATM 864 C11 DMY E 7 7.271 12.367 19.000 1.00 0.00 C HETATM 865 C12 DMY E 7 8.714 14.433 19.448 1.00 0.00 C HETATM 866 C13 DMY E 7 10.565 12.799 17.354 1.00 0.00 C HETATM 867 O3 DMY E 7 11.102 13.814 17.824 1.00 0.00 O HETATM 868 N5 DMY E 7 11.158 12.024 16.303 1.00 0.00 N HETATM 869 C14 DMY E 7 12.393 12.284 15.676 1.00 0.00 C HETATM 870 C15 DMY E 7 12.732 11.901 14.404 1.00 0.00 C HETATM 871 C16 DMY E 7 14.011 12.415 14.139 1.00 0.00 C HETATM 872 N6 DMY E 7 14.525 13.066 15.300 1.00 0.00 N HETATM 873 C17 DMY E 7 13.475 12.961 16.212 1.00 0.00 C HETATM 874 C18 DMY E 7 15.846 13.681 15.567 1.00 0.00 C HETATM 875 C19 DMY E 7 14.661 12.334 12.736 1.00 0.00 C HETATM 876 O4 DMY E 7 14.087 11.800 11.790 1.00 0.00 O HETATM 877 N7 DMY E 7 15.859 12.905 12.561 1.00 0.00 N HETATM 878 C20 DMY E 7 16.623 12.739 11.316 1.00 0.00 C HETATM 879 C21 DMY E 7 17.934 13.537 11.370 1.00 0.00 C HETATM 880 C22 DMY E 7 18.853 13.224 10.189 1.00 0.00 C HETATM 881 N8 DMY E 7 19.821 12.331 10.311 1.00 0.00 N HETATM 882 N9 DMY E 7 18.731 13.884 9.051 1.00 0.00 N HETATM 0 HN92 DMY E 7 19.348 13.669 8.268 1.00 0.00 H new HETATM 0 HN91 DMY E 7 18.020 14.609 8.955 1.00 0.00 H new HETATM 0 H212 DMY E 7 17.708 14.603 11.379 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.454 13.314 12.301 1.00 0.00 H new HETATM 0 H202 DMY E 7 16.841 11.683 11.156 1.00 0.00 H new HETATM 0 H201 DMY E 7 16.024 13.073 10.469 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.626 12.927 15.462 1.00 0.00 H new HETATM 0 H182 DMY E 7 16.023 14.487 14.855 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.862 14.082 16.580 1.00 0.00 H new HETATM 0 H123 DMY E 7 9.627 14.359 20.038 1.00 0.00 H new HETATM 0 H122 DMY E 7 8.844 15.189 18.673 1.00 0.00 H new HETATM 0 H121 DMY E 7 7.885 14.716 20.096 1.00 0.00 H new HETATM 0 HN8 DMY E 7 20.327 12.255 9.429 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.253 13.471 13.313 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.637 11.209 15.979 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.562 9.342 17.686 1.00 0.00 H new HETATM 0 HN1 DMY E 7 4.249 5.398 16.907 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.851 10.372 16.923 1.00 0.00 H new HETATM 0 H63 DMY E 7 2.748 9.845 21.123 1.00 0.00 H new HETATM 0 H62 DMY E 7 1.922 10.580 19.729 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.211 9.165 20.540 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.623 6.940 19.295 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.341 7.677 17.287 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.503 13.363 17.225 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.121 11.307 13.724 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.436 12.668 19.633 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.537 3.772 16.878 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.512 7.523 -2.004 1.00 0.00 C HETATM 912 O1 DMY B 7 3.255 7.924 -3.143 1.00 0.00 O HETATM 913 N1 DMY B 7 4.125 6.275 -1.694 1.00 0.00 N HETATM 914 C2 DMY B 7 4.614 5.296 -2.579 1.00 0.00 C HETATM 915 C3 DMY B 7 5.288 4.163 -2.180 1.00 0.00 C HETATM 916 C4 DMY B 7 5.557 3.407 -3.323 1.00 0.00 C HETATM 917 N2 DMY B 7 5.062 4.078 -4.472 1.00 0.00 N HETATM 918 C5 DMY B 7 4.502 5.250 -3.962 1.00 0.00 C HETATM 919 C6 DMY B 7 5.203 3.698 -5.903 1.00 0.00 C HETATM 920 C7 DMY B 7 6.242 2.015 -3.383 1.00 0.00 C HETATM 921 O2 DMY B 7 5.933 1.307 -4.350 1.00 0.00 O HETATM 922 N3 DMY B 7 7.202 1.614 -2.366 1.00 0.00 N HETATM 