USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=13 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 -30:sc= -0.0546 (180deg=-2.85!) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-2.88!) 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=-0.00471 (180deg=-0.00471) USER MOD Single : B 1 DT O5' : rot -34:sc= 0.0164 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DMY N8 :NH3+ -166:sc= 0.523 (180deg=0.412) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.201 (180deg=-0.201) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl 150:sc= -0.136 (180deg=-0.136) 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 -30:sc= 0 (180deg=-2.8!) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= 0 (180deg=-1.02) 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 12.351 19.816 6.381 1.00 0.00 O ATOM 2 C5' DT A 1 12.066 18.705 7.233 1.00 0.00 C ATOM 3 C4' DT A 1 10.774 17.996 6.802 1.00 0.00 C ATOM 4 O4' DT A 1 10.940 17.325 5.543 1.00 0.00 O ATOM 5 C3' DT A 1 10.339 16.904 7.777 1.00 0.00 C ATOM 6 O3' DT A 1 9.464 17.449 8.769 1.00 0.00 O ATOM 7 C2' DT A 1 9.589 15.903 6.907 1.00 0.00 C ATOM 8 C1' DT A 1 9.918 16.310 5.464 1.00 0.00 C ATOM 9 N1 DT A 1 10.374 15.179 4.613 1.00 0.00 N ATOM 10 C2 DT A 1 9.592 14.749 3.555 1.00 0.00 C ATOM 11 O2 DT A 1 8.569 15.333 3.204 1.00 0.00 O ATOM 12 N3 DT A 1 9.951 13.664 2.831 1.00 0.00 N ATOM 13 C4 DT A 1 11.070 12.940 3.040 1.00 0.00 C ATOM 14 O4 DT A 1 11.330 12.006 2.288 1.00 0.00 O ATOM 15 C5 DT A 1 12.014 13.383 4.198 1.00 0.00 C ATOM 16 C7 DT A 1 13.320 12.662 4.444 1.00 0.00 C ATOM 17 C6 DT A 1 11.635 14.456 4.942 1.00 0.00 C ATOM 0 H5' DT A 1 11.970 19.048 8.263 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.897 18.000 7.208 1.00 0.00 H new ATOM 0 H4' DT A 1 10.031 18.792 6.755 1.00 0.00 H new ATOM 0 H3' DT A 1 11.179 16.454 8.306 1.00 0.00 H new ATOM 0 H2' DT A 1 9.910 14.882 7.113 1.00 0.00 H new ATOM 0 H2'' DT A 1 8.516 15.943 7.094 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.177 20.252 6.677 1.00 0.00 H new ATOM 0 H1' DT A 1 9.010 16.675 4.985 1.00 0.00 H new ATOM 0 H3 DT A 1 9.332 13.373 2.074 1.00 0.00 H new ATOM 0 H71 DT A 1 13.223 11.620 4.140 1.00 0.00 H new ATOM 0 H72 DT A 1 14.112 13.137 3.866 1.00 0.00 H new ATOM 0 H73 DT A 1 13.567 12.709 5.505 1.00 0.00 H new ATOM 0 H6 DT A 1 12.246 14.784 5.770 1.00 0.00 H new ATOM 31 P DG A 2 9.343 16.780 10.229 1.00 0.00 P ATOM 32 OP1 DG A 2 10.102 17.689 11.206 1.00 0.00 O ATOM 33 OP2 DG A 2 9.980 15.398 10.172 1.00 0.00 O ATOM 34 O5' DG A 2 7.793 16.649 10.648 1.00 0.00 O ATOM 35 C5' DG A 2 6.724 17.500 10.174 1.00 0.00 C ATOM 36 C4' DG A 2 5.402 16.711 10.017 1.00 0.00 C ATOM 37 O4' DG A 2 5.504 15.851 8.859 1.00 0.00 O ATOM 38 C3' DG A 2 5.038 15.835 11.238 1.00 0.00 C ATOM 39 O3' DG A 2 3.628 15.920 11.535 1.00 0.00 O ATOM 40 C2' DG A 2 5.431 14.438 10.769 1.00 0.00 C ATOM 41 C1' DG A 2 5.244 14.493 9.250 1.00 0.00 C ATOM 42 N9 DG A 2 6.169 13.575 8.525 1.00 0.00 N ATOM 43 C8 DG A 2 7.558 13.513 8.510 1.00 0.00 C ATOM 44 N7 DG A 2 8.234 12.563 7.779 1.00 0.00 N ATOM 45 C5 DG A 2 7.119 11.926 7.267 1.00 0.00 C ATOM 46 C6 DG A 2 7.085 10.732 6.284 1.00 0.00 C ATOM 47 O6 DG A 2 8.097 10.187 5.860 1.00 0.00 O ATOM 48 N1 DG A 2 5.850 10.329 5.892 1.00 0.00 N ATOM 49 C2 DG A 2 4.637 10.985 6.342 1.00 0.00 C ATOM 50 N2 DG A 2 3.430 10.550 5.901 1.00 0.00 N ATOM 51 N3 DG A 2 4.661 11.996 7.130 1.00 0.00 N ATOM 52 C4 DG A 2 5.881 12.521 7.679 1.00 0.00 C ATOM 0 H5' DG A 2 7.004 17.939 9.216 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.577 18.325 10.871 1.00 0.00 H new ATOM 0 H4' DG A 2 4.613 17.456 9.914 1.00 0.00 H new ATOM 0 H3' DG A 2 5.538 16.135 12.159 1.00 0.00 H new ATOM 0 H2' DG A 2 6.461 14.202 11.036 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.801 13.673 11.222 1.00 0.00 H new ATOM 0 H1' DG A 2 4.234 14.172 8.995 1.00 0.00 H new ATOM 0 H8 DG A 2 8.122 14.230 9.088 1.00 0.00 H new ATOM 0 H1 DG A 2 5.772 9.535 5.257 1.00 0.00 H new ATOM 0 H21 DG A 2 2.576 11.010 6.216 1.00 0.00 H new ATOM 0 H22 DG A 2 3.377 9.763 5.254 1.00 0.00 H new ATOM 64 P DG A 3 2.985 15.332 12.907 1.00 0.00 P ATOM 65 OP1 DG A 3 1.985 16.360 13.456 1.00 0.00 O ATOM 66 OP2 DG A 3 4.065 15.138 13.970 1.00 0.00 O ATOM 67 O5' DG A 3 2.230 13.934 12.615 1.00 0.00 O ATOM 68 C5' DG A 3 1.275 13.736 11.537 1.00 0.00 C ATOM 69 C4' DG A 3 1.242 12.271 11.046 1.00 0.00 C ATOM 70 O4' DG A 3 2.433 11.992 10.242 1.00 0.00 O ATOM 71 C3' DG A 3 1.188 11.218 12.193 1.00 0.00 C ATOM 72 O3' DG A 3 0.281 10.120 11.932 1.00 0.00 O ATOM 73 C2' DG A 3 2.588 10.625 12.067 1.00 0.00 C ATOM 74 C1' DG A 3 2.776 10.644 10.562 1.00 0.00 C ATOM 75 N9 DG A 3 4.127 10.185 10.135 1.00 0.00 N ATOM 76 C8 DG A 3 5.423 10.521 10.510 1.00 0.00 C ATOM 77 N7 DG A 3 6.510 9.783 10.079 1.00 0.00 N ATOM 78 C5 DG A 3 5.798 8.856 9.327 1.00 0.00 C ATOM 79 C6 DG A 3 6.353 7.729 8.411 1.00 0.00 C ATOM 80 O6 DG A 3 7.548 7.494 8.294 1.00 0.00 O ATOM 81 N1 DG A 3 5.431 7.025 7.702 1.00 0.00 N ATOM 82 C2 DG A 3 4.012 7.316 7.782 1.00 0.00 C ATOM 83 N2 DG A 3 3.124 6.627 7.017 1.00 0.00 N ATOM 84 N3 DG A 3 3.553 8.235 8.544 1.00 0.00 N ATOM 85 C4 DG A 3 4.390 9.083 9.343 1.00 0.00 C ATOM 0 H5' DG A 3 1.530 14.391 10.704 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.281 14.026 11.877 1.00 0.00 H new ATOM 0 H4' DG A 3 0.323 12.177 10.467 1.00 0.00 H new ATOM 0 H3' DG A 3 0.880 11.664 13.139 1.00 0.00 H new ATOM 0 H2' DG A 3 3.338 11.224 12.584 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.647 9.617 12.477 1.00 0.00 H new ATOM 0 H1' DG A 3 2.158 9.933 10.014 1.00 0.00 H new ATOM 0 H8 DG A 3 5.584 11.375 11.151 1.00 0.00 H new ATOM 0 H1 DG A 3 5.747 6.269 7.095 1.00 0.00 H new ATOM 0 H21 DG A 3 2.128 6.837 7.078 1.00 0.00 H new ATOM 0 H22 DG A 3 3.454 5.900 6.382 1.00 0.00 H new ATOM 97 P DG A 4 -1.252 9.969 12.397 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.151 11.019 11.744 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.392 10.116 13.925 1.00 0.00 O ATOM 100 O5' DG A 4 -1.778 8.480 12.044 1.00 0.00 O ATOM 101 C5' DG A 4 -1.888 7.922 10.700 1.00 0.00 C ATOM 102 C4' DG A 4 -1.322 6.480 10.584 1.00 0.00 C ATOM 103 O4' DG A 4 0.092 6.522 10.248 1.00 0.00 O ATOM 104 C3' DG A 4 -1.444 5.624 11.875 1.00 0.00 C ATOM 105 O3' DG A 4 -1.948 4.299 11.625 1.00 0.00 O ATOM 106 C2' DG A 4 0.019 5.516 12.303 1.00 0.00 C ATOM 107 C1' DG A 4 0.698 5.434 10.944 1.00 0.00 C ATOM 108 N9 DG A 4 2.185 5.514 10.996 1.00 0.00 N ATOM 109 C8 DG A 4 3.075 6.257 11.767 1.00 0.00 C ATOM 110 N7 DG A 4 4.435 6.028 11.716 1.00 0.00 N ATOM 111 C5 DG A 4 4.400 5.022 10.760 1.00 0.00 C ATOM 112 C6 DG A 4 5.594 4.223 10.169 1.00 0.00 C ATOM 113 O6 DG A 4 6.752 4.405 10.522 1.00 0.00 O ATOM 114 N1 DG A 4 5.280 3.287 9.234 1.00 0.00 N ATOM 115 C2 DG A 4 3.909 3.017 8.843 1.00 0.00 C ATOM 116 N2 DG A 4 3.626 2.022 7.957 1.00 0.00 N ATOM 117 N3 DG A 4 2.922 3.667 9.336 1.00 0.00 N ATOM 118 C4 DG A 4 3.080 4.712 10.311 1.00 0.00 C ATOM 0 H5' DG A 4 -1.359 8.570 10.001 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.936 7.919 10.400 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.930 6.013 9.809 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.130 