USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 530 hydrogens (300 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: A 13 CRH H6 : A 13 CRH C6 : A 12 DDA O1 :(H bumps) USER MOD NoAdj-H: A 13 CRH H21 : A 13 CRH C2 : A 14ADDA O1 :(H bumps) USER MOD NoAdj-H: B 17 CRH H6 : B 17 CRH C6 : B 16 DDA O1 :(H bumps) USER MOD NoAdj-H: B 17 CRH H21 : B 17 CRH C2 : B 18ADDA O1 :(H bumps) USER MOD NoAdj-H: B 23 CRH H6 : B 23 CRH C6 : B 22 DDA O1 :(H bumps) USER MOD NoAdj-H: B 23 CRH H21 : B 23 CRH C2 : B 24ADDA O1 :(H bumps) USER MOD NoAdj-H: A 27 CRH H6 : A 27 CRH C6 : A 26 DDA O1 :(H bumps) USER MOD NoAdj-H: A 27 CRH H21 : A 27 CRH C2 : A 28ADDA O1 :(H bumps) USER MOD Set 1.1: A 29CMDA O4 : rot 170:sc= -0.255 USER MOD Set 1.2: B 30CMDA O4 : rot 170:sc= -0.268 USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.815 USER MOD Single : A 5 DT C7 :methyl 150:sc= -3.69! (180deg=-3.69!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -1.7 (180deg=-2.36!) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : A 11 DDA O3 : rot -96:sc= 1.03 USER MOD Single : A 11 DDA O4 : rot 30:sc= 0.0185 USER MOD Single : A 12 DDA O4 : rot 27:sc= 0.0321 USER MOD Single : A 13 CRH O3' : rot 164:sc= 0.13 USER MOD Single : A 13 CRH O4' : rot 180:sc= 0.136 USER MOD Single : A 13 CRH O8 : rot 177:sc= 1.96 USER MOD Single : A 14ADDA O4 : rot 26:sc= 0.0238 USER MOD Single : A 14BDDL O4 : rot -21:sc= 0.0438 USER MOD Single : A 18CMDA O3 : rot 122:sc= -0.147 USER MOD Single : A 18CMDA O4 : rot -33:sc= -0.0117 USER MOD Single : A 25 DDA O3 : rot -103:sc= 1 USER MOD Single : A 25 DDA O4 : rot 25:sc= 0.0122 USER MOD Single : A 26 DDA O4 : rot 33:sc= 0.00847 USER MOD Single : A 27 CRH O3' : rot 150:sc= 0.0317 USER MOD Single : A 27 CRH O4' : rot -171:sc= 0.64 USER MOD Single : A 27 CRH O8 : rot 180:sc= 1.39 USER MOD Single : A 28ADDA O4 : rot 32:sc= 0.759 USER MOD Single : A 28BDDL O4 : rot -23:sc= 0.0387 USER MOD Single : A 29CMDA O3 : rot 70:sc= -2.07! USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 180:sc= -0.836 USER MOD Single : B 5 DT C7 :methyl 150:sc= -3.64! (180deg=-3.64!) USER MOD Single : B 9 DT C7 :methyl -30:sc= -1.64 (180deg=-2.38!) USER MOD Single : B 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 15 DDA O3 : rot -102:sc= 0.981 USER MOD Single : B 15 DDA O4 : rot 27:sc= 0.0139 USER MOD Single : B 16 DDA O4 : rot 30:sc= 0.00675 USER MOD Single : B 17 CRH O3' : rot 144:sc= 0.0285 USER MOD Single : B 17 CRH O4' : rot -171:sc= 0.662 USER MOD Single : B 17 CRH O8 : rot 174:sc= 1.56 USER MOD Single : B 18ADDA O4 : rot 37:sc= 1.02 USER MOD Single : B 18BDDL O4 : rot -31:sc= 0.047 USER MOD Single : B 21 DDA O3 : rot -97:sc= 1.04 USER MOD Single : B 21 DDA O4 : rot 29:sc= 0.0182 USER MOD Single : B 22 DDA O4 : rot 37:sc= 0.0251 USER MOD Single : B 23 CRH O3' : rot 156:sc= 0.134 USER MOD Single : B 23 CRH O4' : rot 180:sc= 0.172 USER MOD Single : B 23 CRH O8 : rot -177:sc= 1.91 USER MOD Single : B 24ADDA O4 : rot 28:sc= 0.0254 USER MOD Single : B 24BDDL O4 : rot -21:sc= 0.0397 USER MOD Single : B 28CMDA O3 : rot 129:sc= -0.131 USER MOD Single : B 28CMDA O4 : rot -31:sc=-0.00881 USER MOD Single : B 30CMDA O3 : rot 