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= -0.454 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : A 7 DDA O3 : rot 155:sc= 0 USER MOD Single : A 7 DDA O4 : rot 170:sc= 0 USER MOD Single : A 8 DDA O4 : rot 35:sc= 0.00843 USER MOD Single : A 9 CRH O3' : rot 102:sc= 0.0176 USER MOD Single : A 9 CRH O4' : rot 180:sc= -0.448 USER MOD Single : A 9 CRH O8 : rot -175:sc= 1.8 USER MOD Single : A 10 DDA O4 : rot 48:sc= 0.982 USER MOD Single : A 11 DDL O4 : rot -28:sc= 0.0208 USER MOD Single : A 12 MDA O3 : rot 86:sc= 0.83 USER MOD Single : A 12 MDA O4 : rot 160:sc=-0.00125 USER MOD Single : B 1 DDA O3 : rot 155:sc= 0 USER MOD Single : B 1 DDA O4 : rot 170:sc= 0 USER MOD Single : B 2 DDA O4 : rot 26:sc= 0.00556 USER MOD Single : B 3 CRH O3' : rot 94:sc= 0.0238 USER MOD Single : B 3 CRH O4' : rot 180:sc= -0.458 USER MOD Single : B 3 CRH O8 : rot -168:sc= 1.75 USER MOD Single : B 4 DDA O4 : rot 48:sc= 0.997 USER MOD Single : B 5 DDL O4 : rot -24:sc= 0.0211 USER MOD Single : B 6 MDA O3 : rot 86:sc= 0.836 USER MOD Single : B 6 MDA O4 : rot 160:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= -0.464 USER MOD Single : B 12 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 5.731 9.490 3.143 1.00 0.30 O ATOM 2 C5' DT A 1 7.086 9.894 3.358 1.00 0.23 C ATOM 3 C4' DT A 1 7.582 9.548 4.765 1.00 0.19 C ATOM 4 O4' DT A 1 6.740 10.157 5.764 1.00 0.24 O ATOM 5 C3' DT A 1 7.507 8.040 5.042 1.00 0.16 C ATOM 6 O3' DT A 1 8.635 7.306 4.552 1.00 0.21 O ATOM 7 C2' DT A 1 7.421 8.030 6.566 1.00 0.25 C ATOM 8 C1' DT A 1 6.453 9.201 6.806 1.00 0.30 C ATOM 9 N1 DT A 1 5.036 8.749 6.860 1.00 0.35 N ATOM 10 C2 DT A 1 4.615 8.097 8.011 1.00 0.48 C ATOM 11 O2 DT A 1 5.363 7.819 8.949 1.00 0.60 O ATOM 12 N3 DT A 1 3.278 7.764 8.054 1.00 0.52 N ATOM 13 C4 DT A 1 2.350 7.937 7.050 1.00 0.47 C ATOM 14 O4 DT A 1 1.184 7.592 7.243 1.00 0.57 O ATOM 15 C5 DT A 1 2.889 8.550 5.856 1.00 0.42 C ATOM 16 C7 DT A 1 2.001 8.728 4.619 1.00 0.58 C ATOM 17 C6 DT A 1 4.171 8.966 5.816 1.00 0.30 C ATOM 0 H5' DT A 1 7.171 10.969 3.200 1.00 0.23 H new ATOM 0 H5'' DT A 1 7.728 9.411 2.621 1.00 0.23 H new ATOM 0 H4' DT A 1 8.610 9.907 4.814 1.00 0.19 H new ATOM 0 H3' DT A 1 6.677 7.547 4.536 1.00 0.16 H new ATOM 0 H2' DT A 1 7.033 7.087 6.952 1.00 0.25 H new ATOM 0 H2'' DT A 1 8.391 8.192 7.036 1.00 0.25 H new ATOM 0 HO5' DT A 1 5.458 9.732 2.234 1.00 0.30 H new ATOM 0 H1' DT A 1 6.596 9.667 7.781 1.00 0.30 H new ATOM 0 H3 DT A 1 2.940 7.345 8.920 1.00 0.52 H new ATOM 0 H71 DT A 1 2.324 9.608 4.063 1.00 0.58 H new ATOM 0 H72 DT A 1 2.082 7.847 3.983 1.00 0.58 H new ATOM 0 H73 DT A 1 0.964 8.856 4.931 1.00 0.58 H new ATOM 0 H6 DT A 1 4.527 9.484 4.938 1.00 0.30 H new ATOM 31 P DC A 2 8.580 5.703 4.343 1.00 0.21 P ATOM 32 OP1 DC A 2 9.791 5.294 3.598 1.00 0.28 O ATOM 33 OP2 DC A 2 7.241 5.347 3.821 1.00 0.28 O ATOM 34 O5' DC A 2 8.693 5.139 5.847 1.00 0.22 O ATOM 35 C5' DC A 2 9.813 5.435 6.692 1.00 0.24 C ATOM 36 C4' DC A 2 9.465 5.228 8.168 1.00 0.23 C ATOM 37 O4' DC A 2 8.313 6.001 8.552 1.00 0.22 O ATOM 38 C3' DC A 2 9.099 3.800 8.479 1.00 0.23 C ATOM 39 O3' DC A 2 10.244 2.947 8.592 1.00 0.29 O ATOM 40 C2' DC A 2 8.365 4.011 9.797 1.00 0.21 C ATOM 41 C1' DC A 2 7.509 5.208 9.450 1.00 0.22 C ATOM 42 N1 DC A 2 6.169 4.816 8.943 1.00 0.20 N ATOM 43 C2 DC A 2 5.205 4.386 9.850 1.00 0.24 C ATOM 44 O2 DC A 2 5.452 4.251 11.046 1.00 0.29 O ATOM 45 N3 DC A 2 3.967 4.095 9.374 1.00 0.30 N ATOM 46 C4 DC A 2 3.671 4.218 8.075 1.00 0.32 C ATOM 47 N4 DC A 2 2.424 3.991 7.666 1.00 0.41 N ATOM 48 C5 DC A 2 4.667 4.625 7.134 1.00 0.30 C ATOM 49 C6 DC A 2 5.888 4.905 7.616 1.00 0.25 C ATOM 0 H5' DC A 2 10.130 6.466 6.532 1.00 0.24 H new ATOM 0 H5'' DC A 2 10.654 4.797 6.421 1.00 0.24 H new ATOM 0 H4' DC A 2 10.362 5.531 8.708 1.00 0.23 H new ATOM 0 H3' DC A 2 8.516 3.290 7.712 1.00 0.23 H new ATOM 0 H2' DC A 2 7.769 3.144 10.082 1.00 0.21 H new ATOM 0 H2'' DC A 2 9.047 4.215 10.623 1.00 0.21 H new ATOM 0 H1' DC A 2 7.246 5.808 10.321 1.00 0.22 H new ATOM 0 H41 DC A 2 2.187 4.082 6.678 1.00 0.41 H new ATOM 0 H42 DC A 2 1.706 3.726 8.341 1.00 0.41 H new ATOM 0 H5 DC A 2 4.446 4.704 6.080 1.00 0.30 H new ATOM 0 H6 DC A 2 6.667 5.209 6.932 1.00 0.25 H new ATOM 61 P DG A 3 10.139 1.336 8.557 1.00 0.29 P ATOM 62 OP1 DG A 3 11.502 0.788 8.387 1.00 0.36 O ATOM 63 OP2 DG A 3 9.070 0.957 7.607 1.00 0.36 O ATOM 64 O5' DG A 3 9.633 0.979 10.042 1.00 0.26 O ATOM 65 C5' DG A 3 10.242 1.520 11.220 1.00 0.21 C ATOM 66 C4' DG A 3 9.416 1.192 12.464 1.00 0.18 C ATOM 67 O4' DG A 3 8.055 1.639 12.293 1.00 0.21 O ATOM 68 C3' DG A 3 9.341 -0.310 12.755 1.00 0.17 C ATOM 69 O3' DG A 3 9.174 -0.555 14.157 1.00 0.16 O ATOM 70 C2' DG A 3 8.128 -0.672 11.943 1.00 0.19 C ATOM 71 