6.064 12.599 1.00 0.00 H new ATOM 0 H2' DG A 4 0.348 6.381 12.879 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.208 4.634 12.915 1.00 0.00 H new ATOM 0 H1' DG A 4 0.557 4.470 10.456 1.00 0.00 H new ATOM 0 H8 DG A 4 2.693 7.029 12.419 1.00 0.00 H new ATOM 0 H1 DG A 4 6.032 2.758 8.793 1.00 0.00 H new ATOM 0 H21 DG A 4 2.659 1.839 7.687 1.00 0.00 H new ATOM 0 H22 DG A 4 4.381 1.460 7.563 1.00 0.00 H new ATOM 130 P DG A 5 -2.593 3.389 12.790 1.00 0.00 P ATOM 131 OP1 DG A 5 -3.997 3.913 13.112 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.794 3.549 14.095 1.00 0.00 O ATOM 133 O5' DG A 5 -2.655 1.835 12.334 1.00 0.00 O ATOM 134 C5' DG A 5 -2.999 1.381 10.989 1.00 0.00 C ATOM 135 C4' DG A 5 -2.210 0.113 10.576 1.00 0.00 C ATOM 136 O4' DG A 5 -0.838 0.495 10.312 1.00 0.00 O ATOM 137 C3' DG A 5 -2.193 -1.000 11.659 1.00 0.00 C ATOM 138 O3' DG A 5 -2.325 -2.327 11.096 1.00 0.00 O ATOM 139 C2' DG A 5 -0.782 -0.835 12.213 1.00 0.00 C ATOM 140 C1' DG A 5 0.001 -0.459 10.954 1.00 0.00 C ATOM 141 N9 DG A 5 1.361 0.092 11.220 1.00 0.00 N ATOM 142 C8 DG A 5 1.838 1.039 12.118 1.00 0.00 C ATOM 143 N7 DG A 5 3.190 1.254 12.285 1.00 0.00 N ATOM 144 C5 DG A 5 3.622 0.360 11.318 1.00 0.00 C ATOM 145 C6 DG A 5 5.082 0.022 10.913 1.00 0.00 C ATOM 146 O6 DG A 5 6.060 0.501 11.476 1.00 0.00 O ATOM 147 N1 DG A 5 5.221 -0.861 9.889 1.00 0.00 N ATOM 148 C2 DG A 5 4.078 -1.453 9.210 1.00 0.00 C ATOM 149 N2 DG A 5 4.268 -2.325 8.180 1.00 0.00 N ATOM 150 N3 DG A 5 2.876 -1.204 9.572 1.00 0.00 N ATOM 151 C4 DG A 5 2.551 -0.297 10.637 1.00 0.00 C ATOM 0 H5' DG A 5 -2.797 2.180 10.276 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.068 1.173 10.941 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.713 -0.297 9.700 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.009 -0.909 12.376 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.730 -0.058 12.975 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.410 -1.753 12.668 1.00 0.00 H new ATOM 0 H1' DG A 5 0.211 -1.338 10.344 1.00 0.00 H new ATOM 0 H8 DG A 5 1.135 1.619 12.698 1.00 0.00 H new ATOM 0 H1 DG A 5 6.160 -1.118 9.586 1.00 0.00 H new ATOM 0 H21 DG A 5 3.464 -2.738 7.707 1.00 0.00 H new ATOM 0 H22 DG A 5 5.214 -2.565 7.883 1.00 0.00 H new ATOM 163 P DT A 6 -3.034 -3.570 11.859 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.543 -3.561 11.578 1.00 0.00 O ATOM 165 OP2 DT A 6 -2.833 -3.495 13.376 1.00 0.00 O ATOM 166 O5' DT A 6 -2.430 -4.980 11.327 1.00 0.00 O ATOM 167 C5' DT A 6 -2.253 -5.271 9.921 1.00 0.00 C ATOM 168 C4' DT A 6 -0.787 -5.591 9.565 1.00 0.00 C ATOM 169 O4' DT A 6 0.101 -4.541 9.974 1.00 0.00 O ATOM 170 C3' DT A 6 -0.204 -6.840 10.232 1.00 0.00 C ATOM 171 O3' DT A 6 -0.566 -8.036 9.551 1.00 0.00 O ATOM 172 C2' DT A 6 1.299 -6.590 10.107 1.00 0.00 C ATOM 173 C1' DT A 6 1.452 -5.058 9.985 1.00 0.00 C ATOM 174 N1 DT A 6 2.296 -4.476 11.069 1.00 0.00 N ATOM 175 C2 DT A 6 3.676 -4.516 10.952 1.00 0.00 C ATOM 176 O2 DT A 6 4.246 -5.138 10.057 1.00 0.00 O ATOM 177 N3 DT A 6 4.474 -3.896 11.844 1.00 0.00 N ATOM 178 C4 DT A 6 4.028 -3.218 12.924 1.00 0.00 C ATOM 179 O4 DT A 6 4.849 -2.730 13.694 1.00 0.00 O ATOM 180 C5 DT A 6 2.480 -3.160 13.147 1.00 0.00 C ATOM 181 C7 DT A 6 1.897 -2.413 14.334 1.00 0.00 C ATOM 182 C6 DT A 6 1.688 -3.760 12.226 1.00 0.00 C ATOM 0 H5' DT A 6 -2.589 -4.418 9.331 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.883 -6.117 9.646 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.843 -5.731 8.486 1.00 0.00 H new ATOM 0 H3' DT A 6 -0.561 -6.982 11.252 1.00 0.00 H new ATOM 0 H2' DT A 6 1.834 -6.970 10.977 1.00 0.00 H new ATOM 0 H2'' DT A 6 1.710 -7.097 9.234 1.00 0.00 H new ATOM 0 HO3' DT A 6 -0.171 -8.806 10.010 1.00 0.00 H new ATOM 0 H1' DT A 6 1.985 -4.779 9.076 1.00 0.00 H new ATOM 0 H3 DT A 6 5.482 -3.942 11.694 1.00 0.00 H new ATOM 0 H71 DT A 6 2.602 -2.442 15.164 1.00 0.00 H new ATOM 0 H72 DT A 6 1.708 -1.377 14.055 1.00 0.00 H new ATOM 0 H73 DT A 6 0.961 -2.884 14.636 1.00 0.00 H new ATOM 0 H6 DT A 6 0.614 -3.719 12.330 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.681 7.630 -6.532 1.00 0.00 O ATOM 198 C5' DT B 1 7.510 6.420 -5.798 1.00 0.00 C ATOM 199 C4' DT B 1 8.765 6.128 -4.954 1.00 0.00 C ATOM 200 O4' DT B 1 8.974 7.250 -4.058 1.00 0.00 O ATOM 201 C3' DT B 1 8.633 4.859 -4.081 1.00 0.00 C ATOM 202 O3' DT B 1 9.853 4.100 -4.051 1.00 0.00 O ATOM 203 C2' DT B 1 8.395 5.436 -2.695 1.00 0.00 C ATOM 204 C1' DT B 1 9.194 6.740 -2.728 1.00 0.00 C ATOM 205 N1 DT B 1 8.777 7.736 -1.699 1.00 0.00 N ATOM 206 C2 DT B 1 9.683 8.172 -0.748 1.00 0.00 C ATOM 207 O2 DT B 1 10.861 7.813 -0.764 1.00 0.00 O ATOM 208 N3 DT B 1 9.327 9.036 0.226 1.00 0.00 N ATOM 209 C4 DT B 1 8.090 9.575 0.348 1.00 0.00 C ATOM 210 O4 DT B 1 7.850 10.411 1.211 1.00 0.00 O ATOM 211 C5 DT B 1 7.014 9.140 -0.698 1.00 0.00 C ATOM 212 C7 DT B 1 5.605 9.691 -0.600 1.00 0.00 C ATOM 213 C6 DT B 1 7.381 8.257 -1.653 1.00 0.00 C ATOM 0 H5' DT B 1 7.324 5.593 -6.484 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.637 6.500 -5.150 1.00 0.00 H new ATOM 0 H4' DT B 1 9.592 5.973 -5.647 1.00 0.00 H new ATOM 0 H3' DT B 1 7.857 4.188 -4.448 1.00 0.00 H new ATOM 0 H2' DT B 1 7.336 5.615 -2.508 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.748 4.765 -1.912 1.00 0.00 H new ATOM 0 HO5' DT B 1 8.213 8.261 -6.003 1.00 0.00 H new ATOM 0 H1' DT B 1 10.243 6.554 -2.496 1.00 0.00 H new ATOM 0 H3 DT B 1 10.033 9.300 0.913 1.00 0.00 H new ATOM 0 H71 DT B 1 5.166 9.748 -1.596 1.00 0.00 H new ATOM 0 H72 DT B 1 5.000 9.035 0.026 1.00 0.00 H new ATOM 0 H73 DT B 1 5.634 10.687 -0.159 1.00 0.00 H new ATOM 0 H6 DT B 1 6.660 7.927 -2.386 1.00 0.00 H new ATOM 227 P DG B 2 10.139 2.874 -5.066 1.00 0.00 P ATOM 228 OP1 DG B 2 10.544 3.445 -6.433 1.00 0.00 O ATOM 229 OP2 DG B 2 8.847 2.081 -5.294 1.00 0.00 O ATOM 230 O5' DG B 2 11.308 1.909 -4.488 1.00 0.00 O ATOM 231 C5' DG B 2 12.735 2.209 -4.531 1.00 0.00 C ATOM 232 C4' DG B 2 13.453 2.123 -3.162 1.00 0.00 C ATOM 233 O4' DG B 2 13.186 3.325 -2.418 1.00 0.00 O ATOM 234 C3' DG B 2 13.066 0.934 -2.251 1.00 0.00 C ATOM 235 O3' DG B 2 13.991 -0.192 -2.234 1.00 0.00 O ATOM 236 C2' DG B 2 12.870 1.558 -0.866 1.00 0.00 C ATOM 237 C1' DG B 2 13.289 3.031 -1.020 1.00 0.00 C ATOM 238 N9 DG B 2 12.402 3.967 -0.273 1.00 0.00 N ATOM 239 C8 DG B 2 11.028 4.124 -0.344 1.00 0.00 C ATOM 240 N7 DG B 2 10.342 4.939 0.523 1.00 0.00 N ATOM 241 C5 DG B 2 11.451 5.431 1.193 1.00 0.00 C ATOM 242 C6 DG B 2 11.479 6.542 2.272 1.00 0.00 C ATOM 243 O6 DG B 2 10.466 7.085 2.697 1.00 0.00 O ATOM 244 N1 DG B 2 12.710 6.913 2.704 1.00 0.00 N ATOM 245 C2 DG B 2 13.931 6.353 2.157 1.00 0.00 C ATOM 246 N2 DG B 2 15.135 6.822 2.585 1.00 0.00 N ATOM 247 N3 DG B 2 13.917 5.452 1.241 1.00 0.00 N ATOM 248 C4 DG B 2 12.694 4.904 0.709 1.00 0.00 C ATOM 0 H5' DG B 2 12.870 3.212 -4.935 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.217 1.519 -5.223 1.00 0.00 H new ATOM 0 H4' DG B 2 14.502 1.980 -3.421 1.00 0.00 H new ATOM 0 H3' DG B 2 12.167 0.455 -2.639 1.00 0.00 H new ATOM 0 H2' DG B 2 11.833 1.476 -0.541 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.479 1.052 -0.117 1.00 0.00 H new ATOM 0 H1' DG B 2 14.294 3.163 -0.619 1.00 0.00 H new ATOM 0 H8 DG B 2 10.479 3.589 -1.105 1.00 0.00 H new ATOM 0 H1 DG B 2 12.780 7.613 3.442 1.00 0.00 H new ATOM 0 H21 DG B 2 15.998 6.433 2.205 1.00 0.00 H new ATOM 0 H22 DG B 2 15.174 7.562 3.286 1.00 0.00 H new ATOM 260 P DG B 3 15.594 -0.145 -1.985 1.00 0.00 P ATOM 261 OP1 DG B 3 16.302 -0.028 -3.344 1.00 0.00 O ATOM 262 OP2 DG B 3 16.056 -1.452 -1.333 1.00 0.00 O ATOM 263 O5' DG B 3 15.969 1.141 -1.071 1.00 0.00 O ATOM 264 C5' DG B 3 17.134 1.284 -0.228 1.00 0.00 C ATOM 265 C4' DG B 3 16.775 1.440 1.270 1.00 0.00 C ATOM 266 O4' DG B 3 15.618 2.280 1.517 1.00 0.00 O ATOM 267 C3' DG B 3 16.467 0.119 2.002 1.00 0.00 C ATOM 268 O3' DG B 3 17.666 -0.554 2.489 1.00 0.00 O ATOM 269 C2' DG B 3 15.441 0.526 3.069 1.00 0.00 C ATOM 270 C1' DG B 3 15.303 2.041 2.900 1.00 0.00 C ATOM 271 N9 DG B 3 13.961 2.552 3.315 1.00 0.00 N ATOM 272 C8 DG B 3 12.664 2.243 2.920 1.00 0.00 C ATOM 273 N7 DG B 3 11.564 2.796 3.549 1.00 0.00 N ATOM 274 C5 DG B 3 12.269 3.584 4.450 1.00 0.00 C ATOM 275 C6 DG B 3 11.703 4.590 5.491 1.00 0.00 C ATOM 276 O6 DG B 3 10.503 4.774 5.653 1.00 0.00 O ATOM 277 N1 DG B 3 12.626 5.279 6.214 1.00 0.00 N ATOM 278 C2 DG B 3 14.056 5.102 6.013 1.00 0.00 C ATOM 279 N2 DG B 3 14.948 5.809 6.755 1.00 0.00 N ATOM 280 N3 DG B 3 14.517 4.288 5.142 1.00 0.00 N ATOM 281 C4 DG B 3 13.687 3.469 4.311 1.00 0.00 C ATOM 0 H5' DG B 3 17.707 2.153 -0.552 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.777 0.413 -0.354 1.00 0.00 H new ATOM 0 H4' DG B 3 17.689 1.892 1.655 1.00 0.00 H new ATOM 0 H3' DG B 3 16.054 -0.654 1.354 1.00 0.00 H new ATOM 0 H2' DG B 3 14.487 0.020 2.918 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.784 0.267 4.071 1.00 0.00 H new ATOM 0 H1' DG B 3 15.977 2.592 3.556 1.00 0.00 H new ATOM 0 H8 DG B 3 12.512 1.554 2.102 1.00 0.00 H new ATOM 0 H1 DG B 3 12.305 5.941 6.920 1.00 0.00 H new ATOM 0 H21 DG B 3 15.949 5.680 6.609 1.00 0.00 H new ATOM 0 H22 DG B 3 14.616 6.469 7.458 1.00 0.00 H new ATOM 293 P DG B 4 18.480 -0.317 3.880 1.00 0.00 P ATOM 294 OP1 DG B 4 19.937 -0.749 3.657 1.00 0.00 O ATOM 295 OP2 DG B 4 17.897 -1.211 4.986 1.00 0.00 O ATOM 296 O5' DG B 4 18.425 1.245 4.306 1.00 0.00 O ATOM 297 C5' DG B 4 19.277 1.893 5.293 1.00 0.00 C ATOM 298 C4' DG B 4 18.635 2.043 6.693 1.00 0.00 C ATOM 299 O4' DG B 4 17.236 2.441 6.633 1.00 0.00 O ATOM 300 C3' DG B 4 18.694 0.766 7.570 1.00 0.00 C ATOM 301 O3' DG B 4 19.516 0.943 8.742 1.00 0.00 O ATOM 302 C2' DG B 4 17.239 0.601 7.998 1.00 0.00 C ATOM 303 C1' DG B 4 16.687 2.012 7.879 1.00 0.00 C ATOM 304 N9 DG B 4 15.198 2.030 7.921 1.00 0.00 N ATOM 305 C8 DG B 4 14.243 1.401 7.141 1.00 0.00 C ATOM 306 N7 DG B 4 12.896 1.549 7.390 1.00 0.00 N ATOM 307 C5 DG B 4 13.020 2.420 8.463 1.00 0.00 C ATOM 308 C6 DG B 4 11.888 3.053 9.317 1.00 0.00 C ATOM 309 O6 DG B 4 10.699 2.863 9.095 1.00 0.00 O ATOM 310 N1 DG B 4 12.291 3.824 10.360 1.00 0.00 N ATOM 311 C2 DG B 4 13.693 4.012 10.680 1.00 0.00 C ATOM 312 N2 DG B 4 14.057 4.663 11.814 1.00 0.00 N ATOM 313 N3 DG B 4 14.628 3.529 9.953 1.00 0.00 N ATOM 314 C4 DG B 4 14.378 2.707 8.803 1.00 0.00 C ATOM 0 H5' DG B 4 19.551 2.882 4.925 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.200 1.321 5.389 1.00 0.00 H new ATOM 0 H4' DG B 4 19.246 2.821 7.150 1.00 0.00 H new ATOM 0 H3' DG B 4 19.121 -0.083 7.036 1.00 0.00 H new ATOM 0 H2' DG B 4 16.705 -0.097 7.353 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.158 0.220 9.016 1.00 0.00 H new ATOM 0 H1' DG B 4 16.957 2.673 8.702 1.00 0.00 H new ATOM 0 H8 DG B 4 14.561 0.779 6.317 1.00 0.00 H new ATOM 0 H1 DG B 4 11.586 4.285 10.936 1.00 0.00 H new ATOM 0 H21 DG B 4 15.045 4.792 12.033 1.00 0.00 H new ATOM 0 H22 DG B 4 13.343 5.023 12.447 1.00 0.00 H new ATOM 326 P DG B 5 19.947 -0.263 9.730 1.00 0.00 P ATOM 327 OP1 DG B 5 21.410 -0.651 9.481 1.00 0.00 O ATOM 328 OP2 DG B 5 19.072 -1.519 9.485 1.00 0.00 O ATOM 329 O5' DG B 5 19.776 0.194 11.272 1.00 0.00 O ATOM 330 C5' DG B 5 20.003 1.539 11.793 1.00 0.00 C ATOM 331 C4' DG B 5 19.078 1.824 13.003 1.00 0.00 C ATOM 332 O4' DG B 5 17.726 2.031 12.513 1.00 0.00 O ATOM 333 C3' DG B 5 19.022 0.658 14.038 1.00 0.00 C ATOM 334 O3' DG B 5 19.066 1.117 15.417 1.00 0.00 O ATOM 335 C2' DG B 5 17.652 0.063 13.714 1.00 0.00 C ATOM 336 C1' DG B 5 16.860 1.325 13.394 1.00 0.00 C ATOM 337 N9 DG B 5 15.517 1.062 12.806 1.00 0.00 N ATOM 338 C8 DG B 5 15.092 0.359 11.686 1.00 0.00 C ATOM 339 N7 DG B 5 13.748 0.199 11.404 1.00 0.00 N ATOM 340 C5 DG B 5 13.267 0.972 12.456 1.00 0.00 C ATOM 341 C6 DG B 5 11.789 1.287 12.820 1.00 0.00 C ATOM 342 O6 DG B 5 10.838 0.806 12.217 1.00 0.00 O ATOM 343 N1 DG B 5 11.602 2.102 13.894 1.00 0.00 N ATOM 344 C2 DG B 5 12.710 2.609 14.683 1.00 0.00 C ATOM 345 N2 DG B 5 12.484 3.402 15.772 1.00 0.00 N ATOM 346 N3 DG B 5 13.925 2.317 14.409 1.00 0.00 N ATOM 347 C4 DG B 5 14.301 1.505 13.286 1.00 0.00 C ATOM 0 H5' DG B 5 19.820 2.273 11.009 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.045 1.646 12.093 1.00 0.00 H new ATOM 0 H4' DG B 5 19.488 2.699 13.507 1.00 0.00 H new ATOM 0 H3' DG B 5 19.866 -0.027 13.964 1.00 0.00 H new ATOM 0 H2' DG B 5 17.690 -0.626 12.870 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.231 -0.487 14.556 1.00 0.00 H new ATOM 0 H1' DG B 5 16.607 1.892 14.290 1.00 0.00 H new ATOM 0 H8 DG B 5 15.827 -0.072 11.022 1.00 0.00 H new ATOM 0 H1 DG B 5 10.651 2.365 14.153 1.00 0.00 H new ATOM 0 H21 DG B 5 13.270 3.753 16.319 1.00 0.00 H new ATOM 0 H22 DG B 5 11.529 3.643 16.038 1.00 0.00 H new ATOM 359 P DT B 6 19.283 0.133 16.698 1.00 0.00 P ATOM 360 OP1 DT B 6 20.391 0.685 17.606 1.00 0.00 O ATOM 361 OP2 DT B 6 19.713 -1.271 16.258 1.00 0.00 O ATOM 362 O5' DT B 6 17.919 -0.003 17.569 1.00 0.00 O ATOM 363 C5' DT B 6 17.223 1.135 18.132 1.00 0.00 C ATOM 364 C4' DT B 6 15.726 0.838 18.353 1.00 0.00 C ATOM 365 O4' DT B 6 15.093 0.527 17.099 1.00 0.00 O ATOM 366 C3' DT B 6 15.396 -0.344 19.295 1.00 0.00 C ATOM 367 O3' DT B 6 14.843 0.105 20.529 1.00 0.00 O ATOM 368 C2' DT B 6 14.339 -1.144 18.529 1.00 0.00 C ATOM 369 C1' DT B 6 13.907 -0.212 17.392 1.00 0.00 C ATOM 370 N1 DT B 6 13.378 -0.944 16.209 1.00 0.00 N ATOM 371 C2 DT B 6 12.016 -0.972 15.976 1.00 0.00 C ATOM 372 O2 DT B 6 11.211 -0.473 16.760 1.00 0.00 O ATOM 373 N3 DT B 6 11.508 -1.578 14.882 1.00 0.00 N ATOM 374 C4 DT B 6 12.251 -2.213 13.945 1.00 0.00 C ATOM 375 O4 DT B 6 11.690 -2.750 12.994 1.00 0.00 O ATOM 376 C5 DT B 6 13.803 -2.236 14.152 1.00 0.00 C ATOM 377 C7 DT B 6 14.710 -2.962 13.172 1.00 0.00 C ATOM 378 C6 DT B 6 14.301 -1.605 15.245 1.00 0.00 C ATOM 0 H5' DT B 6 17.329 1.992 17.467 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.683 1.409 19.081 1.00 0.00 H new ATOM 0 H4' DT B 6 15.358 1.750 18.823 1.00 0.00 H new ATOM 0 H3' DT B 6 16.288 -0.918 19.546 1.00 0.00 H new ATOM 0 H2' DT B 6 14.749 -2.078 18.144 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.497 -1.406 19.170 1.00 0.00 H new ATOM 0 HO3' DT B 6 14.645 -0.667 21.099 1.00 0.00 H new ATOM 0 H1' DT B 6 13.073 0.430 17.676 1.00 0.00 H new ATOM 0 H3 DT B 6 10.496 -1.556 14.753 1.00 0.00 H new ATOM 0 H71 DT B 6 15.681 -2.467 13.139 1.00 0.00 H new ATOM 0 H72 DT B 6 14.840 -3.995 13.494 1.00 0.00 H new ATOM 0 