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= -0.462 (180deg=-1.08) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= -0.0686 (180deg=-1.1) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ -135:sc= 0.393 (180deg=0.00635) USER MOD Single : B 1 DT C7 :methyl 150:sc=-0.00469 (180deg=-0.00469) USER MOD Single : B 1 DT O5' : rot -32:sc= 0.0453 USER MOD Single : B 6 DT C7 :methyl 150:sc= -0.0219 (180deg=-0.0219) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DMY N8 :NH3+ -166:sc= 0.562 (180deg=0.461) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.185 (180deg=-0.185) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl -30:sc=-0.00192 (180deg=-0.38) 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= -0.28 (180deg=-0.28) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl 150:sc= -0.367 (180deg=-0.367) 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 12.244 19.353 8.323 1.00 0.00 O ATOM 2 C5' DT A 1 12.088 18.416 7.254 1.00 0.00 C ATOM 3 C4' DT A 1 10.732 17.686 7.319 1.00 0.00 C ATOM 4 O4' DT A 1 10.594 16.870 6.132 1.00 0.00 O ATOM 5 C3' DT A 1 10.559 16.754 8.532 1.00 0.00 C ATOM 6 O3' DT A 1 9.262 16.976 9.116 1.00 0.00 O ATOM 7 C2' DT A 1 10.638 15.362 7.914 1.00 0.00 C ATOM 8 C1' DT A 1 10.079 15.576 6.511 1.00 0.00 C ATOM 9 N1 DT A 1 10.489 14.533 5.529 1.00 0.00 N ATOM 10 C2 DT A 1 9.533 13.752 4.899 1.00 0.00 C ATOM 11 O2 DT A 1 8.329 13.956 5.043 1.00 0.00 O ATOM 12 N3 DT A 1 9.886 12.750 4.061 1.00 0.00 N ATOM 13 C4 DT A 1 11.168 12.447 3.737 1.00 0.00 C ATOM 14 O4 DT A 1 11.418 11.578 2.909 1.00 0.00 O ATOM 15 C5 DT A 1 12.296 13.298 4.402 1.00 0.00 C ATOM 16 C7 DT A 1 13.749 13.017 4.081 1.00 0.00 C ATOM 17 C6 DT A 1 11.928 14.280 5.254 1.00 0.00 C ATOM 0 H5' DT A 1 12.895 17.685 7.292 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.174 18.937 6.300 1.00 0.00 H new ATOM 0 H4' DT A 1 9.977 18.468 7.403 1.00 0.00 H new ATOM 0 H3' DT A 1 11.296 16.907 9.320 1.00 0.00 H new ATOM 0 H2' DT A 1 11.662 14.990 7.888 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.050 14.637 8.476 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.116 19.793 8.247 1.00 0.00 H new ATOM 0 H1' DT A 1 8.991 15.515 6.513 1.00 0.00 H new ATOM 0 H3 DT A 1 9.142 12.188 3.647 1.00 0.00 H new ATOM 0 H71 DT A 1 13.872 11.960 3.847 1.00 0.00 H new ATOM 0 H72 DT A 1 14.055 13.617 3.224 1.00 0.00 H new ATOM 0 H73 DT A 1 14.368 13.272 4.941 1.00 0.00 H new ATOM 0 H6 DT A 1 12.682 14.884 5.737 1.00 0.00 H new ATOM 31 P DG A 2 9.010 16.556 10.651 1.00 0.00 P ATOM 32 OP1 DG A 2 9.903 17.461 11.514 1.00 0.00 O ATOM 33 OP2 DG A 2 9.411 15.102 10.789 1.00 0.00 O ATOM 34 O5' DG A 2 7.470 16.740 11.079 1.00 0.00 O ATOM 35 C5' DG A 2 6.444 17.437 10.341 1.00 0.00 C ATOM 36 C4' DG A 2 5.149 16.595 10.210 1.00 0.00 C ATOM 37 O4' DG A 2 5.247 15.767 9.030 1.00 0.00 O ATOM 38 C3' DG A 2 4.834 15.679 11.415 1.00 0.00 C ATOM 39 O3' DG A 2 3.434 15.742 11.753 1.00 0.00 O ATOM 40 C2' DG A 2 5.246 14.302 10.898 1.00 0.00 C ATOM 41 C1' DG A 2 5.038 14.390 9.382 1.00 0.00 C ATOM 42 N9 DG A 2 5.991 13.533 8.618 1.00 0.00 N ATOM 43 C8 DG A 2 7.378 13.517 8.616 1.00 0.00 C ATOM 44 N7 DG A 2 8.099 12.584 7.909 1.00 0.00 N ATOM 45 C5 DG A 2 7.015 11.945 7.337 1.00 0.00 C ATOM 46 C6 DG A 2 7.042 10.808 6.287 1.00 0.00 C ATOM 47 O6 DG A 2 8.080 10.311 5.860 1.00 0.00 O ATOM 48 N1 DG A 2 5.831 10.401 5.830 1.00 0.00 N ATOM 49 C2 DG A 2 4.589 11.021 6.256 1.00 0.00 C ATOM 50 N2 DG A 2 3.409 10.612 5.716 1.00 0.00 N ATOM 51 N3 DG A 2 4.562 11.987 7.100 1.00 0.00 N ATOM 52 C4 DG A 2 5.751 12.505 7.723 1.00 0.00 C ATOM 0 H5' DG A 2 6.817 17.685 9.347 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.215 18.379 10.840 1.00 0.00 H new ATOM 0 H4' DG A 2 4.336 17.319 10.155 1.00 0.00 H new ATOM 0 H3' DG A 2 5.352 15.955 12.334 1.00 0.00 H new ATOM 0 H2' DG A 2 6.284 14.078 11.145 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.636 13.513 11.338 1.00 0.00 H new ATOM 0 H1' DG A 2 4.039 14.035 9.130 1.00 0.00 H new ATOM 0 H8 DG A 2 7.909 14.262 9.189 1.00 0.00 H new ATOM 0 H1 DG A 2 5.792 9.631 5.162 1.00 0.00 H new ATOM 0 H21 DG A 2 2.535 11.045 6.013 1.00 0.00 H new ATOM 0 H22 DG A 2 3.399 9.872 5.014 1.00 0.00 H new ATOM 64 P DG A 3 2.819 15.019 13.070 1.00 0.00 P ATOM 65 OP1 DG A 3 1.814 15.978 13.725 1.00 0.00 O ATOM 66 OP2 DG A 3 3.914 14.733 14.095 1.00 0.00 O ATOM 67 O5' DG A 3 2.086 13.646 12.644 1.00 0.00 O ATOM 68 C5' DG A 3 1.384 13.434 11.387 1.00 0.00 C ATOM 69 C4' DG A 3 1.378 11.946 10.957 1.00 0.00 C ATOM 70 O4' DG A 3 2.565 11.653 10.155 1.00 0.00 O ATOM 71 C3' DG A 3 1.344 10.920 12.131 1.00 0.00 C ATOM 72 O3' DG A 3 0.390 9.852 11.924 1.00 0.00 O ATOM 73 C2' DG A 3 2.735 10.302 11.994 1.00 0.00 C ATOM 74 C1' DG A 3 2.911 10.305 10.483 1.00 0.00 C ATOM 75 N9 DG A 3 4.264 9.868 10.033 1.00 0.00 N ATOM 76 C8 DG A 3 5.554 10.246 10.392 1.00 0.00 C ATOM 77 N7 DG A 3 6.659 9.553 9.935 1.00 0.00 N ATOM 78 C5 DG A 3 5.971 8.620 9.170 1.00 0.00 C ATOM 79 C6 DG A 3 6.561 7.529 8.233 1.00 0.00 C ATOM 80 O6 DG A 3 7.761 7.333 8.106 1.00 0.00 O ATOM 81 N1 DG A 3 5.662 6.803 7.519 1.00 0.00 N ATOM 82 C2 DG A 3 4.236 7.039 7.609 1.00 0.00 C ATOM 83 N2 DG A 3 3.379 6.302 6.851 1.00 0.00 N ATOM 84 N3 DG A 3 3.744 7.938 8.380 1.00 0.00 N ATOM 85 C4 DG A 3 4.555 8.798 9.201 1.00 0.00 C ATOM 0 H5' DG A 3 1.853 14.033 10.607 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.357 13.785 11.484 1.00 0.00 H new ATOM 0 H4' DG A 3 0.452 11.827 10.395 1.00 0.00 H new ATOM 0 H3' DG A 3 1.081 11.387 13.080 1.00 0.00 H new ATOM 0 H2' DG A 3 3.499 10.893 12.499 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.782 9.296 12.412 1.00 0.00 H new ATOM 0 H1' DG A 3 2.292 9.575 9.962 1.00 0.00 H new ATOM 0 H8 DG A 3 5.695 11.098 11.041 1.00 0.00 H new ATOM 0 H1 DG A 3 6.002 6.068 6.899 1.00 0.00 H new ATOM 0 H21 DG A 3 2.374 6.466 6.912 1.00 0.00 H new ATOM 0 H22 DG A 3 3.742 5.586 6.222 1.00 0.00 H new ATOM 97 P DG A 4 -1.067 9.710 12.602 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.013 10.824 12.151 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.003 9.740 14.143 1.00 0.00 O ATOM 100 O5' DG A 4 -1.707 8.280 12.221 1.00 0.00 O ATOM 101 C5' DG A 4 -1.961 7.814 10.865 1.00 0.00 C ATOM 102 C4' DG A 4 -1.446 6.372 10.625 1.00 0.00 C ATOM 103 O4' DG A 4 -0.040 6.404 10.262 1.00 0.00 O ATOM 104 C3' DG A 4 -1.568 5.440 11.862 1.00 0.00 C ATOM 105 O3' DG A 4 -2.109 4.147 11.542 1.00 0.00 O ATOM 106 C2' DG A 4 -0.103 5.274 12.258 1.00 0.00 C ATOM 107 C1' DG A 4 0.559 5.271 10.888 1.00 0.00 C ATOM 108 N9 DG A 4 2.047 5.333 10.932 1.00 0.00 N ATOM 109 C8 DG A 4 2.952 6.029 11.729 1.00 0.00 C ATOM 110 N7 DG A 4 4.308 5.774 11.670 1.00 0.00 N ATOM 111 C5 DG A 4 4.252 4.806 10.677 1.00 0.00 C ATOM 112 C6 DG A 4 5.426 3.991 10.067 1.00 0.00 C ATOM 113 O6 DG A 4 6.589 4.131 10.426 1.00 0.00 O ATOM 114 N1 DG A 4 5.088 3.087 9.108 1.00 0.00 N ATOM 115 C2 DG A 4 3.710 2.870 8.704 1.00 0.00 C ATOM 116 N2 DG A 4 3.396 1.922 7.778 1.00 0.00 N ATOM 117 N3 DG A 4 2.740 3.526 9.219 1.00 0.00 N ATOM 118 C4 DG A 4 2.925 4.540 10.220 1.00 0.00 C ATOM 0 H5' DG A 4 -1.482 8.490 10.157 1.00 0.00 H new ATOM 0 H5'' DG A 4 -3.032 7.851 10.666 1.00 0.00 H new