69:sc= -2.05! USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.512 11.738 -15.825 1.00 2.09 O ATOM 2 C5' DT A 1 -8.476 12.576 -16.989 1.00 2.04 C ATOM 3 C4' DT A 1 -7.051 12.724 -17.539 1.00 1.82 C ATOM 4 O4' DT A 1 -6.167 13.316 -16.568 1.00 1.71 O ATOM 5 C3' DT A 1 -6.406 11.397 -17.952 1.00 1.75 C ATOM 6 O3' DT A 1 -5.594 11.610 -19.117 1.00 1.65 O ATOM 7 C2' DT A 1 -5.605 11.046 -16.730 1.00 1.67 C ATOM 8 C1' DT A 1 -5.123 12.392 -16.226 1.00 1.59 C ATOM 9 N1 DT A 1 -4.985 12.399 -14.748 1.00 1.60 N ATOM 10 C2 DT A 1 -3.723 12.522 -14.201 1.00 1.42 C ATOM 11 O2 DT A 1 -2.690 12.611 -14.857 1.00 1.27 O ATOM 12 N3 DT A 1 -3.669 12.540 -12.834 1.00 1.44 N ATOM 13 C4 DT A 1 -4.716 12.448 -11.958 1.00 1.61 C ATOM 14 O4 DT A 1 -4.481 12.491 -10.753 1.00 1.61 O ATOM 15 C5 DT A 1 -6.007 12.320 -12.600 1.00 1.79 C ATOM 16 C7 DT A 1 -7.281 12.208 -11.754 1.00 2.00 C ATOM 17 C6 DT A 1 -6.096 12.300 -13.946 1.00 1.79 C ATOM 0 H5' DT A 1 -8.874 13.560 -16.741 1.00 2.04 H new ATOM 0 H5'' DT A 1 -9.122 12.156 -17.760 1.00 2.04 H new ATOM 0 H4' DT A 1 -7.173 13.359 -18.417 1.00 1.82 H new ATOM 0 H3' DT A 1 -7.097 10.601 -18.229 1.00 1.75 H new ATOM 0 H2' DT A 1 -6.213 10.532 -15.985 1.00 1.67 H new ATOM 0 H2'' DT A 1 -4.772 10.386 -16.972 1.00 1.67 H new ATOM 0 HO5' DT A 1 -9.434 11.668 -15.501 1.00 2.09 H new ATOM 0 H1' DT A 1 -4.153 12.636 -16.659 1.00 1.59 H new ATOM 0 H3 DT A 1 -2.741 12.633 -12.420 1.00 1.44 H new ATOM 0 H71 DT A 1 -8.120 12.640 -12.300 1.00 2.00 H new ATOM 0 H72 DT A 1 -7.487 11.159 -11.543 1.00 2.00 H new ATOM 0 H73 DT A 1 -7.143 12.746 -10.816 1.00 2.00 H new ATOM 0 H6 DT A 1 -7.068 12.203 -14.406 1.00 1.79 H new ATOM 31 P DA A 2 -5.040 10.381 -20.012 1.00 1.62 P ATOM 32 OP1 DA A 2 -4.614 10.925 -21.322 1.00 1.56 O ATOM 33 OP2 DA A 2 -6.040 9.290 -19.964 1.00 1.85 O ATOM 34 O5' DA A 2 -3.735 9.899 -19.193 1.00 1.47 O ATOM 35 C5' DA A 2 -2.404 10.327 -19.528 1.00 1.45 C ATOM 36 C4' DA A 2 -1.361 9.707 -18.596 1.00 1.29 C ATOM 37 O4' DA A 2 -1.515 10.129 -17.230 1.00 1.14 O ATOM 38 C3' DA A 2 -1.456 8.172 -18.551 1.00 1.27 C ATOM 39 O3' DA A 2 -0.399 7.625 -19.358 1.00 1.36 O ATOM 40 C2' DA A 2 -1.408 7.861 -17.059 1.00 1.09 C ATOM 41 C1' DA A 2 -0.899 9.131 -16.412 1.00 1.00 C ATOM 42 N9 DA A 2 -1.392 9.296 -15.036 1.00 0.89 N ATOM 43 C8 DA A 2 -2.632 9.001 -14.542 1.00 0.93 C ATOM 44 N7 DA A 2 -2.784 9.282 -13.279 1.00 0.86 N ATOM 45 C5 DA A 2 -1.544 9.802 -12.913 1.00 0.76 C ATOM 46 C6 DA A 2 -1.039 10.292 -11.706 1.00 0.68 C ATOM 47 N6 DA A 2 -1.767 10.341 -10.596 1.00 0.68 N ATOM 48 N1 DA A 2 0.231 10.729 -11.688 1.00 0.63 N ATOM 49 C2 DA A 2 0.962 10.685 -12.801 1.00 0.65 C ATOM 50 N3 DA A 2 0.586 10.244 -13.994 1.00 0.72 N ATOM 51 C4 DA A 2 -0.692 9.812 -13.978 1.00 0.78 C ATOM 0 H5' DA A 2 -2.345 11.414 -19.469 1.00 1.45 H new ATOM 0 H5'' DA A 2 -2.181 10.051 -20.559 1.00 1.45 H new ATOM 0 H4' DA A 2 -0.410 10.041 -19.010 1.00 1.29 H new ATOM 0 H3' DA A 2 -2.355 7.723 -18.972 1.00 1.27 H new ATOM 0 H2' DA A 2 -2.394 7.592 -16.680 1.00 1.09 H new ATOM 0 H2'' DA A 2 -0.747 7.020 -16.852 1.00 1.09 H new ATOM 0 H1' DA A 2 0.189 9.160 -16.349 1.00 1.00 H new ATOM 0 H8 DA A 2 -3.418 