H73 DT B 6 14.261 -2.945 12.179 1.00 0.00 H new ATOM 0 H6 DT B 6 15.367 -1.582 15.416 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 20.381 5.986 0.350 1.00 0.00 O ATOM 394 C5' DT E 1 19.344 6.893 -0.029 1.00 0.00 C ATOM 395 C4' DT E 1 19.379 8.182 0.820 1.00 0.00 C ATOM 396 O4' DT E 1 18.632 9.239 0.158 1.00 0.00 O ATOM 397 C3' DT E 1 18.769 8.059 2.220 1.00 0.00 C ATOM 398 O3' DT E 1 19.732 7.700 3.218 1.00 0.00 O ATOM 399 C2' DT E 1 18.322 9.483 2.484 1.00 0.00 C ATOM 400 C1' DT E 1 17.863 10.006 1.125 1.00 0.00 C ATOM 401 N1 DT E 1 16.384 9.937 0.900 1.00 0.00 N ATOM 402 C2 DT E 1 15.528 10.709 1.680 1.00 0.00 C ATOM 403 O2 DT E 1 15.935 11.512 2.514 1.00 0.00 O ATOM 404 N3 DT E 1 14.185 10.634 1.511 1.00 0.00 N ATOM 405 C4 DT E 1 13.574 9.876 0.581 1.00 0.00 C ATOM 406 O4 DT E 1 12.353 9.952 0.472 1.00 0.00 O ATOM 407 C5 DT E 1 14.469 9.008 -0.353 1.00 0.00 C ATOM 408 C7 DT E 1 13.856 8.133 -1.426 1.00 0.00 C ATOM 409 C6 DT E 1 15.812 9.042 -0.142 1.00 0.00 C ATOM 0 H5' DT E 1 18.375 6.407 0.086 1.00 0.00 H new ATOM 0 H5'' DT E 1 19.450 7.148 -1.083 1.00 0.00 H new ATOM 0 H4' DT E 1 20.443 8.396 0.924 1.00 0.00 H new ATOM 0 H3' DT E 1 17.996 7.292 2.263 1.00 0.00 H new ATOM 0 H2' DT E 1 17.513 9.515 3.214 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.137 10.086 2.885 1.00 0.00 H new ATOM 0 HO5' DT E 1 20.330 5.180 -0.205 1.00 0.00 H new ATOM 0 H1' DT E 1 18.048 11.077 1.037 1.00 0.00 H new ATOM 0 H3 DT E 1 13.597 11.190 2.131 1.00 0.00 H new ATOM 0 H71 DT E 1 14.550 8.042 -2.262 1.00 0.00 H new ATOM 0 H72 DT E 1 13.651 7.144 -1.016 1.00 0.00 H new ATOM 0 H73 DT E 1 12.926 8.582 -1.774 1.00 0.00 H new ATOM 0 H6 DT E 1 16.466 8.417 -0.733 1.00 0.00 H new ATOM 423 P DG E 2 19.292 6.939 4.584 1.00 0.00 P ATOM 424 OP1 DG E 2 19.960 5.571 4.562 1.00 0.00 O ATOM 425 OP2 DG E 2 17.769 6.850 4.618 1.00 0.00 O ATOM 426 O5' DG E 2 19.815 7.814 5.848 1.00 0.00 O ATOM 427 C5' DG E 2 19.755 9.255 5.920 1.00 0.00 C ATOM 428 C4' DG E 2 18.912 9.838 7.083 1.00 0.00 C ATOM 429 O4' DG E 2 17.831 10.677 6.598 1.00 0.00 O ATOM 430 C3' DG E 2 18.312 8.858 8.097 1.00 0.00 C ATOM 431 O3' DG E 2 19.226 8.674 9.190 1.00 0.00 O ATOM 432 C2' DG E 2 17.081 9.600 8.588 1.00 0.00 C ATOM 433 C1' DG E 2 16.668 10.526 7.445 1.00 0.00 C ATOM 434 N9 DG E 2 15.501 9.996 6.681 1.00 0.00 N ATOM 435 C8 DG E 2 15.464 9.121 5.602 1.00 0.00 C ATOM 436 N7 DG E 2 14.276 8.695 5.062 1.00 0.00 N ATOM 437 C5 DG E 2 13.438 9.316 5.963 1.00 0.00 C ATOM 438 C6 DG E 2 11.890 9.366 5.919 1.00 0.00 C ATOM 439 O6 DG E 2 11.223 8.755 5.096 1.00 0.00 O ATOM 440 N1 DG E 2 11.299 10.191 6.815 1.00 0.00 N ATOM 441 C2 DG E 2 12.058 11.005 7.737 1.00 0.00 C ATOM 442 N2 DG E 2 11.401 11.901 8.524 1.00 0.00 N ATOM 443 N3 DG E 2 13.346 10.973 7.785 1.00 0.00 N ATOM 444 C4 DG E 2 14.133 10.124 6.920 1.00 0.00 C ATOM 0 H5' DG E 2 19.351 9.630 4.980 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.772 9.638 6.006 1.00 0.00 H new ATOM 0 H4' DG E 2 19.672 10.400 7.626 1.00 0.00 H new ATOM 0 H3' DG E 2 18.098 7.873 7.681 1.00 0.00 H new ATOM 0 H2' DG E 2 16.279 8.905 8.837 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.302 10.169 9.491 1.00 0.00 H new ATOM 0 H1' DG E 2 16.340 11.488 7.837 1.00 0.00 H new ATOM 0 H8 DG E 2 16.392 8.768 5.178 1.00 0.00 H new ATOM 0 H1 DG E 2 10.280 10.240 6.840 1.00 0.00 H new ATOM 0 H21 DG E 2 11.923 12.483 9.180 1.00 0.00 H new ATOM 0 H22 DG E 2 10.387 11.991 8.458 1.00 0.00 H new ATOM 456 P DG E 3 19.139 7.390 10.177 1.00 0.00 P ATOM 457 OP1 DG E 3 20.574 7.056 10.594 1.00 0.00 O ATOM 458 OP2 DG E 3 18.445 6.229 9.492 1.00 0.00 O ATOM 459 O5' DG E 3 18.302 7.807 11.482 1.00 0.00 O ATOM 460 C5' DG E 3 18.393 9.064 12.171 1.00 0.00 C ATOM 461 C4' DG E 3 17.061 9.361 12.889 1.00 0.00 C ATOM 462 O4' DG E 3 16.026 9.575 11.894 1.00 0.00 O ATOM 463 C3' DG E 3 16.594 8.214 13.810 1.00 0.00 C ATOM 464 O3' DG E 3 16.002 8.713 15.025 1.00 0.00 O ATOM 465 C2' DG E 3 15.515 7.568 12.959 1.00 0.00 C ATOM 466 C1' DG E 3 14.888 8.770 12.251 1.00 0.00 C ATOM 467 N9 DG E 3 14.072 8.386 11.061 1.00 0.00 N ATOM 468 C8 DG E 3 14.363 7.493 10.034 1.00 0.00 C ATOM 469 N7 DG E 3 13.400 7.056 9.163 1.00 0.00 N ATOM 470 C5 DG E 3 12.341 7.731 9.723 1.00 0.00 C ATOM 471 C6 DG E 3 10.857 7.638 9.306 1.00 0.00 C ATOM 472 O6 DG E 3 10.465 6.924 8.392 1.00 0.00 O ATOM 473 N1 DG E 3 9.998 8.421 10.002 1.00 0.00 N ATOM 474 C2 DG E 3 10.437 9.301 11.064 1.00 0.00 C ATOM 475 N2 DG E 3 9.526 10.122 11.668 1.00 0.00 N ATOM 476 N3 DG E 3 11.665 9.355 11.446 1.00 0.00 N ATOM 477 C4 DG E 3 12.709 8.569 10.824 1.00 0.00 C ATOM 0 H5' DG E 3 18.622 9.861 11.464 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.208 9.035 12.894 1.00 0.00 H new ATOM 0 H4' DG E 3 17.231 10.242 13.508 1.00 0.00 H new ATOM 0 H3' DG E 3 17.405 7.556 14.121 1.00 0.00 H new ATOM 0 H2' DG E 3 15.931 6.852 12.251 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.787 7.030 13.566 1.00 0.00 H new ATOM 0 H1' DG E 3 14.175 9.297 12.885 1.00 0.00 H new ATOM 0 H8 DG E 3 15.376 7.135 9.921 1.00 0.00 H new ATOM 0 H1 DG E 3 9.005 8.389 9.769 1.00 0.00 H new ATOM 0 H21 DG E 3 9.821 10.747 12.418 1.00 0.00 H new ATOM 0 H22 DG E 3 8.551 10.109 11.369 1.00 0.00 H new ATOM 489 P DG E 4 16.078 7.854 16.393 1.00 0.00 P ATOM 490 OP1 DG E 4 17.374 8.235 17.121 1.00 0.00 O ATOM 491 OP2 DG E 4 16.068 6.362 16.089 1.00 0.00 O ATOM 492 O5' DG E 4 14.822 8.183 17.339 1.00 0.00 O ATOM 493 C5' DG E 4 14.304 9.493 17.640 1.00 0.00 C ATOM 494 C4' DG E 4 12.777 9.419 17.885 1.00 0.00 C ATOM 495 O4' DG E 4 12.117 9.303 16.602 1.00 0.00 O ATOM 496 C3' DG E 4 12.325 8.218 18.754 1.00 0.00 C ATOM 497 O3' DG E 4 11.266 8.561 19.678 1.00 0.00 O ATOM 498 C2' DG E 4 11.796 7.260 17.698 1.00 0.00 C ATOM 499 C1' DG E 4 11.212 8.198 16.639 1.00 0.00 C ATOM 500 N9 DG E 4 11.107 7.554 15.299 1.00 0.00 N ATOM 501 C8 DG E 4 12.083 6.927 14.535 1.00 0.00 C ATOM 502 N7 DG E 4 11.765 6.192 13.418 1.00 0.00 N ATOM 503 C5 DG E 4 10.403 6.415 13.454 1.00 0.00 C ATOM 504 C6 DG E 4 9.331 5.840 12.496 1.00 0.00 C ATOM 505 O6 DG E 4 9.599 5.088 11.568 1.00 0.00 O ATOM 506 N1 DG E 4 8.052 6.214 12.748 1.00 0.00 N ATOM 507 C2 DG E 4 7.701 7.084 13.852 1.00 0.00 C ATOM 508 N2 DG E 4 6.397 7.407 14.066 1.00 0.00 N ATOM 509 N3 DG E 4 8.581 7.552 14.664 1.00 0.00 N ATOM 510 C4 DG E 4 9.986 7.249 14.542 1.00 0.00 C ATOM 0 H5' DG E 4 14.515 10.174 16.816 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.802 9.896 18.522 1.00 0.00 H new ATOM 0 H4' DG E 4 12.509 10.325 18.428 1.00 0.00 H new ATOM 0 H3' DG E 4 13.127 7.829 19.381 1.00 0.00 H new ATOM 0 H2' DG E 4 12.589 6.634 17.289 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.039 6.590 18.105 1.00 0.00 H new ATOM 0 H1' DG E 4 10.193 8.491 16.890 1.00 0.00 H new ATOM 0 H8 DG E 4 13.119 7.019 14.826 1.00 0.00 H new ATOM 0 H1 DG E 4 7.310 5.870 12.138 1.00 0.00 H new ATOM 0 H21 DG E 4 6.144 8.019 14.842 1.00 0.00 H new ATOM 0 H22 DG E 4 5.672 7.037 13.451 1.00 0.00 H new ATOM 522 P DG E 5 10.933 7.662 20.991 1.00 0.00 P ATOM 523 OP1 DG E 5 11.141 8.522 22.248 1.00 0.00 O ATOM 524 OP2 DG E 5 11.861 6.450 21.087 1.00 0.00 O ATOM 525 O5' DG E 5 9.406 7.133 20.954 1.00 0.00 O ATOM 