ATOM 0 H4' DG A 4 -2.077 5.973 9.831 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.232 5.849 12.624 1.00 0.00 H new ATOM 0 H2' DG A 4 0.251 6.091 12.887 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.076 4.349 12.806 1.00 0.00 H new ATOM 0 H1' DG A 4 0.400 4.341 10.343 1.00 0.00 H new ATOM 0 H8 DG A 4 2.586 6.785 12.408 1.00 0.00 H new ATOM 0 H1 DG A 4 5.826 2.545 8.659 1.00 0.00 H new ATOM 0 H21 DG A 4 2.424 1.780 7.503 1.00 0.00 H new ATOM 0 H22 DG A 4 4.133 1.354 7.359 1.00 0.00 H new ATOM 130 P DG A 5 -2.779 3.201 12.664 1.00 0.00 P ATOM 131 OP1 DG A 5 -4.153 3.768 13.040 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.955 3.237 13.964 1.00 0.00 O ATOM 133 O5' DG A 5 -2.929 1.682 12.117 1.00 0.00 O ATOM 134 C5' DG A 5 -3.221 1.315 10.731 1.00 0.00 C ATOM 135 C4' DG A 5 -2.463 0.032 10.304 1.00 0.00 C ATOM 136 O4' DG A 5 -1.068 0.380 10.136 1.00 0.00 O ATOM 137 C3' DG A 5 -2.543 -1.122 11.341 1.00 0.00 C ATOM 138 O3' DG A 5 -2.751 -2.431 10.738 1.00 0.00 O ATOM 139 C2' DG A 5 -1.157 -1.033 11.983 1.00 0.00 C ATOM 140 C1' DG A 5 -0.289 -0.606 10.803 1.00 0.00 C ATOM 141 N9 DG A 5 1.053 -0.078 11.188 1.00 0.00 N ATOM 142 C8 DG A 5 1.470 0.885 12.103 1.00 0.00 C ATOM 143 N7 DG A 5 2.811 1.137 12.320 1.00 0.00 N ATOM 144 C5 DG A 5 3.303 0.262 11.361 1.00 0.00 C ATOM 145 C6 DG A 5 4.786 -0.053 11.018 1.00 0.00 C ATOM 146 O6 DG A 5 5.734 0.448 11.614 1.00 0.00 O ATOM 147 N1 DG A 5 4.983 -0.963 10.027 1.00 0.00 N ATOM 148 C2 DG A 5 3.880 -1.616 9.341 1.00 0.00 C ATOM 149 N2 DG A 5 4.117 -2.528 8.356 1.00 0.00 N ATOM 150 N3 DG A 5 2.661 -1.386 9.649 1.00 0.00 N ATOM 151 C4 DG A 5 2.274 -0.446 10.663 1.00 0.00 C ATOM 0 H5' DG A 5 -2.944 2.137 10.071 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.294 1.160 10.614 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.932 -0.328 9.388 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.385 -1.021 12.026 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.129 -0.306 12.795 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.838 -1.988 12.400 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.046 -1.463 10.175 1.00 0.00 H new ATOM 0 H8 DG A 5 0.730 1.446 12.654 1.00 0.00 H new ATOM 0 H1 DG A 5 5.938 -1.196 9.755 1.00 0.00 H new ATOM 0 H21 DG A 5 3.336 -2.980 7.881 1.00 0.00 H new ATOM 0 H22 DG A 5 5.076 -2.758 8.094 1.00 0.00 H new ATOM 163 P DT A 6 -3.375 -3.676 11.580 1.00 0.00 P ATOM 164 OP1 DT A 6 -3.476 -4.952 10.734 1.00 0.00 O ATOM 165 OP2 DT A 6 -4.796 -3.335 12.045 1.00 0.00 O ATOM 166 O5' DT A 6 -2.479 -3.971 12.909 1.00 0.00 O ATOM 167 C5' DT A 6 -1.907 -5.248 13.278 1.00 0.00 C ATOM 168 C4' DT A 6 -0.774 -5.716 12.332 1.00 0.00 C ATOM 169 O4' DT A 6 -0.001 -4.594 11.877 1.00 0.00 O ATOM 170 C3' DT A 6 0.245 -6.656 12.999 1.00 0.00 C ATOM 171 O3' DT A 6 -0.131 -8.028 12.956 1.00 0.00 O ATOM 172 C2' DT A 6 1.502 -6.405 12.171 1.00 0.00 C ATOM 173 C1' DT A 6 1.395 -4.924 11.756 1.00 0.00 C ATOM 174 N1 DT A 6 2.234 -4.020 12.598 1.00 0.00 N ATOM 175 C2 DT A 6 3.565 -3.827 12.279 1.00 0.00 C ATOM 176 O2 DT A 6 4.105 -4.439 11.359 1.00 0.00 O ATOM 177 N3 DT A 6 4.341 -2.977 12.984 1.00 0.00 N ATOM 178 C4 DT A 6 3.909 -2.252 14.045 1.00 0.00 C ATOM 179 O4 DT A 6 4.695 -1.531 14.651 1.00 0.00 O ATOM 180 C5 DT A 6 2.412 -2.421 14.466 1.00 0.00 C ATOM 181 C7 DT A 6 1.828 -1.642 15.629 1.00 0.00 C ATOM 182 C6 DT A 6 1.643 -3.255 13.733 1.00 0.00 C ATOM 0 H5' DT A 6 -2.695 -6.001 13.287 1.00 0.00 H new ATOM 0 H5'' DT A 6 -1.517 -5.182 14.294 1.00 0.00 H new ATOM 0 H4' DT A 6 -1.292 -6.238 11.528 1.00 0.00 H new ATOM 0 H3' DT A 6 0.354 -6.456 14.065 1.00 0.00 H new ATOM 0 H2' DT A 6 2.405 -6.591 12.752 1.00 0.00 H new ATOM 0 H2'' DT A 6 1.543 -7.060 11.301 1.00 0.00 H new ATOM 0 HO3' DT A 6 0.558 -8.570 13.394 1.00 0.00 H new ATOM 0 H1' DT A 6 1.769 -4.785 10.742 1.00 0.00 H new ATOM 0 H3 DT A 6 5.315 -2.873 12.700 1.00 0.00 H new ATOM 0 H71 DT A 6 2.609 -1.444 16.363 1.00 0.00 H new ATOM 0 H72 DT A 6 1.422 -0.697 15.267 1.00 0.00 H new ATOM 0 H73 DT A 6 1.033 -2.224 16.094 1.00 0.00 H new ATOM 0 H6 DT A 6 0.595 -3.368 13.970 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 8.252 7.851 -6.797 1.00 0.00 O ATOM 198 C5' DT B 1 8.051 6.581 -6.182 1.00 0.00 C ATOM 199 C4' DT B 1 9.237 6.247 -5.256 1.00 0.00 C ATOM 200 O4' DT B 1 9.377 7.329 -4.303 1.00 0.00 O ATOM 201 C3' DT B 1 9.035 4.944 -4.448 1.00 0.00 C ATOM 202 O3' DT B 1 10.243 4.172 -4.366 1.00 0.00 O ATOM 203 C2' DT B 1 8.700 5.464 -3.058 1.00 0.00 C ATOM 204 C1' DT B 1 9.496 6.766 -2.983 1.00 0.00 C ATOM 205 N1 DT B 1 9.003 7.729 -1.957 1.00 0.00 N ATOM 206 C2 DT B 1 9.846 8.148 -0.943 1.00 0.00 C ATOM 207 O2 DT B 1 11.023 7.796 -0.893 1.00 0.00 O ATOM 208 N3 DT B 1 9.425 8.984 0.028 1.00 0.00 N ATOM 209 C4 DT B 1 8.181 9.515 0.085 1.00 0.00 C ATOM 210 O4 DT B 1 7.874 10.301 0.973 1.00 0.00 O ATOM 211 C5 DT B 1 7.184 9.126 -1.052 1.00 0.00 C ATOM 212 C7 DT B 1 5.783 9.702 -1.049 1.00 0.00 C ATOM 213 C6 DT B 1 7.608 8.256 -1.995 1.00 0.00 C ATOM 0 H5' DT B 1 7.948 5.811 -6.946 1.00 0.00 H new ATOM 0 H5'' DT B 1 7.123 6.588 -5.610 1.00 0.00 H new ATOM 0 H4' DT B 1 10.114 6.115 -5.889 1.00 0.00 H new ATOM 0 H3' DT B 1 8.282 4.296 -4.897 1.00 0.00 H new ATOM 0 H2' DT B 1 7.630 5.636 -2.937 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.999 4.761 -2.280 1.00 0.00 H new ATOM 0 HO5' DT B 1 8.747 8.436 -6.186 1.00 0.00 H new ATOM 0 H1' DT B 1 10.523 6.563 -2.678 1.00 0.00 H new ATOM 0 H3 DT B 1 10.085 9.232 0.765 1.00 0.00 H new ATOM 0 H71 DT B 1 5.424 9.792 -2.074 1.00 0.00 H new ATOM 0 H72 DT B 1 5.120 9.043 -0.489 1.00 0.00 H new ATOM 0 H73 DT B 1 5.795 10.687 -0.582 1.00 0.00 H new ATOM 0 H6 DT B 1 6.935 7.941 -2.779 1.00 0.00 H new ATOM 227 P DG B 2 10.597 2.999 -5.421 1.00 0.00 P ATOM 228 OP1 DG B 2 11.046 3.639 -6.743 1.00 0.00 O ATOM 229 OP2 DG B 2 9.334 2.190 -5.735 1.00 0.00 O ATOM 230 O5' DG B 2 11.759 2.031 -4.841 1.00 0.00 O ATOM 231 C5' DG B 2 13.169 2.385 -4.749 1.00 0.00 C ATOM 232 C4' DG B 2 13.761 2.296 -3.323 1.00 0.00 C ATOM 233 O4' DG B 2 13.397 3.471 -2.578 1.00 0.00 O ATOM 234 C3' DG B 2 13.331 1.083 -2.466 1.00 0.00 C ATOM 235 O3' DG B 2 14.238 -0.057 -2.472 1.00 0.00 O ATOM 236 C2' DG B 2 13.121 1.665 -1.063 1.00 0.00 C ATOM 237 C1' DG B 2 13.483 3.158 -1.182 1.00 0.00 C ATOM 238 N9 DG B 2 12.551 4.049 -0.432 1.00 0.00 N ATOM 239 C8 DG B 2 11.172 4.148 -0.511 1.00 0.00 C ATOM 240 N7 DG B 2 10.447 4.931 0.355 1.00 0.00 N ATOM 241 C5 DG B 2 11.531 5.465 1.037 1.00 0.00 C ATOM 242 C6 DG B 2 11.507 6.574 2.120 1.00 0.00 C ATOM 243 O6 DG B 2 10.470 7.082 2.535 1.00 0.00 O ATOM 244 N1 DG B 2 12.718 6.990 2.566 1.00 0.00 N ATOM 245 C2 DG B 2 13.964 6.478 2.029 1.00 0.00 C ATOM 246 N2 DG B 2 15.145 6.989 2.475 1.00 0.00 N ATOM 247 N3 DG B 2 13.993 5.582 1.108 1.00 0.00 N ATOM 248 C4 DG B 2 12.798 4.991 0.558 1.00 0.00 C ATOM 0 H5' DG B 2 13.300 3.401 -5.120 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.739 1.729 -5.407 1.00 0.00 H new ATOM 0 H4' DG B 2 14.832 2.190 -3.499 1.00 0.00 H new ATOM 0 H3' DG B 2 12.431 0.634 -2.886 1.00 0.00 H new ATOM 0 H2' DG B 2 12.090 1.536 -0.734 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.754 1.164 -0.331 1.00 0.00 H