8.572 -15.146 1.00 0.93 H new ATOM 0 H61 DA A 2 -1.360 10.706 -9.735 1.00 0.68 H new ATOM 0 H62 DA A 2 -2.733 10.013 -10.605 1.00 0.68 H new ATOM 0 H2 DA A 2 1.976 11.050 -12.723 1.00 0.65 H new ATOM 63 P DG A 3 0.179 6.127 -19.210 1.00 1.36 P ATOM 64 OP1 DG A 3 1.103 5.861 -20.334 1.00 1.52 O ATOM 65 OP2 DG A 3 -0.937 5.198 -18.930 1.00 1.41 O ATOM 66 O5' DG A 3 1.073 6.265 -17.887 1.00 1.09 O ATOM 67 C5' DG A 3 2.210 7.140 -17.854 1.00 1.00 C ATOM 68 C4' DG A 3 2.790 7.196 -16.453 1.00 0.83 C ATOM 69 O4' DG A 3 1.811 7.664 -15.503 1.00 0.78 O ATOM 70 C3' DG A 3 3.239 5.816 -15.965 1.00 0.82 C ATOM 71 O3' DG A 3 4.660 5.691 -16.100 1.00 0.83 O ATOM 72 C2' DG A 3 2.756 5.826 -14.531 1.00 0.71 C ATOM 73 C1' DG A 3 2.303 7.235 -14.231 1.00 0.66 C ATOM 74 N9 DG A 3 1.237 7.155 -13.208 1.00 0.60 N ATOM 75 C8 DG A 3 0.009 6.590 -13.355 1.00 0.64 C ATOM 76 N7 DG A 3 -0.751 6.641 -12.298 1.00 0.59 N ATOM 77 C5 DG A 3 0.045 7.297 -11.366 1.00 0.50 C ATOM 78 C6 DG A 3 -0.224 7.654 -10.013 1.00 0.42 C ATOM 79 O6 DG A 3 -1.225 7.481 -9.325 1.00 0.41 O ATOM 80 N1 DG A 3 0.843 8.294 -9.444 1.00 0.36 N ATOM 81 C2 DG A 3 2.023 8.567 -10.073 1.00 0.37 C ATOM 82 N2 DG A 3 2.933 9.181 -9.355 1.00 0.32 N ATOM 83 N3 DG A 3 2.296 8.248 -11.331 1.00 0.44 N ATOM 84 C4 DG A 3 1.263 7.614 -11.917 1.00 0.50 C ATOM 0 H5' DG A 3 1.917 8.140 -18.174 1.00 1.00 H new ATOM 0 H5'' DG A 3 2.968 6.790 -18.555 1.00 1.00 H new ATOM 0 H4' DG A 3 3.640 7.876 -16.513 1.00 0.83 H new ATOM 0 H3' DG A 3 2.845 4.964 -16.520 1.00 0.82 H new ATOM 0 H2' DG A 3 1.937 5.120 -14.394 1.00 0.71 H new ATOM 0 H2'' DG A 3 3.554 5.524 -13.853 1.00 0.71 H new ATOM 0 H1' DG A 3 3.059 7.915 -13.838 1.00 0.66 H new ATOM 0 H8 DG A 3 -0.312 6.133 -14.279 1.00 0.64 H new ATOM 0 H1 DG A 3 0.749 8.591 -8.473 1.00 0.36 H new ATOM 0 H21 DG A 3 3.837 9.413 -9.767 1.00 0.32 H new ATOM 0 H22 DG A 3 2.737 9.426 -8.384 1.00 0.32 H new ATOM 96 P DC A 4 5.462 4.351 -15.679 1.00 0.84 P ATOM 97 OP1 DC A 4 6.813 4.424 -16.282 1.00 0.90 O ATOM 98 OP2 DC A 4 4.600 3.177 -15.947 1.00 0.97 O ATOM 99 O5' DC A 4 5.603 4.532 -14.087 1.00 0.67 O ATOM 100 C5' DC A 4 6.429 5.572 -13.547 1.00 0.51 C ATOM 101 C4' DC A 4 6.154 5.798 -12.069 1.00 0.45 C ATOM 102 O4' DC A 4 4.775 6.128 -11.830 1.00 0.47 O ATOM 103 C3' DC A 4 6.395 4.571 -11.197 1.00 0.51 C ATOM 104 O3' DC A 4 7.815 4.507 -10.937 1.00 0.47 O ATOM 105 C2' DC A 4 5.597 4.913 -9.980 1.00 0.44 C ATOM 106 C1' DC A 4 4.480 5.846 -10.452 1.00 0.39 C ATOM 107 N1 DC A 4 3.103 5.340 -10.214 1.00 0.41 N ATOM 108 C2 DC A 4 2.586 5.487 -8.931 1.00 0.34 C ATOM 109 O2 DC A 4 3.244 5.991 -8.025 1.00 0.31 O ATOM 110 N3 DC A 4 1.330 5.055 -8.675 1.00 0.37 N ATOM 111 C4 DC A 4 0.594 4.494 -9.633 1.00 0.45 C ATOM 112 N4 DC A 4 -0.637 4.103 -9.320 1.00 0.49 N ATOM 113 C5 DC A 4 1.101 4.326 -10.965 1.00 0.53 C ATOM 114 C6 DC A 4 2.356 4.762 -11.210 1.00 0.50 C ATOM 0 H5' DC A 4 6.254 6.498 -14.095 1.00 0.51 H new ATOM 0 H5'' DC A 4 7.478 5.313 -13.686 1.00 0.51 H new ATOM 0 H4' DC A 4 6.843 6.602 -11.809 1.00 0.45 H new ATOM 0 H3' DC A 4 6.111 3.603 -11.610 1.00 0.51 H new ATOM 0 H2' DC A 4 5.186 4.015 -9.519 1.00 0.44 H new ATOM 0 H2'' DC A 4 6.220 5.400 -9.230 1.00 0.44 H new ATOM 0 H1' DC A 4 4.469 6.760 -9.858 1.00 0.39 H new ATOM 0 H41 DC A 4 -1.230 3.669 -10.028 1.00 0.49 H new ATOM 0 H42 DC A 4 -0.989 4.237 -8.372 1.00 0.49 H new ATOM 0 H5 DC A 4 0.503 3.869 -11.740 1.00 0.53 H new ATOM 0 H6 DC A 4 2.776 4.655 -12.199 1.00 0.50 H new ATOM 126 P DT A 5 8.576 3.546 -9.869 1.00 0.52 P ATOM 127 OP1 DT A 5 9.854 3.116 -10.478 1.00 0.58 O ATOM 128 OP2 DT A 5 7.610 2.526 -9.391 1.00 0.60 O ATOM 129 O5' DT A 5 8.925 4.531 -8.626 1.00 0.51 O ATOM 130 C5' DT A 5 7.946 4.871 -7.634 1.00 0.46 C ATOM 131 C4' DT A 5 8.307 4.417 -6.229 1.00 0.46 C ATOM 132 O4' DT A 5 7.089 4.515 -5.449 1.00 0.47 O ATOM 133 C3' DT A 5 8.743 2.956 -6.088 1.00 0.48 C ATOM 134 O3' DT A 5 9.667 2.826 -5.000 1.00 0.51 O ATOM 135 C2' DT A 5 7.470 2.201 -5.863 1.00 0.49 C ATOM 136 C1' DT A 5 6.557 3.199 -5.161 1.00 0.45 C ATOM 137 N1 DT A 5 5.156 2.995 -5.617 1.00 0.43 N ATOM 138 C2 DT A 5 4.148 3.037 -4.660 1.00 0.43 C ATOM 139 O2 DT A 5 4.328 3.244 -3.462 1.00 0.47 O ATOM 140 N3 DT A 5 2.878 2.817 -5.129 1.00 0.42 N ATOM 141 C4 DT A 5 2.518 2.564 -6.426 1.00 0.42 C ATOM 142 O4 DT A 5 1.341 2.397 -6.710 1.00 0.44 O ATOM 143 C5 DT A 5 3.605 2.532 -7.354 1.00 0.42 C ATOM 144 C7 DT A 5 3.323 2.210 -8.815 1.00 0.48 C ATOM 145 C6 DT A 5 4.860 2.747 -6.942 1.00 0.42 C ATOM 0 H5' DT A 5 6.991 4.427 -7.914 1.00 0.46 H new ATOM 0 H5'' DT A 5 7.807 5.952 -7.631 1.00 0.46 H new ATOM 0 H4' DT A 5 9.146 5.039 -5.918 1.00 0.46 H new ATOM 0 H3' DT A 5 9.268 2.572 -6.963 1.00 0.48 H new ATOM 0 H2' DT A 5 7.038 1.861 -6.804 1.00 0.49 H new ATOM 0 H2'' DT A 5 7.636 1.315 -5.250 1.00 0.49 H new ATOM 0 H1' DT A 5 6.530 3.068 -4.079 1.00 0.45 H new ATOM 0 H3 DT A 5 2.125 2.845 -4.442 1.00 0.42 H new ATOM 0 H71 DT A 5 4.054 2.715 -9.447 1.00 0.48 H new ATOM 0 H72 DT A 5 3.392 1.133 -8.970 1.00 0.48 H new ATOM 0 H73 DT A 5 2.321 2.551 -9.076 1.00 0.48 H new ATOM 0 H6 DT A 5 5.662 2.726 -7.665 1.00 0.42 H new ATOM 158 P DA A 6 10.320 1.398 -4.622 1.00 0.53 P ATOM 159 OP1 DA A 6 11.439 1.635 -3.681 1.00 0.62 O ATOM 160 OP2 DA A 6 10.558 0.645 -5.874 1.00 0.64 O ATOM 161 O5' DA A 6 9.109 0.677 -3.826 1.00 0.47 O ATOM 162 C5' DA A 6 8.893 0.899 -2.422 1.00 0.43 C ATOM 163 C4' DA A 6 7.841 -0.044 -1.826 1.00 0.35 C ATOM 164 O4' DA A 6 6.511 0.283 -2.276 1.00 0.35 O ATOM 165 C3' DA A 6 8.059 -1.529 -2.168 1.00 0.31 C ATOM 166 O3' DA A 6 8.440 -2.265 -0.996 1.00 0.31 O ATOM 167 C2' DA A 6 6.739 -1.951 -2.772 1.00 0.32 C ATOM 168 C1' DA A 6 5.720 -0.908 -2.347 1.00 0.35 C ATOM 169 N9 DA A 6 4.734 -0.678 -3.416 1.00 0.35 N ATOM 170 C8 DA A 6 4.960 -0.455 -4.750 1.00 0.34 C ATOM 171 N7 DA A 6 3.878 -0.286 -5.451 1.00 0.34 N ATOM 172 C5 DA A 6 2.863 -0.408 -4.509 1.00 0.34 C ATOM 173 C6 DA A 6 1.478 -0.333 -4.607 1.00 0.35 C ATOM 174 N6 DA A 6 0.866 -0.118 -5.761 1.00 0.36 N ATOM 175 N1 DA A 6 0.760 -0.497 -3.486 1.00 0.36 N ATOM 176 C2 DA A 6 1.383 -0.724 -2.334 1.00 0.37 C ATOM 177 N3 DA A 6 2.684 -0.818 -2.118 1.00 0.36 N ATOM 178 C4 DA A 6 3.375 -0.647 -3.267 1.00 0.35 C ATOM 0 H5' DA A 6 8.579 1.931 -2.266 1.00 0.43 H new ATOM 0 H5'' DA A 6 9.835 0.768 -1.889 1.00 0.43 H new ATOM 0 H4' DA A 6 7.951 0.099 -0.751 