C1' DG A 3 7.194 0.487 12.257 1.00 0.17 C ATOM 72 N9 DG A 3 6.147 0.656 11.218 1.00 0.18 N ATOM 73 C8 DG A 3 6.280 0.711 9.858 1.00 0.19 C ATOM 74 N7 DG A 3 5.192 0.894 9.180 1.00 0.20 N ATOM 75 C5 DG A 3 4.223 0.937 10.178 1.00 0.22 C ATOM 76 C6 DG A 3 2.821 1.093 10.058 1.00 0.21 C ATOM 77 O6 DG A 3 2.151 1.232 9.041 1.00 0.22 O ATOM 78 N1 DG A 3 2.194 1.100 11.289 1.00 0.21 N ATOM 79 C2 DG A 3 2.838 0.977 12.502 1.00 0.21 C ATOM 80 N2 DG A 3 2.065 1.033 13.581 1.00 0.24 N ATOM 81 N3 DG A 3 4.163 0.833 12.626 1.00 0.22 N ATOM 82 C4 DG A 3 4.792 0.818 11.425 1.00 0.21 C ATOM 0 H5' DG A 3 10.340 2.601 11.119 1.00 0.21 H new ATOM 0 H5'' DG A 3 11.249 1.117 11.331 1.00 0.21 H new ATOM 0 H4' DG A 3 9.918 1.699 13.288 1.00 0.18 H new ATOM 0 H3' DG A 3 10.230 -0.888 12.502 1.00 0.17 H new ATOM 0 H2' DG A 3 8.353 -0.741 10.879 1.00 0.19 H new ATOM 0 H2'' DG A 3 7.706 -1.631 12.242 1.00 0.19 H new ATOM 0 H1' DG A 3 6.656 0.325 13.191 1.00 0.17 H new ATOM 0 H8 DG A 3 7.241 0.607 9.375 1.00 0.19 H new ATOM 0 H1 DG A 3 1.179 1.204 11.301 1.00 0.21 H new ATOM 0 H21 DG A 3 2.479 0.949 14.510 1.00 0.24 H new ATOM 0 H22 DG A 3 1.058 1.160 13.481 1.00 0.24 H new ATOM 94 P DC A 4 9.198 -2.045 14.779 1.00 0.16 P ATOM 95 OP1 DC A 4 9.985 -2.012 16.032 1.00 0.24 O ATOM 96 OP2 DC A 4 9.554 -3.009 13.713 1.00 0.23 O ATOM 97 O5' DC A 4 7.651 -2.263 15.156 1.00 0.20 O ATOM 98 C5' DC A 4 7.072 -1.630 16.303 1.00 0.18 C ATOM 99 C4' DC A 4 5.558 -1.771 16.322 1.00 0.18 C ATOM 100 O4' DC A 4 4.937 -1.136 15.190 1.00 0.22 O ATOM 101 C3' DC A 4 5.097 -3.221 16.295 1.00 0.19 C ATOM 102 O3' DC A 4 5.278 -3.810 17.588 1.00 0.19 O ATOM 103 C2' DC A 4 3.635 -2.943 15.976 1.00 0.20 C ATOM 104 C1' DC A 4 3.728 -1.857 14.891 1.00 0.22 C ATOM 105 N1 DC A 4 3.600 -2.268 13.460 1.00 0.21 N ATOM 106 C2 DC A 4 2.314 -2.321 12.924 1.00 0.23 C ATOM 107 O2 DC A 4 1.318 -2.211 13.633 1.00 0.29 O ATOM 108 N3 DC A 4 2.171 -2.516 11.588 1.00 0.25 N ATOM 109 C4 DC A 4 3.237 -2.664 10.793 1.00 0.25 C ATOM 110 N4 DC A 4 3.070 -2.750 9.474 1.00 0.35 N ATOM 111 C5 DC A 4 4.561 -2.668 11.326 1.00 0.23 C ATOM 112 C6 DC A 4 4.696 -2.463 12.656 1.00 0.24 C ATOM 0 H5' DC A 4 7.339 -0.573 16.308 1.00 0.18 H new ATOM 0 H5'' DC A 4 7.489 -2.068 17.209 1.00 0.18 H new ATOM 0 H4' DC A 4 5.260 -1.293 17.255 1.00 0.18 H new ATOM 0 H3' DC A 4 5.603 -3.910 15.619 1.00 0.19 H new ATOM 0 H2' DC A 4 3.123 -3.834 15.614 1.00 0.20 H new ATOM 0 H2'' DC A 4 3.088 -2.595 16.852 1.00 0.20 H new ATOM 0 H1' DC A 4 2.833 -1.238 14.948 1.00 0.22 H new ATOM 0 H41 DC A 4 3.879 -2.863 8.864 1.00 0.35 H new ATOM 0 H42 DC A 4 2.133 -2.703 9.075 1.00 0.35 H new ATOM 0 H5 DC A 4 5.421 -2.828 10.692 1.00 0.23 H new ATOM 0 H6 DC A 4 5.683 -2.452 13.094 1.00 0.24 H new ATOM 124 P DG A 5 4.975 -5.360 17.895 1.00 0.16 P ATOM 125 OP1 DG A 5 5.289 -5.623 19.317 1.00 0.21 O ATOM 126 OP2 DG A 5 5.600 -6.182 16.834 1.00 0.21 O ATOM 127 O5' DG A 5 3.381 -5.427 17.709 1.00 0.19 O ATOM 128 C5' DG A 5 2.493 -4.569 18.436 1.00 0.19 C ATOM 129 C4' DG A 5 1.046 -4.850 18.071 1.00 0.19 C ATOM 130 O4' DG A 5 0.731 -4.556 16.699 1.00 0.19 O ATOM 131 C3' DG A 5 0.676 -6.310 18.296 1.00 0.19 C ATOM 132 O3' DG A 5 -0.668 -6.429 18.774 1.00 0.26 O ATOM 133 C2' DG A 5 0.926 -6.885 16.894 1.00 0.22 C ATOM 134 C1' DG A 5 0.354 -5.778 16.041 1.00 0.22 C ATOM 135 N9 DG A 5 0.889 -5.748 14.666 1.00 0.22 N ATOM 136 C8 DG A 5 2.180 -5.808 14.225 1.00 0.20 C ATOM 137 N7 DG A 5 2.360 -5.632 12.952 1.00 0.23 N ATOM 138 C5 DG A 5 1.059 -5.425 12.497 1.00 0.20 C ATOM 139 C6 DG A 5 0.589 -5.188 11.183 1.00 0.22 C ATOM 140 O6 DG A 5 1.238 -5.041 10.154 1.00 0.28 O ATOM 141 N1 DG A 5 -0.792 -5.119 11.131 1.00 0.24 N ATOM 142 C2 DG A 5 -1.633 -5.232 12.224 1.00 0.25 C ATOM 143 N2 DG A 5 -2.940 -5.121 11.996 1.00 0.29 N ATOM 144 N3 DG A 5 -1.193 -5.436 13.467 1.00 0.27 N ATOM 145 C4 DG A 5 0.156 -5.532 13.527 1.00 0.22 C ATOM 0 H5' DG A 5 2.731 -3.527 18.221 1.00 0.19 H new ATOM 0 H5'' DG A 5 2.637 -4.714 19.507 1.00 0.19 H new ATOM 0 H4' DG A 5 0.477 -4.191 18.727 1.00 0.19 H new ATOM 0 H3' DG A 5 1.240 -6.840 19.064 1.00 0.19 H new ATOM 0 H2' DG A 5 1.985 -7.056 16.698 1.00 0.22 H new ATOM 0 H2'' DG A 5 0.416 -7.835 16.738 1.00 0.22 H new ATOM 0 H1' DG A 5 -0.722 -5.925 15.944 1.00 0.22 H new ATOM 0 H8 DG A 5 3.005 -5.992 14.898 1.00 0.20 H new ATOM 0 H1 DG A 5 -1.223 -4.974 10.218 1.00 0.24 H new ATOM 0 H21 DG A 5 -3.601 -5.197 12.769 1.00 0.29 H new ATOM 0 H22 DG A 5 -3.280 -4.960 11.048 1.00 0.29 H new ATOM 157 P DA A 6 -1.156 -7.773 19.531 1.00 0.31 P ATOM 158 OP1 DA A 6 -2.119 -7.427 20.598 1.00 0.51 O ATOM 159 OP2 DA A 6 0.030 -8.599 19.855 1.00 0.40 O ATOM 160 O5' DA A 6 -1.951 -8.492 18.347 1.00 0.33 O ATOM 161 C5' DA A 6 -3.146 -7.981 17.743 1.00 0.27 C ATOM 162 C4' DA A 6 -3.327 -8.656 16.393 1.00 0.21 C ATOM 163 O4' DA A 6 -2.460 -8.206 15.337 1.00 0.26 O ATOM 164 C3' DA A 6 -3.222 -10.156 16.449 1.00 0.20 C ATOM 165 O3' DA A 6 -4.339 -10.687 15.761 1.00 0.23 O ATOM 166 C2' DA A 6 -1.887 -10.390 15.793 1.00 0.20 C ATOM 167 C1' DA A 6 -1.998 -9.388 14.677 1.00 0.20 C ATOM 168 N9 DA A 6 -0.756 -9.153 13.925 1.00 0.22 N ATOM 169 C8 DA A 6 0.547 -9.312 14.286 1.00 0.25 C ATOM 170 N7 DA A 6 1.430 -9.064 13.363 1.00 0.30 N ATOM 171 C5 DA A 6 0.626 -8.738 12.270 1.00 0.26 C ATOM 172 C6 DA A 6 0.912 -8.398 10.940 1.00 0.27 C ATOM 173 N6 DA A 6 2.129 -8.464 10.398 1.00 0.39 N ATOM 174 N1 DA A 6 -0.128 -8.069 10.162 1.00 0.26 N ATOM 175 C2 DA A 6 -1.367 -8.124 10.629 1.00 0.25 C ATOM 176 N3 DA A 6 -1.759 -8.460 11.844 1.00 0.24 N ATOM 177 C4 DA A 6 -0.697 -8.742 12.625 1.00 0.23 C ATOM 0 H5' DA A 6 -3.077 -6.900 17.620 1.00 0.27 H new ATOM 0 H5'' DA A 6 -4.007 -8.175 18.383 1.00 0.27 H new ATOM 0 H4' DA A 6 -4.343 -8.348 16.148 1.00 0.21 H new ATOM 0 H3' DA A 6 -3.250 -10.632 17.429 1.00 0.20 H new ATOM 0 H2' DA A 6 -1.049 -10.188 16.459 1.00 0.20 H new ATOM 0 H2'' DA A 6 -1.768 -11.412 15.432 1.00 0.20 H new ATOM 0 HO3' DA A 6 -4.299 -11.666 15.778 1.00 0.23 H new ATOM 0 H1' DA A 6 -2.669 -9.748 13.897 1.00 0.20 H new ATOM 0 H8 DA A 6 0.831 -9.625 15.280 1.00 0.25 H new ATOM 0 H61 DA A 6 2.268 -8.201 9.422 1.00 0.39 H new ATOM 0 H62 DA A 6 2.921 -8.777 10.959 1.00 0.39 H new ATOM 0 H2 DA A 6 -2.150 -7.863 9.932 1.00 0.25 H new TER 190 DA A 6 ATOM 191 O5' DT B 7 -0.515 -10.635 1.975 1.00 0.36 O ATOM 192 C5' DT B 7 -1.841 -11.039 1.620 1.00 0.31 C ATOM 193 C4' DT B 7 -2.871 -10.671 2.693 1.00 0.24 C ATOM 194 O4' DT B 7 -2.516 -11.262 3.959 1.00 0.29 O ATOM 195 C3' DT B 7 -2.909 -9.158 2.953 1.00 0.18 C ATOM 196 O3' DT B 7 -3.733 -8.434 2.031 1.00 0.21 O ATOM 197 C2' DT B 7 -3.457 -9.124 4.378 1.00 0.24 C ATOM 198 C1' DT B 7 -2.679 -10.288 5.013 1.00 0.28 C ATOM 199 N1 DT B 7 -1.408 -9.833 5.636 1.00 0.30 N ATOM 200 C2 DT B 7 -1.494 -9.164 6.849 1.00 0.41 C ATOM 201 O2 DT B 7 -2.560 -8.872 7.392 1.00 0.55 O ATOM 202 N3 DT B 7 -0.292 -8.827 7.432 1.00 0.43 N ATOM 203 C4 DT B 7 0.966 -9.012 6.902 1.00 0.41 C ATOM 204 O4 DT B 7 1.951 -8.662 7.550 1.00 0.51 O ATOM 205 C5 DT B 7 0.963 -9.645 5.601 1.00 0.38 C ATOM 206 C7 DT B 7 2.280 -9.843 4.844 1.00 0.55 C ATOM 207 C6 DT B 7 -0.192 -10.066 5.043 1.00 0.30 C ATOM 0 H5' DT B 7 -1.858 -12.117 1.458 1.00 0.31 H new ATOM 0 H5'' DT B 7 -2.120 -10.570 0.676 1.00 0.31 H new ATOM 0 H4' DT B 7 -3.830 -11.031 2.320 1.00 0.24 H new ATOM 0 H3' DT B 7 -1.942 -8.671 2.825 1.00 0.18 H new ATOM 0 H2' DT B 7 -3.258 -8.174 4.875 1.00 0.24 H new ATOM 0 H2'' DT B 7 -4.535 -9.281 4.410 1.00 0.24 H new ATOM 0 HO5' DT B 7 0.107 -10.892 1.263 1.00 0.36 H new ATOM 0 H1' DT B 7 -3.213 -10.738 5.850 1.00 0.28 H new ATOM 0 H3 DT B 7 -0.339 -8.394 8.355 1.00 0.43 H new ATOM 0 H71 DT B 7 2.209 -10.732 4.217 1.00 0.55 H new ATOM 0 H72 DT B 7 2.474 -8.972 4.218 1.00 0.55 H new ATOM 0 H73 DT B 7 3.095 -9.966 5.557 1.00 0.55 H new ATOM 0 H6 DT B 7 -0.158 -10.600 4.105 1.00 0.30 H new ATOM 221 P DC B 8 -3.587 -6.835 1.839 1.00 0.25 P ATOM 222 OP1 DC B 8 -4.383 -6.438 0.656 1.00 0.30 O ATOM 223 OP2 DC B 8 -2.150 -6.484 1.909 1.00 0.29 O ATOM 224 O5' DC B 8 -4.307 -6.246 3.155 1.00 0.26 O ATOM 225 C5' DC B 8 -5.677 -6.532 3.469 1.00 0.26 C ATOM 226 C4' DC B 8 -5.966 -6.301 4.954 1.00 0.25 C ATOM 227 O4' DC B 8 -5.078 -7.066 5.790 1.00 0.21 O ATOM 228 C3' DC B 8 -5.755 -4.868 5.367 1.00 0.24 C ATOM 229 O3' DC B 8 -6.841 -4.016 4.986 1.00 0.29 O ATOM 230 C2' DC B 8 -5.629 -5.058 6.872 1.00 0.20 C ATOM 231 C1' DC B 8 -4.711 -6.257 6.927 1.00 0.19 C ATOM 232 N1 DC B 8 -3.279 -5.870 7.010 1.00 0.16 N ATOM 233 C2 DC B 8 -2.770 -5.426 8.228 1.00 0.22 C ATOM 234 O2 DC B 8 -3.491 -5.272 9.211 1.00 0.31 O ATOM 235 N3 DC B 8 -1.445 -5.140 8.309 1.00 0.29 N ATOM 236 C4 DC B 8 -0.643 -5.282 7.243 1.00 0.29 C ATOM 237 N4 DC B 8 0.663 -5.058 7.375 1.00 0.43 N ATOM 238 C5 DC B 8 -1.166 -5.705 5.980 1.00 0.27 C ATOM 239 C6 DC B 8 -2.477 -5.979 5.919 1.00 0.20 C ATOM 0 H5' DC B 8 -5.904 -7.566 3.208 1.00 0.26 H new ATOM 0 H5'' DC B 8 -6.330 -5.901 2.867 1.00 0.26 H new ATOM 0 H4' DC B 8 -7.007 -6.597 5.081 1.00 0.25 H new ATOM 0 H3' DC B 8 -4.907 -4.367 4.901 1.00 0.24 H new ATOM 0 H2' DC B 8 -5.200 -4.185 7.365 1.00 0.20 H new ATOM 0 H2'' DC B 8 -6.591 -5.251 7.347 1.00 0.20 H new ATOM 0 H1' DC B 8 -4.832 -6.842 7.839 1.00 0.19 H new ATOM 0 H41 DC B 8 1.282 -5.163 6.571 1.00 0.43 H new ATOM 0 H42 DC B 8 1.044 -4.781 8.280 1.00 0.43 H new ATOM 0 H5 DC B 8 -0.531 -5.800 5.112 1.00 0.27 H new ATOM 0 H6 DC B 8 -2.906 -6.294 4.979 1.00 0.20 