526 C5' DG E 5 8.238 7.952 20.725 1.00 0.00 C ATOM 527 C4' DG E 5 7.066 7.107 20.162 1.00 0.00 C ATOM 528 O4' DG E 5 7.296 6.860 18.746 1.00 0.00 O ATOM 529 C3' DG E 5 6.860 5.725 20.848 1.00 0.00 C ATOM 530 O3' DG E 5 5.459 5.417 21.093 1.00 0.00 O ATOM 531 C2' DG E 5 7.424 4.793 19.778 1.00 0.00 C ATOM 532 C1' DG E 5 6.967 5.491 18.500 1.00 0.00 C ATOM 533 N9 DG E 5 7.595 4.942 17.264 1.00 0.00 N ATOM 534 C8 DG E 5 8.918 4.656 16.954 1.00 0.00 C ATOM 535 N7 DG E 5 9.258 3.892 15.862 1.00 0.00 N ATOM 536 C5 DG E 5 7.976 3.712 15.377 1.00 0.00 C ATOM 537 C6 DG E 5 7.537 2.893 14.135 1.00 0.00 C ATOM 538 O6 DG E 5 8.316 2.250 13.445 1.00 0.00 O ATOM 539 N1 DG E 5 6.208 2.893 13.866 1.00 0.00 N ATOM 540 C2 DG E 5 5.252 3.596 14.694 1.00 0.00 C ATOM 541 N2 DG E 5 3.927 3.571 14.373 1.00 0.00 N ATOM 542 N3 DG E 5 5.600 4.242 15.747 1.00 0.00 N ATOM 543 C4 DG E 5 6.973 4.353 16.172 1.00 0.00 C ATOM 0 H5' DG E 5 8.482 8.752 20.026 1.00 0.00 H new ATOM 0 H5'' DG E 5 7.933 8.426 21.658 1.00 0.00 H new ATOM 0 H4' DG E 5 6.169 7.695 20.356 1.00 0.00 H new ATOM 0 H3' DG E 5 7.326 5.658 21.831 1.00 0.00 H new ATOM 0 H2' DG E 5 8.509 4.711 19.836 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.023 3.783 19.860 1.00 0.00 H new ATOM 0 H1' DG E 5 5.906 5.343 18.298 1.00 0.00 H new ATOM 0 H8 DG E 5 9.702 5.044 17.588 1.00 0.00 H new ATOM 0 H1 DG E 5 5.870 2.380 13.052 1.00 0.00 H new ATOM 0 H21 DG E 5 3.252 4.066 14.956 1.00 0.00 H new ATOM 0 H22 DG E 5 3.611 3.057 13.550 1.00 0.00 H new ATOM 555 P DT E 6 4.965 4.127 21.960 1.00 0.00 P ATOM 556 OP1 DT E 6 3.960 4.589 23.027 1.00 0.00 O ATOM 557 OP2 DT E 6 6.133 3.452 22.681 1.00 0.00 O ATOM 558 O5' DT E 6 4.230 3.034 21.010 1.00 0.00 O ATOM 559 C5' DT E 6 2.949 3.285 20.393 1.00 0.00 C ATOM 560 C4' DT E 6 2.634 2.304 19.245 1.00 0.00 C ATOM 561 O4' DT E 6 3.595 2.433 18.189 1.00 0.00 O ATOM 562 C3' DT E 6 2.646 0.812 19.589 1.00 0.00 C ATOM 563 O3' DT E 6 1.439 0.392 20.216 1.00 0.00 O ATOM 564 C2' DT E 6 2.809 0.179 18.211 1.00 0.00 C ATOM 565 C1' DT E 6 3.571 1.236 17.384 1.00 0.00 C ATOM 566 N1 DT E 6 4.935 0.784 16.991 1.00 0.00 N ATOM 567 C2 DT E 6 5.090 0.050 15.828 1.00 0.00 C ATOM 568 O2 DT E 6 4.133 -0.244 15.116 1.00 0.00 O ATOM 569 N3 DT E 6 6.302 -0.396 15.439 1.00 0.00 N ATOM 570 C4 DT E 6 7.450 -0.179 16.120 1.00 0.00 C ATOM 571 O4 DT E 6 8.487 -0.703 15.719 1.00 0.00 O ATOM 572 C5 DT E 6 7.363 0.690 17.420 1.00 0.00 C ATOM 573 C7 DT E 6 8.614 1.018 18.217 1.00 0.00 C ATOM 574 C6 DT E 6 6.136 1.122 17.807 1.00 0.00 C ATOM 0 H5' DT E 6 2.930 4.305 20.008 1.00 0.00 H new ATOM 0 H5'' DT E 6 2.167 3.215 21.149 1.00 0.00 H new ATOM 0 H4' DT E 6 1.617 2.590 18.977 1.00 0.00 H new ATOM 0 H3' DT E 6 3.423 0.538 20.303 1.00 0.00 H new ATOM 0 H2' DT E 6 3.366 -0.756 18.268 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.842 -0.052 17.764 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.490 -0.566 20.416 1.00 0.00 H new ATOM 0 H1' DT E 6 3.069 1.418 16.434 1.00 0.00 H new ATOM 0 H3 DT E 6 6.356 -0.933 14.573 1.00 0.00 H new ATOM 0 H71 DT E 6 8.489 1.982 18.710 1.00 0.00 H new ATOM 0 H72 DT E 6 8.780 0.245 18.968 1.00 0.00 H new ATOM 0 H73 DT E 6 9.472 1.062 17.546 1.00 0.00 H new ATOM 0 H6 DT E 6 6.030 1.711 18.706 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.894 13.403 6.611 1.00 0.00 O ATOM 590 C5' DT F 1 0.160 13.811 5.736 1.00 0.00 C ATOM 591 C4' DT F 1 0.047 13.207 4.319 1.00 0.00 C ATOM 592 O4' DT F 1 1.003 13.863 3.445 1.00 0.00 O ATOM 593 C3' DT F 1 0.343 11.706 4.225 1.00 0.00 C ATOM 594 O3' DT F 1 -0.843 10.896 4.270 1.00 0.00 O ATOM 595 C2' DT F 1 0.950 11.583 2.841 1.00 0.00 C ATOM 596 C1' DT F 1 1.714 12.894 2.627 1.00 0.00 C ATOM 597 N1 DT F 1 3.189 12.851 2.903 1.00 0.00 N ATOM 598 C2 DT F 1 4.001 11.978 2.183 1.00 0.00 C ATOM 599 O2 DT F 1 3.568 11.260 1.289 1.00 0.00 O ATOM 600 N3 DT F 1 5.336 11.925 2.413 1.00 0.00 N ATOM 601 C4 DT F 1 5.991 12.725 3.272 1.00 0.00 C ATOM 602 O4 DT F 1 7.210 12.613 3.365 1.00 0.00 O ATOM 603 C5 DT F 1 5.166 13.776 4.071 1.00 0.00 C ATOM 604 C7 DT F 1 5.854 14.772 4.985 1.00 0.00 C ATOM 605 C6 DT F 1 3.817 13.782 3.884 1.00 0.00 C ATOM 0 H5' DT F 1 1.117 13.522 6.171 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.160 14.898 5.661 1.00 0.00 H new ATOM 0 H4' DT F 1 -0.994 13.360 4.033 1.00 0.00 H new ATOM 0 H3' DT F 1 0.967 11.369 5.053 1.00 0.00 H new ATOM 0 H2' DT F 1 1.616 10.723 2.777 1.00 0.00 H new ATOM 0 H2'' DT F 1 0.179 11.447 2.082 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.767 13.815 7.491 1.00 0.00 H new ATOM 0 H1' DT F 1 1.720 13.154 1.568 1.00 0.00 H new ATOM 0 H3 DT F 1 5.880 11.231 1.900 1.00 0.00 H new ATOM 0 H71 DT F 1 6.767 14.330 5.384 1.00 0.00 H new ATOM 0 H72 DT F 1 6.102 15.671 4.422 1.00 0.00 H new ATOM 0 H73 DT F 1 5.188 15.032 5.808 1.00 0.00 H new ATOM 0 H6 DT F 1 3.199 14.464 4.449 1.00 0.00 H new ATOM 619 P DG F 2 -0.847 9.430 4.980 1.00 0.00 P ATOM 620 OP1 DG F 2 -1.779 9.522 6.181 1.00 0.00 O ATOM 621 OP2 DG F 2 0.576 9.053 5.369 1.00 0.00 O ATOM 622 O5' DG F 2 -1.421 8.328 3.938 1.00 0.00 O ATOM 623 C5' DG F 2 -1.194 8.349 2.516 1.00 0.00 C ATOM 624 C4' DG F 2 -0.458 7.113 1.934 1.00 0.00 C ATOM 625 O4' DG F 2 0.799 7.488 1.317 1.00 0.00 O ATOM 626 C3' DG F 2 -0.209 5.897 2.843 1.00 0.00 C ATOM 627 O3' DG F 2 -1.321 4.980 2.675 1.00 0.00 O ATOM 628 C2' DG F 2 1.102 5.334 2.293 1.00 0.00 C ATOM 629 C1' DG F 2 1.791 6.464 1.534 1.00 0.00 C ATOM 630 N9 DG F 2 2.976 7.008 2.252 1.00 0.00 N ATOM 631 C8 DG F 2 3.047 8.007 3.215 1.00 0.00 C ATOM 632 N7 DG F 2 4.248 8.411 3.737 1.00 0.00 N ATOM 633 C5 DG F 2 5.049 7.510 3.074 1.00 0.00 C ATOM 634 C6 DG F 2 6.595 7.426 3.110 1.00 0.00 C ATOM 635 O6 DG F 2 7.295 8.168 3.784 1.00 0.00 O ATOM 636 N1 DG F 2 7.157 6.507 2.292 1.00 0.00 N ATOM 637 C2 DG F 2 6.374 5.669 1.417 1.00 0.00 C ATOM 638 N2 DG F 2 7.015 4.788 0.603 1.00 0.00 N ATOM 639 N3 DG F 2 5.089 5.760 1.341 1.00 0.00 N ATOM 640 C4 DG F 2 4.326 6.662 2.176 1.00 0.00 C ATOM 0 H5' DG F 2 -0.617 9.241 2.272 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.157 8.445 2.014 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.197 6.760 1.214 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.138 6.107 3.910 1.00 0.00 H new ATOM 0 H2' DG F 2 1.735 4.971 3.103 1.00 0.00 H new ATOM 0 H2'' DG F 2 0.911 4.487 1.634 1.00 0.00 H new ATOM 0 H1' DG F 2 2.182 6.083 0.590 1.00 0.00 H new ATOM 0 H8 DG F 2 2.137 8.475 3.559 1.00 0.00 H new ATOM 0 H1 DG F 2 8.172 6.403 2.294 1.00 0.00 H new ATOM 0 H21 DG F 2 6.478 4.187 -0.022 1.00 0.00 H new ATOM 0 H22 DG F 2 8.033 4.728 0.618 1.00 0.00 H new ATOM 652 P DG F 3 -1.314 3.416 3.088 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.766 2.935 3.155 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.571 3.198 4.391 1.00 0.00 O ATOM 655 O5' DG F 3 -0.611 2.613 1.856 1.00 0.00 O ATOM 656 C5' DG F 3 -0.389 1.183 1.846 1.00 0.00 C ATOM 657 C4' DG F 3 0.951 0.728 2.481 1.00 0.00 C ATOM 658 O4' DG F 3 1.975 1.748 2.506 1.00 0.00 O ATOM 659 C3' DG F 3 0.810 0.231 3.925 1.00 0.00 C ATOM 660 O3' DG F 3 0.507 -1.187 3.972 1.00 0.00 O ATOM 661 C2' DG F 3 2.103 0.687 4.603 1.00 0.00 C ATOM 662 C1' DG F 3 2.948 1.320 3.479 1.00 