USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 288 hydrogens (150 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 NoAdj-H: B 3 CRH H6 : B 3 CRH C6 : B 2 DDA O1 :(H bumps) USER MOD NoAdj-H: B 3 CRH H21 : B 3 CRH C2 : B 4 DDA O1 :(H bumps) USER MOD NoAdj-H: A 9 CRH H6 : A 9 CRH C6 : A 8 DDA O1 :(H bumps) USER MOD NoAdj-H: A 9 CRH H21 : A 9 CRH C2 : A 10 DDA O1 :(H bumps) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= -0.0343 USER MOD Single : A 7 DDA O3 : rot 150:sc= 0.00159 USER MOD Single : A 7 DDA O4 : rot 160:sc= 0 USER MOD Single : A 8 DDA O4 : rot 29:sc= 0.0161 USER MOD Single : A 9 CRH O3' : rot 157:sc= 0.00509 USER MOD Single : A 9 CRH O4' : rot 157:sc= 0.147 USER MOD Single : A 9 CRH O8 : rot -180:sc= 1.67 USER MOD Single : A 10 DDA O4 : rot 47:sc= 0.965 USER MOD Single : A 11 DDL O4 : rot -26:sc= 0.0336 USER MOD Single : A 12 MDA O3 : rot 102:sc= 1.32 USER MOD Single : A 12 MDA O4 : rot -33:sc= 0.0261 USER MOD Single : B 1 DDA O3 : rot 180:sc= 0 USER MOD Single : B 1 DDA O4 : rot 160:sc= 0 USER MOD Single : B 2 DDA O4 : rot 38:sc= 0.00885 USER MOD Single : B 3 CRH O3' : rot 156:sc= 0.0188 USER MOD Single : B 3 CRH O4' : rot 154:sc= 0.132 USER MOD Single : B 3 CRH O8 : rot 178:sc= 1.66 USER MOD Single : B 4 DDA O4 : rot 50:sc= 1.08 USER MOD Single : B 5 DDL O4 : rot -25:sc= 0.0293 USER MOD Single : B 6 MDA O3 : rot 102:sc= 1.27 USER MOD Single : B 6 MDA O4 : rot -29:sc= 0.0232 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 12 DA O3' : rot 180:sc= -0.0367 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 6.264 8.945 2.832 1.00 1.22 O ATOM 2 C5' DT A 1 7.298 9.697 3.472 1.00 1.31 C ATOM 3 C4' DT A 1 7.725 9.081 4.808 1.00 1.08 C ATOM 4 O4' DT A 1 6.626 9.025 5.730 1.00 0.90 O ATOM 5 C3' DT A 1 8.306 7.667 4.715 1.00 0.97 C ATOM 6 O3' DT A 1 9.616 7.544 5.299 1.00 1.07 O ATOM 7 C2' DT A 1 7.219 6.806 5.307 1.00 0.73 C ATOM 8 C1' DT A 1 6.583 7.725 6.331 1.00 0.65 C ATOM 9 N1 DT A 1 5.152 7.401 6.573 1.00 0.49 N ATOM 10 C2 DT A 1 4.694 7.390 7.881 1.00 0.56 C ATOM 11 O2 DT A 1 5.434 7.488 8.859 1.00 0.78 O ATOM 12 N3 DT A 1 3.329 7.245 8.032 1.00 0.48 N ATOM 13 C4 DT A 1 2.395 7.085 7.029 1.00 0.39 C ATOM 14 O4 DT A 1 1.205 6.981 7.321 1.00 0.46 O ATOM 15 C5 DT A 1 2.963 7.072 5.701 1.00 0.31 C ATOM 16 C7 DT A 1 2.070 6.928 4.469 1.00 0.31 C ATOM 17 C6 DT A 1 4.285 7.216 5.520 1.00 0.38 C ATOM 0 H5' DT A 1 6.952 10.717 3.639 1.00 1.31 H new ATOM 0 H5'' DT A 1 8.162 9.758 2.810 1.00 1.31 H new ATOM 0 H4' DT A 1 8.516 9.747 5.154 1.00 1.08 H new ATOM 0 H3' DT A 1 8.532 7.351 3.697 1.00 0.97 H new ATOM 0 H2' DT A 1 6.502 6.484 4.552 1.00 0.73 H new ATOM 0 H2'' DT A 1 7.623 5.905 5.768 1.00 0.73 H new ATOM 0 HO5' DT A 1 6.023 9.375 1.985 1.00 1.22 H new ATOM 0 H1' DT A 1 7.107 7.640 7.283 1.00 0.65 H new ATOM 0 H3 DT A 1 2.973 7.258 8.988 1.00 0.48 H new ATOM 0 H71 DT A 1 2.527 7.445 3.626 1.00 0.31 H new ATOM 0 H72 DT A 1 1.952 5.872 4.226 1.00 0.31 H new ATOM 0 H73 DT A 1 1.093 7.364 4.675 1.00 0.31 H new ATOM 0 H6 DT A 1 4.681 7.186 4.516 1.00 0.38 H new ATOM 31 P DC A 2 10.103 7.934 6.792 1.00 1.07 P ATOM 32 OP1 DC A 2 9.138 8.881 7.394 1.00 1.26 O ATOM 33 OP2 DC A 2 11.536 8.294 6.724 1.00 1.64 O ATOM 34 O5' DC A 2 9.972 6.533 7.560 1.00 0.67 O ATOM 35 C5' DC A 2 10.473 6.334 8.888 1.00 0.56 C ATOM 36 C4' DC A 2 9.650 5.280 9.618 1.00 0.47 C ATOM 37 O4' DC A 2 8.267 5.676 9.673 1.00 0.47 O ATOM 38 C3' DC A 2 9.639 3.971 8.883 1.00 0.50 C ATOM 39 O3' DC A 2 10.842 3.207 9.087 1.00 0.52 O ATOM 40 C2' DC A 2 8.399 3.322 9.493 1.00 0.53 C ATOM 41 C1' DC A 2 7.493 4.481 9.854 1.00 0.49 C ATOM 42 N1 DC A 2 6.175 4.433 9.183 1.00 0.48 N ATOM 43 C2 DC A 2 5.057 4.611 9.981 1.00 0.57 C ATOM 44 O2 DC A 2 5.177 4.931 11.162 1.00 0.70 O ATOM 45 N3 DC A 2 3.836 4.448 9.417 1.00 0.56 N ATOM 46 C4 DC A 2 3.699 4.145 8.123 1.00 0.45 C ATOM 47 N4 DC A 2 2.471 3.957 7.642 1.00 0.47 N ATOM 48 C5 DC A 2 4.850 4.000 7.281 1.00 0.42 C ATOM 49 C6 DC A 2 6.054 4.142 7.857 1.00 0.45 C ATOM 0 H5' DC A 2 10.442 7.274 9.439 1.00 0.56 H new ATOM 0 H5'' DC A 2 11.517 6.024 8.846 1.00 0.56 H new ATOM 0 H4' DC A 2 10.103 5.179 10.604 1.00 0.47 H new ATOM 0 H3' DC A 2 9.607 4.059 7.797 1.00 0.50 H new ATOM 0 H2' DC A 2 7.916 2.648 8.785 1.00 0.53 H new ATOM 0 H2'' DC A 2 8.654 2.731 10.372 1.00 0.53 H new ATOM 0 H1' DC A 2 7.178 4.436 10.897 1.00 0.49 H new ATOM 0 H41 DC A 2 2.339 3.725 6.658 1.00 0.47 H new ATOM 0 H42 DC A 2 1.663 4.045 8.258 1.00 0.47 H new ATOM 0 H5 DC A 2 4.752 3.785 6.227 1.00 0.42 H new ATOM 0 H6 DC A 2 6.945 4.023 7.258 1.00 0.45 H new ATOM 61 P DG A 3 10.969 1.602 8.887 1.00 0.57 P ATOM 62 OP1 DG A 3 12.404 1.242 8.936 1.00 0.60 O ATOM 63 OP2 DG A 3 10.152 1.209 7.717 1.00 0.77 O ATOM 64 O5' DG A 3 10.259 1.018 10.218 