H new ATOM 251 P DG B 9 -6.724 -2.406 4.972 1.00 0.30 P ATOM 252 OP1 DG B 9 -7.895 -1.863 4.249 1.00 0.36 O ATOM 253 OP2 DG B 9 -5.356 -2.039 4.540 1.00 0.37 O ATOM 254 O5' DG B 9 -6.871 -2.024 6.528 1.00 0.28 O ATOM 255 C5' DG B 9 -7.912 -2.549 7.358 1.00 0.21 C ATOM 256 C4' DG B 9 -7.670 -2.199 8.827 1.00 0.17 C ATOM 257 O4' DG B 9 -6.362 -2.646 9.239 1.00 0.21 O ATOM 258 C3' DG B 9 -7.714 -0.693 9.102 1.00 0.13 C ATOM 259 O3' DG B 9 -8.139 -0.426 10.445 1.00 0.15 O ATOM 260 C2' DG B 9 -6.274 -0.341 8.854 1.00 0.14 C ATOM 261 C1' DG B 9 -5.558 -1.493 9.543 1.00 0.16 C ATOM 262 N9 DG B 9 -4.176 -1.675 9.030 1.00 0.18 N ATOM 263 C8 DG B 9 -3.738 -1.753 7.736 1.00 0.19 C ATOM 264 N7 DG B 9 -2.468 -1.943 7.569 1.00 0.25 N ATOM 265 C5 DG B 9 -1.996 -1.969 8.877 1.00 0.26 C ATOM 266 C6 DG B 9 -0.669 -2.125 9.348 1.00 0.28 C ATOM 267 O6 DG B 9 0.360 -2.278 8.699 1.00 0.30 O ATOM 268 N1 DG B 9 -0.604 -2.111 10.727 1.00 0.24 N ATOM 269 C2 DG B 9 -1.690 -1.970 11.565 1.00 0.22 C ATOM 270 N2 DG B 9 -1.429 -2.008 12.869 1.00 0.26 N ATOM 271 N3 DG B 9 -2.949 -1.827 11.132 1.00 0.25 N ATOM 272 C4 DG B 9 -3.027 -1.832 9.779 1.00 0.24 C ATOM 0 H5' DG B 9 -7.963 -3.632 7.242 1.00 0.21 H new ATOM 0 H5'' DG B 9 -8.874 -2.148 7.039 1.00 0.21 H new ATOM 0 H4' DG B 9 -8.470 -2.693 9.378 1.00 0.17 H new ATOM 0 H3' DG B 9 -8.418 -0.119 8.499 1.00 0.13 H new ATOM 0 H2' DG B 9 -6.041 -0.291 7.790 1.00 0.14 H new ATOM 0 H2'' DG B 9 -6.007 0.624 9.285 1.00 0.14 H new ATOM 0 H1' DG B 9 -5.453 -1.316 10.613 1.00 0.16 H new ATOM 0 H8 DG B 9 -4.415 -1.661 6.899 1.00 0.19 H new ATOM 0 H1 DG B 9 0.315 -2.212 11.158 1.00 0.24 H new ATOM 0 H21 DG B 9 -2.187 -1.910 13.544 1.00 0.26 H new ATOM 0 H22 DG B 9 -0.470 -2.135 13.194 1.00 0.26 H new ATOM 284 P DC B 10 -8.410 1.073 10.979 1.00 0.19 P ATOM 285 OP1 DC B 10 -9.643 1.059 11.798 1.00 0.31 O ATOM 286 OP2 DC B 10 -8.291 2.020 9.846 1.00 0.26 O ATOM 287 O5' DC B 10 -7.154 1.301 11.956 1.00 0.19 O ATOM 288 C5' DC B 10 -7.101 0.687 13.248 1.00 0.17 C ATOM 289 C4' DC B 10 -5.728 0.833 13.887 1.00 0.17 C ATOM 290 O4' DC B 10 -4.700 0.180 13.121 1.00 0.18 O ATOM 291 C3' DC B 10 -5.290 2.282 14.030 1.00 0.15 C ATOM 292 O3' DC B 10 -5.984 2.891 15.125 1.00 0.17 O ATOM 293 C2' DC B 10 -3.827 2.002 14.345 1.00 0.18 C ATOM 294 C1' DC B 10 -3.471 0.899 13.335 1.00 0.19 C ATOM 295 N1 DC B 10 -2.763 1.287 12.077 1.00 0.20 N ATOM 296 C2 DC B 10 -1.371 1.335 12.117 1.00 0.25 C ATOM 297 O2 DC B 10 -0.757 1.238 13.175 1.00 0.31 O ATOM 298 N3 DC B 10 -0.690 1.509 10.954 1.00 0.26 N ATOM 299 C4 DC B 10 -1.334 1.644 9.790 1.00 0.26 C ATOM 300 N4 DC B 10 -0.639 1.709 8.654 1.00 0.38 N ATOM 301 C5 DC B 10 -2.760 1.652 9.731 1.00 0.23 C ATOM 302 C6 DC B 10 -3.432 1.468 10.890 1.00 0.21 C ATOM 0 H5' DC B 10 -7.350 -0.370 13.158 1.00 0.17 H new ATOM 0 H5'' DC B 10 -7.853 1.137 13.896 1.00 0.17 H new ATOM 0 H4' DC B 10 -5.842 0.372 14.868 1.00 0.17 H new ATOM 0 H3' DC B 10 -5.469 2.959 13.195 1.00 0.15 H new ATOM 0 H2' DC B 10 -3.207 2.889 14.212 1.00 0.18 H new ATOM 0 H2'' DC B 10 -3.691 1.669 15.374 1.00 0.18 H new ATOM 0 H1' DC B 10 -2.682 0.282 13.765 1.00 0.19 H new ATOM 0 H41 DC B 10 -1.126 1.812 7.764 1.00 0.38 H new ATOM 0 H42 DC B 10 0.379 1.656 8.675 1.00 0.38 H new ATOM 0 H5 DC B 10 -3.282 1.799 8.797 1.00 0.23 H new ATOM 0 H6 DC B 10 -4.512 1.463 10.883 1.00 0.21 H new ATOM 314 P DG B 11 -5.826 4.447 15.506 1.00 0.17 P ATOM 315 OP1 DG B 11 -6.698 4.732 16.668 1.00 0.27 O ATOM 316 OP2 DG B 11 -5.955 5.251 14.270 1.00 0.22 O ATOM 317 O5' DG B 11 -4.296 4.513 15.993 1.00 0.21 O ATOM 318 C5' DG B 11 -3.791 3.667 17.033 1.00 0.17 C ATOM 319 C4' DG B 11 -2.321 3.943 17.296 1.00 0.17 C ATOM 320 O4' DG B 11 -1.473 3.633 16.176 1.00 0.23 O ATOM 321 C3' DG B 11 -2.075 5.414 17.629 1.00 0.20 C ATOM 322 O3' DG B 11 -1.044 5.541 18.613 1.00 0.27 O ATOM 323 C2' DG B 11 -1.720 5.962 16.238 1.00 0.23 C ATOM 324 C1' DG B 11 -0.853 4.844 15.713 1.00 0.25 C ATOM 325 N9 DG B 11 -0.774 4.792 14.239 1.00 0.23 N ATOM 326 C8 DG B 11 -1.769 4.842 13.306 1.00 0.24 C ATOM 327 N7 DG B 11 -1.410 4.645 12.074 1.00 0.23 N ATOM 328 C5 DG B 11 -0.037 4.435 12.197 1.00 0.22 C ATOM 329 C6 DG B 11 0.930 4.178 11.197 1.00 0.21 C ATOM 330 O6 DG B 11 0.766 4.014 9.993 1.00 0.26 O ATOM 331 N1 DG B 11 2.208 4.112 11.724 1.00 0.22 N ATOM 332 C2 DG B 11 2.526 4.242 13.061 1.00 0.24 C ATOM 333 N2 DG B 11 3.813 4.132 13.390 1.00 0.28 N ATOM 334 N3 DG B 11 1.615 4.465 14.010 1.00 0.27 N ATOM 335 C4 DG B 11 0.362 4.560 13.506 1.00 0.24 C ATOM 0 H5' DG B 11 -3.924 2.622 16.753 1.00 0.17 H new ATOM 0 H5'' DG B 11 -4.364 3.827 17.947 1.00 0.17 H new ATOM 0 H4' DG B 11 -2.072 3.295 18.137 1.00 0.17 H new ATOM 0 H3' DG B 11 -2.903 5.956 18.085 1.00 0.20 