new ATOM 0 H1' DG B 2 14.473 3.323 -0.758 1.00 0.00 H new ATOM 0 H8 DG B 2 10.650 3.593 -1.277 1.00 0.00 H new ATOM 0 H1 DG B 2 12.754 7.690 3.307 1.00 0.00 H new ATOM 0 H21 DG B 2 16.027 6.635 2.103 1.00 0.00 H new ATOM 0 H22 DG B 2 15.148 7.725 3.181 1.00 0.00 H new ATOM 260 P DG B 3 15.834 -0.033 -2.179 1.00 0.00 P ATOM 261 OP1 DG B 3 16.582 0.062 -3.519 1.00 0.00 O ATOM 262 OP2 DG B 3 16.256 -1.337 -1.498 1.00 0.00 O ATOM 263 O5' DG B 3 16.198 1.263 -1.272 1.00 0.00 O ATOM 264 C5' DG B 3 17.353 1.423 -0.419 1.00 0.00 C ATOM 265 C4' DG B 3 16.979 1.538 1.079 1.00 0.00 C ATOM 266 O4' DG B 3 15.817 2.372 1.330 1.00 0.00 O ATOM 267 C3' DG B 3 16.666 0.197 1.775 1.00 0.00 C ATOM 268 O3' DG B 3 17.854 -0.470 2.298 1.00 0.00 O ATOM 269 C2' DG B 3 15.595 0.567 2.809 1.00 0.00 C ATOM 270 C1' DG B 3 15.472 2.087 2.696 1.00 0.00 C ATOM 271 N9 DG B 3 14.125 2.592 3.101 1.00 0.00 N ATOM 272 C8 DG B 3 12.833 2.278 2.696 1.00 0.00 C ATOM 273 N7 DG B 3 11.726 2.809 3.329 1.00 0.00 N ATOM 274 C5 DG B 3 12.419 3.594 4.242 1.00 0.00 C ATOM 275 C6 DG B 3 11.838 4.588 5.286 1.00 0.00 C ATOM 276 O6 DG B 3 10.635 4.759 5.442 1.00 0.00 O ATOM 277 N1 DG B 3 12.751 5.283 6.015 1.00 0.00 N ATOM 278 C2 DG B 3 14.183 5.124 5.819 1.00 0.00 C ATOM 279 N2 DG B 3 15.064 5.845 6.559 1.00 0.00 N ATOM 280 N3 DG B 3 14.657 4.316 4.947 1.00 0.00 N ATOM 281 C4 DG B 3 13.838 3.495 4.107 1.00 0.00 C ATOM 0 H5' DG B 3 17.902 2.315 -0.722 1.00 0.00 H new ATOM 0 H5'' DG B 3 18.022 0.574 -0.558 1.00 0.00 H new ATOM 0 H4' DG B 3 17.888 1.978 1.489 1.00 0.00 H new ATOM 0 H3' DG B 3 16.293 -0.568 1.094 1.00 0.00 H new ATOM 0 H2' DG B 3 14.647 0.074 2.594 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.891 0.265 3.814 1.00 0.00 H new ATOM 0 H1' DG B 3 16.134 2.609 3.386 1.00 0.00 H new ATOM 0 H8 DG B 3 12.691 1.602 1.866 1.00 0.00 H new ATOM 0 H1 DG B 3 12.420 5.938 6.723 1.00 0.00 H new ATOM 0 H21 DG B 3 16.067 5.727 6.415 1.00 0.00 H new ATOM 0 H22 DG B 3 14.723 6.504 7.259 1.00 0.00 H new ATOM 293 P DG B 4 18.590 -0.291 3.743 1.00 0.00 P ATOM 294 OP1 DG B 4 20.048 -0.745 3.587 1.00 0.00 O ATOM 295 OP2 DG B 4 17.930 -1.197 4.797 1.00 0.00 O ATOM 296 O5' DG B 4 18.544 1.259 4.209 1.00 0.00 O ATOM 297 C5' DG B 4 19.389 1.864 5.228 1.00 0.00 C ATOM 298 C4' DG B 4 18.723 1.994 6.619 1.00 0.00 C ATOM 299 O4' DG B 4 17.340 2.441 6.532 1.00 0.00 O ATOM 300 C3' DG B 4 18.720 0.695 7.471 1.00 0.00 C ATOM 301 O3' DG B 4 19.482 0.826 8.692 1.00 0.00 O ATOM 302 C2' DG B 4 17.244 0.564 7.831 1.00 0.00 C ATOM 303 C1' DG B 4 16.751 1.995 7.750 1.00 0.00 C ATOM 304 N9 DG B 4 15.265 2.069 7.779 1.00 0.00 N ATOM 305 C8 DG B 4 14.284 1.487 6.994 1.00 0.00 C ATOM 306 N7 DG B 4 12.945 1.643 7.282 1.00 0.00 N ATOM 307 C5 DG B 4 13.108 2.470 8.383 1.00 0.00 C ATOM 308 C6 DG B 4 12.010 3.085 9.292 1.00 0.00 C ATOM 309 O6 DG B 4 10.814 2.911 9.100 1.00 0.00 O ATOM 310 N1 DG B 4 12.453 3.819 10.346 1.00 0.00 N ATOM 311 C2 DG B 4 13.867 3.980 10.630 1.00 0.00 C ATOM 312 N2 DG B 4 14.279 4.608 11.759 1.00 0.00 N ATOM 313 N3 DG B 4 14.773 3.497 9.870 1.00 0.00 N ATOM 314 C4 DG B 4 14.477 2.724 8.700 1.00 0.00 C ATOM 0 H5' DG B 4 19.691 2.855 4.890 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.298 1.270 5.328 1.00 0.00 H new ATOM 0 H4' DG B 4 19.352 2.734 7.114 1.00 0.00 H new ATOM 0 H3' DG B 4 19.160 -0.148 6.937 1.00 0.00 H new ATOM 0 H2' DG B 4 16.714 -0.086 7.135 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.106 0.144 8.828 1.00 0.00 H new ATOM 0 H1' DG B 4 17.032 2.623 8.595 1.00 0.00 H new ATOM 0 H8 DG B 4 14.574 0.898 6.137 1.00 0.00 H new ATOM 0 H1 DG B 4 11.771 4.270 10.956 1.00 0.00 H new ATOM 0 H21 DG B 4 15.276 4.715 11.948 1.00 0.00 H new ATOM 0 H22 DG B 4 13.592 4.973 12.419 1.00 0.00 H new ATOM 326 P DG B 5 19.849 -0.417 9.666 1.00 0.00 P ATOM 327 OP1 DG B 5 21.240 -0.962 9.323 1.00 0.00 O ATOM 328 OP2 DG B 5 18.838 -1.576 9.486 1.00 0.00 O ATOM 329 O5' DG B 5 19.836 0.051 11.216 1.00 0.00 O ATOM 330 C5' DG B 5 20.179 1.379 11.717 1.00 0.00 C ATOM 331 C4' DG B 5 19.329 1.734 12.966 1.00 0.00 C ATOM 332 O4' DG B 5 17.975 2.002 12.517 1.00 0.00 O ATOM 333 C3' DG B 5 19.249 0.592 14.028 1.00 0.00 C ATOM 334 O3' DG B 5 19.345 1.054 15.407 1.00 0.00 O ATOM 335 C2' DG B 5 17.853 0.040 13.736 1.00 0.00 C ATOM 336 C1' DG B 5 17.097 1.319 13.403 1.00 0.00 C ATOM 337 N9 DG B 5 15.757 1.062 12.812 1.00 0.00 N ATOM 338 C8 DG B 5 15.338 0.331 11.708 1.00 0.00 C ATOM 339 N7 DG B 5 13.996 0.160 11.424 1.00 0.00 N ATOM 340 C5 DG B 5 13.510 0.949 12.463 1.00 0.00 C ATOM 341 C6 DG B 5 12.031 1.283 12.804 1.00 0.00 C ATOM 342 O6 DG B 5 11.083 0.808 12.188 1.00 0.00 O ATOM 343 N1 DG B 5 11.839 2.119 13.861 1.00 0.00 N ATOM 344 C2 DG B 5 12.944 2.632 14.652 1.00 0.00 C ATOM 345 N2 DG B 5 12.714 3.419 15.745 1.00 0.00 N ATOM 346 N3 DG B 5 14.160 2.346 14.381 1.00 0.00 N ATOM 347 C4 DG B 5 14.540 1.504 13.283 1.00 0.00 C ATOM 0 H5' DG B 5 20.013 2.121 10.936 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.238 1.414 11.971 1.00 0.00 H new ATOM 0 H4' DG B 5 19.809 2.588 13.444 1.00 0.00 H new ATOM 0 H3' DG B 5 20.072 -0.119 13.950 1.00 0.00 H new ATOM 0 H2' DG B 5 17.854 -0.666 12.906 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.427 -0.479 14.595 1.00 0.00 H new ATOM 0 H1' DG B 5 16.862 1.908 14.290 1.00 0.00 H new ATOM 0 H8 DG B 5 16.077 -0.113 11.057 1.00 0.00 H new ATOM 0 H1 DG B 5 10.888 2.394 14.106 1.00 0.00 H new ATOM 0 H21 DG B 5 13.498 3.773 16.293 1.00 0.00 H new ATOM 0 H22 DG B 5 11.758 3.652 16.013 1.00 0.00 H new ATOM 359 P DT B 6 19.194 0.068 16.703 1.00 0.00 P ATOM 360 OP1 DT B 6 20.124 0.532 17.834 1.00 0.00 O ATOM 361 OP2 DT B 6 19.608 -1.365 16.345 1.00 0.00 O ATOM 362 O5' DT B 6 17.661 0.055 17.252 1.00 0.00 O ATOM 363 C5' DT B 6 17.005 1.259 17.724 1.00 0.00 C ATOM 364 C4' DT B 6 15.522 1.055 18.108 1.00 0.00 C ATOM 365 O4' DT B 6 14.732 0.691 16.964 1.00 0.00 O ATOM 366 C3' DT B 6 15.212 -0.018 19.177 1.00 0.00 C ATOM 367 O3' DT B 6 14.834 0.572 20.419 1.00 0.00 O ATOM 368 C2' DT B 6 14.013 -0.777 18.599 1.00 0.00 C ATOM 369 C1' DT B 6 13.520 0.116 17.456 1.00 0.00 C ATOM 370 N1 DT B 6 12.771 -0.631 16.409 1.00 0.00 N ATOM 371 C2 DT B 6 11.392 -0.541 16.350 1.00 0.00 C ATOM 372 O2 DT B 6 10.741 0.100 17.175 1.00 0.00 O ATOM 373 N3 DT B 6 10.692 -1.191 15.396 1.00 0.00 N ATOM 374 C4 DT B 6 11.246 -1.993 14.454 1.00 0.00 C ATOM 375 O4 DT B 6 10.518 -2.596 13.669 1.00 0.00 O ATOM 376 C5 DT B 6 12.804 -2.145 14.466 1.00 0.00 C ATOM 377 C7 DT B 6 13.498 -3.035 13.451 1.00 0.00 C ATOM 378 C6 DT B 6 13.498 -1.449 15.400 1.00 0.00 C ATOM 0 H5' DT B 6 17.068 2.023 16.949 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.545 1.639 18.591 1.00 0.00 H new ATOM 0 H4' DT B 6 15.272 2.029 18.530 1.00 0.00 H new ATOM 0 H3' DT B 6 16.080 -0.646 19.380 1.00 0.00 H new ATOM 0 H2' DT B 6 14.303 -1.764 18.237 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.237 -0.928 19.350 1.00 0.00 H new ATOM 0 HO3' DT B 6 14.643 -0.134 21.072 1.00 0.00 H new ATOM 0 H1' DT B 6 12.794 0.859 17.785 1.00 0.00 H new ATOM 0 H3 DT B 6 9.679 -1.071 15.383 1.00 0.00 H new ATOM 0 H71 DT B 6 14.494 -2.643 13.244 1.00 0.00 H new ATOM 0 H72 DT B 6 13.582 -4.046 13.850 1.00 0.00 H new