1.00 0.44 O ATOM 65 C5' DG A 3 10.569 1.533 11.521 1.00 0.31 C ATOM 66 C4' DG A 3 9.520 1.151 12.572 1.00 0.31 C ATOM 67 O4' DG A 3 8.191 1.557 12.172 1.00 0.40 O ATOM 68 C3' DG A 3 9.445 -0.345 12.875 1.00 0.36 C ATOM 69 O3' DG A 3 9.291 -0.551 14.284 1.00 0.37 O ATOM 70 C2' DG A 3 8.255 -0.760 12.047 1.00 0.42 C ATOM 71 C1' DG A 3 7.315 0.416 12.227 1.00 0.39 C ATOM 72 N9 DG A 3 6.275 0.482 11.162 1.00 0.39 N ATOM 73 C8 DG A 3 6.416 0.354 9.805 1.00 0.42 C ATOM 74 N7 DG A 3 5.349 0.552 9.096 1.00 0.40 N ATOM 75 C5 DG A 3 4.383 0.800 10.065 1.00 0.34 C ATOM 76 C6 DG A 3 2.989 1.016 9.909 1.00 0.31 C ATOM 77 O6 DG A 3 2.342 1.122 8.873 1.00 0.33 O ATOM 78 N1 DG A 3 2.344 1.133 11.124 1.00 0.29 N ATOM 79 C2 DG A 3 2.963 1.072 12.352 1.00 0.30 C ATOM 80 N2 DG A 3 2.159 1.193 13.405 1.00 0.33 N ATOM 81 N3 DG A 3 4.280 0.886 12.513 1.00 0.33 N ATOM 82 C4 DG A 3 4.928 0.751 11.329 1.00 0.34 C ATOM 0 H5' DG A 3 10.647 2.619 11.469 1.00 0.31 H new ATOM 0 H5'' DG A 3 11.544 1.158 11.833 1.00 0.31 H new ATOM 0 H4' DG A 3 9.853 1.677 13.467 1.00 0.31 H new ATOM 0 H3' DG A 3 10.331 -0.930 12.628 1.00 0.36 H new ATOM 0 H2' DG A 3 8.520 -0.913 11.001 1.00 0.42 H new ATOM 0 H2'' DG A 3 7.815 -1.691 12.404 1.00 0.42 H new ATOM 0 H1' DG A 3 6.749 0.351 13.156 1.00 0.39 H new ATOM 0 H8 DG A 3 7.363 0.102 9.351 1.00 0.42 H new ATOM 0 H1 DG A 3 1.334 1.275 11.111 1.00 0.29 H new ATOM 0 H21 DG A 3 2.545 1.158 14.348 1.00 0.33 H new ATOM 0 H22 DG A 3 1.156 1.321 13.269 1.00 0.33 H new ATOM 94 P DC A 4 9.240 -2.033 14.920 1.00 0.44 P ATOM 95 OP1 DC A 4 9.910 -2.008 16.238 1.00 0.53 O ATOM 96 OP2 DC A 4 9.659 -3.019 13.897 1.00 0.58 O ATOM 97 O5' DC A 4 7.662 -2.193 15.158 1.00 0.38 O ATOM 98 C5' DC A 4 7.032 -1.545 16.267 1.00 0.32 C ATOM 99 C4' DC A 4 5.527 -1.713 16.234 1.00 0.26 C ATOM 100 O4' DC A 4 4.902 -1.074 15.106 1.00 0.25 O ATOM 101 C3' DC A 4 5.116 -3.174 16.152 1.00 0.26 C ATOM 102 O3' DC A 4 5.374 -3.849 17.391 1.00 0.29 O ATOM 103 C2' DC A 4 3.643 -2.922 15.866 1.00 0.30 C ATOM 104 C1' DC A 4 3.693 -1.803 14.815 1.00 0.26 C ATOM 105 N1 DC A 4 3.526 -2.195 13.384 1.00 0.25 N ATOM 106 C2 DC A 4 2.225 -2.281 12.888 1.00 0.33 C ATOM 107 O2 DC A 4 1.250 -2.173 13.628 1.00 0.37 O ATOM 108 N3 DC A 4 2.045 -2.509 11.561 1.00 0.40 N ATOM 109 C4 DC A 4 3.091 -2.662 10.740 1.00 0.38 C ATOM 110 N4 DC A 4 2.885 -2.777 9.428 1.00 0.49 N ATOM 111 C5 DC A 4 4.431 -2.625 11.235 1.00 0.30 C ATOM 112 C6 DC A 4 4.603 -2.378 12.551 1.00 0.25 C ATOM 0 H5' DC A 4 7.280 -0.484 16.257 1.00 0.32 H new ATOM 0 H5'' DC A 4 7.423 -1.955 17.198 1.00 0.32 H new ATOM 0 H4' DC A 4 5.198 -1.250 17.164 1.00 0.26 H new ATOM 0 H3' DC A 4 5.625 -3.819 15.435 1.00 0.26 H new ATOM 0 H2' DC A 4 3.146 -3.814 15.485 1.00 0.30 H new ATOM 0 H2'' DC A 4 3.103 -2.614 16.761 1.00 0.30 H new ATOM 0 H1' DC A 4 2.803 -1.181 14.908 1.00 0.26 H new ATOM 0 H41 DC A 4 3.677 -2.894 8.796 1.00 0.49 H new ATOM 0 H42 DC A 4 1.936 -2.748 9.056 1.00 0.49 H new ATOM 0 H5 DC A 4 5.275 -2.789 10.581 1.00 0.30 H new ATOM 0 H6 DC A 4 5.603 -2.323 12.955 1.00 0.25 H new ATOM 124 P DG A 5 5.134 -5.433 17.557 1.00 0.30 P ATOM 125 OP1 DG A 5 5.500 -5.842 18.933 1.00 0.36 O ATOM 126 OP2 DG A 5 5.723 -6.129 16.392 1.00 0.36 O ATOM 127 O5' DG A 5 3.537 -5.498 17.435 1.00 0.33 O ATOM 128 C5' DG A 5 2.701 -4.714 18.294 1.00 0.32 C ATOM 129 C4' DG A 5 1.232 -5.009 18.056 1.00 0.29 C ATOM 130 O4' DG A 5 0.821 -4.681 16.721 1.00 0.28 O ATOM 131 C3' DG A 5 0.912 -6.482 18.262 1.00 0.34 C ATOM 132 O3' DG A 5 -0.439 -6.610 18.712 1.00 0.43 O ATOM 133 C2' DG A 5 1.142 -7.007 16.845 1.00 0.33 C ATOM 134 C1' DG A 5 0.505 -5.903 16.038 1.00 0.29 C ATOM 135 N9 DG A 5 1.031 -5.809 14.662 1.00 0.28 N ATOM 136 C8 DG A 5 2.317 -5.844 14.207 1.00 0.30 C ATOM 137 N7 DG A 5 2.479 -5.664 12.931 1.00 0.34 N ATOM 138 C5 DG A 5 1.166 -5.498 12.490 1.00 0.38 C ATOM 139 C6 DG A 5 0.668 -5.297 11.181 1.00 0.44 C ATOM 140 O6 DG A 5 1.286 -5.203 10.123 1.00 0.48 O ATOM 141 N1 DG A 5 -0.714 -5.230 11.165 1.00 0.47 N ATOM 142 C2 DG A 5 -1.532 -5.314 12.275 1.00 0.43 C ATOM 143 N2 DG A 5 -2.846 -5.236 12.074 1.00 0.55 N ATOM 144 N3 DG A 5 -1.065 -5.486 13.511 1.00 0.34 N ATOM 145 C4 DG A 5 0.284 -5.582 13.540 1.00 0.33 C ATOM 0 H5' DG A 5 2.893 -3.655 18.124 1.00 0.32 H new ATOM 0 H5'' DG A 5 2.951 -4.920 19.335 1.00 0.32 H new ATOM 0 H4' DG A 5 0.698 -4.392 18.779 1.00 0.29 H new ATOM 0 H3' DG A 5 1.496 -7.018 19.010 1.00 0.34 H new ATOM 0 H2' DG A 5 2.200 -7.131 16.615 1.00 0.33 H new ATOM 0 H2'' DG A 5 0.664 -7.972 16.677 1.00 0.33 H new ATOM 0 H1' DG A 5 -0.564 -6.099 15.954 1.00 0.29 H new ATOM 0 H8 DG A 5 3.153 -6.012 14.870 1.00 0.30 H new ATOM 0 H1 DG A 5 -1.166 -5.109 10.259 1.00 0.47 H new ATOM 0 H21 DG A 5 -3.487 -5.293 12.865 1.00 0.55 H new ATOM 0 