H new ATOM 0 H2' DG B 11 -2.603 6.127 15.620 1.00 0.23 H new ATOM 0 H2'' DG B 11 -1.186 6.911 16.290 1.00 0.23 H new ATOM 0 H1' DG B 11 0.168 4.991 16.065 1.00 0.25 H new ATOM 0 H8 DG B 11 -2.797 5.034 13.577 1.00 0.24 H new ATOM 0 H1 DG B 11 2.977 3.955 11.072 1.00 0.22 H new ATOM 0 H21 DG B 11 4.100 4.220 14.365 1.00 0.28 H new ATOM 0 H22 DG B 11 4.511 3.959 12.667 1.00 0.28 H new ATOM 347 P DA B 12 -0.902 6.896 19.483 1.00 0.32 P ATOM 348 OP1 DA B 12 -0.465 6.568 20.857 1.00 0.46 O ATOM 349 OP2 DA B 12 -2.112 7.726 19.278 1.00 0.40 O ATOM 350 O5' DA B 12 0.312 7.598 18.720 1.00 0.33 O ATOM 351 C5' DA B 12 1.647 7.081 18.670 1.00 0.25 C ATOM 352 C4' DA B 12 2.371 7.735 17.504 1.00 0.24 C ATOM 353 O4' DA B 12 2.014 7.266 16.191 1.00 0.28 O ATOM 354 C3' DA B 12 2.260 9.235 17.488 1.00 0.24 C ATOM 355 O3' DA B 12 3.563 9.757 17.313 1.00 0.30 O ATOM 356 C2' DA B 12 1.314 9.455 16.338 1.00 0.26 C ATOM 357 C1' DA B 12 1.870 8.438 15.381 1.00 0.25 C ATOM 358 N9 DA B 12 1.046 8.188 14.188 1.00 0.27 N ATOM 359 C8 DA B 12 -0.290 8.351 13.980 1.00 0.31 C ATOM 360 N7 DA B 12 -0.716 8.086 12.777 1.00 0.36 N ATOM 361 C5 DA B 12 0.466 7.744 12.118 1.00 0.30 C ATOM 362 C6 DA B 12 0.752 7.384 10.792 1.00 0.32 C ATOM 363 N6 DA B 12 -0.134 7.439 9.797 1.00 0.40 N ATOM 364 N1 DA B 12 2.019 7.046 10.516 1.00 0.29 N ATOM 365 C2 DA B 12 2.954 7.110 11.450 1.00 0.28 C ATOM 366 N3 DA B 12 2.813 7.463 12.715 1.00 0.28 N ATOM 367 C4 DA B 12 1.526 7.757 12.985 1.00 0.27 C ATOM 0 H5' DA B 12 1.630 5.998 18.547 1.00 0.25 H new ATOM 0 H5'' DA B 12 2.169 7.287 19.604 1.00 0.25 H new ATOM 0 H4' DA B 12 3.397 7.425 17.704 1.00 0.24 H new ATOM 0 H3' DA B 12 1.885 9.728 18.385 1.00 0.24 H new ATOM 0 H2' DA B 12 0.275 9.260 16.604 1.00 0.26 H new ATOM 0 H2'' DA B 12 1.357 10.471 15.945 1.00 0.26 H new ATOM 0 HO3' DA B 12 3.524 10.736 17.297 1.00 0.30 H new ATOM 0 H1' DA B 12 2.803 8.789 14.940 1.00 0.25 H new ATOM 0 H8 DA B 12 -0.956 8.680 14.764 1.00 0.31 H new ATOM 0 H61 DA B 12 0.140 7.162 8.854 1.00 0.40 H new ATOM 0 H62 DA B 12 -1.086 7.758 9.979 1.00 0.40 H new ATOM 0 H2 DA B 12 3.953 6.841 11.141 1.00 0.28 H new TER 380 DA B 12 HETATM 381 C1 DDA B 1 -12.126 -1.419 12.016 1.00 0.40 C HETATM 382 C2 DDA B 1 -11.764 -2.476 10.978 1.00 0.39 C HETATM 383 C3 DDA B 1 -11.245 -1.795 9.731 1.00 0.36 C HETATM 384 C4 DDA B 1 -12.238 -0.759 9.208 1.00 0.48 C HETATM 385 C5 DDA B 1 -12.674 0.189 10.336 1.00 0.45 C HETATM 386 C6 DDA B 1 -13.767 1.167 9.919 1.00 0.58 C HETATM 387 O5 DDA B 1 -13.124 -0.564 11.465 1.00 0.44 O HETATM 388 O1 DDA B 1 -12.561 -2.049 13.225 1.00 0.48 O HETATM 389 O3 DDA B 1 -10.966 -2.759 8.738 1.00 0.48 O HETATM 390 O4 DDA B 1 -11.603 -0.015 8.189 1.00 0.73 O HETATM 0 HO4 DDA B 1 -12.265 0.543 7.730 1.00 0.73 H new HETATM 0 HO3 DDA B 1 -11.027 -2.344 7.853 1.00 0.48 H new HETATM 0 H63 DDA B 1 -13.408 1.784 9.095 1.00 0.58 H new HETATM 0 H62 DDA B 1 -14.649 0.612 9.600 1.00 0.58 H new HETATM 0 H61 DDA B 1 -14.026 1.805 10.764 1.00 0.58 H new HETATM 0 H5 DDA B 1 -11.794 0.780 10.592 1.00 0.45 H new HETATM 0 H4 DDA B 1 -13.124 -1.264 8.823 1.00 0.48 H new HETATM 0 H3 DDA B 1 -10.325 -1.269 9.987 1.00 0.36 H new HETATM 0 H22 DDA B 1 -11.008 -3.152 11.379 1.00 0.39 H new HETATM 0 H21 DDA B 1 -12.638 -3.081 10.739 1.00 0.39 H new HETATM 0 H1 DDA B 1 -11.255 -0.814 12.268 1.00 0.40 H new HETATM 402 C1 DDA B 2 -9.464 -2.466 15.400 1.00 0.29 C HETATM 403 C2 DDA B 2 -10.324 -2.527 14.139 1.00 0.32 C HETATM 404 C3 DDA B 2 -11.706 -1.880 14.368 1.00 0.42 C HETATM 405 C4 DDA B 2 -12.387 -2.474 15.596 1.00 0.45 C HETATM 406 C5 DDA B 2 -11.416 -2.276 16.759 1.00 0.39 C HETATM 407 C6 DDA B 2 -12.027 -2.698 18.128 1.00 0.44 C HETATM 408 O5 DDA B 2 -10.214 -3.010 16.493 1.00 0.31 O HETATM 409 O1 DDA B 2 -8.228 -3.167 15.158 1.00 0.24 O HETATM 410 O4 DDA B 2 -13.601 -1.794 15.847 1.00 0.56 O HETATM 0 HO4 DDA B 2 -13.937 -1.406 15.012 1.00 0.56 H new HETATM 0 H63 DDA B 2 -12.916 -2.100 18.329 1.00 0.44 H new HETATM 0 H62 DDA B 2 -12.299 -3.753 18.095 1.00 0.44 H new HETATM 0 H61 DDA B 2 -11.294 -2.536 18.919 1.00 0.44 H new HETATM 0 H5 DDA B 2 -11.195 -1.211 16.838 1.00 0.39 H new HETATM 0 H4 DDA B 2 -12.623 -3.529 15.455 1.00 0.45 H new HETATM 0 H22 DDA B 2 -9.812 -2.017 13.323 1.00 0.32 H new HETATM 0 H21 DDA B 2 -10.453 -3.566 13.835 1.00 0.32 H new HETATM 0 H1 DDA B 2 -9.205 -1.440 15.661 1.00 0.29 H new HETATM 421 C1 DDA B 4 -0.593 2.330 20.775 1.00 0.22 C HETATM 422 C2 DDA B 4 0.344 3.403 20.250 1.00 0.26 C HETATM 423 C3 DDA B 4 1.758 3.251 20.740 1.00 0.23 C HETATM 424 C4 DDA B 4 1.817 3.002 22.260 1.00 0.29 C HETATM 425 C5 DDA B 4 0.843 1.893 22.693 1.00 0.27 C HETATM 426 C6 DDA B 4 0.708 1.641 24.319 1.00 0.37 C HETATM 427 O5 DDA