ATOM 0 H73 DT B 6 12.918 -3.056 12.529 1.00 0.00 H new ATOM 0 H6 DT B 6 14.577 -1.488 15.412 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 19.586 7.119 -1.493 1.00 0.00 O ATOM 394 C5' DT E 1 19.109 7.019 -0.150 1.00 0.00 C ATOM 395 C4' DT E 1 19.350 8.320 0.639 1.00 0.00 C ATOM 396 O4' DT E 1 18.696 9.445 -0.008 1.00 0.00 O ATOM 397 C3' DT E 1 18.798 8.261 2.069 1.00 0.00 C ATOM 398 O3' DT E 1 19.791 7.909 3.043 1.00 0.00 O ATOM 399 C2' DT E 1 18.391 9.698 2.311 1.00 0.00 C ATOM 400 C1' DT E 1 17.905 10.193 0.950 1.00 0.00 C ATOM 401 N1 DT E 1 16.429 10.066 0.727 1.00 0.00 N ATOM 402 C2 DT E 1 15.550 10.786 1.526 1.00 0.00 C ATOM 403 O2 DT E 1 15.938 11.588 2.371 1.00 0.00 O ATOM 404 N3 DT E 1 14.210 10.663 1.367 1.00 0.00 N ATOM 405 C4 DT E 1 13.623 9.915 0.413 1.00 0.00 C ATOM 406 O4 DT E 1 12.400 9.972 0.309 1.00 0.00 O ATOM 407 C5 DT E 1 14.545 9.101 -0.546 1.00 0.00 C ATOM 408 C7 DT E 1 13.968 8.229 -1.644 1.00 0.00 C ATOM 409 C6 DT E 1 15.886 9.175 -0.335 1.00 0.00 C ATOM 0 H5' DT E 1 19.608 6.191 0.353 1.00 0.00 H new ATOM 0 H5'' DT E 1 18.043 6.791 -0.158 1.00 0.00 H new ATOM 0 H4' DT E 1 20.433 8.442 0.667 1.00 0.00 H new ATOM 0 H3' DT E 1 18.010 7.514 2.163 1.00 0.00 H new ATOM 0 H2' DT E 1 17.604 9.766 3.062 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.230 10.292 2.673 1.00 0.00 H new ATOM 0 HO5' DT E 1 19.418 6.276 -1.963 1.00 0.00 H new ATOM 0 H1' DT E 1 18.047 11.270 0.855 1.00 0.00 H new ATOM 0 H3 DT E 1 13.605 11.171 2.013 1.00 0.00 H new ATOM 0 H71 DT E 1 14.667 8.186 -2.480 1.00 0.00 H new ATOM 0 H72 DT E 1 13.800 7.223 -1.259 1.00 0.00 H new ATOM 0 H73 DT E 1 13.022 8.650 -1.984 1.00 0.00 H new ATOM 0 H6 DT E 1 16.559 8.586 -0.940 1.00 0.00 H new ATOM 423 P DG E 2 19.389 7.174 4.438 1.00 0.00 P ATOM 424 OP1 DG E 2 20.083 5.819 4.430 1.00 0.00 O ATOM 425 OP2 DG E 2 17.868 7.060 4.498 1.00 0.00 O ATOM 426 O5' DG E 2 19.915 8.087 5.679 1.00 0.00 O ATOM 427 C5' DG E 2 19.731 9.518 5.766 1.00 0.00 C ATOM 428 C4' DG E 2 18.957 10.031 7.009 1.00 0.00 C ATOM 429 O4' DG E 2 17.879 10.931 6.621 1.00 0.00 O ATOM 430 C3' DG E 2 18.360 8.996 7.971 1.00 0.00 C ATOM 431 O3' DG E 2 19.291 8.725 9.030 1.00 0.00 O ATOM 432 C2' DG E 2 17.151 9.725 8.536 1.00 0.00 C ATOM 433 C1' DG E 2 16.711 10.690 7.441 1.00 0.00 C ATOM 434 N9 DG E 2 15.564 10.167 6.639 1.00 0.00 N ATOM 435 C8 DG E 2 15.555 9.300 5.550 1.00 0.00 C ATOM 436 N7 DG E 2 14.380 8.858 4.990 1.00 0.00 N ATOM 437 C5 DG E 2 13.520 9.464 5.882 1.00 0.00 C ATOM 438 C6 DG E 2 11.971 9.466 5.837 1.00 0.00 C ATOM 439 O6 DG E 2 11.322 8.847 5.004 1.00 0.00 O ATOM 440 N1 DG E 2 11.355 10.253 6.752 1.00 0.00 N ATOM 441 C2 DG E 2 12.087 11.064 7.698 1.00 0.00 C ATOM 442 N2 DG E 2 11.398 11.889 8.535 1.00 0.00 N ATOM 443 N3 DG E 2 13.376 11.081 7.737 1.00 0.00 N ATOM 444 C4 DG E 2 14.190 10.273 6.857 1.00 0.00 C ATOM 0 H5' DG E 2 19.204 9.851 4.872 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.713 9.992 5.753 1.00 0.00 H new ATOM 0 H4' DG E 2 19.755 10.522 7.566 1.00 0.00 H new ATOM 0 H3' DG E 2 18.121 8.045 7.496 1.00 0.00 H new ATOM 0 H2' DG E 2 16.353 9.026 8.787 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.407 10.259 9.451 1.00 0.00 H new ATOM 0 H1' DG E 2 16.339 11.617 7.878 1.00 0.00 H new ATOM 0 H8 DG E 2 16.494 8.966 5.135 1.00 0.00 H new ATOM 0 H1 DG E 2 10.335 10.274 6.774 1.00 0.00 H new ATOM 0 H21 DG E 2 11.900 12.468 9.208 1.00 0.00 H new ATOM 0 H22 DG E 2 10.380 11.928 8.488 1.00 0.00 H new ATOM 456 P DG E 3 19.176 7.403 9.963 1.00 0.00 P ATOM 457 OP1 DG E 3 20.602 6.975 10.321 1.00 0.00 O ATOM 458 OP2 DG E 3 18.401 6.310 9.249 1.00 0.00 O ATOM 459 O5' DG E 3 18.395 7.791 11.311 1.00 0.00 O ATOM 460 C5' DG E 3 18.499 9.036 12.019 1.00 0.00 C ATOM 461 C4' DG E 3 17.174 9.315 12.761 1.00 0.00 C ATOM 462 O4' DG E 3 16.118 9.526 11.786 1.00 0.00 O ATOM 463 C3' DG E 3 16.736 8.156 13.679 1.00 0.00 C ATOM 464 O3' DG E 3 16.160 8.637 14.908 1.00 0.00 O ATOM 465 C2' DG E 3 15.650 7.502 12.844 1.00 0.00 C ATOM 466 C1' DG E 3 15.000 8.696 12.146 1.00 0.00 C ATOM 467 N9 DG E 3 14.191 8.304 10.955 1.00 0.00 N ATOM 468 C8 DG E 3 14.504 7.440 9.909 1.00 0.00 C ATOM 469 N7 DG E 3 13.550 7.004 9.027 1.00 0.00 N ATOM 470 C5 DG E 3 12.478 7.648 9.597 1.00 0.00 C ATOM 471 C6 DG E 3 10.998 7.540 9.172 1.00 0.00 C ATOM 472 O6 DG E 3 10.625 6.842 8.237 1.00 0.00 O ATOM 473 N1 DG E 3 10.122 8.291 9.883 1.00 0.00 N ATOM 474 C2 DG E 3 10.541 9.153 10.969 1.00 0.00 C ATOM 475 N2 DG E 3 9.617 9.954 11.580 1.00 0.00 N ATOM 476 N3 DG E 3 11.766 9.217 11.357 1.00 0.00 N ATOM 477 C4 DG E 3 12.826 8.465 10.720 1.00 0.00 C ATOM 0 H5' DG E 3 18.717 9.846 11.323 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.325 8.996 12.729 1.00 0.00 H new ATOM 0 H4' DG E 3 17.345 10.194 13.382 1.00 0.00 H new ATOM 0 H3' DG E 3 17.561 7.506 13.969 1.00 0.00 H new ATOM 0 H2' DG E 3 16.062 6.790 12.129 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.937 6.957 13.462 1.00 0.00 H new ATOM 0 H1' DG E 3 14.282 9.204 12.790 1.00 0.00 H new ATOM 0 H8 DG E 3 15.524 7.105 9.790 1.00 0.00 H new ATOM 0 H1 DG E 3 9.131 8.248 9.645 1.00 0.00 H new ATOM 0 H21 DG E 3 9.899 10.566 12.346 1.00 0.00 H new ATOM 0 H22 DG E 3 8.645 9.940 11.270 1.00 0.00 H new ATOM 489 P DG E 4 16.267 7.764 16.264 1.00 0.00 P ATOM 490 OP1 DG E 4 17.550 8.185 16.995 1.00 0.00 O ATOM 491 OP2 DG E 4 16.315 6.276 15.942 1.00 0.00 O ATOM 492 O5' DG E 4 15.000 8.034 17.213 1.00 0.00 O ATOM 493 C5' DG E 4 14.368 9.306 17.453 1.00 0.00 C ATOM 494 C4' DG E 4 12.856 9.115 17.735 1.00 0.00 C ATOM 495 O4' DG E 4 12.163 8.971 16.470 1.00 0.00 O ATOM 496 C3' DG E 4 12.515 7.873 18.595 1.00 0.00 C ATOM 497 O3' DG E 4 11.453 8.127 19.540 1.00 0.00 O ATOM 498 C2' DG E 4 12.027 6.898 17.533 1.00 0.00 C ATOM 499 C1' DG E 4 11.327 7.813 16.525 1.00 0.00 C ATOM 500 N9 DG E 4 11.192 7.193 15.177 1.00 0.00 N ATOM 501 C8 DG E 4 12.164 6.642 14.354 1.00 0.00 C ATOM 502 N7 DG E 4 11.837 5.931 13.225 1.00 0.00 N ATOM 503 C5 DG E 4 10.470 6.086 13.318 1.00 0.00 C ATOM 504 C6 DG E 4 9.392 5.502 12.372 1.00 0.00 C ATOM 505 O6 DG E 4 9.655 4.782 11.418 1.00 0.00 O ATOM 506 N1 DG E 4 8.110 5.828 12.665 1.00 0.00 N ATOM 507 C2 DG E 4 7.763 6.662 13.796 1.00 0.00 C ATOM 508 N2 DG E 4 6.459 6.967 14.022 1.00 0.00 N ATOM 509 N3 DG E 4 8.646 7.120 14.611 1.00 0.00 N ATOM 510 C4 DG E 4 10.057 6.866 14.446 1.00 0.00 C ATOM 0 H5' DG E 4 14.504 9.955 16.588 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.843 9.801 18.300 1.00 0.00 H new ATOM 0 H4' DG E 4 12.543 9.994 18.299 1.00 0.00 H new ATOM 0 H3' DG E 4 13.357 7.533 19.198 1.00 0.00 H new ATOM 0 H2' DG E 4 12.852 6.351 17.077 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.344 6.157 17.948 1.00 0.00 H new ATOM 0 H1' DG E 4 10.304 8.032 16.831 1.00 0.00 H new ATOM 0 H8 DG E 4 13.205 6.776 14.608 1.00 0.00 H new ATOM 0 H1 DG E 4 7.363 5.473 12.068 1.00 0.00 H new ATOM 0 H21 DG E 4 6.203 7.554 14.816 1.00 0.00 H new ATOM 0 H22 DG E 4 5.736 6.609 13.398 1.00 0.00 H new ATOM 522 P DG E 5 11.246 7.229 20.876 1.00 0.00 P ATOM 523 OP1 DG E 5 11.655 8.052 22.106 1.00 0.00 O ATOM 524 OP2 DG E 5 12.106 5.963 20.840 1.00 0.00 O ATOM 525 O5' DG E 5 9.703 6.778 21.021 1.00 0.00 O ATOM 