H22 DG A 5 -3.211 -5.119 11.129 1.00 0.55 H new ATOM 157 P DA A 6 -0.900 -7.825 19.670 1.00 0.42 P ATOM 158 OP1 DA A 6 -1.484 -7.262 20.907 1.00 0.66 O ATOM 159 OP2 DA A 6 0.214 -8.795 19.767 1.00 0.63 O ATOM 160 O5' DA A 6 -2.070 -8.524 18.820 1.00 0.35 O ATOM 161 C5' DA A 6 -3.050 -7.860 18.006 1.00 0.26 C ATOM 162 C4' DA A 6 -3.062 -8.494 16.609 1.00 0.28 C ATOM 163 O4' DA A 6 -2.081 -8.086 15.639 1.00 0.31 O ATOM 164 C3' DA A 6 -3.082 -9.998 16.613 1.00 0.30 C ATOM 165 O3' DA A 6 -4.302 -10.374 16.013 1.00 0.30 O ATOM 166 C2' DA A 6 -1.833 -10.348 15.842 1.00 0.34 C ATOM 167 C1' DA A 6 -1.853 -9.247 14.826 1.00 0.30 C ATOM 168 N9 DA A 6 -0.641 -9.152 13.999 1.00 0.34 N ATOM 169 C8 DA A 6 0.657 -9.416 14.305 1.00 0.35 C ATOM 170 N7 DA A 6 1.521 -9.230 13.349 1.00 0.40 N ATOM 171 C5 DA A 6 0.702 -8.829 12.290 1.00 0.38 C ATOM 172 C6 DA A 6 0.961 -8.509 10.951 1.00 0.43 C ATOM 173 N6 DA A 6 2.174 -8.523 10.397 1.00 0.46 N ATOM 174 N1 DA A 6 -0.093 -8.175 10.193 1.00 0.47 N ATOM 175 C2 DA A 6 -1.316 -8.164 10.698 1.00 0.50 C ATOM 176 N3 DA A 6 -1.680 -8.448 11.933 1.00 0.46 N ATOM 177 C4 DA A 6 -0.608 -8.772 12.686 1.00 0.39 C ATOM 0 H5' DA A 6 -2.820 -6.797 17.934 1.00 0.26 H new ATOM 0 H5'' DA A 6 -4.036 -7.942 18.464 1.00 0.26 H new ATOM 0 H4' DA A 6 -4.009 -8.070 16.274 1.00 0.28 H new ATOM 0 H3' DA A 6 -3.058 -10.511 17.574 1.00 0.30 H new ATOM 0 H2' DA A 6 -0.938 -10.328 16.463 1.00 0.34 H new ATOM 0 H2'' DA A 6 -1.884 -11.338 15.388 1.00 0.34 H new ATOM 0 HO3' DA A 6 -4.367 -11.352 15.988 1.00 0.30 H new ATOM 0 H1' DA A 6 -2.614 -9.402 14.061 1.00 0.30 H new ATOM 0 H8 DA A 6 0.954 -9.760 15.285 1.00 0.35 H new ATOM 0 H61 DA A 6 2.288 -8.278 9.414 1.00 0.46 H new ATOM 0 H62 DA A 6 2.987 -8.779 10.957 1.00 0.46 H new ATOM 0 H2 DA A 6 -2.110 -7.890 10.019 1.00 0.50 H new TER 190 DA A 6 ATOM 191 O5' DT B 7 -0.853 -10.099 1.447 1.00 1.22 O ATOM 192 C5' DT B 7 -2.061 -10.844 1.614 1.00 1.30 C ATOM 193 C4' DT B 7 -3.000 -10.212 2.647 1.00 1.09 C ATOM 194 O4' DT B 7 -2.378 -10.140 3.940 1.00 0.93 O ATOM 195 C3' DT B 7 -3.485 -8.801 2.303 1.00 0.98 C ATOM 196 O3' DT B 7 -4.920 -8.674 2.292 1.00 1.06 O ATOM 197 C2' DT B 7 -2.737 -7.929 3.279 1.00 0.74 C ATOM 198 C1' DT B 7 -2.583 -8.832 4.487 1.00 0.69 C ATOM 199 N1 DT B 7 -1.377 -8.500 5.292 1.00 0.55 N ATOM 200 C2 DT B 7 -1.498 -8.468 6.672 1.00 0.60 C ATOM 201 O2 DT B 7 -2.575 -8.554 7.260 1.00 0.79 O ATOM 202 N3 DT B 7 -0.316 -8.316 7.367 1.00 0.52 N ATOM 203 C4 DT B 7 0.948 -8.168 6.837 1.00 0.42 C ATOM 204 O4 DT B 7 1.914 -8.056 7.591 1.00 0.47 O ATOM 205 C5 DT B 7 0.978 -8.177 5.393 1.00 0.39 C ATOM 206 C7 DT B 7 2.300 -8.047 4.638 1.00 0.39 C ATOM 207 C6 DT B 7 -0.153 -8.328 4.686 1.00 0.44 C ATOM 0 H5' DT B 7 -1.818 -11.861 1.922 1.00 1.30 H new ATOM 0 H5'' DT B 7 -2.575 -10.916 0.656 1.00 1.30 H new ATOM 0 H4' DT B 7 -3.865 -10.875 2.646 1.00 1.09 H new ATOM 0 H3' DT B 7 -3.268 -8.499 1.278 1.00 0.98 H new ATOM 0 H2' DT B 7 -1.771 -7.615 2.883 1.00 0.74 H new ATOM 0 H2'' DT B 7 -3.293 -7.023 3.520 1.00 0.74 H new ATOM 0 HO5' DT B 7 -0.286 -10.541 0.781 1.00 1.22 H new ATOM 0 H1' DT B 7 -3.452 -8.736 5.137 1.00 0.69 H new ATOM 0 H3 DT B 7 -0.385 -8.313 8.385 1.00 0.52 H new ATOM 0 H71 DT B 7 2.231 -8.579 3.689 1.00 0.39 H new ATOM 0 H72 DT B 7 2.509 -6.994 4.450 1.00 0.39 H new ATOM 0 H73 DT B 7 3.104 -8.476 5.236 1.00 0.39 H new ATOM 0 H6 DT B 7 -0.101 -8.314 3.607 1.00 0.44 H new ATOM 221 P DC B 8 -5.980 -9.044 3.458 1.00 1.07 P ATOM 222 OP1 DC B 8 -5.352 -9.980 4.416 1.00 1.28 O ATOM 223 OP2 DC B 8 -7.259 -9.408 2.810 1.00 1.67 O ATOM 224 O5' DC B 8 -6.172 -7.631 4.192 1.00 0.67 O ATOM 225 C5' DC B 8 -7.176 -7.415 5.193 1.00 0.55 C ATOM 226 C4' DC B 8 -6.723 -6.350 6.184 1.00 0.46 C ATOM 227 O4' DC B 8 -5.487 -6.741 6.808 1.00 0.51 O ATOM 228 C3' DC B 8 -6.407 -5.051 5.500 1.00 0.50 C ATOM 229 O3' DC B 8 -7.584 -4.287 5.178 1.00 0.53 O ATOM 230 C2' DC B 8 -5.525 -4.390 6.556 1.00 0.53 C ATOM 231 C1' DC B 8 -4.852 -5.541 7.275 1.00 0.52 C ATOM 232 N1 DC B 8 -3.375 -5.498 7.207 1.00 0.51 N ATOM 233 C2 DC B 8 -2.685 -5.661 8.397 1.00 0.59 C ATOM 234 O2 DC B 8 -3.284 -5.967 9.426 1.00 0.72 O ATOM 235 N3 DC B 8 -1.340 -5.501 8.390 1.00 0.56 N ATOM 236 C4 DC B 8 -0.682 -5.218 7.258 1.00 0.46 C ATOM 237 N4 DC B 8 0.635 -5.033 7.320 1.00 0.48 N ATOM 238 C5 DC B 8 -1.383 -5.088 6.014 1.00 0.43 C ATOM 239 C6 DC B 8 -2.717 -5.225 6.044 1.00 0.46 C ATOM 0 H5' DC B 8 -7.379 -8.347 5.720 1.00 0.55 H new ATOM 0 H5'' DC B 8 -8.109 -7.107 4.720 1.00 0.55 H new ATOM 0 H4' DC B 8 -7.541 -6.238 6.896 1.00 0.46 H new ATOM 0 H3' DC B 8 -5.932 -5.155 4.525 1.00 0.50 H new ATOM 0 H2' DC B 8 -4.791 -3.726 6.099 1.00 0.53 H new ATOM 0 H2'' DC B 8 -6.117 -3.786 7.244 1.00 0.53 H new ATOM 0 H1' DC B 8 -4.995 -5.481 