923 C8 DMY B 7 8.039 0.453 -2.422 1.00 0.00 C HETATM 924 C9 DMY B 7 9.000 0.068 -1.487 1.00 0.00 C HETATM 925 C10 DMY B 7 9.684 -1.057 -2.024 1.00 0.00 C HETATM 926 N4 DMY B 7 9.138 -1.385 -3.289 1.00 0.00 N HETATM 927 C11 DMY B 7 8.147 -0.436 -3.487 1.00 0.00 C HETATM 928 C12 DMY B 7 9.519 -2.462 -4.239 1.00 0.00 C HETATM 929 C13 DMY B 7 10.920 -1.799 -1.437 1.00 0.00 C HETATM 930 O3 DMY B 7 11.521 -2.592 -2.172 1.00 0.00 O HETATM 931 N5 DMY B 7 11.304 -1.569 -0.070 1.00 0.00 N HETATM 932 C14 DMY B 7 12.437 -2.130 0.581 1.00 0.00 C HETATM 933 C15 DMY B 7 12.669 -2.104 1.940 1.00 0.00 C HETATM 934 C16 DMY B 7 13.946 -2.676 2.166 1.00 0.00 C HETATM 935 N6 DMY B 7 14.524 -3.060 0.931 1.00 0.00 N HETATM 936 C17 DMY B 7 13.562 -2.706 -0.013 1.00 0.00 C HETATM 937 C18 DMY B 7 15.880 -3.605 0.646 1.00 0.00 C HETATM 938 C19 DMY B 7 14.695 -2.788 3.523 1.00 0.00 C HETATM 939 O4 DMY B 7 15.846 -3.229 3.572 1.00 0.00 O HETATM 940 N7 DMY B 7 14.061 -2.418 4.643 1.00 0.00 N HETATM 941 C20 DMY B 7 14.790 -2.081 5.886 1.00 0.00 C HETATM 942 C21 DMY B 7 15.318 -3.288 6.689 1.00 0.00 C HETATM 943 C22 DMY B 7 16.481 -2.981 7.638 1.00 0.00 C HETATM 944 N8 DMY B 7 16.270 -2.635 8.893 1.00 0.00 N HETATM 945 N9 DMY B 7 17.728 -3.120 7.242 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.493 -2.912 7.884 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.930 -3.435 6.293 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.496 -3.705 7.271 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.636 -4.060 5.988 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.633 -1.439 5.630 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.129 -1.499 6.529 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.635 -2.886 0.964 1.00 0.00 H new HETATM 0 H182 DMY B 7 16.018 -4.540 1.189 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.981 -3.788 -0.424 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.558 -2.330 -4.540 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.401 -3.432 -3.756 1.00 0.00 H new HETATM 0 H121 DMY B 7 8.877 -2.415 -5.119 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.119 -2.222 9.279 1.00 0.00 H new HETATM 0 HN7 DMY B 7 13.042 -2.367 4.639 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.711 -0.949 0.481 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.286 2.211 -1.543 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.222 6.063 -0.701 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.191 0.541 -0.524 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.260 3.659 -6.167 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.752 2.719 -6.066 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.701 4.437 -6.527 1.00 0.00 H new HETATM 0 H5 DMY B 7 4.038 6.027 -4.569 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.562 3.903 -1.157 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.674 -2.860 -1.086 1.00 0.00 H new HETATM 0 H15 DMY B 7 11.993 -1.715 2.702 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.521 -0.391 -4.379 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.249 8.175 -1.171 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.819 -6.391 7.724 1.00 0.00 C HETATM 975 O1 DMY F 7 14.881 -7.017 7.674 1.00 0.00 O HETATM 976 N1 DMY F 7 13.100 -5.880 6.615 1.00 0.00 N HETATM 977 C2 DMY F 7 13.376 -6.007 5.245 1.00 0.00 C HETATM 978 C3 DMY F 7 12.538 -5.549 4.267 1.00 0.00 C HETATM 979 C4 DMY F 7 13.026 -6.007 3.037 1.00 0.00 C HETATM 980 N2 DMY