526 C5' DG E 5 8.552 7.632 20.812 1.00 0.00 C ATOM 527 C4' DG E 5 7.348 6.815 20.283 1.00 0.00 C ATOM 528 O4' DG E 5 7.554 6.509 18.872 1.00 0.00 O ATOM 529 C3' DG E 5 7.117 5.469 21.020 1.00 0.00 C ATOM 530 O3' DG E 5 5.714 5.153 21.204 1.00 0.00 O ATOM 531 C2' DG E 5 7.672 4.488 19.989 1.00 0.00 C ATOM 532 C1' DG E 5 7.216 5.133 18.681 1.00 0.00 C ATOM 533 N9 DG E 5 7.831 4.536 17.458 1.00 0.00 N ATOM 534 C8 DG E 5 9.152 4.246 17.143 1.00 0.00 C ATOM 535 N7 DG E 5 9.487 3.525 16.020 1.00 0.00 N ATOM 536 C5 DG E 5 8.205 3.372 15.526 1.00 0.00 C ATOM 537 C6 DG E 5 7.764 2.602 14.252 1.00 0.00 C ATOM 538 O6 DG E 5 8.542 1.992 13.530 1.00 0.00 O ATOM 539 N1 DG E 5 6.434 2.617 13.982 1.00 0.00 N ATOM 540 C2 DG E 5 5.481 3.297 14.830 1.00 0.00 C ATOM 541 N2 DG E 5 4.156 3.281 14.507 1.00 0.00 N ATOM 542 N3 DG E 5 5.829 3.893 15.915 1.00 0.00 N ATOM 543 C4 DG E 5 7.205 3.989 16.344 1.00 0.00 C ATOM 0 H5' DG E 5 8.803 8.420 20.102 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.282 8.121 21.748 1.00 0.00 H new ATOM 0 H4' DG E 5 6.472 7.440 20.455 1.00 0.00 H new ATOM 0 H3' DG E 5 7.560 5.462 22.016 1.00 0.00 H new ATOM 0 H2' DG E 5 8.757 4.401 20.047 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.265 3.485 20.116 1.00 0.00 H new ATOM 0 H1' DG E 5 6.155 4.975 18.490 1.00 0.00 H new ATOM 0 H8 DG E 5 9.937 4.596 17.797 1.00 0.00 H new ATOM 0 H1 DG E 5 6.095 2.131 13.152 1.00 0.00 H new ATOM 0 H21 DG E 5 3.480 3.759 15.103 1.00 0.00 H new ATOM 0 H22 DG E 5 3.841 2.791 13.670 1.00 0.00 H new ATOM 555 P DT E 6 4.840 5.471 22.523 1.00 0.00 P ATOM 556 OP1 DT E 6 4.199 6.862 22.447 1.00 0.00 O ATOM 557 OP2 DT E 6 5.686 5.387 23.797 1.00 0.00 O ATOM 558 O5' DT E 6 3.648 4.373 22.655 1.00 0.00 O ATOM 559 C5' DT E 6 2.500 4.364 21.782 1.00 0.00 C ATOM 560 C4' DT E 6 2.376 3.074 20.954 1.00 0.00 C ATOM 561 O4' DT E 6 3.466 2.919 20.031 1.00 0.00 O ATOM 562 C3' DT E 6 2.343 1.750 21.737 1.00 0.00 C ATOM 563 O3' DT E 6 1.009 1.341 22.022 1.00 0.00 O ATOM 564 C2' DT E 6 3.014 0.749 20.786 1.00 0.00 C ATOM 565 C1' DT E 6 3.381 1.578 19.543 1.00 0.00 C ATOM 566 N1 DT E 6 4.624 1.157 18.836 1.00 0.00 N ATOM 567 C2 DT E 6 4.564 0.799 17.498 1.00 0.00 C ATOM 568 O2 DT E 6 3.516 0.815 16.862 1.00 0.00 O ATOM 569 N3 DT E 6 5.670 0.388 16.838 1.00 0.00 N ATOM 570 C4 DT E 6 6.901 0.308 17.385 1.00 0.00 C ATOM 571 O4 DT E 6 7.820 -0.155 16.715 1.00 0.00 O ATOM 572 C5 DT E 6 7.063 0.769 18.869 1.00 0.00 C ATOM 573 C7 DT E 6 8.432 0.761 19.524 1.00 0.00 C ATOM 574 C6 DT E 6 5.942 1.177 19.525 1.00 0.00 C ATOM 0 H5' DT E 6 2.559 5.217 21.106 1.00 0.00 H new ATOM 0 H5'' DT E 6 1.597 4.493 22.379 1.00 0.00 H new ATOM 0 H4' DT E 6 1.409 3.227 20.475 1.00 0.00 H new ATOM 0 H3' DT E 6 2.841 1.832 22.703 1.00 0.00 H new ATOM 0 H2' DT E 6 3.899 0.303 21.240 1.00 0.00 H new ATOM 0 H2'' DT E 6 2.340 -0.069 20.532 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.025 0.496 22.518 1.00 0.00 H new ATOM 0 H1' DT E 6 2.628 1.444 18.767 1.00 0.00 H new ATOM 0 H3 DT E 6 5.567 0.120 15.859 1.00 0.00 H new ATOM 0 H71 DT E 6 9.041 -0.030 19.085 1.00 0.00 H new ATOM 0 H72 DT E 6 8.917 1.724 19.364 1.00 0.00 H new ATOM 0 H73 DT E 6 8.322 0.583 20.594 1.00 0.00 H new ATOM 0 H6 DT E 6 6.010 1.516 20.548 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.739 15.058 4.530 1.00 0.00 O ATOM 590 C5' DT F 1 -0.226 13.743 4.747 1.00 0.00 C ATOM 591 C4' DT F 1 -0.266 12.931 3.440 1.00 0.00 C ATOM 592 O4' DT F 1 0.651 13.469 2.451 1.00 0.00 O ATOM 593 C3' DT F 1 0.116 11.461 3.621 1.00 0.00 C ATOM 594 O3' DT F 1 -1.028 10.641 3.878 1.00 0.00 O ATOM 595 C2' DT F 1 0.667 11.128 2.250 1.00 0.00 C ATOM 596 C1' DT F 1 1.424 12.395 1.847 1.00 0.00 C ATOM 597 N1 DT F 1 2.874 12.422 2.230 1.00 0.00 N ATOM 598 C2 DT F 1 3.750 11.483 1.694 1.00 0.00 C ATOM 599 O2 DT F 1 3.393 10.648 0.868 1.00 0.00 O ATOM 600 N3 DT F 1 5.063 11.491 2.033 1.00 0.00 N ATOM 601 C4 DT F 1 5.641 12.412 2.829 1.00 0.00 C ATOM 602 O4 DT F 1 6.857 12.369 3.000 1.00 0.00 O ATOM 603 C5 DT F 1 4.733 13.527 3.426 1.00 0.00 C ATOM 604 C7 DT F 1 5.316 14.618 4.300 1.00 0.00 C ATOM 605 C6 DT F 1 3.402 13.468 3.149 1.00 0.00 C ATOM 0 H5' DT F 1 -0.813 13.239 5.515 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.798 13.801 5.116 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.303 13.003 3.113 1.00 0.00 H new ATOM 0 H3' DT F 1 0.795 11.294 4.457 1.00 0.00 H new ATOM 0 H2' DT F 1 1.326 10.261 2.283 1.00 0.00 H new ATOM 0 H2'' DT F 1 -0.130 10.896 1.544 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.709 15.563 5.369 1.00 0.00 H new ATOM 0 H1' DT F 1 1.493 12.478 0.762 1.00 0.00 H new ATOM 0 H3 DT F 1 5.654 10.748 1.660 1.00 0.00 H new ATOM 0 H71 DT F 1 4.729 15.529 4.184 1.00 0.00 H new ATOM 0 H72 DT F 1 5.292 14.301 5.343 1.00 0.00 H new ATOM 0 H73 DT F 1 6.347 14.810 4.003 1.00 0.00 H new ATOM 0 H6 DT F 1 2.727 14.182 3.597 1.00 0.00 H new ATOM 619 P DG F 2 -0.910 9.264 4.728 1.00 0.00 P ATOM 620 OP1 DG F 2 -1.862 9.396 5.911 1.00 0.00 O ATOM 621 OP2 DG F 2 0.535 9.075 5.171 1.00 0.00 O ATOM 622 O5' DG F 2 -1.363 8.021 3.798 1.00 0.00 O ATOM 623 C5' DG F 2 -1.344 7.992 2.356 1.00 0.00 C ATOM 624 C4' DG F 2 -0.432 6.906 1.736 1.00 0.00 C ATOM 625 O4' DG F 2 0.810 7.432 1.215 1.00 0.00 O ATOM 626 C3' DG F 2 -0.102 5.692 2.611 1.00 0.00 C ATOM 627 O3' DG F 2 -1.184 4.751 2.454 1.00 0.00 O ATOM 628 C2' DG F 2 1.223 5.214 2.017 1.00 0.00 C ATOM 629 C1' DG F 2 1.850 6.434 1.338 1.00 0.00 C ATOM 630 N9 DG F 2 3.017 6.975 2.089 1.00 0.00 N ATOM 631 C8 DG F 2 3.055 7.935 3.093 1.00 0.00 C ATOM 632 N7 DG F 2 4.241 8.356 3.639 1.00 0.00 N ATOM 633 C5 DG F 2 5.071 7.509 2.939 1.00 0.00 C ATOM 634 C6 DG F 2 6.619 7.471 2.978 1.00 0.00 C ATOM 635 O6 DG F 2 7.295 8.222 3.668 1.00 0.00 O ATOM 636 N1 DG F 2 7.210 6.583 2.143 1.00 0.00 N ATOM 637 C2 DG F 2 6.452 5.736 1.253 1.00 0.00 C ATOM 638 N2 DG F 2 7.117 4.858 0.453 1.00 0.00 N ATOM 639 N3 DG F 2 5.167 5.806 1.160 1.00 0.00 N ATOM 640 C4 DG F 2 4.377 6.670 2.009 1.00 0.00 C ATOM 0 H5' DG F 2 -1.021 8.967 1.992 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.362 7.839 1.997 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.071 6.546 0.930 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.003 5.865 3.683 1.00 0.00 H new ATOM 0 H2' DG F 2 1.879 4.821 2.794 1.00 0.00 H new ATOM 0 H2'' DG F 2 1.061 4.410 1.300 1.00 0.00 H new ATOM 0 H1' DG F 2 2.240 6.145 0.362 1.00 0.00 H new ATOM 0 H8 DG F 2 2.129 8.360 3.452 1.00 0.00 H new ATOM 0 H1 DG F 2 8.227 6.510 2.143 1.00 0.00 H new ATOM 0 H21 DG F 2 6.597 4.252 -0.182 1.00 0.00 H new ATOM 0 H22 DG F 2 8.135 4.806 0.488 1.00 0.00 H new ATOM 652 P DG F 3 -1.105 3.187 2.826 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.534 2.666 2.995 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.257 2.972 4.069 1.00 0.00 O ATOM 655 O5' DG F 3 -0.462 2.450 1.530 1.00 0.00 O ATOM 656 C5' DG F 3 -0.244 1.025 1.460 1.00 0.00 C ATOM 657 C4' DG F 3 1.147 0.566 1.957 1.00 0.00 C ATOM 658 O4' DG F 3 2.149 1.604 1.997 1.00 0.00 O ATOM 659 C3' DG F 3 1.133 -0.030 3.373 1.00 0.00 C ATOM 660 O3' DG F 3 0.679 -1.412 3.452 1.00 0.00 O ATOM 661 C2' DG F 3 2.572 0.161 3.849 1.00 0.00 C ATOM 662 C1' DG F 3 3.231 1.087 