8.354 1.00 0.52 H new ATOM 0 H41 DC B 8 1.160 -4.816 6.473 1.00 0.48 H new ATOM 0 H42 DC B 8 1.119 -5.108 8.215 1.00 0.48 H new ATOM 0 H5 DC B 8 -0.859 -4.888 5.091 1.00 0.43 H new ATOM 0 H6 DC B 8 -3.281 -5.117 5.129 1.00 0.46 H new ATOM 251 P DG B 9 -7.612 -2.685 4.922 1.00 0.59 P ATOM 252 OP1 DG B 9 -8.938 -2.329 4.369 1.00 0.59 O ATOM 253 OP2 DG B 9 -6.384 -2.306 4.187 1.00 0.82 O ATOM 254 O5' DG B 9 -7.511 -2.079 6.418 1.00 0.46 O ATOM 255 C5' DG B 9 -8.333 -2.577 7.484 1.00 0.35 C ATOM 256 C4' DG B 9 -7.810 -2.177 8.869 1.00 0.32 C ATOM 257 O4' DG B 9 -6.435 -2.586 9.059 1.00 0.39 O ATOM 258 C3' DG B 9 -7.862 -0.678 9.155 1.00 0.36 C ATOM 259 O3' DG B 9 -8.301 -0.451 10.499 1.00 0.38 O ATOM 260 C2' DG B 9 -6.435 -0.271 8.885 1.00 0.41 C ATOM 261 C1' DG B 9 -5.656 -1.442 9.453 1.00 0.36 C ATOM 262 N9 DG B 9 -4.270 -1.520 8.912 1.00 0.36 N ATOM 263 C8 DG B 9 -3.839 -1.412 7.617 1.00 0.40 C ATOM 264 N7 DG B 9 -2.575 -1.616 7.412 1.00 0.40 N ATOM 265 C5 DG B 9 -2.096 -1.849 8.697 1.00 0.33 C ATOM 266 C6 DG B 9 -0.761 -2.062 9.131 1.00 0.32 C ATOM 267 O6 DG B 9 0.254 -2.182 8.456 1.00 0.37 O ATOM 268 N1 DG B 9 -0.674 -2.160 10.506 1.00 0.29 N ATOM 269 C2 DG B 9 -1.744 -2.082 11.369 1.00 0.29 C ATOM 270 N2 DG B 9 -1.447 -2.187 12.660 1.00 0.32 N ATOM 271 N3 DG B 9 -3.010 -1.900 10.971 1.00 0.32 N ATOM 272 C4 DG B 9 -3.113 -1.783 9.623 1.00 0.33 C ATOM 0 H5' DG B 9 -8.386 -3.664 7.420 1.00 0.35 H new ATOM 0 H5'' DG B 9 -9.349 -2.201 7.361 1.00 0.35 H new ATOM 0 H4' DG B 9 -8.484 -2.691 9.554 1.00 0.32 H new ATOM 0 H3' DG B 9 -8.566 -0.100 8.557 1.00 0.36 H new ATOM 0 H2' DG B 9 -6.245 -0.133 7.821 1.00 0.41 H new ATOM 0 H2'' DG B 9 -6.179 0.667 9.378 1.00 0.41 H new ATOM 0 H1' DG B 9 -5.523 -1.362 10.532 1.00 0.36 H new ATOM 0 H8 DG B 9 -4.515 -1.170 6.810 1.00 0.40 H new ATOM 0 H1 DG B 9 0.251 -2.301 10.912 1.00 0.29 H new ATOM 0 H21 DG B 9 -2.188 -2.139 13.359 1.00 0.32 H new ATOM 0 H22 DG B 9 -0.478 -2.316 12.952 1.00 0.32 H new ATOM 284 P DC B 10 -8.511 1.041 11.078 1.00 0.44 P ATOM 285 OP1 DC B 10 -9.665 1.033 12.003 1.00 0.53 O ATOM 286 OP2 DC B 10 -8.467 2.011 9.960 1.00 0.60 O ATOM 287 O5' DC B 10 -7.170 1.207 11.943 1.00 0.40 O ATOM 288 C5' DC B 10 -7.057 0.577 13.222 1.00 0.36 C ATOM 289 C4' DC B 10 -5.671 0.749 13.809 1.00 0.29 C ATOM 290 O4' DC B 10 -4.640 0.095 13.049 1.00 0.29 O ATOM 291 C3' DC B 10 -5.258 2.209 13.884 1.00 0.26 C ATOM 292 O3' DC B 10 -6.002 2.902 14.897 1.00 0.31 O ATOM 293 C2' DC B 10 -3.799 1.959 14.234 1.00 0.29 C ATOM 294 C1' DC B 10 -3.416 0.824 13.272 1.00 0.29 C ATOM 295 N1 DC B 10 -2.673 1.198 12.031 1.00 0.27 N ATOM 296 C2 DC B 10 -1.282 1.281 12.114 1.00 0.31 C ATOM 297 O2 DC B 10 -0.699 1.186 13.191 1.00 0.38 O ATOM 298 N3 DC B 10 -0.571 1.490 10.976 1.00 0.38 N ATOM 299 C4 DC B 10 -1.185 1.628 9.796 1.00 0.36 C ATOM 300 N4 DC B 10 -0.456 1.724 8.683 1.00 0.49 N ATOM 301 C5 DC B 10 -2.610 1.593 9.695 1.00 0.30 C ATOM 302 C6 DC B 10 -3.310 1.363 10.826 1.00 0.27 C ATOM 0 H5' DC B 10 -7.283 -0.485 13.126 1.00 0.36 H new ATOM 0 H5'' DC B 10 -7.796 1.000 13.903 1.00 0.36 H new ATOM 0 H4' DC B 10 -5.755 0.300 14.799 1.00 0.29 H new ATOM 0 H3' DC B 10 -5.424 2.841 13.012 1.00 0.26 H new ATOM 0 H2' DC B 10 -3.186 2.847 14.078 1.00 0.29 H new ATOM 0 H2'' DC B 10 -3.676 1.666 15.277 1.00 0.29 H new ATOM 0 H1' DC B 10 -2.646 0.204 13.732 1.00 0.29 H new ATOM 0 H41 DC B 10 -0.917 1.829 7.779 1.00 0.49 H new ATOM 0 H42 DC B 10 0.562 1.692 8.736 1.00 0.49 H new ATOM 0 H5 DC B 10 -3.108 1.745 8.749 1.00 0.30 H new ATOM 0 H6 DC B 10 -4.388 1.308 10.782 1.00 0.27 H new ATOM 314 P DG B 11 -5.847 4.489 15.126 1.00 0.32 P ATOM 315 OP1 DG B 11 -6.747 4.915 16.222 1.00 0.40 O ATOM 316 OP2 DG B 11 -5.902 5.166 13.811 1.00 0.36 O ATOM 317 O5' DG B 11 -4.341 4.556 15.671 1.00 0.34 O ATOM 318 C5' DG B 11 -3.936 3.786 16.811 1.00 0.34 C ATOM 319 C4' DG B 11 -2.498 4.079 17.198 1.00 0.32 C ATOM 320 O4' DG B 11 -1.578 3.737 16.151 1.00 0.31 O ATOM 321 C3' DG B 11 -2.293 5.563 17.493 1.00 0.36 C ATOM 322 O3' DG B 11 -1.243 5.699 18.456 1.00 0.45 O ATOM 323 C2' DG B 11 -1.912 6.064 16.099 1.00 0.36 C ATOM 324 C1' DG B 11 -1.002 4.950 15.642 1.00 0.31 C ATOM 325 N9 DG B 11 -0.916 4.836 14.173 1.00 0.30 N ATOM 326 C8 DG B 11 -1.900 4.859 13.227 1.00 0.34 C ATOM 327 N7 DG B 11 -1.520 4.661 12.001 1.00 0.36 N ATOM 328 C5 DG B 11 -0.144 4.493 12.143 1.00 0.38 C ATOM 329 C6 DG B 11 0.849 4.275 11.158 1.00 0.44 C ATOM 330 O6 DG B 11 0.723 4.164 9.941 1.00 0.49 O ATOM 331 N1 DG B 11 2.113 4.211 11.717 1.00 0.47 N ATOM 332 C2 DG B 11 2.402 4.315 13.063 1.00 0.42 C ATOM 333 N2 DG B 11 3.683 4.237 13.421 1.00 0.53 N ATOM 334 N3 DG B 11 1.468 4.503 13.993 1.00 0.35 N ATOM 335 C4 DG B 11 0.227 4.595 13.463 1.00 0.33 C ATOM 0 H5' DG B 11 -4.046 2.724 