F 7 14.246 -6.701 3.235 1.00 0.00 N HETATM 981 C5 DMY F 7 14.405 -6.698 4.626 1.00 0.00 C HETATM 982 C6 DMY F 7 15.118 -7.380 2.248 1.00 0.00 C HETATM 983 C7 DMY F 7 12.274 -5.918 1.687 1.00 0.00 C HETATM 984 O2 DMY F 7 12.774 -6.413 0.667 1.00 0.00 O HETATM 985 N3 DMY F 7 10.986 -5.275 1.693 1.00 0.00 N HETATM 986 C8 DMY F 7 10.090 -5.172 0.616 1.00 0.00 C HETATM 987 C9 DMY F 7 9.080 -4.247 0.510 1.00 0.00 C HETATM 988 C10 DMY F 7 8.370 -4.543 -0.671 1.00 0.00 C HETATM 989 N4 DMY F 7 8.914 -5.701 -1.284 1.00 0.00 N HETATM 990 C11 DMY F 7 9.980 -6.044 -0.454 1.00 0.00 C HETATM 991 C12 DMY F 7 8.453 -6.447 -2.481 1.00 0.00 C HETATM 992 C13 DMY F 7 7.174 -3.749 -1.247 1.00 0.00 C HETATM 993 O3 DMY F 7 6.654 -4.140 -2.302 1.00 0.00 O HETATM 994 N5 DMY F 7 6.722 -2.585 -0.538 1.00 0.00 N HETATM 995 C14 DMY F 7 5.635 -1.755 -0.883 1.00 0.00 C HETATM 996 C15 DMY F 7 5.372 -0.529 -0.328 1.00 0.00 C HETATM 997 C16 DMY F 7 4.221 -0.024 -0.951 1.00 0.00 C HETATM 998 N6 DMY F 7 3.697 -0.987 -1.864 1.00 0.00 N HETATM 999 C17 DMY F 7 4.625 -2.023 -1.797 1.00 0.00 C HETATM 1000 C18 DMY F 7 2.436 -1.007 -2.644 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.692 1.404 -0.685 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.265 2.171 0.086 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.617 1.806 -1.371 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.917 3.056 -1.056 1.00 0.00 C HETATM 1005 C21 DMY F 7 0.764 3.277 -2.048 1.00 0.00 C HETATM 1006 C22 DMY F 7 -0.025 4.555 -1.775 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.192 4.504 -1.158 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.404 5.714 -2.246 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.125 6.566 -2.062 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.264 5.755 -2.793 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.166 3.315 -3.060 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.087 2.423 -2.005 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.530 3.019 -0.038 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.613 3.894 -1.102 1.00 0.00 H new HETATM 0 H183 DMY F 7 1.586 -0.972 -1.962 1.00 0.00 H new HETATM 0 H182 DMY F 7 2.405 -0.143 -3.307 1.00 0.00 H new HETATM 0 H181 DMY F 7 2.389 -1.921 -3.236 1.00 0.00 H new HETATM 0 H123 DMY F 7 7.440 -6.813 -2.314 1.00 0.00 H new HETATM 0 H122 DMY F 7 8.462 -5.786 -3.347 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.118 -7.291 -2.662 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.569 5.447 -1.064 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.273 1.226 -2.136 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.241 -2.332 0.303 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.693 -4.849 2.572 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.263 -5.344 6.845 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.868 -3.437 1.208 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.558 -8.172 1.752 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.459 -6.658 1.506 1.00 0.00 H new HETATM 0 H61 DMY F 7 15.980 -7.810 2.759 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.230 -7.177 5.153 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.649 -4.937 4.418 1.00 0.00 H new HETATM 0 H17 DMY F 7 4.566 -2.935 -2.391 1.00 0.00 H new HETATM 0 H15 DMY F 7 5.951 -0.037 0.454 1.00 0.00 H new HETATM 0 H11 DMY F 7 10.643 -6.892 -0.626 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.395 -6.215 8.712 1.00 0.00 H new