0.00 C ATOM 663 N9 DG F 3 3.794 2.468 3.943 1.00 0.00 N ATOM 664 C8 DG F 3 3.471 3.502 4.817 1.00 0.00 C ATOM 665 N7 DG F 3 4.432 4.305 5.376 1.00 0.00 N ATOM 666 C5 DG F 3 5.521 3.717 4.775 1.00 0.00 C ATOM 667 C6 DG F 3 7.009 4.083 4.984 1.00 0.00 C ATOM 668 O6 DG F 3 7.381 4.961 5.752 1.00 0.00 O ATOM 669 N1 DG F 3 7.901 3.388 4.237 1.00 0.00 N ATOM 670 C2 DG F 3 7.491 2.375 3.287 1.00 0.00 C ATOM 671 N2 DG F 3 8.442 1.760 2.518 1.00 0.00 N ATOM 672 N3 DG F 3 6.258 2.044 3.126 1.00 0.00 N ATOM 673 C4 DG F 3 5.178 2.661 3.869 1.00 0.00 C ATOM 0 H5' DG F 3 -0.424 0.831 0.815 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.209 0.699 2.376 1.00 0.00 H new ATOM 0 H4' DG F 3 1.249 -0.085 1.819 1.00 0.00 H new ATOM 0 H3' DG F 3 -0.039 0.645 4.468 1.00 0.00 H new ATOM 0 H2' DG F 3 1.899 1.407 5.395 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.624 -0.153 5.062 1.00 0.00 H new ATOM 0 H1' DG F 3 3.669 0.606 3.082 1.00 0.00 H new ATOM 0 H8 DG F 3 2.434 3.677 5.062 1.00 0.00 H new ATOM 0 H1 DG F 3 8.896 3.585 4.348 1.00 0.00 H new ATOM 0 H21 DG F 3 8.169 1.044 1.844 1.00 0.00 H new ATOM 0 H22 DG F 3 9.424 2.017 2.619 1.00 0.00 H new ATOM 685 P DG F 4 1.530 -2.438 3.859 1.00 0.00 P ATOM 686 OP1 DG F 4 0.689 -3.700 3.616 1.00 0.00 O ATOM 687 OP2 DG F 4 2.335 -2.568 5.147 1.00 0.00 O ATOM 688 O5' DG F 4 2.516 -2.241 2.581 1.00 0.00 O ATOM 689 C5' DG F 4 3.291 -3.313 1.986 1.00 0.00 C ATOM 690 C4' DG F 4 4.725 -3.463 2.545 1.00 0.00 C ATOM 691 O4' DG F 4 5.335 -2.190 2.845 1.00 0.00 O ATOM 692 C3' DG F 4 4.838 -4.323 3.811 1.00 0.00 C ATOM 693 O3' DG F 4 5.050 -5.715 3.485 1.00 0.00 O ATOM 694 C2' DG F 4 6.030 -3.707 4.534 1.00 0.00 C ATOM 695 C1' DG F 4 6.399 -2.423 3.779 1.00 0.00 C ATOM 696 N9 DG F 4 6.554 -1.274 4.714 1.00 0.00 N ATOM 697 C8 DG F 4 5.584 -0.619 5.458 1.00 0.00 C ATOM 698 N7 DG F 4 5.908 0.313 6.416 1.00 0.00 N ATOM 699 C5 DG F 4 7.278 0.229 6.271 1.00 0.00 C ATOM 700 C6 DG F 4 8.355 1.003 7.067 1.00 0.00 C ATOM 701 O6 DG F 4 8.084 1.820 7.938 1.00 0.00 O ATOM 702 N1 DG F 4 9.642 0.724 6.743 1.00 0.00 N ATOM 703 C2 DG F 4 9.994 -0.237 5.717 1.00 0.00 C ATOM 704 N2 DG F 4 11.306 -0.475 5.431 1.00 0.00 N ATOM 705 N3 DG F 4 9.109 -0.888 5.052 1.00 0.00 N ATOM 706 C4 DG F 4 7.693 -0.709 5.268 1.00 0.00 C ATOM 0 H5' DG F 4 3.351 -3.146 0.911 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.758 -4.253 2.133 1.00 0.00 H new ATOM 0 H4' DG F 4 5.246 -3.970 1.733 1.00 0.00 H new ATOM 0 H3' DG F 4 3.934 -4.325 4.420 1.00 0.00 H new ATOM 0 H2' DG F 4 5.779 -3.486 5.571 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.871 -4.400 4.550 1.00 0.00 H new ATOM 0 H1' DG F 4 7.356 -2.529 3.268 1.00 0.00 H new ATOM 0 H8 DG F 4 4.544 -0.848 5.280 1.00 0.00 H new ATOM 0 H1 DG F 4 10.390 1.208 7.240 1.00 0.00 H new ATOM 0 H21 DG F 4 11.556 -1.151 4.709 1.00 0.00 H new ATOM 0 H22 DG F 4 12.037 0.023 5.939 1.00 0.00 H new ATOM 718 P DG F 5 5.099 -6.907 4.592 1.00 0.00 P ATOM 719 OP1 DG F 5 4.407 -8.155 4.024 1.00 0.00 O ATOM 720 OP2 DG F 5 4.415 -6.515 5.898 1.00 0.00 O ATOM 721 O5' DG F 5 6.633 -7.279 4.926 1.00 0.00 O ATOM 722 C5' DG F 5 7.729 -7.236 3.983 1.00 0.00 C ATOM 723 C4' DG F 5 9.064 -6.977 4.718 1.00 0.00 C ATOM 724 O4' DG F 5 9.093 -5.591 5.168 1.00 0.00 O ATOM 725 C3' DG F 5 9.289 -7.875 5.962 1.00 0.00 C ATOM 726 O3' DG F 5 10.680 -8.225 6.154 1.00 0.00 O ATOM 727 C2' DG F 5 8.913 -6.913 7.087 1.00 0.00 C ATOM 728 C1' DG F 5 9.450 -5.589 6.553 1.00 0.00 C ATOM 729 N9 DG F 5 8.956 -4.394 7.293 1.00 0.00 N ATOM 730 C8 DG F 5 7.665 -3.979 7.588 1.00 0.00 C ATOM 731 N7 DG F 5 7.427 -2.923 8.435 1.00 0.00 N ATOM 732 C5 DG F 5 8.743 -2.615 8.710 1.00 0.00 C ATOM 733 C6 DG F 5 9.276 -1.593 9.748 1.00 0.00 C ATOM 734 O6 DG F 5 8.552 -0.891 10.439 1.00 0.00 O ATOM 735 N1 DG F 5 10.622 -1.542 9.894 1.00 0.00 N ATOM 736 C2 DG F 5 11.512 -2.410 9.158 1.00 0.00 C ATOM 737 N2 DG F 5 12.858 -2.334 9.369 1.00 0.00 N ATOM 738 N3 DG F 5 11.086 -3.288 8.321 1.00 0.00 N ATOM 739 C4 DG F 5 9.677 -3.466 8.037 1.00 0.00 C ATOM 0 H5' DG F 5 7.553 -6.451 3.248 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.784 -8.178 3.437 1.00 0.00 H new ATOM 0 H4' DG F 5 9.852 -7.207 4.001 1.00 0.00 H new ATOM 0 H3' DG F 5 8.737 -8.812 5.897 1.00 0.00 H new ATOM 0 H2' DG F 5 7.837 -6.880 7.255 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.375 -7.190 8.034 1.00 0.00 H new ATOM 0 H1' DG F 5 10.528 -5.511 6.693 1.00 0.00 H new ATOM 0 H8 DG F 5 6.829 -4.497 7.142 1.00 0.00 H new ATOM 0 H1 DG F 5 11.021 -0.867 10.546 1.00 0.00 H new ATOM 0 H21 DG F 5 13.491 -2.945 8.852 1.00 0.00 H new ATOM 0 H22 DG F 5 13.232 -1.667 10.044 1.00 0.00 H new ATOM 751 P DT F 6 11.381 -9.612 5.716 1.00 0.00 P ATOM 752 OP1 DT F 6 11.992 -9.518 4.317 1.00 0.00 O ATOM 753 OP2 DT F 6 10.381 -10.776 5.723 1.00 0.00 O ATOM 754 O5' DT F 6 12.562 -9.976 6.777 1.00 0.00 O ATOM 755 C5' DT F 6 12.291 -10.555 8.074 1.00 0.00 C ATOM 756 C4' DT F 6 12.624 -9.583 9.219 1.00 0.00 C ATOM 757 O4' DT F 6 11.695 -8.486 9.266 1.00 0.00 O ATOM 758 C3' DT F 6 12.555 -10.212 10.629 1.00 0.00 C ATOM 759 O3' DT F 6 13.856 -10.480 11.140 1.00 0.00 O ATOM 760 C2' DT F 6 11.870 -9.148 11.494 1.00 0.00 C ATOM 761 C1' DT F 6 11.775 -7.923 10.579 1.00 0.00 C ATOM 762 N1 DT F 6 10.630 -7.014 10.866 1.00 0.00 N ATOM 763 C2 DT F 6 10.868 -5.698 11.232 1.00 0.00 C ATOM 764 O2 DT F 6 12.005 -5.251 11.357 1.00 0.00 O ATOM 765 N3 DT F 6 9.841 -4.852 11.486 1.00 0.00 N ATOM 766 C4 DT F 6 8.533 -5.188 11.394 1.00 0.00 C ATOM 767 O4 DT F 6 7.670 -4.361 11.681 1.00 0.00 O ATOM 768 C5 DT F 6 8.191 -6.647 10.956 1.00 0.00 C ATOM 769 C7 DT F 6 6.753 -7.096 10.780 1.00 0.00 C ATOM 770 C6 DT F 6 9.229 -7.484 10.695 1.00 0.00 C ATOM 0 H5' DT F 6 12.874 -11.468 8.192 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.240 -10.838 8.132 1.00 0.00 H new ATOM 0 H4' DT F 6 13.644 -9.272 8.993 1.00 0.00 H new ATOM 0 H3' DT F 6 12.022 -11.163 10.618 1.00 0.00 H new ATOM 0 H2' DT F 6 10.884 -9.477 11.823 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.449 -8.931 12.391 1.00 0.00 H new ATOM 0 HO3' DT F 6 13.781 -10.876 12.033 1.00 0.00 H new ATOM 0 H1' DT F 6 12.633 -7.267 10.723 1.00 0.00 H new ATOM 0 H3 DT F 6 10.069 -3.898 11.765 1.00 0.00 H new ATOM 0 H71 DT F 6 6.111 -6.536 11.460 1.00 0.00 H new ATOM 0 H72 DT F 6 6.439 -6.915 9.752 1.00 0.00 H new ATOM 0 H73 DT F 6 6.674 -8.160 11.001 1.00 0.00 H new ATOM 0 H6 DT F 6 9.036 -8.493 10.362 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.481 14.274 6.919 1.00 0.00 C HETATM 786 O1 DMY A 7 15.834 15.411 6.590 1.00 0.00 O HETATM 787 N1 DMY A 7 14.713 13.951 8.074 1.00 0.00 N HETATM 788 C2 DMY A 7 14.189 14.831 9.040 1.00 0.00 C HETATM 789 C3 DMY A 7 13.354 14.445 10.063 1.00 0.00 C HETATM 790 C4 DMY A 7 13.235 15.531 10.936 1.00 0.00 C HETATM 791 N2 DMY A 7 13.923 16.651 10.417 1.00 0.00 N HETATM 792 C5 DMY A 7 14.514 16.165 9.249 1.00 0.00 C HETATM 793 C6 DMY A 7 13.859 18.060 10.878 1.00 0.00 C HETATM 794 C7 DMY A 7 12.534 15.533 12.315 1.00 0.00 C HETATM 795 O2 DMY A 7 12.987 16.299 13.182 1.00 0.00 O HETATM 796 N3 DMY A 7 11.374 14.704 12.517 1.00 0.00 N HETATM 797 C8 DMY A 7 10.429 14.836 13.564 1.00 0.00 C HETATM 798 C9 DMY A 7 9.369 