16.592 1.00 0.34 H new ATOM 0 H5'' DG B 11 -4.593 4.007 17.653 1.00 0.34 H new ATOM 0 H4' DG B 11 -2.305 3.474 18.084 1.00 0.32 H new ATOM 0 H3' DG B 11 -3.134 6.108 17.921 1.00 0.36 H new ATOM 0 H2' DG B 11 -2.780 6.182 15.450 1.00 0.36 H new ATOM 0 H2'' DG B 11 -1.403 7.028 16.130 1.00 0.36 H new ATOM 0 H1' DG B 11 0.008 5.146 16.003 1.00 0.31 H new ATOM 0 H8 DG B 11 -2.935 5.032 13.483 1.00 0.34 H new ATOM 0 H1 DG B 11 2.898 4.075 11.080 1.00 0.47 H new ATOM 0 H21 DG B 11 3.943 4.309 14.405 1.00 0.53 H new ATOM 0 H22 DG B 11 4.404 4.106 12.711 1.00 0.53 H new ATOM 347 P DA B 12 -1.212 6.928 19.501 1.00 0.43 P ATOM 348 OP1 DA B 12 -1.192 6.384 20.877 1.00 0.61 O ATOM 349 OP2 DA B 12 -2.265 7.896 19.118 1.00 0.66 O ATOM 350 O5' DA B 12 0.206 7.619 19.199 1.00 0.38 O ATOM 351 C5' DA B 12 1.432 6.946 18.871 1.00 0.26 C ATOM 352 C4' DA B 12 2.020 7.561 17.595 1.00 0.25 C ATOM 353 O4' DA B 12 1.526 7.136 16.312 1.00 0.28 O ATOM 354 C3' DA B 12 2.043 9.064 17.587 1.00 0.27 C ATOM 355 O3' DA B 12 3.402 9.435 17.537 1.00 0.30 O ATOM 356 C2' DA B 12 1.223 9.400 16.364 1.00 0.31 C ATOM 357 C1' DA B 12 1.657 8.286 15.462 1.00 0.27 C ATOM 358 N9 DA B 12 0.892 8.174 14.210 1.00 0.30 N ATOM 359 C8 DA B 12 -0.415 8.439 13.951 1.00 0.36 C ATOM 360 N7 DA B 12 -0.809 8.235 12.726 1.00 0.40 N ATOM 361 C5 DA B 12 0.371 7.823 12.105 1.00 0.37 C ATOM 362 C6 DA B 12 0.688 7.483 10.782 1.00 0.40 C ATOM 363 N6 DA B 12 -0.189 7.486 9.777 1.00 0.47 N ATOM 364 N1 DA B 12 1.959 7.142 10.529 1.00 0.47 N ATOM 365 C2 DA B 12 2.865 7.142 11.494 1.00 0.48 C ATOM 366 N3 DA B 12 2.688 7.444 12.765 1.00 0.44 N ATOM 367 C4 DA B 12 1.402 7.776 13.005 1.00 0.37 C ATOM 0 H5' DA B 12 1.248 5.882 18.725 1.00 0.26 H new ATOM 0 H5'' DA B 12 2.142 7.037 19.693 1.00 0.26 H new ATOM 0 H4' DA B 12 3.019 7.135 17.686 1.00 0.25 H new ATOM 0 H3' DA B 12 1.628 9.590 18.446 1.00 0.27 H new ATOM 0 H2' DA B 12 0.151 9.386 16.561 1.00 0.31 H new ATOM 0 H2'' DA B 12 1.459 10.384 15.958 1.00 0.31 H new ATOM 0 HO3' DA B 12 3.474 10.412 17.528 1.00 0.30 H new ATOM 0 H1' DA B 12 2.666 8.435 15.077 1.00 0.27 H new ATOM 0 H8 DA B 12 -1.088 8.798 14.716 1.00 0.36 H new ATOM 0 H61 DA B 12 0.111 7.227 8.837 1.00 0.47 H new ATOM 0 H62 DA B 12 -1.160 7.747 9.948 1.00 0.47 H new ATOM 0 H2 DA B 12 3.867 6.862 11.206 1.00 0.48 H new TER 380 DA B 12 HETATM 381 C1 DDA B 1 -12.023 -1.428 11.963 1.00 0.41 C HETATM 382 C2 DDA B 1 -12.033 -2.384 10.775 1.00 0.40 C HETATM 383 C3 DDA B 1 -11.735 -1.647 9.483 1.00 0.39 C HETATM 384 C4 DDA B 1 -12.695 -0.470 9.313 1.00 0.45 C HETATM 385 C5 DDA B 1 -12.641 0.424 10.557 1.00 0.56 C HETATM 386 C6 DDA B 1 -13.601 1.602 10.500 1.00 0.75 C HETATM 387 O5 DDA B 1 -12.935 -0.356 11.718 1.00 0.54 O HETATM 388 O1 DDA B 1 -12.389 -2.134 13.153 1.00 0.47 O HETATM 389 O3 DDA B 1 -11.846 -2.532 8.388 1.00 0.45 O HETATM 390 O4 DDA B 1 -12.341 0.270 8.163 1.00 0.51 O HETATM 0 HO4 DDA B 1 -13.107 0.807 7.871 1.00 0.51 H new HETATM 0 HO3 DDA B 1 -11.654 -2.050 7.557 1.00 0.45 H new HETATM 0 H63 DDA B 1 -13.360 2.226 9.639 1.00 0.75 H new HETATM 0 H62 DDA B 1 -14.623 1.234 10.407 1.00 0.75 H new HETATM 0 H61 DDA B 1 -13.509 2.191 11.413 1.00 0.75 H new HETATM 0 H5 DDA B 1 -11.632 0.834 10.599 1.00 0.56 H new HETATM 0 H4 DDA B 1 -13.711 -0.845 9.192 1.00 0.45 H new HETATM 0 H3 DDA B 1 -10.716 -1.261 9.522 1.00 0.39 H new HETATM 0 H22 DDA B 1 -11.293 -3.169 10.929 1.00 0.40 H new HETATM 0 H21 DDA B 1 -13.005 -2.872 10.704 1.00 0.40 H new HETATM 0 H1 DDA B 1 -11.022 -1.017 12.095 1.00 0.41 H new HETATM 402 C1 DDA B 2 -9.348 -2.528 15.380 1.00 0.35 C HETATM 403 C2 DDA B 2 -10.182 -2.608 14.106 1.00 0.36 C HETATM 404 C3 DDA B 2 -11.550 -1.937 14.300 1.00 0.43 C HETATM 405 C4 DDA B 2 -12.247 -2.511 15.527 1.00 0.47 C HETATM 406 C5 DDA B 2 -11.304 -2.268 16.699 1.00 0.44 C HETATM 407 C6 DDA B 2 -11.938 -2.628 18.066 1.00 0.48 C HETATM 408 O5 DDA B 2 -10.114 -3.028 16.478 1.00 0.37 O HETATM 409 O1 DDA B 2 -8.119 -3.247 15.183 1.00 0.34 O HETATM 410 O4 DDA B 2 -13.485 -1.858 15.733 1.00 0.55 O HETATM 0 HO4 DDA B 2 -13.909 -1.680 14.868 1.00 0.55 H new HETATM 0 H63 DDA B 2 -12.829 -2.021 18.225 1.00 0.48 H new HETATM 0 H62 DDA B 2 -12.212 -3.683 18.073 1.00 0.48 H new HETATM 0 H61 DDA B 2 -11.220 -2.434 18.863 1.00 0.48 H new HETATM 0 H5 DDA B 2 -11.079 -1.203 16.747 1.00 0.44 H new HETATM 0 H4 DDA B 2 -12.461 -3.573 15.411 1.00 0.47 H new HETATM 0 H22 DDA B 2 -9.649 -2.125 13.287 1.00 0.36 H new HETATM 0 H21 DDA B 2 -10.322 -3.651 13.824 1.00 0.36 H new HETATM 0 H1 DDA B 2 -9.087 -1.496 15.614 1.00 0.35 H new HETATM 421 C1 DDA B 4 -0.587 2.450 20.667 1.00 0.30 C HETATM 422 C2 DDA B 4 0.378 3.495 20.145 1.00 0.35 C HETATM 423 C3 DDA B 4 1.766 3.311 20.675 1.00 0.31 C HETATM 424 C4 DDA B 4 1.767 3.087 22.195 