2.806 1.00 0.00 C ATOM 663 N9 DG F 3 4.026 2.190 3.427 1.00 0.00 N ATOM 664 C8 DG F 3 3.633 3.148 4.355 1.00 0.00 C ATOM 665 N7 DG F 3 4.545 3.966 4.979 1.00 0.00 N ATOM 666 C5 DG F 3 5.677 3.461 4.369 1.00 0.00 C ATOM 667 C6 DG F 3 7.148 3.868 4.637 1.00 0.00 C ATOM 668 O6 DG F 3 7.470 4.732 5.442 1.00 0.00 O ATOM 669 N1 DG F 3 8.086 3.216 3.907 1.00 0.00 N ATOM 670 C2 DG F 3 7.742 2.208 2.925 1.00 0.00 C ATOM 671 N2 DG F 3 8.739 1.608 2.204 1.00 0.00 N ATOM 672 N3 DG F 3 6.526 1.857 2.701 1.00 0.00 N ATOM 673 C4 DG F 3 5.402 2.428 3.413 1.00 0.00 C ATOM 0 H5' DG F 3 -0.373 0.700 0.427 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.011 0.523 2.050 1.00 0.00 H new ATOM 0 H4' DG F 3 1.402 -0.183 1.208 1.00 0.00 H new ATOM 0 H3' DG F 3 0.401 0.468 4.009 1.00 0.00 H new ATOM 0 H2' DG F 3 2.601 0.607 4.843 1.00 0.00 H new ATOM 0 H2'' DG F 3 3.095 -0.794 3.912 1.00 0.00 H new ATOM 0 H1' DG F 3 3.953 0.531 2.208 1.00 0.00 H new ATOM 0 H8 DG F 3 2.584 3.252 4.592 1.00 0.00 H new ATOM 0 H1 DG F 3 9.069 3.443 4.054 1.00 0.00 H new ATOM 0 H21 DG F 3 8.509 0.897 1.510 1.00 0.00 H new ATOM 0 H22 DG F 3 9.712 1.872 2.361 1.00 0.00 H new ATOM 685 P DG F 4 1.190 -2.647 2.532 1.00 0.00 P ATOM 686 OP1 DG F 4 0.224 -2.841 1.349 1.00 0.00 O ATOM 687 OP2 DG F 4 1.222 -3.937 3.342 1.00 0.00 O ATOM 688 O5' DG F 4 2.656 -2.303 1.936 1.00 0.00 O ATOM 689 C5' DG F 4 3.610 -3.265 1.460 1.00 0.00 C ATOM 690 C4' DG F 4 4.900 -3.278 2.311 1.00 0.00 C ATOM 691 O4' DG F 4 5.337 -1.972 2.773 1.00 0.00 O ATOM 692 C3' DG F 4 4.796 -4.146 3.569 1.00 0.00 C ATOM 693 O3' DG F 4 5.080 -5.525 3.255 1.00 0.00 O ATOM 694 C2' DG F 4 5.849 -3.523 4.484 1.00 0.00 C ATOM 695 C1' DG F 4 6.314 -2.232 3.799 1.00 0.00 C ATOM 696 N9 DG F 4 6.468 -1.113 4.778 1.00 0.00 N ATOM 697 C8 DG F 4 5.530 -0.500 5.600 1.00 0.00 C ATOM 698 N7 DG F 4 5.889 0.422 6.552 1.00 0.00 N ATOM 699 C5 DG F 4 7.247 0.382 6.322 1.00 0.00 C ATOM 700 C6 DG F 4 8.351 1.141 7.096 1.00 0.00 C ATOM 701 O6 DG F 4 8.112 1.929 8.001 1.00 0.00 O ATOM 702 N1 DG F 4 9.626 0.871 6.721 1.00 0.00 N ATOM 703 C2 DG F 4 9.941 -0.080 5.674 1.00 0.00 C ATOM 704 N2 DG F 4 11.242 -0.345 5.366 1.00 0.00 N ATOM 705 N3 DG F 4 9.032 -0.712 5.023 1.00 0.00 N ATOM 706 C4 DG F 4 7.625 -0.535 5.287 1.00 0.00 C ATOM 0 H5' DG F 4 3.863 -3.041 0.424 1.00 0.00 H new ATOM 0 H5'' DG F 4 3.159 -4.257 1.471 1.00 0.00 H new ATOM 0 H4' DG F 4 5.622 -3.687 1.605 1.00 0.00 H new ATOM 0 H3' DG F 4 3.806 -4.165 4.025 1.00 0.00 H new ATOM 0 H2' DG F 4 5.431 -3.311 5.468 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.686 -4.206 4.633 1.00 0.00 H new ATOM 0 H1' DG F 4 7.306 -2.331 3.359 1.00 0.00 H new ATOM 0 H8 DG F 4 4.487 -0.757 5.487 1.00 0.00 H new ATOM 0 H1 DG F 4 10.390 1.354 7.193 1.00 0.00 H new ATOM 0 H21 DG F 4 11.466 -1.014 4.629 1.00 0.00 H new ATOM 0 H22 DG F 4 11.992 0.126 5.872 1.00 0.00 H new ATOM 718 P DG F 5 5.077 -6.732 4.340 1.00 0.00 P ATOM 719 OP1 DG F 5 4.403 -7.972 3.737 1.00 0.00 O ATOM 720 OP2 DG F 5 4.377 -6.340 5.641 1.00 0.00 O ATOM 721 O5' DG F 5 6.596 -7.116 4.707 1.00 0.00 O ATOM 722 C5' DG F 5 7.713 -7.059 3.792 1.00 0.00 C ATOM 723 C4' DG F 5 9.013 -6.761 4.569 1.00 0.00 C ATOM 724 O4' DG F 5 8.984 -5.376 5.028 1.00 0.00 O ATOM 725 C3' DG F 5 9.219 -7.665 5.812 1.00 0.00 C ATOM 726 O3' DG F 5 10.611 -8.001 6.022 1.00 0.00 O ATOM 727 C2' DG F 5 8.809 -6.711 6.930 1.00 0.00 C ATOM 728 C1' DG F 5 9.336 -5.376 6.414 1.00 0.00 C ATOM 729 N9 DG F 5 8.833 -4.192 7.167 1.00 0.00 N ATOM 730 C8 DG F 5 7.539 -3.796 7.471 1.00 0.00 C ATOM 731 N7 DG F 5 7.288 -2.764 8.344 1.00 0.00 N ATOM 732 C5 DG F 5 8.601 -2.445 8.623 1.00 0.00 C ATOM 733 C6 DG F 5 9.122 -1.431 9.677 1.00 0.00 C ATOM 734 O6 DG F 5 8.386 -0.765 10.392 1.00 0.00 O ATOM 735 N1 DG F 5 10.468 -1.351 9.808 1.00 0.00 N ATOM 736 C2 DG F 5 11.369 -2.179 9.038 1.00 0.00 C ATOM 737 N2 DG F 5 12.718 -2.043 9.195 1.00 0.00 N ATOM 738 N3 DG F 5 10.951 -3.062 8.200 1.00 0.00 N ATOM 739 C4 DG F 5 9.544 -3.268 7.929 1.00 0.00 C ATOM 0 H5' DG F 5 7.542 -6.286 3.043 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.806 -8.005 3.259 1.00 0.00 H new ATOM 0 H4' DG F 5 9.834 -6.956 3.879 1.00 0.00 H new ATOM 0 H3' DG F 5 8.678 -8.608 5.738 1.00 0.00 H new ATOM 0 H2' DG F 5 7.729 -6.694 7.077 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.257 -6.985 7.885 1.00 0.00 H new ATOM 0 H1' DG F 5 10.412 -5.282 6.560 1.00 0.00 H new ATOM 0 H8 DG F 5 6.709 -4.311 7.011 1.00 0.00 H new ATOM 0 H1 DG F 5 10.859 -0.684 10.473 1.00 0.00 H new ATOM 0 H21 DG F 5 13.356 -2.626 8.653 1.00 0.00 H new ATOM 0 H22 DG F 5 13.088 -1.358 9.854 1.00 0.00 H new ATOM 751 P DT F 6 11.293 -9.443 5.763 1.00 0.00 P ATOM 752 OP1 DT F 6 12.093 -9.456 4.459 1.00 0.00 O ATOM 753 OP2 DT F 6 10.248 -10.565 5.694 1.00 0.00 O ATOM 754 O5' DT F 6 12.303 -9.793 6.991 1.00 0.00 O ATOM 755 C5' DT F 6 11.839 -10.278 8.268 1.00 0.00 C ATOM 756 C4' DT F 6 12.085 -9.253 9.390 1.00 0.00 C ATOM 757 O4' DT F 6 11.183 -8.139 9.306 1.00 0.00 O ATOM 758 C3' DT F 6 11.837 -9.805 10.805 1.00 0.00 C ATOM 759 O3' DT F 6 13.011 -10.390 11.359 1.00 0.00 O ATOM 760 C2' DT F 6 11.392 -8.579 11.609 1.00 0.00 C ATOM 761 C1' DT F 6 11.257 -7.457 10.568 1.00 0.00 C ATOM 762 N1 DT F 6 10.097 -6.551 10.806 1.00 0.00 N ATOM 763 C2 DT F 6 10.312 -5.277 11.307 1.00 0.00 C ATOM 764 O2 DT F 6 11.436 -4.856 11.561 1.00 0.00 O ATOM 765 N3 DT F 6 9.274 -4.447 11.557 1.00 0.00 N ATOM 766 C4 DT F 6 7.977 -4.752 11.333 1.00 0.00 C ATOM 767 O4 DT F 6 7.108 -3.952 11.672 1.00 0.00 O ATOM 768 C5 DT F 6 7.665 -6.141 10.689 1.00 0.00 C ATOM 769 C7 DT F 6 6.244 -6.512 10.308 1.00 0.00 C ATOM 770 C6 DT F 6 8.711 -6.984 10.478 1.00 0.00 C ATOM 0 H5' DT F 6 12.348 -11.211 8.510 1.00 0.00 H new ATOM 0 H5'' DT F 6 10.774 -10.502 8.207 1.00 0.00 H new ATOM 0 H4' DT F 6 13.130 -8.979 9.245 1.00 0.00 H new ATOM 0 H3' DT F 6 11.095 -10.603 10.811 1.00 0.00 H new ATOM 0 H2' DT F 6 10.446 -8.762 12.119 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.123 -8.322 12.376 1.00 0.00 H new ATOM 0 HO3' DT F 6 12.815 -10.728 12.258 1.00 0.00 H new ATOM 0 H1' DT F 6 12.105 -6.774 10.615 1.00 0.00 H new ATOM 0 H3 DT F 6 9.485 -3.526 11.942 1.00 0.00 H new ATOM 0 H71 DT F 6 6.261 -7.191 9.455 1.00 0.00 H new ATOM 0 H72 DT F 6 5.757 -7.002 11.151 1.00 0.00 H new ATOM 0 H73 DT F 6 5.691 -5.611 10.043 1.00 0.00 H new ATOM 0 H6 DT F 6 8.536 -7.969 10.072 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.744 14.391 6.978 1.00 0.00 C HETATM 786 O1 DMY A 7 16.103 15.550 6.750 1.00 0.00 O HETATM 787 N1 DMY A 7 14.952 13.979 8.085 1.00 0.00 N HETATM 788 C2 DMY A 7 14.397 14.775 9.103 1.00 0.00 C HETATM 789 C3 DMY A 7 13.557 14.295 10.080 1.00 0.00 C HETATM 790 C4 DMY A 7 13.376 15.320 11.013 1.00 0.00 C HETATM 791 N2 DMY A 7 14.050 16.489 10.589 1.00 0.00 N HETATM 792 C5 DMY A 7 14.666 16.106 9.397 1.00 0.00 C HETATM 793 C6 DMY A 7 13.958 17.857 11.162 1.00 0.00 C HETATM 794 C7 DMY A 7 12.654 15.212 12.379 1.00 0.00 C HETATM 795 O2 DMY A 7 13.085 15.927 13.296 1.00 0.00 O HETATM 796 N3 DMY A 7 11.504 14.355 12.516 1.00 0.00 N HETATM 797 C8 DMY A 7 10.548 14.422 13.567 1.00 0.00 C HETATM 798 C9 DMY A 7 9.483 13.553 13.768 1.00 0.00 C HETATM 799 C10 DMY A 7 