13.981 13.815 1.00 0.00 C HETATM 799 C10 DMY A 7 8.544 14.609 14.778 1.00 0.00 C HETATM 800 N4 DMY A 7 9.061 15.891 15.090 1.00 0.00 N HETATM 801 C11 DMY A 7 10.219 15.977 14.323 1.00 0.00 C HETATM 802 C12 DMY A 7 8.430 17.004 15.842 1.00 0.00 C HETATM 803 C13 DMY A 7 7.225 14.058 15.388 1.00 0.00 C HETATM 804 O3 DMY A 7 6.656 14.735 16.255 1.00 0.00 O HETATM 805 N5 DMY A 7 6.735 12.780 14.944 1.00 0.00 N HETATM 806 C14 DMY A 7 5.523 12.152 15.327 1.00 0.00 C HETATM 807 C15 DMY A 7 5.119 10.904 14.916 1.00 0.00 C HETATM 808 C16 DMY A 7 3.830 10.677 15.435 1.00 0.00 C HETATM 809 N6 DMY A 7 3.406 11.809 16.189 1.00 0.00 N HETATM 810 C17 DMY A 7 4.489 12.686 16.089 1.00 0.00 C HETATM 811 C18 DMY A 7 2.131 12.087 16.895 1.00 0.00 C HETATM 812 C19 DMY A 7 3.026 9.378 15.148 1.00 0.00 C HETATM 813 O4 DMY A 7 3.541 8.440 14.538 1.00 0.00 O HETATM 814 N7 DMY A 7 1.760 9.291 15.578 1.00 0.00 N HETATM 815 C20 DMY A 7 0.871 8.190 15.161 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.361 8.094 16.082 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.405 7.083 15.596 1.00 0.00 C HETATM 818 N8 DMY A 7 -2.552 7.503 15.105 1.00 0.00 N HETATM 819 N9 DMY A 7 -1.206 5.784 15.734 1.00 0.00 N HETATM 0 HN92 DMY A 7 -1.910 5.123 15.406 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -0.349 5.443 16.169 1.00 0.00 H new HETATM 0 H212 DMY A 7 -0.036 7.816 17.084 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.826 9.077 16.159 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.548 8.349 14.132 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.419 7.248 15.182 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.308 12.067 16.181 1.00 0.00 H new HETATM 0 H182 DMY A 7 1.966 11.328 17.660 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.181 13.070 17.364 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.515 17.313 15.336 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.191 16.671 16.852 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.120 17.847 15.891 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -3.120 6.701 14.833 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.401 10.006 16.211 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.322 12.272 14.283 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.219 13.953 11.845 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.519 12.960 8.219 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.201 13.006 13.356 1.00 0.00 H new HETATM 0 H63 DMY A 7 12.835 18.424 10.795 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.181 18.118 11.918 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.514 18.675 10.261 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.148 16.756 8.587 1.00 0.00 H new HETATM 0 H3 DMY A 7 12.874 13.473 10.173 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.520 13.672 16.553 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.694 10.214 14.299 1.00 0.00 H new HETATM 0 H11 DMY A 7 10.884 16.841 14.319 1.00 0.00 H new HETATM 0 H1 DMY A 7 15.782 13.450 6.272 1.00 0.00 H new HETATM 848 C1 DMY E 7 1.930 4.967 17.125 1.00 0.00 C HETATM 849 O1 DMY E 7 0.912 5.136 17.803 1.00 0.00 O HETATM 850 N1 DMY E 7 3.062 5.824 17.115 1.00 0.00 N HETATM 851 C2 DMY E 7 3.268 6.991 17.867 1.00 0.00 C HETATM 852 C3 DMY E 7 4.361 7.801 17.725 1.00 0.00 C HETATM 853 C4 DMY E 7 4.191 8.891 18.590 1.00 0.00 C HETATM 854 N2 DMY E 7 2.971 8.759 19.303 1.00 0.00 N HETATM 855 C5 DMY E 7 2.443 7.557 18.828 1.00 0.00 C HETATM 856 C6 DMY E 7 2.393 9.626 20.360 1.00 0.00 C HETATM 857 C7 DMY E 7 5.196 10.048 18.794 1.00 0.00 C HETATM 858 O2 DMY E 7 4.888 10.962 19.572 1.00 0.00 O HETATM 859 N3 DMY E 7 6.458 10.000 18.098 1.00 0.00 N HETATM 860 C8 DMY E 7 7.526 10.907 18.262 1.00 0.00 C HETATM 861 C9 DMY E 7 8.578 11.096 17.389 1.00 0.00 C HETATM 862 C10 DMY E 7 9.441 12.044 17.982 1.00 0.00 C HETATM 863 N4 DMY E 7 8.941 12.422 19.254 1.00 0.00 N HETATM 864 C11 DMY E 7 7.772 11.685 19.381 1.00 0.00 C HETATM 865 C12 DMY E 7 9.503 13.355 20.260 1.00 0.00 C HETATM 866 C13 DMY E 7 10.757 12.608 17.392 1.00 0.00 C HETATM 867 O3 DMY E 7 11.387 13.443 18.057 1.00 0.00 O HETATM 868 N5 DMY E 7 11.199 12.145 16.107 1.00 0.00 N HETATM 869 C14 DMY E 7 12.400 12.496 15.448 1.00 0.00 C HETATM 870 C15 DMY E 7 12.796 12.023 14.220 1.00 0.00 C HETATM 871 C16 DMY E 7 14.029 12.623 13.912 1.00 0.00 C HETATM 872 N6 DMY E 7 14.440 13.469 14.983 1.00 0.00 N HETATM 873 C17 DMY E 7 13.388 13.367 15.889 1.00 0.00 C HETATM 874 C18 DMY E 7 15.653 14.303 15.160 1.00 0.00 C HETATM 875 C19 DMY E 7 14.733 12.432 12.548 1.00 0.00 C HETATM 876 O4 DMY E 7 14.189 11.844 11.617 1.00 0.00 O HETATM 877 N7 DMY E 7 15.953 12.960 12.394 1.00 0.00 N HETATM 878 C20 DMY E 7 16.727 12.803 11.156 1.00 0.00 C HETATM 879 C21 DMY E 7 18.207 13.136 11.411 1.00 0.00 C HETATM 880 C22 DMY E 7 19.074 13.038 10.156 1.00 0.00 C HETATM 881 N8 DMY E 7 19.021 13.988 9.237 1.00 0.00 N HETATM 882 N9 DMY E 7 19.957 12.065 10.017 1.00 0.00 N HETATM 0 HN92 DMY E 7 20.529 12.012 9.174 1.00 0.00 H new HETATM 0 HN91 DMY E 7 20.067 11.367 10.753 1.00 0.00 H new HETATM 0 H212 DMY E 7 18.280 14.145 11.817 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.599 12.458 12.169 1.00 0.00 H new HETATM 0 H202 DMY E 7 16.635 11.781 10.787 1.00 0.00 H new HETATM 0 H201 DMY E 7 16.327 13.458 10.382 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.539 13.669 15.126 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.706 15.042 14.361 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.607 14.812 16.123 1.00 0.00 H new HETATM 0 H123 DMY E 7 10.486 13.004 20.573 1.00 0.00 H new HETATM 0 H122 DMY E 7 9.595 14.349 19.823 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.841 13.399 21.125 1.00 0.00 H new HETATM 0 HN8 DMY E 7 19.660 13.761 8.475 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.360 13.491 13.164 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.583 11.495 15.619 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.590 9.243 17.427 1.00 0.00 H new HETATM 0 HN1 DMY E 7 3.818 5.559 16.484 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.717 10.607 16.425 1.00 0.00 H new HETATM 0 H63 DMY E 7 3.075 9.668 21.209 1.00 0.00 H new HETATM 0 H62 DMY E 7 2.243 10.631 19.965 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.436 9.217 20.683 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.504 7.120 19.168 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.209 7.630 17.061 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.345 13.908 16.834 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.253 11.312 13.598 1.00 0.00 H new HETATM 0 H11 DMY E 7 7.124 11.715 20.257 1.00 0.00 H new HETATM 0 H1 DMY E 7 1.962 4.088 16.481 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.351 7.231 -1.978 1.00 0.00 C HETATM 912 O1 DMY B 7 3.132 7.634 -3.123 1.00 0.00 O HETATM 913 N1 DMY B 7 3.931 5.975 -1.647 1.00 0.00 N HETATM 914 C2 DMY B 7 4.427 4.985 -2.517 1.00 0.00 C HETATM 915 C3 DMY B 7 5.107 3.866 -2.098 1.00 0.00 C HETATM 916 C4 DMY B 7 5.395 3.101 -3.228 1.00 0.00 C HETATM 917 N2 DMY B 7 4.910 3.752 -4.391 1.00 0.00 N HETATM 918 C5 DMY B 7 4.330 4.924 -3.901 1.00 0.00 C