B 4 -0.469 2.210 22.200 1.00 0.22 O HETATM 428 O1 DDA B 4 -1.943 2.651 20.388 1.00 0.22 O HETATM 429 O4 DDA B 4 3.131 2.666 22.651 1.00 0.44 O HETATM 0 HO4 DDA B 4 3.763 3.304 22.258 1.00 0.44 H new HETATM 0 H63 DDA B 4 1.681 1.365 24.726 1.00 0.37 H new HETATM 0 H62 DDA B 4 0.359 2.554 24.801 1.00 0.37 H new HETATM 0 H61 DDA B 4 -0.005 0.838 24.505 1.00 0.37 H new HETATM 0 H5 DDA B 4 1.262 0.978 22.275 1.00 0.27 H new HETATM 0 H4 DDA B 4 1.517 3.925 22.755 1.00 0.29 H new HETATM 0 H22 DDA B 4 0.340 3.377 19.160 1.00 0.26 H new HETATM 0 H21 DDA B 4 -0.033 4.382 20.547 1.00 0.26 H new HETATM 0 H1 DDA B 4 -0.327 1.365 20.344 1.00 0.22 H new HETATM 440 C1 DDL B 5 3.846 4.344 20.010 1.00 0.18 C HETATM 441 C2 DDL B 5 4.167 5.545 19.103 1.00 0.20 C HETATM 442 C3 DDL B 5 5.690 5.502 18.749 1.00 0.21 C HETATM 443 C4 DDL B 5 6.479 5.527 20.058 1.00 0.21 C HETATM 444 C5 DDL B 5 6.088 4.370 20.959 1.00 0.20 C HETATM 445 C6 DDL B 5 6.799 4.388 22.335 1.00 0.31 C HETATM 446 O1 DDL B 5 2.465 4.444 20.372 1.00 0.24 O HETATM 447 O5 DDL B 5 4.674 4.383 21.179 1.00 0.18 O HETATM 448 O4 DDL B 5 6.305 6.758 20.732 1.00 0.25 O HETATM 0 HO4 DDL B 5 6.051 7.451 20.087 1.00 0.25 H new HETATM 0 H63 DDL B 5 7.878 4.335 22.188 1.00 0.31 H new HETATM 0 H62 DDL B 5 6.549 5.309 22.862 1.00 0.31 H new HETATM 0 H61 DDL B 5 6.471 3.532 22.925 1.00 0.31 H new HETATM 0 H5 DDL B 5 6.402 3.464 20.440 1.00 0.20 H new HETATM 0 H4 DDL B 5 7.534 5.419 19.806 1.00 0.21 H new HETATM 0 H22 DDL B 5 3.565 5.506 18.195 1.00 0.20 H new HETATM 0 H21 DDL B 5 3.921 6.479 19.609 1.00 0.20 H new HETATM 0 H1 DDL B 5 4.038 3.402 19.496 1.00 0.18 H new HETATM 459 C1 DDA A 7 12.155 0.440 17.247 1.00 0.41 C HETATM 460 C2 DDA A 7 12.257 1.479 16.136 1.00 0.39 C HETATM 461 C3 DDA A 7 12.297 0.778 14.796 1.00 0.31 C HETATM 462 C4 DDA A 7 13.414 -0.262 14.746 1.00 0.41 C HETATM 463 C5 DDA A 7 13.342 -1.191 15.968 1.00 0.39 C HETATM 464 C6 DDA A 7 14.506 -2.173 16.054 1.00 0.48 C HETATM 465 O5 DDA A 7 13.289 -0.420 17.171 1.00 0.44 O HETATM 466 O1 DDA A 7 12.053 1.090 18.517 1.00 0.52 O HETATM 467 O3 DDA A 7 12.457 1.726 13.761 1.00 0.42 O HETATM 468 O4 DDA A 7 13.255 -1.026 13.568 1.00 0.65 O HETATM 0 HO4 DDA A 7 14.046 -1.588 13.433 1.00 0.65 H new HETATM 0 HO3 DDA A 7 12.877 1.297 12.987 1.00 0.42 H new HETATM 0 H63 DDA A 7 14.517 -2.803 15.165 1.00 0.48 H new HETATM 0 H62 DDA A 7 15.444 -1.621 16.119 1.00 0.48 H new HETATM 0 H61 DDA A 7 14.391 -2.797 16.940 1.00 0.48 H new HETATM 0 H5 DDA A 7 12.432 -1.779 15.847 1.00 0.39 H new HETATM 0 H4 DDA A 7 14.381 0.242 14.752 1.00 0.41 H new HETATM 0 H3 DDA A 7 11.351 0.254 14.657 1.00 0.31 H new HETATM 0 H22 DDA A 7 11.405 2.158 16.179 1.00 0.39 H new HETATM 0 H21 DDA A 7 13.154 2.084 16.270 1.00 0.39 H new HETATM 0 H1 DDA A 7 11.256 -0.165 17.127 1.00 0.41 H new HETATM 480 C1 DDA A 8 8.335 1.529 19.211 1.00 0.36 C HETATM 481 C2 DDA A 8 9.640 1.575 18.418 1.00 0.39 C HETATM 482 C3 DDA A 8 10.802 0.936 19.207 1.00 0.45 C HETATM 483 C4 DDA A 8 10.917 1.551 20.598 1.00 0.48 C HETATM 484 C5 DDA A 8 9.552 1.367 21.260 1.00 0.44 C HETATM 485 C6 DDA A 8 9.543 1.813 22.752 1.00 0.49 C HETATM 486 O5 DDA A 8 8.568 2.091 20.509 1.00 0.38 O HETATM 487 O1 DDA A 8 7.313 2.224 18.471 1.00 0.33 O HETATM 488 O4 DDA A 8 11.916 0.879 21.338 1.00 0.60 O HETATM 0 HO4 DDA A 8 12.639 0.603 20.736 1.00 0.60 H new HETATM 0 H63 DDA A 8 10.268 1.223 23.313 1.00 0.49 H new HETATM 0 H62 DDA A 8 9.806 2.869 22.818 1.00 0.49 H new HETATM 0 H61 DDA A 8 8.549 1.660 23.171 1.00 0.49 H new HETATM 0 H5 DDA A 8 9.317 0.303 21.259 1.00 0.44 H new HETATM 0 H4 DDA A 8 11.193 2.604 20.551 1.00 0.48 H new HETATM 0 H22 DDA A 8 9.510 1.052 17.471 1.00 0.39 H new HETATM 0 H21 DDA A 8 9.886 2.610 18.179 1.00 0.39 H new HETATM 0 H1 DDA A 8 7.987 0.506 19.355 1.00 0.36 H new HETATM 499 C1 DDA A 10 -1.980 -3.211 20.512 1.00 0.23 C HETATM 500 C2 DDA A 10 -2.620 -4.295 19.665 1.00 0.31 C HETATM 501 C3 DDA A 10 -4.110 -4.140 19.525 1.00 0.27 C HETATM 502 C4 DDA A 10 -4.790 -3.869 20.880 1.00 0.28 C HETATM 503 C5 DDA A 10 -4.078 -2.749 21.660 1.00 0.27 C HETATM 504 C6 DDA A 10 -4.626 -2.472 23.192 1.00 0.35 C HETATM 505 O5 DDA A 10 -2.681 -3.071 21.758 1.00 0.24 O HETATM 506 O1 DDA A 10 -0.592 -3.534 20.724 1.00 0.27 O HETATM 507 O4 DDA A 10 -6.147 -3.531 20.688 1.00 0.39 O HETATM 0 HO4 DDA A 10 -6.562 -4.177 20.079 1.00 0.39 H new HETATM 0 H63 DDA A 10 -5.679 -2.193 23.157 1.00 0.35 H new HETATM 0 H62 DDA A 10 -4.510 -3.377 23.789 1.00 0.35 H new HETATM 0 H61 DDA A 10 -4.051 -1.663 23.643 1.00 0.35 H new HETATM 0 H5 DDA A 10 -4.284 -1.841 21.093 1.00 0.27 H new HETATM 0 H4 DDA A 10 -4.724 -4.784 21.469 1.00 0.28 H new HETATM 0 H22 DDA A 10 -2.166 -4.287 18.674 1.00 0.31 