8.634 14.144 14.736 1.00 0.00 C HETATM 800 N4 DMY A 7 9.140 15.417 15.099 1.00 0.00 N HETATM 801 C11 DMY A 7 10.311 15.534 14.362 1.00 0.00 C HETATM 802 C12 DMY A 7 8.493 16.500 15.878 1.00 0.00 C HETATM 803 C13 DMY A 7 7.317 13.565 15.328 1.00 0.00 C HETATM 804 O3 DMY A 7 6.745 14.222 16.208 1.00 0.00 O HETATM 805 N5 DMY A 7 6.833 12.289 14.866 1.00 0.00 N HETATM 806 C14 DMY A 7 5.629 11.647 15.265 1.00 0.00 C HETATM 807 C15 DMY A 7 5.235 10.386 14.878 1.00 0.00 C HETATM 808 C16 DMY A 7 3.957 10.145 15.422 1.00 0.00 C HETATM 809 N6 DMY A 7 3.528 11.286 16.165 1.00 0.00 N HETATM 810 C17 DMY A 7 4.596 12.176 16.033 1.00 0.00 C HETATM 811 C18 DMY A 7 2.245 11.582 16.851 1.00 0.00 C HETATM 812 C19 DMY A 7 3.163 8.832 15.171 1.00 0.00 C HETATM 813 O4 DMY A 7 3.645 7.913 14.510 1.00 0.00 O HETATM 814 N7 DMY A 7 1.937 8.714 15.692 1.00 0.00 N HETATM 815 C20 DMY A 7 1.036 7.603 15.343 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.150 7.542 16.325 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.308 6.675 15.828 1.00 0.00 C HETATM 818 N8 DMY A 7 -1.276 5.358 15.952 1.00 0.00 N HETATM 819 N9 DMY A 7 -2.390 7.249 15.340 1.00 0.00 N HETATM 0 HN92 DMY A 7 -3.165 6.676 15.007 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -2.452 8.266 15.295 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.200 7.154 17.282 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.515 8.553 16.505 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.667 7.732 14.325 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.584 6.661 15.366 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.432 11.566 16.125 1.00 0.00 H new HETATM 0 H182 DMY A 7 2.061 10.830 17.618 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.299 12.567 17.314 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.584 16.822 15.369 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.241 16.132 16.872 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.178 17.344 15.966 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -1.579 4.926 15.079 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.615 9.419 16.355 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.412 11.797 14.185 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.364 13.642 11.801 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.762 12.979 8.149 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.329 12.594 13.273 1.00 0.00 H new HETATM 0 H63 DMY A 7 12.928 18.209 11.099 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.271 17.836 12.206 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.607 18.530 10.602 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.277 16.764 8.779 1.00 0.00 H new HETATM 0 H3 DMY A 7 13.114 13.300 10.120 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.618 13.170 16.480 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.810 9.696 14.260 1.00 0.00 H new HETATM 0 H11 DMY A 7 10.970 16.402 14.403 1.00 0.00 H new HETATM 0 H1 DMY A 7 16.060 13.621 6.274 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.234 4.433 17.461 1.00 0.00 C HETATM 849 O1 DMY E 7 1.127 4.647 17.970 1.00 0.00 O HETATM 850 N1 DMY E 7 3.352 5.312 17.514 1.00 0.00 N HETATM 851 C2 DMY E 7 3.447 6.560 18.151 1.00 0.00 C HETATM 852 C3 DMY E 7 4.512 7.410 18.013 1.00 0.00 C HETATM 853 C4 DMY E 7 4.243 8.550 18.786 1.00 0.00 C HETATM 854 N2 DMY E 7 2.983 8.415 19.423 1.00 0.00 N HETATM 855 C5 DMY E 7 2.540 7.159 19.012 1.00 0.00 C HETATM 856 C6 DMY E 7 2.296 9.332 20.367 1.00 0.00 C HETATM 857 C7 DMY E 7 5.166 9.781 18.946 1.00 0.00 C HETATM 858 O2 DMY E 7 4.745 10.750 19.593 1.00 0.00 O HETATM 859 N3 DMY E 7 6.474 9.750 18.338 1.00 0.00 N HETATM 860 C8 DMY E 7 7.451 10.772 18.391 1.00 0.00 C HETATM 861 C9 DMY E 7 8.584 10.847 17.606 1.00 0.00 C HETATM 862 C10 DMY E 7 9.267 12.028 17.974 1.00 0.00 C HETATM 863 N4 DMY E 7 8.568 12.685 19.016 1.00 0.00 N HETATM 864 C11 DMY E 7 7.463 11.871 19.238 1.00 0.00 C HETATM 865 C12 DMY E 7 8.877 13.954 19.717 1.00 0.00 C HETATM 866 C13 DMY E 7 10.580 12.576 17.360 1.00 0.00 C HETATM 867 O3 DMY E 7 11.058 13.626 17.817 1.00 0.00 O HETATM 868 N5 DMY E 7 11.197 11.847 16.292 1.00 0.00 N HETATM 869 C14 DMY E 7 12.415 12.176 15.658 1.00 0.00 C HETATM 870 C15 DMY E 7 12.790 11.775 14.402 1.00 0.00 C HETATM 871 C16 DMY E 7 14.036 12.362 14.128 1.00 0.00 C HETATM 872 N6 DMY E 7 14.493 13.091 15.264 1.00 0.00 N HETATM 873 C17 DMY E 7 13.447 12.943 16.175 1.00 0.00 C HETATM 874 C18 DMY E 7 15.746 13.845 15.501 1.00 0.00 C HETATM 875 C19 DMY E 7 14.698 12.278 12.732 1.00 0.00 C HETATM 876 O4 DMY E 7 14.144 11.707 11.797 1.00 0.00 O HETATM 877 N7 DMY E 7 15.878 12.885 12.545 1.00 0.00 N HETATM 878 C20 DMY E 7 16.656 12.711 11.308 1.00 0.00 C HETATM 879 C21 DMY E 7 17.696 13.830 11.150 1.00 0.00 C HETATM 880 C22 DMY E 7 18.644 13.586 9.975 1.00 0.00 C HETATM 881 N8 DMY E 7 18.564 14.328 8.886 1.00 0.00 N HETATM 882 N9 DMY E 7 19.606 12.681 10.058 1.00 0.00 N HETATM 0 HN92 DMY E 7 20.232 12.528 9.267 1.00 0.00 H new HETATM 0 HN91 DMY E 7 19.722 12.137 10.913 1.00 0.00 H new HETATM 0 H212 DMY E 7 17.183 14.781 11.007 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.276 13.915 12.069 1.00 0.00 H new HETATM 0 H202 DMY E 7 17.157 11.743 11.323 1.00 0.00 H new HETATM 0 H201 DMY E 7 15.985 12.710 10.449 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.599 13.173 15.405 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.832 14.647 14.768 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.730 14.271 16.504 1.00 0.00 H new HETATM 0 H123 DMY E 7 9.850 13.874 20.202 1.00 0.00 H new HETATM 0 H122 DMY E 7 8.897 14.772 18.997 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.112 14.150 20.468 1.00 0.00 H new HETATM 0 HN8 DMY E 7 19.269 14.024 8.214 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.248 13.485 13.282 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.712 11.014 15.959 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.719 8.907 17.818 1.00 0.00 H new HETATM 0 HN1 DMY E 7 4.191 4.995 17.028 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.894 10.130 16.845 1.00 0.00 H new HETATM 0 H63 DMY E 7 2.914 9.471 21.254 1.00 0.00 H new HETATM 0 H62 DMY E 7 2.133 10.296 19.884 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.336 8.904 20.656 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.600 6.705 19.327 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.405 7.233 17.413 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.442 13.379 17.174 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.225 11.121 13.738 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.698 12.072 19.988 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.364 3.492 16.927 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.492 7.412 -2.161 1.00 0.00 C HETATM 912 O1 DMY B 7 3.292 7.866 -3.291 1.00 0.00 O HETATM 913 N1 DMY B 7 4.091 6.153 -1.877 1.00 0.00 N HETATM 914 C2 DMY B 7 4.641 5.226 -2.783 1.00 0.00 C HETATM 915 C3 DMY B 7 5.346 4.106 -2.408 1.00 0.00 C HETATM 916 C4 DMY B 7 5.689 3.412 -3.570 1.00 0.00 C HETATM 917 N2 DMY B 7 5.205 4.111 -4.708 1.00 0.00 N HETATM 918 C5 DMY B 7 4.580 5.237 -4.170 1.00 0.00 C HETATM 919 