1.00 0.28 C HETATM 425 C5 DDA B 4 0.776 1.999 22.620 1.00 0.27 C HETATM 426 C6 DDA B 4 0.611 1.772 24.243 1.00 0.32 C HETATM 427 O5 DDA B 4 -0.511 2.344 22.096 1.00 0.26 O HETATM 428 O1 DDA B 4 -1.916 2.766 20.240 1.00 0.28 O HETATM 429 O4 DDA B 4 3.062 2.759 22.651 1.00 0.35 O HETATM 0 HO4 DDA B 4 3.707 3.407 22.299 1.00 0.35 H new HETATM 0 H63 DDA B 4 1.573 1.490 24.671 1.00 0.32 H new HETATM 0 H62 DDA B 4 0.265 2.696 24.706 1.00 0.32 H new HETATM 0 H61 DDA B 4 -0.114 0.980 24.428 1.00 0.32 H new HETATM 0 H5 DDA B 4 1.180 1.066 22.228 1.00 0.27 H new HETATM 0 H4 DDA B 4 1.450 4.024 22.652 1.00 0.28 H new HETATM 0 H22 DDA B 4 0.400 3.452 19.056 1.00 0.35 H new HETATM 0 H21 DDA B 4 0.017 4.487 20.418 1.00 0.35 H new HETATM 0 H1 DDA B 4 -0.310 1.479 20.257 1.00 0.30 H new HETATM 440 C1 DDL B 5 3.883 4.356 20.010 1.00 0.28 C HETATM 441 C2 DDL B 5 4.236 5.547 19.107 1.00 0.25 C HETATM 442 C3 DDL B 5 5.774 5.506 18.824 1.00 0.25 C HETATM 443 C4 DDL B 5 6.519 5.506 20.155 1.00 0.27 C HETATM 444 C5 DDL B 5 6.090 4.347 21.025 1.00 0.32 C HETATM 445 C6 DDL B 5 6.769 4.334 22.417 1.00 0.41 C HETATM 446 O1 DDL B 5 2.501 4.486 20.328 1.00 0.31 O HETATM 447 O5 DDL B 5 4.673 4.386 21.205 1.00 0.35 O HETATM 448 O4 DDL B 5 6.340 6.734 20.837 1.00 0.35 O HETATM 0 HO4 DDL B 5 6.130 7.440 20.190 1.00 0.35 H new HETATM 0 H63 DDL B 5 7.850 4.266 22.294 1.00 0.41 H new HETATM 0 H62 DDL B 5 6.521 5.251 22.951 1.00 0.41 H new HETATM 0 H61 DDL B 5 6.414 3.475 22.987 1.00 0.41 H new HETATM 0 H5 DDL B 5 6.401 3.440 20.507 1.00 0.32 H new HETATM 0 H4 DDL B 5 7.580 5.387 19.937 1.00 0.27 H new HETATM 0 H22 DDL B 5 3.676 5.495 18.173 1.00 0.25 H new HETATM 0 H21 DDL B 5 3.963 6.485 19.591 1.00 0.25 H new HETATM 0 H1 DDL B 5 4.085 3.409 19.509 1.00 0.28 H new HETATM 459 C1 DDA A 7 12.087 0.473 17.141 1.00 0.51 C HETATM 460 C2 DDA A 7 12.589 1.414 16.051 1.00 0.48 C HETATM 461 C3 DDA A 7 12.847 0.658 14.761 1.00 0.52 C HETATM 462 C4 DDA A 7 13.788 -0.517 15.017 1.00 0.61 C HETATM 463 C5 DDA A 7 13.224 -1.394 16.140 1.00 0.68 C HETATM 464 C6 DDA A 7 14.119 -2.571 16.499 1.00 0.86 C HETATM 465 O5 DDA A 7 13.015 -0.598 17.308 1.00 0.64 O HETATM 466 O1 DDA A 7 11.932 1.196 18.368 1.00 0.54 O HETATM 467 O3 DDA A 7 13.402 1.530 13.798 1.00 0.56 O HETATM 468 O4 DDA A 7 13.936 -1.274 13.833 1.00 0.67 O HETATM 0 HO4 DDA A 7 14.753 -1.812 13.889 1.00 0.67 H new HETATM 0 HO3 DDA A 7 13.984 1.023 13.194 1.00 0.56 H new HETATM 0 H63 DDA A 7 14.252 -3.207 15.624 1.00 0.86 H new HETATM 0 H62 DDA A 7 15.090 -2.202 16.830 1.00 0.86 H new HETATM 0 H61 DDA A 7 13.658 -3.148 17.301 1.00 0.86 H new HETATM 0 H5 DDA A 7 12.286 -1.806 15.769 1.00 0.68 H new HETATM 0 H4 DDA A 7 14.765 -0.141 15.320 1.00 0.61 H new HETATM 0 H3 DDA A 7 11.902 0.268 14.382 1.00 0.52 H new HETATM 0 H22 DDA A 7 11.854 2.200 15.876 1.00 0.48 H new HETATM 0 H21 DDA A 7 13.506 1.903 16.381 1.00 0.48 H new HETATM 0 H1 DDA A 7 11.120 0.061 16.854 1.00 0.51 H new HETATM 480 C1 DDA A 8 8.245 1.611 19.138 1.00 0.36 C HETATM 481 C2 DDA A 8 9.530 1.676 18.320 1.00 0.39 C HETATM 482 C3 DDA A 8 10.695 1.013 19.069 1.00 0.49 C HETATM 483 C4 DDA A 8 10.827 1.604 20.466 1.00 0.55 C HETATM 484 C5 DDA A 8 9.485 1.375 21.150 1.00 0.49 C HETATM 485 C6 DDA A 8 9.501 1.756 22.652 1.00 0.56 C HETATM 486 O5 DDA A 8 8.493 2.127 20.448 1.00 0.40 O HETATM 487 O1 DDA A 8 7.209 2.324 18.444 1.00 0.33 O HETATM 488 O4 DDA A 8 11.868 0.958 21.172 1.00 0.64 O HETATM 0 HO4 DDA A 8 12.546 0.642 20.539 1.00 0.64 H new HETATM 0 H63 DDA A 8 10.246 1.154 23.172 1.00 0.56 H new HETATM 0 H62 DDA A 8 9.751 2.812 22.757 1.00 0.56 H new HETATM 0 H61 DDA A 8 8.518 1.571 23.085 1.00 0.56 H new HETATM 0 H5 DDA A 8 9.257 0.310 21.116 1.00 0.49 H new HETATM 0 H4 DDA A 8 11.074 2.665 20.433 1.00 0.55 H new HETATM 0 H22 DDA A 8 9.380 1.179 17.361 1.00 0.39 H new HETATM 0 H21 DDA A 8 9.776 2.716 18.105 1.00 0.39 H new HETATM 0 H1 DDA A 8 7.907 0.581 19.256 1.00 0.36 H new HETATM 499 C1 DDA A 10 -1.931 -3.321 20.413 1.00 0.29 C HETATM 500 C2 DDA A 10 -2.598 -4.376 19.554 1.00 0.35 C HETATM 501 C3 DDA A 10 -4.081 -4.188 19.463 1.00 0.32 C HETATM 502 C4 DDA A 10 -4.707 -3.944 20.846 1.00 0.26 C HETATM 503 C5 DDA A 10 -3.975 -2.848 21.626 1.00 0.26 C HETATM 504 C6 DDA A 10 -4.491 -2.599 23.169 1.00 0.30 C HETATM 505 O5 DDA A 10 -2.588 -3.196 21.683 1.00 0.25 O HETATM 506 O1 DDA A 10 -0.543 -3.638 20.576 1.00 0.26 O HETATM 507 O4 DDA A 10 -6.073 -3.614 20.723 1.00 0.34 O HETATM 0 HO4 DDA A 10 -6.507 -4.241 20.107 1.00 0.34 H new HETATM 0 H63 DDA A 10 -5.543 -2.314 23.159 1.00 0.30 H new HETATM 0 H62 DDA A 10 -4.369 -3.516 23.746 1.00 0.30 H new HETATM 0 H61 DDA A 10 -3.903 -1.802 23.625 1.00 0.30 H new HETATM 0 H5 DDA A 10 -4.179 -1.922 21.089 1.00 0.26 H new HETATM 0 H4 DDA A 