H new HETATM 0 H21 DDA A 10 -2.403 -5.267 20.107 1.00 0.31 H new HETATM 0 H1 DDA A 10 -2.041 -2.254 19.993 1.00 0.23 H new HETATM 518 C1 DDL A 11 -5.713 -5.252 18.014 1.00 0.23 C HETATM 519 C2 DDL A 11 -5.634 -6.468 17.074 1.00 0.22 C HETATM 520 C3 DDL A 11 -6.874 -6.436 16.123 1.00 0.15 C HETATM 521 C4 DDL A 11 -8.133 -6.442 16.988 1.00 0.14 C HETATM 522 C5 DDL A 11 -8.147 -5.271 17.953 1.00 0.18 C HETATM 523 C6 DDL A 11 -9.363 -5.271 18.912 1.00 0.27 C HETATM 524 O1 DDL A 11 -4.605 -5.342 18.916 1.00 0.31 O HETATM 525 O5 DDL A 11 -6.950 -5.275 18.737 1.00 0.21 O HETATM 526 O4 DDL A 11 -8.259 -7.662 17.693 1.00 0.19 O HETATM 0 HO4 DDL A 11 -7.818 -8.378 17.189 1.00 0.19 H new HETATM 0 H63 DDL A 11 -10.284 -5.224 18.331 1.00 0.27 H new HETATM 0 H62 DDL A 11 -9.356 -6.183 19.509 1.00 0.27 H new HETATM 0 H61 DDL A 11 -9.306 -4.405 19.572 1.00 0.27 H new HETATM 0 H5 DDL A 11 -8.217 -4.374 17.338 1.00 0.18 H new HETATM 0 H4 DDL A 11 -8.988 -6.340 16.319 1.00 0.14 H new HETATM 0 H22 DDL A 11 -4.711 -6.441 16.495 1.00 0.22 H new HETATM 0 H21 DDL A 11 -5.622 -7.393 17.650 1.00 0.22 H new HETATM 0 H1 DDL A 11 -5.672 -4.319 17.452 1.00 0.23 H new HETATM 537 MG MG A 13 -0.479 -0.468 16.906 1.00 0.30 MG HETATM 538 C1 CRH B 3 -2.764 0.830 19.053 1.00 0.20 C HETATM 539 C2 CRH B 3 -2.892 1.584 20.377 1.00 0.19 C HETATM 540 C3 CRH B 3 -4.355 1.969 20.624 1.00 0.15 C HETATM 541 C4 CRH B 3 -5.275 0.771 20.446 1.00 0.17 C HETATM 542 C5 CRH B 3 -7.124 -1.918 16.884 1.00 0.23 C HETATM 543 C6 CRH B 3 -7.071 -2.614 15.700 1.00 0.24 C HETATM 544 C7 CRH B 3 -5.879 -2.643 15.002 1.00 0.24 C HETATM 545 C8 CRH B 3 -4.774 -1.969 15.506 1.00 0.24 C HETATM 546 C9 CRH B 3 -3.720 -0.554 17.240 1.00 0.21 C HETATM 547 C10 CRH B 3 -6.131 -0.569 18.562 1.00 0.19 C HETATM 548 C11 CRH B 3 -6.022 -1.252 17.383 1.00 0.21 C HETATM 549 C12 CRH B 3 -4.817 -1.256 16.706 1.00 0.21 C HETATM 550 C13 CRH B 3 -3.830 0.142 18.458 1.00 0.19 C HETATM 551 C14 CRH B 3 -5.067 0.117 19.093 1.00 0.19 C HETATM 552 C15 CRH B 3 -5.864 -3.285 13.617 1.00 0.27 C HETATM 553 O1 CRH B 3 -1.672 0.834 18.498 1.00 0.24 O HETATM 554 O8 CRH B 3 -3.608 -2.014 14.768 1.00 0.26 O HETATM 555 O9 CRH B 3 -2.562 -0.511 16.455 1.00 0.25 O HETATM 556 C1' CRH B 3 -4.458 2.653 21.997 1.00 0.20 C HETATM 557 C2' CRH B 3 -5.885 3.099 22.337 1.00 0.26 C HETATM 558 C3' CRH B 3 -6.522 4.370 21.776 1.00 0.34 C HETATM 559 C4' CRH B 3 -5.921 5.007 20.495 1.00 0.45 C HETATM 560 C1M CRH B 3 -3.488 2.579 24.241 1.00 0.42 C HETATM 561 C4M CRH B 3 -6.693 6.279 20.073 1.00 0.61 C HETATM 562 O1' CRH B 3 -3.942 1.881 23.085 1.00 0.28 O HETATM 563 O2' CRH B 3 -6.561 2.408 23.103 1.00 0.49 O HETATM 564 O3' CRH B 3 -6.517 5.378 22.780 1.00 0.59 O HETATM 565 O4' CRH B 3 -4.598 5.442 20.787 1.00 0.61 O HETATM 0 H4'3 CRH B 3 -7.734 6.024 19.873 1.00 0.61 H new HETATM 0 H4'2 CRH B 3 -6.648 7.015 20.876 1.00 0.61 H new HETATM 0 H4'1 CRH B 3 -6.242 6.696 19.172 1.00 0.61 H new HETATM 0 H153 CRH B 3 -6.166 -4.329 13.697 1.00 0.27 H new HETATM 0 H152 CRH B 3 -6.557 -2.756 12.963 1.00 0.27 H new HETATM 0 H151 CRH B 3 -4.858 -3.229 13.201 1.00 0.27 H new HETATM 0 H1'3 CRH B 3 -2.679 3.255 23.964 1.00 0.42 H new HETATM 0 H1'2 CRH B 3 -4.311 3.153 24.666 1.00 0.42 H new HETATM 0 H1'1 CRH B 3 -3.126 1.863 24.979 1.00 0.42 H new HETATM 0 HO8 CRH B 3 -2.865 -1.676 15.310 1.00 0.26 H new HETATM 0 HO4 CRH B 3 -4.202 5.846 19.987 1.00 0.61 H new HETATM 0 HO3 CRH B 3 -5.716 5.934 22.681 1.00 0.59 H new HETATM 0 H5 CRH B 3 -8.059 -1.891 17.443 1.00 0.23 H new HETATM 0 H42 CRH B 3 -5.088 0.045 21.237 1.00 0.17 H new HETATM 0 H41 CRH B 3 -6.313 1.088 20.544 1.00 0.17 H new HETATM 0 H4' CRH B 3 -5.966 4.258 19.704 1.00 0.45 H new HETATM 0 H3' CRH B 3 -7.509 4.019 21.474 1.00 0.34 H new HETATM 0 H3 CRH B 3 -4.697 2.688 19.880 1.00 0.15 H new HETATM 0 H22 CRH B 3 -2.528 0.962 21.195 1.00 0.19 H new HETATM 0 H10 CRH B 3 -7.083 -0.569 19.092 1.00 0.19 H new HETATM 0 H1' CRH B 3 -3.822 3.531 21.884 1.00 0.20 H new HETATM 587 C1 MDA B 6 6.275 6.378 16.542 1.00 0.23 C HETATM 588 C2 MDA B 6 6.252 7.703 15.769 1.00 0.25 C HETATM 589 C3 MDA B 6 6.493 7.499 14.255 1.00 0.24 C HETATM 590 C4 MDA B 6 7.845 6.775 14.102 1.00 0.21 C HETATM 591 C5 MDA B 6 7.804 5.456 14.900 1.00 0.23 C HETATM 592 C6 MDA B 6 9.188 4.736 14.785 1.00 0.28 C HETATM 593 C3' MDA B 6 6.520 8.838 13.483 1.00 0.25 C HETATM 594 O1 MDA B 6 6.078 6.631 17.942 1.00 0.26 O HETATM 595 O5 MDA B 6 7.526 5.720 16.284 1.00 0.23 O HETATM 596 O3 MDA B 6 5.488 6.661 13.712 1.00 0.30 O HETATM 597 O4 MDA B 6 8.088 6.485 12.738 1.00 0.22 O HETATM 0 H3'3 MDA B 6 5.566 9.349 13.608 1.00 0.25 H new HETATM 0 H3'2 MDA B 6 7.322 9.466 13.872 1.00 0.25 H new HETATM 0 H3'1 MDA B 6 6.692 