1.00 0.35 H new ATOM 0 H3' DA A 6 8.876 -1.717 -2.865 1.00 0.31 H new ATOM 0 H2' DA A 6 6.809 -2.006 -3.858 1.00 0.32 H new ATOM 0 H2'' DA A 6 6.450 -2.942 -2.421 1.00 0.32 H new ATOM 0 H1' DA A 6 5.193 -1.195 -1.437 1.00 0.35 H new ATOM 0 H8 DA A 6 5.950 -0.423 -5.181 1.00 0.34 H new ATOM 0 H61 DA A 6 -0.152 -0.069 -5.797 1.00 0.36 H new ATOM 0 H62 DA A 6 1.413 -0.002 -6.614 1.00 0.36 H new ATOM 0 H2 DA A 6 0.749 -0.847 -1.468 1.00 0.37 H new ATOM 190 P DG A 7 8.510 -3.879 -0.963 1.00 0.32 P ATOM 191 OP1 DG A 7 9.095 -4.288 0.333 1.00 0.38 O ATOM 192 OP2 DG A 7 9.089 -4.372 -2.232 1.00 0.41 O ATOM 193 O5' DG A 7 6.943 -4.257 -0.931 1.00 0.32 O ATOM 194 C5' DG A 7 6.180 -3.882 0.224 1.00 0.31 C ATOM 195 C4' DG A 7 4.697 -4.140 0.096 1.00 0.30 C ATOM 196 O4' DG A 7 4.151 -3.378 -0.988 1.00 0.30 O ATOM 197 C3' DG A 7 4.364 -5.588 -0.254 1.00 0.30 C ATOM 198 O3' DG A 7 4.122 -6.399 0.902 1.00 0.35 O ATOM 199 C2' DG A 7 3.120 -5.434 -1.055 1.00 0.26 C ATOM 200 C1' DG A 7 2.881 -3.968 -1.275 1.00 0.27 C ATOM 201 N9 DG A 7 2.589 -3.806 -2.702 1.00 0.27 N ATOM 202 C8 DG A 7 3.527 -3.731 -3.664 1.00 0.29 C ATOM 203 N7 DG A 7 3.056 -3.573 -4.874 1.00 0.30 N ATOM 204 C5 DG A 7 1.674 -3.545 -4.676 1.00 0.29 C ATOM 205 C6 DG A 7 0.600 -3.398 -5.609 1.00 0.30 C ATOM 206 O6 DG A 7 0.610 -3.243 -6.826 1.00 0.36 O ATOM 207 N1 DG A 7 -0.622 -3.432 -4.980 1.00 0.29 N ATOM 208 C2 DG A 7 -0.811 -3.582 -3.633 1.00 0.28 C ATOM 209 N2 DG A 7 -2.059 -3.610 -3.220 1.00 0.31 N ATOM 210 N3 DG A 7 0.172 -3.717 -2.750 1.00 0.27 N ATOM 211 C4 DG A 7 1.385 -3.689 -3.341 1.00 0.27 C ATOM 0 H5' DG A 7 6.337 -2.822 0.421 1.00 0.31 H new ATOM 0 H5'' DG A 7 6.559 -4.427 1.089 1.00 0.31 H new ATOM 0 H4' DG A 7 4.284 -3.874 1.069 1.00 0.30 H new ATOM 0 H3' DG A 7 5.181 -6.092 -0.770 1.00 0.30 H new ATOM 0 H2' DG A 7 3.217 -5.951 -2.010 1.00 0.26 H new ATOM 0 H2'' DG A 7 2.274 -5.883 -0.534 1.00 0.26 H new ATOM 0 H1' DG A 7 2.075 -3.538 -0.680 1.00 0.27 H new ATOM 0 H8 DG A 7 4.584 -3.796 -3.454 1.00 0.29 H new ATOM 0 H1 DG A 7 -1.453 -3.338 -5.563 1.00 0.29 H new ATOM 0 H21 DG A 7 -2.265 -3.720 -2.227 1.00 0.31 H new ATOM 0 H22 DG A 7 -2.821 -3.522 -3.893 1.00 0.31 H new ATOM 223 P DC A 8 3.870 -7.994 0.770 1.00 0.38 P ATOM 224 OP1 DC A 8 3.882 -8.561 2.138 1.00 0.47 O ATOM 225 OP2 DC A 8 4.798 -8.530 -0.252 1.00 0.43 O ATOM 226 O5' DC A 8 2.362 -8.096 0.185 1.00 0.35 O ATOM 227 C5' DC A 8 1.208 -7.949 1.030 1.00 0.35 C ATOM 228 C4' DC A 8 -0.110 -8.005 0.259 1.00 0.31 C ATOM 229 O4' DC A 8 -0.236 -6.937 -0.689 1.00 0.29 O ATOM 230 C3' DC A 8 -0.311 -9.277 -0.576 1.00 0.36 C ATOM 231 O3' DC A 8 -0.734 -10.383 0.246 1.00 0.45 O ATOM 232 C2' DC A 8 -1.447 -8.792 -1.443 1.00 0.31 C ATOM 233 C1' DC A 8 -1.111 -7.353 -1.750 1.00 0.27 C ATOM 234 N1 DC A 8 -0.518 -7.112 -3.086 1.00 0.28 N ATOM 235 C2 DC A 8 -1.361 -7.080 -4.184 1.00 0.29 C ATOM 236 O2 DC A 8 -2.565 -7.282 -4.073 1.00 0.30 O ATOM 237 N3 DC A 8 -0.829 -6.823 -5.405 1.00 0.31 N ATOM 238 C4 DC A 8 0.479 -6.606 -5.552 1.00 0.32 C ATOM 239 N4 DC A 8 0.948 -6.348 -6.767 1.00 0.37 N ATOM 240 C5 DC A 8 1.360 -6.639 -4.428 1.00 0.32 C ATOM 241 C6 DC A 8 0.819 -6.898 -3.229 1.00 0.29 C ATOM 0 