C6 DMY B 7 5.417 3.808 -6.150 1.00 0.00 C HETATM 920 C7 DMY B 7 6.457 2.065 -3.663 1.00 0.00 C HETATM 921 O2 DMY B 7 6.263 1.416 -4.697 1.00 0.00 O HETATM 922 N3 DMY B 7 7.352 1.631 -2.600 1.00 0.00 N HETATM 923 C8 DMY B 7 8.233 0.503 -2.668 1.00 0.00 C HETATM 924 C9 DMY B 7 9.136 0.083 -1.691 1.00 0.00 C HETATM 925 C10 DMY B 7 9.873 -1.002 -2.240 1.00 0.00 C HETATM 926 N4 DMY B 7 9.423 -1.267 -3.556 1.00 0.00 N HETATM 927 C11 DMY B 7 8.435 -0.322 -3.771 1.00 0.00 C HETATM 928 C12 DMY B 7 9.891 -2.279 -4.539 1.00 0.00 C HETATM 929 C13 DMY B 7 11.062 -1.778 -1.603 1.00 0.00 C HETATM 930 O3 DMY B 7 11.688 -2.563 -2.324 1.00 0.00 O HETATM 931 N5 DMY B 7 11.373 -1.586 -0.213 1.00 0.00 N HETATM 932 C14 DMY B 7 12.454 -2.185 0.490 1.00 0.00 C HETATM 933 C15 DMY B 7 12.681 -2.069 1.844 1.00 0.00 C HETATM 934 C16 DMY B 7 13.907 -2.721 2.124 1.00 0.00 C HETATM 935 N6 DMY B 7 14.451 -3.260 0.934 1.00 0.00 N HETATM 936 C17 DMY B 7 13.525 -2.907 -0.043 1.00 0.00 C HETATM 937 C18 DMY B 7 15.741 -3.964 0.703 1.00 0.00 C HETATM 938 C19 DMY B 7 14.649 -2.763 3.484 1.00 0.00 C HETATM 939 O4 DMY B 7 15.796 -3.210 3.558 1.00 0.00 O HETATM 940 N7 DMY B 7 14.013 -2.332 4.580 1.00 0.00 N HETATM 941 C20 DMY B 7 14.736 -1.996 5.825 1.00 0.00 C HETATM 942 C21 DMY B 7 15.263 -3.210 6.618 1.00 0.00 C HETATM 943 C22 DMY B 7 16.413 -2.914 7.583 1.00 0.00 C HETATM 944 N8 DMY B 7 16.199 -2.783 8.879 1.00 0.00 N HETATM 945 N9 DMY B 7 17.655 -2.837 7.153 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.410 -2.639 7.809 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.862 -2.975 6.164 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.437 -3.639 7.185 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.592 -3.970 5.910 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.578 -1.350 5.576 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.072 -1.420 6.469 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.568 -3.306 0.972 1.00 0.00 H new HETATM 0 H182 DMY B 7 15.779 -4.864 1.317 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.823 -4.238 -0.349 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.945 -2.111 -4.761 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.763 -3.278 -4.122 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.309 -2.192 -5.456 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.019 -2.366 9.319 1.00 0.00 H new HETATM 0 HN7 DMY B 7 12.998 -2.232 4.556 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.763 -0.964 0.317 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.352 2.174 -1.737 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.126 5.889 -0.893 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.254 0.507 -0.694 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.483 3.833 -6.374 1.00 0.00 H new HETATM 0 H62 DMY B 7 5.022 2.818 -6.376 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.901 4.552 -6.758 1.00 0.00 H new HETATM 0 H5 DMY B 7 4.107 6.021 -4.761 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.593 3.813 -1.387 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.623 -3.163 -1.098 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.036 -1.568 2.566 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.876 -0.233 -4.702 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.185 8.024 -1.313 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.672 -6.231 7.919 1.00 0.00 C HETATM 975 O1 DMY F 7 14.702 -6.909 7.900 1.00 0.00 O HETATM 976 N1 DMY F 7 12.957 -5.771 6.784 1.00 0.00 N HETATM 977 C2 DMY F 7 13.228 -5.988 5.424 1.00 0.00 C HETATM 978 C3 DMY F 7 12.431 -5.526 4.412 1.00 0.00 C HETATM 979 C4 DMY F 7 12.925 -6.047 3.210 1.00 0.00 C HETATM 980 N2 DMY F 7 14.111 -6.783 3.458 1.00 0.00 N HETATM 981 C5 DMY F 7 14.237 -6.747 4.850 1.00 0.00 C HETATM 982 C6 DMY F 7 15.007 -7.487 2.509 1.00 0.00 C HETATM 983 C7 DMY F 7 12.217 -5.960 1.836 1.00 0.00 C HETATM 984 O2 DMY F 7 12.732 -6.502 0.849 1.00 0.00 O HETATM 985 N3 DMY F 7 10.960 -5.256 1.777 1.00 0.00 N HETATM 986 C8 DMY F 7 10.121 -5.118 0.655 1.00 0.00 C HETATM 987 C9 DMY F 7 9.124 -4.180 0.512 1.00 0.00 C HETATM 988 C10 DMY F 7 8.510 -4.415 -0.736 1.00 0.00 C HETATM 989 N4 DMY F 7 9.096 -5.548 -1.356 1.00 0.00 N HETATM 990 C11 DMY F 7 10.092 -5.935 -0.463 1.00 0.00 C HETATM 991 C12 DMY F 7 8.711 -6.253 -2.604 1.00 0.00 C HETATM 992 C13 DMY F 7 7.382 -3.578 -1.385 1.00 0.00 C HETATM 993 O3 DMY F 7 6.977 -3.904 -2.510 1.00 0.00 O HETATM 994 N5 DMY F 7 6.853 -2.457 -0.660 1.00 0.00 N HETATM 995 C14 DMY F 7 5.820 -1.591 -1.082 1.00 0.00 C HETATM 996 C15 DMY F 7 5.469 -0.422 -0.456 1.00 0.00 C HETATM 997 C16 DMY F 7 4.407 0.143 -1.181 1.00 0.00 C HETATM 998 N6 DMY F 7 4.056 -0.704 -2.273 1.00 0.00 N HETATM 999 C17 DMY F 7 4.966 -1.753 -2.165 1.00 0.00 C HETATM 1000 C18 DMY F 7 3.016 -0.567 -3.322 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.796 1.516 -0.822 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.306 2.240 0.030 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.723 1.926 -1.509 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.940 3.100 -1.103 1.00 0.00 C HETATM 1005 C21 DMY F 7 1.116 3.625 -2.290 1.00 0.00 C HETATM 1006 C22 DMY F 7 0.138 4.729 -1.891 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.005 4.431 -1.297 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.383 5.987 -2.211 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.274 6.719 -1.942 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.229 6.226 -2.728 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.792 4.005 -3.056 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.562 2.799 -2.735 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.277 2.837 -0.279 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.606 3.882 -0.739 1.00 0.00 H new HETATM 0 H183 DMY F 7 2.033 -0.515 -2.855 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.194 0.343 -3.894 1.00 0.00 H new HETATM 0 H181 DMY F 7 3.056 -1.428 -3.989 1.00 0.00 H new HETATM 0 H123 DMY F 7 7.692 -6.629 -2.510 1.00 0.00 H new HETATM 0 H122 DMY F 7 8.767 -5.561 -3.445 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.391 -7.088 -2.775 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.524 5.288 -1.107 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.440 1.407 -2.340 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.265 -2.267 0.253 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.645 -4.811 2.639 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.132 -5.205 6.983 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.859 -3.402 1.228 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.445 -8.258 1.982 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.407 -6.773 1.789 1.00 0.00 H new HETATM 0 H61 DMY F 7 15.828 -7.948 3.058 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.025 -7.250 5.411 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.567 -4.870 4.522 1.00 0.00 H new HETATM 0 H17 DMY F 7 5.003 -2.601 -2.849 1.00 0.00 H new HETATM 0 H15 DMY F 7 5.930 -0.007 0.440 1.00 0.00 H new HETATM 0 H11 DMY F 7 10.765 -6.777 -0.624 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.275 -5.961 8.897 1.00 0.00 H new