HETATM 919 C6 DMY B 7 5.121 3.377 -5.815 1.00 0.00 C HETATM 920 C7 DMY B 7 6.109 1.726 -3.266 1.00 0.00 C HETATM 921 O2 DMY B 7 5.780 0.974 -4.193 1.00 0.00 O HETATM 922 N3 DMY B 7 7.127 1.396 -2.283 1.00 0.00 N HETATM 923 C8 DMY B 7 8.013 0.276 -2.356 1.00 0.00 C HETATM 924 C9 DMY B 7 8.970 -0.099 -1.414 1.00 0.00 C HETATM 925 C10 DMY B 7 9.709 -1.176 -1.974 1.00 0.00 C HETATM 926 N4 DMY B 7 9.216 -1.471 -3.269 1.00 0.00 N HETATM 927 C11 DMY B 7 8.190 -0.558 -3.454 1.00 0.00 C HETATM 928 C12 DMY B 7 9.693 -2.455 -4.275 1.00 0.00 C HETATM 929 C13 DMY B 7 10.933 -1.919 -1.364 1.00 0.00 C HETATM 930 O3 DMY B 7 11.556 -2.695 -2.098 1.00 0.00 O HETATM 931 N5 DMY B 7 11.279 -1.713 0.018 1.00 0.00 N HETATM 932 C14 DMY B 7 12.384 -2.296 0.698 1.00 0.00 C HETATM 933 C15 DMY B 7 12.638 -2.188 2.050 1.00 0.00 C HETATM 934 C16 DMY B 7 13.878 -2.827 2.301 1.00 0.00 C HETATM 935 N6 DMY B 7 14.404 -3.346 1.095 1.00 0.00 N HETATM 936 C17 DMY B 7 13.452 -3.001 0.140 1.00 0.00 C HETATM 937 C18 DMY B 7 15.702 -4.022 0.836 1.00 0.00 C HETATM 938 C19 DMY B 7 14.656 -2.872 3.643 1.00 0.00 C HETATM 939 O4 DMY B 7 15.818 -3.283 3.679 1.00 0.00 O HETATM 940 N7 DMY B 7 14.036 -2.486 4.765 1.00 0.00 N HETATM 941 C20 DMY B 7 14.782 -2.138 5.995 1.00 0.00 C HETATM 942 C21 DMY B 7 15.398 -3.334 6.753 1.00 0.00 C HETATM 943 C22 DMY B 7 16.584 -2.999 7.664 1.00 0.00 C HETATM 944 N8 DMY B 7 16.416 -2.787 8.955 1.00 0.00 N HETATM 945 N9 DMY B 7 17.813 -2.980 7.197 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.591 -2.755 7.817 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.989 -3.190 6.214 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.619 -3.799 7.357 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.721 -4.076 6.023 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.581 -1.445 5.732 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.110 -1.608 6.670 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.520 -3.349 1.093 1.00 0.00 H new HETATM 0 H182 DMY B 7 15.770 -4.924 1.444 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.769 -4.289 -0.219 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.724 -2.227 -4.547 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.642 -3.459 -3.854 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.063 -2.402 -5.163 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.257 -2.358 9.342 1.00 0.00 H new HETATM 0 HN7 DMY B 7 13.018 -2.430 4.772 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.677 -1.092 0.559 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.217 2.013 -1.476 1.00 0.00 H new HETATM 0 HN1 DMY B 7 3.996 5.764 -0.651 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.123 0.350 -0.432 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.188 3.385 -6.039 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.721 2.378 -5.991 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.609 4.092 -6.459 1.00 0.00 H new HETATM 0 H5 DMY B 7 3.863 5.689 -4.522 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.373 3.621 -1.070 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.531 -3.252 -0.918 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.002 -1.701 2.789 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.588 -0.500 -4.361 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.078 7.890 -1.154 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.911 -6.341 8.122 1.00 0.00 C HETATM 975 O1 DMY F 7 14.981 -6.955 8.081 1.00 0.00 O HETATM 976 N1 DMY F 7 13.124 -5.963 7.005 1.00 0.00 N HETATM 977 C2 DMY F 7 13.374 -6.184 5.641 1.00 0.00 C HETATM 978 C3 DMY F 7 12.570 -5.712 4.640 1.00 0.00 C HETATM 979 C4 DMY F 7 13.046 -6.232 3.431 1.00 0.00 C HETATM 980 N2 DMY F 7 14.223 -6.984 3.662 1.00 0.00 N HETATM 981 C5 DMY F 7 14.363 -6.958 5.054 1.00 0.00 C HETATM 982 C6 DMY F 7 15.081 -7.712 2.698 1.00 0.00 C HETATM 983 C7 DMY F 7 12.323 -6.135 2.067 1.00 0.00 C HETATM 984 O2 DMY F 7 12.829 -6.660 1.065 1.00 0.00 O HETATM 985 N3 DMY F 7 11.060 -5.444 2.035 1.00 0.00 N HETATM 986 C8 DMY F 7 10.200 -5.309 0.932 1.00 0.00 C HETATM 987 C9 DMY F 7 9.199 -4.375 0.817 1.00 0.00 C HETATM 988 C10 DMY F 7 8.539 -4.622 -0.403 1.00 0.00 C HETATM 989 N4 DMY F 7 9.109 -5.754 -1.040 1.00 0.00 N HETATM 990 C11 DMY F 7 10.133 -6.137 -0.176 1.00 0.00 C HETATM 991 C12 DMY F 7 8.687 -6.463 -2.272 1.00 0.00 C HETATM 992 C13 DMY F 7 7.362 -3.810 -0.992 1.00 0.00 C HETATM 993 O3 DMY F 7 6.884 -4.158 -2.081 1.00 0.00 O HETATM 994 N5 DMY F 7 6.869 -2.687 -0.245 1.00 0.00 N HETATM 995 C14 DMY F 7 5.782 -1.856 -0.589 1.00 0.00 C HETATM 996 C15 DMY F 7 5.483 -0.656 0.009 1.00 0.00 C HETATM 997 C16 DMY F 7 4.326 -0.155 -0.607 1.00 0.00 C HETATM 998 N6 DMY F 7 3.858 -1.079 -1.588 1.00 0.00 N HETATM 999 C17 DMY F 7 4.802 -2.101 -1.539 1.00 0.00 C HETATM 1000 C18 DMY F 7 2.663 -1.051 -2.465 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.741 1.238 -0.271 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.305 2.005 0.505 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.631 1.616 -0.913 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.924 2.864 -0.595 1.00 0.00 C HETATM 1005 C21 DMY F 7 0.859 3.145 -1.666 1.00 0.00 C HETATM 1006 C22 DMY F 7 -0.013 4.355 -1.336 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.113 4.217 -0.618 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.286 5.542 -1.830 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.298 6.348 -1.608 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.101 5.653 -2.434 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.350 3.309 -2.625 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.224 2.266 -1.779 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.455 2.788 0.386 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.632 3.692 -0.547 1.00 0.00 H new HETATM 0 H183 DMY F 7 1.762 -1.019 -1.852 1.00 0.00 H new HETATM 0 H182 DMY F 7 2.700 -0.167 -3.102 1.00 0.00 H new HETATM 0 H181 DMY F 7 2.647 -1.946 -3.087 1.00 0.00 H new HETATM 0 H123 DMY F 7 7.673 -6.843 -2.144 1.00 0.00 H new HETATM 0 H122 DMY F 7 8.712 -5.773 -3.116 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.365 -7.295 -2.463 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.560 5.126 -0.501 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.261 1.016 -1.651 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.355 -2.467 0.624 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.758 -5.006 2.905 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.261 -5.464 7.221 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.960 -3.590 1.535 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.492 -8.478 2.193 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.474 -7.012 1.961 1.00 0.00 H new HETATM 0 H61 DMY F 7 15.908 -8.182 3.230 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.147 -7.478 5.605 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.713 -5.050 4.762 1.00 0.00 H new HETATM 0 H17 DMY F 7 4.774 -2.988 -2.172 1.00 0.00 H new HETATM 0 H15 DMY F 7 6.042 -0.180 0.815 1.00 0.00 H new HETATM 0 H11 DMY F 7 10.798 -6.983 -0.350 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.537 -6.064 9.108 1.00 0.00 H new