10 -4.609 -4.873 21.407 1.00 0.26 H new HETATM 0 H22 DDA A 10 -2.169 -4.348 18.552 1.00 0.35 H new HETATM 0 H21 DDA A 10 -2.385 -5.363 19.965 1.00 0.35 H new HETATM 0 H1 DDA A 10 -2.013 -2.357 19.912 1.00 0.29 H new HETATM 518 C1 DDL A 11 -5.738 -5.249 17.999 1.00 0.29 C HETATM 519 C2 DDL A 11 -5.691 -6.452 17.047 1.00 0.27 C HETATM 520 C3 DDL A 11 -6.976 -6.420 16.154 1.00 0.28 C HETATM 521 C4 DDL A 11 -8.203 -6.403 17.061 1.00 0.32 C HETATM 522 C5 DDL A 11 -8.168 -5.231 18.015 1.00 0.35 C HETATM 523 C6 DDL A 11 -9.359 -5.201 19.003 1.00 0.46 C HETATM 524 O1 DDL A 11 -4.611 -5.370 18.861 1.00 0.31 O HETATM 525 O5 DDL A 11 -6.950 -5.263 18.763 1.00 0.37 O HETATM 526 O4 DDL A 11 -8.326 -7.620 17.772 1.00 0.37 O HETATM 0 HO4 DDL A 11 -7.899 -8.341 17.264 1.00 0.37 H new HETATM 0 H63 DDL A 11 -10.293 -5.138 18.445 1.00 0.46 H new HETATM 0 H62 DDL A 11 -9.356 -6.110 19.604 1.00 0.46 H new HETATM 0 H61 DDL A 11 -9.268 -4.333 19.657 1.00 0.46 H new HETATM 0 H5 DDL A 11 -8.236 -4.332 17.402 1.00 0.35 H new HETATM 0 H4 DDL A 11 -9.079 -6.289 16.423 1.00 0.32 H new HETATM 0 H22 DDL A 11 -4.796 -6.411 16.426 1.00 0.27 H new HETATM 0 H21 DDL A 11 -5.644 -7.383 17.613 1.00 0.27 H new HETATM 0 H1 DDL A 11 -5.713 -4.310 17.445 1.00 0.29 H new HETATM 537 MG MG A 13 -0.452 -0.459 16.794 1.00 0.23 MG HETATM 538 C1 CRH B 3 -2.674 0.920 18.902 1.00 0.20 C HETATM 539 C2 CRH B 3 -2.844 1.681 20.219 1.00 0.22 C HETATM 540 C3 CRH B 3 -4.306 2.049 20.455 1.00 0.19 C HETATM 541 C4 CRH B 3 -5.135 0.788 20.326 1.00 0.18 C HETATM 542 C5 CRH B 3 -7.012 -1.902 16.829 1.00 0.29 C HETATM 543 C6 CRH B 3 -6.971 -2.636 15.671 1.00 0.32 C HETATM 544 C7 CRH B 3 -5.786 -2.694 14.969 1.00 0.25 C HETATM 545 C8 CRH B 3 -4.668 -2.018 15.431 1.00 0.20 C HETATM 546 C9 CRH B 3 -3.605 -0.535 17.122 1.00 0.17 C HETATM 547 C10 CRH B 3 -6.009 -0.515 18.451 1.00 0.22 C HETATM 548 C11 CRH B 3 -5.900 -1.231 17.292 1.00 0.21 C HETATM 549 C12 CRH B 3 -4.697 -1.258 16.608 1.00 0.17 C HETATM 550 C13 CRH B 3 -3.715 0.193 18.320 1.00 0.17 C HETATM 551 C14 CRH B 3 -4.945 0.179 18.955 1.00 0.18 C HETATM 552 C15 CRH B 3 -5.787 -3.370 13.602 1.00 0.29 C HETATM 553 O1 CRH B 3 -1.578 0.948 18.351 1.00 0.25 O HETATM 554 O8 CRH B 3 -3.535 -2.175 14.655 1.00 0.25 O HETATM 555 O9 CRH B 3 -2.454 -0.479 16.336 1.00 0.24 O HETATM 556 C1' CRH B 3 -4.452 2.767 21.803 1.00 0.24 C HETATM 557 C2' CRH B 3 -5.757 3.555 21.826 1.00 0.28 C HETATM 558 C3' CRH B 3 -5.809 4.922 21.143 1.00 0.44 C HETATM 559 C4' CRH B 3 -6.502 4.843 19.763 1.00 0.57 C HETATM 560 C1M CRH B 3 -3.683 2.573 24.116 1.00 0.40 C HETATM 561 C4M CRH B 3 -7.976 4.427 19.766 1.00 0.67 C HETATM 562 O1' CRH B 3 -4.274 1.968 22.972 1.00 0.32 O HETATM 563 O2' CRH B 3 -6.765 3.080 22.351 1.00 0.36 O HETATM 564 O3' CRH B 3 -4.510 5.424 20.835 1.00 0.61 O HETATM 565 O4' CRH B 3 -6.519 6.156 19.218 1.00 0.79 O HETATM 0 H4'3 CRH B 3 -8.073 3.435 20.207 1.00 0.67 H new HETATM 0 H4'2 CRH B 3 -8.555 5.142 20.351 1.00 0.67 H new HETATM 0 H4'1 CRH B 3 -8.351 4.408 18.743 1.00 0.67 H new HETATM 0 H153 CRH B 3 -6.099 -4.409 13.710 1.00 0.29 H new HETATM 0 H152 CRH B 3 -6.479 -2.850 12.940 1.00 0.29 H new HETATM 0 H151 CRH B 3 -4.783 -3.335 13.178 1.00 0.29 H new HETATM 0 H1'3 CRH B 3 -2.684 2.929 23.864 1.00 0.40 H new HETATM 0 H1'2 CRH B 3 -4.296 3.413 24.441 1.00 0.40 H new HETATM 0 H1'1 CRH B 3 -3.615 1.841 24.921 1.00 0.40 H new HETATM 0 HO8 CRH B 3 -2.803 -1.645 15.034 1.00 0.25 H new HETATM 0 HO4 CRH B 3 -6.554 6.104 18.240 1.00 0.79 H new HETATM 0 HO3 CRH B 3 -4.573 6.063 20.094 1.00 0.61 H new HETATM 0 H5 CRH B 3 -7.942 -1.848 17.395 1.00 0.29 H new HETATM 0 H42 CRH B 3 -4.843 0.072 21.094 1.00 0.18 H new HETATM 0 H41 CRH B 3 -6.188 1.018 20.488 1.00 0.18 H new HETATM 0 H4' CRH B 3 -5.938 4.089 19.215 1.00 0.57 H new HETATM 0 H3' CRH B 3 -6.341 5.557 21.852 1.00 0.44 H new HETATM 0 H3 CRH B 3 -4.674 2.755 19.710 1.00 0.19 H new HETATM 0 H22 CRH B 3 -2.482 1.070 21.045 1.00 0.22 H new HETATM 0 H10 CRH B 3 -6.961 -0.497 18.982 1.00 0.22 H new HETATM 0 H1' CRH B 3 -3.604 3.449 21.862 1.00 0.24 H new HETATM 587 C1 MDA B 6 6.247 6.450 16.643 1.00 0.25 C HETATM 588 C2 MDA B 6 6.131 7.800 15.941 1.00 0.29 C HETATM 589 C3 MDA B 6 6.210 7.655 14.409 1.00 0.32 C HETATM 590 C4 MDA B 6 7.520 6.914 14.067 1.00 0.26 C HETATM 591 C5 MDA B 6 7.584 5.580 14.832 1.00 0.25 C HETATM 592 C6 MDA B 6 8.944 4.857 14.574 1.00 0.30 C HETATM 593 C3' MDA B 6 6.197 9.026 13.703 1.00 0.40 C HETATM 594 O1 MDA B 6 6.197 6.644 18.057 1.00 0.28 O HETATM 595 O5 MDA B 6 7.466 5.818 16.239 1.00 0.23 O HETATM 596 O3 MDA B 6 5.106 6.894 13.960 1.00 0.40 O HETATM 597 O4 MDA B 6 7.586 6.666 12.675 1.00 0.32 O HETATM 0 H3'3 MDA B 6 5.276 9.554 13.950 1.00 0.40 H new HETATM 0 H3'2 MDA B 6 7.052 9.615 14.035 