8.644 12.424 1.00 0.25 H new HETATM 0 HO4 MDA B 6 9.046 6.329 12.602 1.00 0.22 H new HETATM 0 HO3 MDA B 6 4.708 7.202 13.468 1.00 0.30 H new HETATM 0 H63 MDA B 6 9.400 4.521 13.738 1.00 0.28 H new HETATM 0 H62 MDA B 6 9.968 5.381 15.189 1.00 0.28 H new HETATM 0 H61 MDA B 6 9.161 3.803 15.349 1.00 0.28 H new HETATM 0 H5 MDA B 6 7.017 4.822 14.491 1.00 0.23 H new HETATM 0 H4 MDA B 6 8.641 7.417 14.479 1.00 0.21 H new HETATM 0 H22 MDA B 6 5.290 8.193 15.919 1.00 0.25 H new HETATM 0 H21 MDA B 6 7.015 8.369 16.170 1.00 0.25 H new HETATM 0 H1 MDA B 6 5.467 5.724 16.214 1.00 0.23 H new HETATM 611 C1 CRH A 9 0.714 -1.731 19.820 1.00 0.22 C HETATM 612 C2 CRH A 9 0.281 -2.464 21.092 1.00 0.22 C HETATM 613 C3 CRH A 9 1.510 -2.840 21.926 1.00 0.21 C HETATM 614 C4 CRH A 9 2.425 -1.642 22.125 1.00 0.22 C HETATM 615 C5 CRH A 9 5.589 0.998 19.604 1.00 0.26 C HETATM 616 C6 CRH A 9 6.032 1.676 18.494 1.00 0.28 C HETATM 617 C7 CRH A 9 5.236 1.689 17.365 1.00 0.28 C HETATM 618 C8 CRH A 9 4.020 1.020 17.377 1.00 0.26 C HETATM 619 C9 CRH A 9 2.338 -0.372 18.543 1.00 0.25 C HETATM 620 C10 CRH A 9 3.987 -0.329 20.743 1.00 0.23 C HETATM 621 C11 CRH A 9 4.377 0.337 19.613 1.00 0.24 C HETATM 622 C12 CRH A 9 3.560 0.326 18.500 1.00 0.24 C HETATM 623 C13 CRH A 9 1.932 -1.050 19.708 1.00 0.23 C HETATM 624 C14 CRH A 9 2.796 -1.010 20.797 1.00 0.22 C HETATM 625 C15 CRH A 9 5.796 2.310 16.089 1.00 0.31 C HETATM 626 O1 CRH A 9 -0.051 -1.747 18.863 1.00 0.25 O HETATM 627 O8 CRH A 9 3.262 1.050 16.224 1.00 0.29 O HETATM 628 O9 CRH A 9 1.608 -0.430 17.351 1.00 0.32 O HETATM 629 C1' CRH A 9 1.034 -3.503 23.229 1.00 0.25 C HETATM 630 C2' CRH A 9 2.191 -3.937 24.135 1.00 0.31 C HETATM 631 C3' CRH A 9 2.998 -5.217 23.906 1.00 0.36 C HETATM 632 C4' CRH A 9 2.979 -5.875 22.502 1.00 0.49 C HETATM 633 C1M CRH A 9 -0.777 -3.397 24.869 1.00 0.50 C HETATM 634 C4M CRH A 9 3.853 -7.150 22.457 1.00 0.66 C HETATM 635 O1' CRH A 9 0.118 -2.715 23.994 1.00 0.33 O HETATM 636 O2' CRH A 9 2.493 -3.234 25.100 1.00 0.47 O HETATM 637 O3' CRH A 9 2.575 -6.209 24.835 1.00 0.62 O HETATM 638 O4' CRH A 9 1.652 -6.310 22.228 1.00 0.66 O HETATM 0 H4'3 CRH A 9 4.884 -6.893 22.702 1.00 0.66 H new HETATM 0 H4'2 CRH A 9 3.478 -7.874 23.180 1.00 0.66 H new HETATM 0 H4'1 CRH A 9 3.814 -7.583 21.457 1.00 0.66 H new HETATM 0 H153 CRH A 9 6.040 3.357 16.270 1.00 0.31 H new HETATM 0 H152 CRH A 9 6.697 1.775 15.789 1.00 0.31 H new HETATM 0 H151 CRH A 9 5.052 2.243 15.295 1.00 0.31 H new HETATM 0 H1'3 CRH A 9 -1.402 -4.079 24.292 1.00 0.50 H new HETATM 0 H1'2 CRH A 9 -0.206 -3.963 25.605 1.00 0.50 H new HETATM 0 H1'1 CRH A 9 -1.409 -2.671 25.381 1.00 0.50 H new HETATM 0 HO8 CRH A 9 2.399 0.616 16.388 1.00 0.29 H new HETATM 0 HO4 CRH A 9 1.621 -6.728 21.342 1.00 0.66 H new HETATM 0 HO3 CRH A 9 1.981 -6.846 24.386 1.00 0.62 H new HETATM 0 H5 CRH A 9 6.210 0.982 20.500 1.00 0.26 H new HETATM 0 H42 CRH A 9 1.930 -0.904 22.757 1.00 0.22 H new HETATM 0 H41 CRH A 9 3.329 -1.954 22.648 1.00 0.22 H new HETATM 0 H4' CRH A 9 3.349 -5.139 21.789 1.00 0.49 H new HETATM 0 H3' CRH A 9 4.023 -4.868 24.032 1.00 0.36 H new HETATM 0 H3 CRH A 9 2.127 -3.569 21.401 1.00 0.21 H new HETATM 0 H22 CRH A 9 -0.386 -1.831 21.677 1.00 0.22 H new HETATM 0 H10 CRH A 9 4.636 -0.319 21.619 1.00 0.23 H new HETATM 0 H1' CRH A 9 0.499 -4.385 22.877 1.00 0.25 H new HETATM 660 C1 MDA A 12 -6.498 -7.347 13.883 1.00 0.17 C HETATM 661 C2 MDA A 12 -6.162 -8.684 13.212 1.00 0.18 C HETATM 662 C3 MDA A 12 -5.756 -8.504 11.730 1.00 0.19 C HETATM 663 C4 MDA A 12 -6.920 -7.786 11.021 1.00 0.23 C HETATM 664 C5 MDA A 12 -7.210 -6.454 11.743 1.00 0.20 C HETATM 665 C6 MDA A 12 -8.419 -5.741 11.056 1.00 0.26 C HETATM 666 C3' MDA A 12 -5.465 -9.855 11.034 1.00 0.25 C HETATM 667 O1 MDA A 12 -6.898 -7.578 15.244 1.00 0.20 O HETATM 668 O5 MDA A 12 -7.528 -6.698 13.122 1.00 0.19 O HETATM 669 O3 MDA A 12 -4.613 -7.671 11.637 1.00 0.25 O HETATM 670 O4 MDA A 12 -6.579 -7.519 9.673 1.00 0.29 O HETATM 0 H3'3 MDA A 12 -4.648 -10.361 11.549 1.00 0.25 H new HETATM 0 H3'2 MDA A 12 -6.357 -10.480 11.066 1.00 0.25 H new HETATM 0 H3'1 MDA A 12 -5.184 -9.677 9.996 1.00 0.25 H new HETATM 0 HO4 MDA A 12 -7.396 -7.367 9.153 1.00 0.29 H new HETATM 0 HO3 MDA A 12 -3.804 -8.213 11.746 1.00 0.25 H new HETATM 0 H63 MDA A 12 -8.179 -5.543 10.011 1.00 0.26 H new HETATM 0 H62 MDA A 12 -9.299 -6.382 11.111 1.00 0.26 H new HETATM 0 H61 MDA A 12 -8.624 -4.800 11.566 1.00 0.26 H new HETATM 0 H5 MDA A 12 -6.325 -5.821 11.685 1.00 0.20 H new HETATM 0 H4 MDA A 12 -7.802 -8.425 11.047 1.00 0.23 H new HETATM 0 H22 MDA A 12 -5.349 -9.167 13.754 1.00 0.18 H new HETATM 0 H21 MDA A 12 -7.025 -9.347 13.273 1.00 0.18 H new HETATM 0 H1 MDA A 12 -5.625 -6.694 13.906 1.00 0.17 H new