1.00 0.40 H new HETATM 0 H3'1 MDA B 6 6.254 8.880 12.624 1.00 0.40 H new HETATM 0 HO4 MDA B 6 6.679 6.584 12.314 1.00 0.32 H new HETATM 0 HO3 MDA B 6 4.427 7.493 13.584 1.00 0.40 H new HETATM 0 H63 MDA B 6 9.053 4.656 13.508 1.00 0.30 H new HETATM 0 H62 MDA B 6 9.763 5.493 14.909 1.00 0.30 H new HETATM 0 H61 MDA B 6 8.966 3.917 15.125 1.00 0.30 H new HETATM 0 H5 MDA B 6 6.764 4.954 14.480 1.00 0.25 H new HETATM 0 H4 MDA B 6 8.364 7.538 14.361 1.00 0.26 H new HETATM 0 H22 MDA B 6 5.187 8.272 16.214 1.00 0.29 H new HETATM 0 H21 MDA B 6 6.928 8.459 16.286 1.00 0.29 H new HETATM 0 H1 MDA B 6 5.417 5.801 16.365 1.00 0.25 H new HETATM 611 C1 CRH A 9 0.702 -1.809 19.644 1.00 0.22 C HETATM 612 C2 CRH A 9 0.313 -2.551 20.926 1.00 0.21 C HETATM 613 C3 CRH A 9 1.548 -2.912 21.748 1.00 0.15 C HETATM 614 C4 CRH A 9 2.359 -1.650 21.954 1.00 0.18 C HETATM 615 C5 CRH A 9 5.516 0.999 19.505 1.00 0.28 C HETATM 616 C6 CRH A 9 5.959 1.716 18.424 1.00 0.29 C HETATM 617 C7 CRH A 9 5.168 1.762 17.294 1.00 0.24 C HETATM 618 C8 CRH A 9 3.959 1.088 17.264 1.00 0.23 C HETATM 619 C9 CRH A 9 2.288 -0.375 18.387 1.00 0.19 C HETATM 620 C10 CRH A 9 3.930 -0.369 20.589 1.00 0.22 C HETATM 621 C11 CRH A 9 4.311 0.330 19.478 1.00 0.22 C HETATM 622 C12 CRH A 9 3.498 0.345 18.358 1.00 0.20 C HETATM 623 C13 CRH A 9 1.894 -1.085 19.534 1.00 0.17 C HETATM 624 C14 CRH A 9 2.752 -1.061 20.619 1.00 0.17 C HETATM 625 C15 CRH A 9 5.734 2.420 16.041 1.00 0.32 C HETATM 626 O1 CRH A 9 -0.068 -1.848 18.690 1.00 0.29 O HETATM 627 O8 CRH A 9 3.246 1.232 16.088 1.00 0.30 O HETATM 628 O9 CRH A 9 1.563 -0.444 17.198 1.00 0.28 O HETATM 629 C1' CRH A 9 1.123 -3.610 23.046 1.00 0.18 C HETATM 630 C2' CRH A 9 2.301 -4.395 23.615 1.00 0.19 C HETATM 631 C3' CRH A 9 2.626 -5.772 23.032 1.00 0.37 C HETATM 632 C4' CRH A 9 3.825 -5.708 22.059 1.00 0.53 C HETATM 633 C1M CRH A 9 -0.530 -3.389 24.833 1.00 0.36 C HETATM 634 C4M CRH A 9 5.169 -5.288 22.662 1.00 0.61 C HETATM 635 O1' CRH A 9 0.481 -2.796 24.026 1.00 0.29 O HETATM 636 O2' CRH A 9 3.004 -3.910 24.502 1.00 0.33 O HETATM 637 O3' CRH A 9 1.566 -6.280 22.222 1.00 0.57 O HETATM 638 O4' CRH A 9 4.062 -7.028 21.585 1.00 0.76 O HETATM 0 H4'3 CRH A 9 5.079 -4.290 23.091 1.00 0.61 H new HETATM 0 H4'2 CRH A 9 5.455 -5.994 23.442 1.00 0.61 H new HETATM 0 H4'1 CRH A 9 5.931 -5.280 21.883 1.00 0.61 H new HETATM 0 H153 CRH A 9 5.977 3.461 16.255 1.00 0.32 H new HETATM 0 H152 CRH A 9 6.636 1.894 15.729 1.00 0.32 H new HETATM 0 H151 CRH A 9 4.994 2.377 15.242 1.00 0.32 H new HETATM 0 H1'3 CRH A 9 -1.337 -3.753 24.197 1.00 0.36 H new HETATM 0 H1'2 CRH A 9 -0.106 -4.222 25.393 1.00 0.36 H new HETATM 0 H1'1 CRH A 9 -0.923 -2.647 25.528 1.00 0.36 H new HETATM 0 HO8 CRH A 9 2.406 0.732 16.152 1.00 0.30 H new HETATM 0 HO4 CRH A 9 4.538 -6.988 20.729 1.00 0.76 H new HETATM 0 HO3 CRH A 9 1.923 -6.939 21.591 1.00 0.57 H new HETATM 0 H5 CRH A 9 6.129 0.957 20.405 1.00 0.28 H new HETATM 0 H42 CRH A 9 1.778 -0.924 22.524 1.00 0.18 H new HETATM 0 H41 CRH A 9 3.251 -1.873 22.538 1.00 0.18 H new HETATM 0 H4' CRH A 9 3.537 -4.962 21.318 1.00 0.53 H new HETATM 0 H3' CRH A 9 2.817 -6.397 23.904 1.00 0.37 H new HETATM 0 H3 CRH A 9 2.188 -3.627 21.232 1.00 0.15 H new HETATM 0 H22 CRH A 9 -0.355 -1.929 21.522 1.00 0.21 H new HETATM 0 H10 CRH A 9 4.577 -0.375 21.466 1.00 0.22 H new HETATM 0 H1' CRH A 9 0.323 -4.293 22.761 1.00 0.18 H new HETATM 660 C1 MDA A 12 -6.512 -7.393 13.985 1.00 0.29 C HETATM 661 C2 MDA A 12 -6.121 -8.751 13.412 1.00 0.33 C HETATM 662 C3 MDA A 12 -5.560 -8.628 11.981 1.00 0.35 C HETATM 663 C4 MDA A 12 -6.611 -7.896 11.121 1.00 0.31 C HETATM 664 C5 MDA A 12 -6.981 -6.552 11.774 1.00 0.27 C HETATM 665 C6 MDA A 12 -8.113 -5.836 10.968 1.00 0.27 C HETATM 666 C3' MDA A 12 -5.262 -10.008 11.361 1.00 0.42 C HETATM 667 O1 MDA A 12 -7.049 -7.568 15.298 1.00 0.32 O HETATM 668 O5 MDA A 12 -7.454 -6.771 13.107 1.00 0.28 O HETATM 669 O3 MDA A 12 -4.368 -7.869 12.018 1.00 0.37 O HETATM 670 O4 MDA A 12 -6.097 -7.666 9.822 1.00 0.36 O HETATM 0 H3'3 MDA A 12 -4.526 -10.530 11.973 1.00 0.42 H new HETATM 0 H3'2 MDA A 12 -6.180 -10.594 11.319 1.00 0.42 H new HETATM 0 H3'1 MDA A 12 -4.869 -9.877 10.353 1.00 0.42 H new HETATM 0 HO4 MDA A 12 -5.129 -7.522 9.874 1.00 0.36 H new HETATM 0 HO3 MDA A 12 -3.596 -8.470 11.963 1.00 0.37 H new HETATM 0 H63 MDA A 12 -7.772 -5.649 9.950 1.00 0.27 H new HETATM 0 H62 MDA A 12 -8.999 -6.470 10.944 1.00 0.27 H new HETATM 0 H61 MDA A 12 -8.358 -4.889 11.448 1.00 0.27 H new HETATM 0 H5 MDA A 12 -6.087 -5.928 11.783 1.00 0.27 H new HETATM 0 H4 MDA A 12 -7.503 -8.518 11.050 1.00 0.31 H new HETATM 0 H22 MDA A 12 -5.375 -9.216 14.056 1.00 0.33 H new HETATM 0 H21 MDA A 12 -6.991 -9.407 13.406 1.00 0.33 H new HETATM 0 H1 MDA A 12 -5.639 -6.745 14.065 1.00 0.29 H new