H5' DC A 8 1.272 -6.999 1.560 1.00 0.35 H new ATOM 0 H5'' DC A 8 1.215 -8.736 1.784 1.00 0.35 H new ATOM 0 H4' DC A 8 -0.847 -7.951 1.061 1.00 0.31 H new ATOM 0 H3' DC A 8 0.572 -9.647 -1.097 1.00 0.36 H new ATOM 0 H2' DC A 8 -1.528 -9.383 -2.356 1.00 0.31 H new ATOM 0 H2'' DC A 8 -2.403 -8.873 -0.925 1.00 0.31 H new ATOM 0 H1' DC A 8 -2.029 -6.768 -1.797 1.00 0.27 H new ATOM 0 H41 DC A 8 1.945 -6.179 -6.904 1.00 0.37 H new ATOM 0 H42 DC A 8 0.312 -6.319 -7.564 1.00 0.37 H new ATOM 0 H5 DC A 8 2.420 -6.462 -4.540 1.00 0.32 H new ATOM 0 H6 DC A 8 1.457 -6.938 -2.358 1.00 0.29 H new ATOM 253 P DT A 9 -1.241 -11.773 -0.415 1.00 0.54 P ATOM 254 OP1 DT A 9 -1.609 -12.727 0.655 1.00 0.64 O ATOM 255 OP2 DT A 9 -0.278 -12.173 -1.466 1.00 0.59 O ATOM 256 O5' DT A 9 -2.605 -11.317 -1.146 1.00 0.50 O ATOM 257 C5' DT A 9 -3.824 -10.980 -0.453 1.00 0.46 C ATOM 258 C4' DT A 9 -5.011 -11.309 -1.347 1.00 0.43 C ATOM 259 O4' DT A 9 -5.032 -10.513 -2.544 1.00 0.40 O ATOM 260 C3' DT A 9 -5.011 -12.763 -1.736 1.00 0.57 C ATOM 261 O3' DT A 9 -6.329 -13.242 -1.445 1.00 0.59 O ATOM 262 C2' DT A 9 -4.648 -12.735 -3.174 1.00 0.58 C ATOM 263 C1' DT A 9 -5.065 -11.374 -3.685 1.00 0.47 C ATOM 264 N1 DT A 9 -4.010 -10.907 -4.606 1.00 0.48 N ATOM 265 C2 DT A 9 -4.329 -10.517 -5.891 1.00 0.50 C ATOM 266 O2 DT A 9 -5.468 -10.516 -6.347 1.00 0.50 O ATOM 267 N3 DT A 9 -3.268 -10.116 -6.665 1.00 0.56 N ATOM 268 C4 DT A 9 -1.946 -10.067 -6.284 1.00 0.60 C ATOM 269 O4 DT A 9 -1.112 -9.677 -7.094 1.00 0.66 O ATOM 270 C5 DT A 9 -1.701 -10.493 -4.926 1.00 0.58 C ATOM 271 C7 DT A 9 -0.285 -10.530 -4.345 1.00 0.64 C ATOM 272 C6 DT A 9 -2.721 -10.884 -4.156 1.00 0.53 C ATOM 0 H5' DT A 9 -3.830 -9.921 -0.195 1.00 0.46 H new ATOM 0 H5'' DT A 9 -3.891 -11.536 0.482 1.00 0.46 H new ATOM 0 H4' DT A 9 -5.901 -11.081 -0.761 1.00 0.43 H new ATOM 0 H3' DT A 9 -4.321 -13.428 -1.217 1.00 0.57 H new ATOM 0 H2' DT A 9 -3.578 -12.891 -3.309 1.00 0.58 H new ATOM 0 H2'' DT A 9 -5.157 -13.529 -3.720 1.00 0.58 H new ATOM 0 H1' DT A 9 -6.038 -11.392 -4.176 1.00 0.47 H new ATOM 0 H3 DT A 9 -3.481 -9.825 -7.619 1.00 0.56 H new ATOM 0 H71 DT A 9 0.431 -10.729 -5.143 1.00 0.64 H new ATOM 0 H72 DT A 9 -0.056 -9.570 -3.883 1.00 0.64 H new ATOM 0 H73 DT A 9 -0.220 -11.318 -3.595 1.00 0.64 H new ATOM 0 H6 DT A 9 -2.518 -11.193 -3.141 1.00 0.53 H new ATOM 285 P DA A 10 -6.800 -14.761 -1.675 1.00 0.79 P ATOM 286 OP1 DA A 10 -8.179 -14.904 -1.156 1.00 0.86 O ATOM 287 OP2 DA A 10 -5.730 -15.670 -1.204 1.00 0.90 O ATOM 288 O5' DA A 10 -6.848 -14.837 -3.286 1.00 0.78 O ATOM 289 C5' DA A 10 -7.793 -14.097 -4.077 1.00 0.68 C ATOM 290 C4' DA A 10 -7.423 -14.162 -5.551 1.00 0.69 C ATOM 291 O4' DA A 10 -6.153 -13.558 -5.768 1.00 0.71 O ATOM 292 C3' DA A 10 -7.229 -15.605 -6.034 1.00 0.82 C ATOM 293 O3' DA A 10 -8.423 -16.205 -6.546 1.00 0.87 O ATOM 294 C2' DA A 10 -6.100 -15.498 -7.045 1.00 0.86 C ATOM 295 C1' DA A 10 -5.756 -14.020 -7.054 1.00 0.79 C ATOM 296 N9 DA A 10 -4.339 -13.712 -7.163 1.00 0.90 N ATOM 297 C8 DA A 10 -3.386 -13.928 -6.228 1.00 0.99 C ATOM 298 N7 DA A 10 -2.193 -13.523 -6.582 1.00 1.09 N ATOM 299 C5 DA A 10 -2.401 -13.000 -7.861 1.00 1.06 C ATOM 300 C6 DA A 10 -1.555 -12.403 -8.811 1.00 1.15 C ATOM 301 N6 DA A 10 -0.252 -12.200 -8.648 1.00 1.28 N ATOM 302 N1 DA A 10 -2.113 -12.012 -9.962 1.00 1.12 N ATOM 303 C2 DA A 10 -3.411 -12.190 -10.175 1.00 1.01 C ATOM 304 N3 DA A 10 -4.302 -12.731 -9.368 1.00 0.94 N ATOM 305 C4 DA A 10 -3.715 -13.119 -8.215 1.00 0.96 C ATOM 0 H5' DA A 10 -7.817 -13.058 -3.748 1.00 0.68 H new ATOM 0 H5'' DA A 10 -8.795 -14.501 -3.930 1.00 0.68 H new ATOM 0 H4' DA A 10 -8.238 -13.665 -6.078 1.00 0.69 H new ATOM 0 H3' DA A 10 -6.979 -16.285 -5.220 1.00 0.82 H new ATOM 0 H2' DA A 10 -5.243 -16.106 -6.753 1.00 0.86 H new ATOM 0 H2'' DA A 10 -6.413 -15.841 -8.031 1.00 0.86 H new ATOM 0 HO3' DA A 10 -8.230 -17.121 -6.837 1.00 0.87 H new ATOM 0 H1' DA A 10 -6.241 -13.567 -7.918 1.00 0.79 H new ATOM 0 H8 DA A 10 -3.591 -14.393 -5.275 1.00 0.99 H new ATOM 0 H61 DA A 10 0.292 -11.759 -9.389 1.00 1.28 H new ATOM 0 H62 DA A 10 0.204 -12.486 -7.782 1.00 1.28 H new ATOM 0 H2 DA A 10 -3.784 -11.849 -11.129 1.00 1.01 H new TER 318 DA A 10 ATOM 319 O5' DT B 1 1.042 -10.954 -17.756 1.00 2.09 O ATOM 320 C5' DT B 1 0.349 -11.900 -18.584 1.00 2.06 C ATOM 321 C4' DT B 1 -1.120 -12.055 -18.166 1.00 1.84 C ATOM 322 O4' DT B 1 -1.238 -12.521 -16.808 1.00 1.75 O ATOM 323 C3' DT B 1 -1.925 -10.754 -18.240 1.00 1.77 C ATOM 324 O3' DT B 1 -3.263 -11.054 -18.671 1.00 1.65 O ATOM 325 C2' DT B 1 -1.854 -10.261 -16.823 1.00 1.70 C ATOM 326 C1' DT B 1 -1.901 -11.536 -16.002 1.00 1.62 C ATOM 327 N1 DT B 1 -1.134 -11.396 -14.741 1.00 1.61 N ATOM 328 C2 DT B 1 -1.821 -11.425 -13.542 1.00 1.42 C ATOM 329 O2 DT B 1 -3.039 -11.544 -13.447 1.00 1.26 O ATOM 330 N3 DT B 1 -1.054 -11.309 -12.415 1.00 1.42 N ATOM 331 C4 DT B 1 0.306 -11.165 -12.346 1.00 1.60 C ATOM 332 O4 DT B 1 0.833 -11.084 -11.239 1.00 1.61 O ATOM 333 C5 DT B 1 0.960 -11.141 -13.636 1.00 1.79 C ATOM 334 C7 DT B 1 2.483 -10.989 -13.728 1.00 2.00 C ATOM 335 C6 DT B 1 0.232 -11.255 -14.768 1.00 1.79 C ATOM 0 H5' DT B 1 0.847 -12.868 -18.526 1.00 2.06 H new ATOM 0 H5'' DT B 1 0.399 -11.578 -19.624 1.00 2.06 H new ATOM 0 H4' DT B 1 -1.521 -12.774 -18.880 1.00 1.84 H new ATOM 0 H3' DT B 1 -1.559 -10.009 -18.946 1.00 1.77 H new ATOM 0 H2' DT B 1 -0.939 -9.699 -16.639 1.00 1.70 H new ATOM 0 H2'' DT B 1 -2.687 -9.600 -16.586 1.00 1.70 H new ATOM 0 HO5' DT B 1 1.974 -10.883 -18.050 1.00 2.09 H new ATOM 0 H1' DT B 1 -2.930 -11.789 -15.745 1.00 1.62 H new ATOM 0 H3 DT B 1 -1.552 -11.332 -11.525 1.00 1.42 H new ATOM 0 H71 DT B 1 2.846 -11.498 -14.621 1.00 2.00 H new ATOM 0 H72 DT B 1 2.740 -9.931 -13.783 1.00 2.00 H new ATOM 0 H73 DT B 1 2.947 -11.429 -12.845 1.00 2.00 H new ATOM 0 H6 DT B 1 0.738 -11.235 -15.722 1.00 1.79 H new ATOM 349 P DA B 2 -4.277 -9.899 -19.175 1.00 1.62 P ATOM 350 OP1 DA B 2 -5.380 -10.553 -19.916 1.00 1.57 O ATOM 351 OP2 DA B 2 -3.478 -8.841 -19.836 1.00 1.84 O ATOM 352 O5' DA B 2 -4.855 -9.299 -17.793 1.00 1.50 O ATOM 353 C5' DA B 2 -6.113 -9.713 -17.230 1.00 1.44 C ATOM 354 C4' DA B 2 -6.420 -8.973 -15.926 1.00 1.30 C ATOM 355 O4' DA B 2 -5.469 -9.267 -14.886 1.00 1.13 O ATOM 356 C3' DA B 2 -6.364 -7.445 -16.095 1.00 1.26 C ATOM 357 O3' DA B 2 -7.711 -6.946 -16.166 1.00 1.36 O ATOM 358 C2' DA B 2 -5.528 -6.989 -14.903 1.00 1.11 C ATOM 359 C1' DA B 2 -5.512 -8.175 -13.963 1.00 0.98 C ATOM 360 N9 DA B 2 -4.294 -8.223 -13.138 1.00 0.89 N ATOM 361 C8 DA B 2 -3.014 -7.919 -13.508 1.00 0.93 C ATOM 362 N7 DA B 2 -2.133 -8.082 -12.560 1.00 0.85 N ATOM 363 C5 DA B 2 -2.897 -8.525 -11.484 1.00 0.77 C ATOM 364 C6 DA B 2 -2.572 -8.880 -10.171 1.00 0.68 C ATOM 365 N6 DA B 2 -1.326 -8.845 -9.711 1.00 0.67 N ATOM 366 N1 DA B 2 -3.568 -9.272 -9.362 1.00 0.62 N ATOM 367 C2 DA B 2 -4.817 -9.313 -9.822 1.00 0.64 C ATOM 368 N3 DA B 2 -5.238 -9.002 -11.042 1.00 0.73 N ATOM 369 C4 DA B 2 -4.214 -8.612 -11.828 1.00 0.79 C ATOM 0 H5' DA B 2 -6.092 -10.787 -17.043 1.00 1.44 H new ATOM 0 H5'' DA B 2 -6.911 -9.530 -17.949 1.00 1.44 H new ATOM 0 H4' DA B 2 -7.420 -9.314 -15.659 1.00 1.30 H new ATOM 0 H3' DA B 2 -5.903 -7.068 -17.008 1.00 1.26 H new ATOM 0 H2' DA B 2 -4.519 -6.714 -15.210 1.00 1.11 H new ATOM 0 H2'' DA B 2 -5.966 -6.112 -14.426 1.00 1.11 H new ATOM 0 H1' DA B 2 -6.349 -8.163 -13.265 1.00 0.98 H new ATOM 0 H8 DA B 2 -2.755 -7.574 -14.498 1.00 0.93 H new ATOM 0 H61 DA B 2 -1.131 -9.112 -8.746 1.00 0.67 H new ATOM 0 H62 DA B 2 -0.565 -8.551 -10.323 1.00 0.67 H new ATOM 0 H2 DA B 2 -5.574 -9.636 -9.123 1.00 0.64 H new ATOM 381 P DG B 3 -8.135 -5.423 -15.849 1.00 1.35 P ATOM 382 OP1 DG B 3 -9.553 -5.236 -16.226 1.00 1.53 O ATOM 383 OP2 DG B 3 -7.101 -4.507 -16.377 1.00 1.40 O ATOM 384 O5' DG B 3 -8.064 -5.403 -14.247 1.00 1.09 O ATOM 385 C5' DG B 3 -8.932 -6.235 -13.463 1.00 1.01 C ATOM 386 C4' DG B 3 -8.567 -6.136 -11.993 1.00 0.84 C ATOM 387 O4' DG B 3 -7.200 -6.542 -11.769 1.00 0.81 O ATOM 388 C3' DG B 3 -8.683 -4.702 -11.470 1.00 0.82 C ATOM 389 O3' DG B 3 -9.909 -4.546 -10.748 1.00 0.81 O ATOM 390 C2' DG B 3 -7.441 -4.589 -10.610 1.00 0.71 C ATOM 391 C1' DG B 3 -6.855 -5.976 -10.503 1.00 0.65 C ATOM 392 N9 DG B 3 -5.392 -5.830 -10.325 1.00 0.59 N ATOM 393 C8 DG B 3 -4.510 -5.323 -11.225 1.00 0.63 C ATOM 394 N7 DG B 3 -3.270 -5.296 -10.827 1.00 0.58 N ATOM 395 C5 DG B 3 -3.337 -5.833 -9.545 1.00 0.49 C ATOM 396 C6 DG B 3 -2.306 -6.065 -8.590 1.00 0.43 C ATOM 397 O6 DG B 3 -1.099 -5.859 -8.650 1.00 0.44 O ATOM 398 N1 DG B 3 -2.807 -6.613 -7.439 1.00 0.37 N ATOM 399 C2 DG B 3 -4.119 -6.908 -7.217 1.00 0.37 C ATOM 400 N2 DG B 3 -4.407 -7.421 -6.042 1.00 0.34 N ATOM 401 N3 DG B 3 -5.096 -6.703 -8.090 1.00 0.43 N ATOM 402 C4 DG B 3 -4.633 -6.162 -9.234 1.00 0.49 C ATOM 0 H5' DG B 3 -8.854 -7.270 -13.796 1.00 1.01 H new ATOM 0 H5'' DG B 3 -9.969 -5.931 -13.609 1.00 1.01 H new ATOM 0 H4' DG B 3 -9.266 -6.790 -11.471 1.00 0.84 H new ATOM 0 H3' DG B 3 -8.724 -3.920 -12.228 1.00 0.82 H new ATOM 0 H2' DG B 3 -6.724 -3.900 -11.056 1.00 0.71 H new ATOM 0 H2'' DG B 3 -7.689 -4.197 -9.623 1.00 0.71 H new ATOM 0 H1' DG B 3 -7.209 -6.591 -9.675 1.00 0.65 H new ATOM 0 H8 DG B 3 -4.814 -4.968 -12.199 1.00 0.63 H new ATOM 0 H1 DG B 3 -2.146 -6.816 -6.689 1.00 0.37 H new ATOM 0 H21 DG B 3 -5.371 -7.664 -5.814 1.00 0.34 H new ATOM 0 H22 DG B 3 -3.666 -7.577 -5.358 1.00 0.34 H new ATOM 414 P DC B 4 -10.347 -3.147 -10.065 1.00 0.83 P ATOM 415 OP1 DC B 4 -11.789 -3.234 -9.739 1.00 0.89 O ATOM 416 OP2 DC B 4 -9.850 -2.032 -10.903 1.00 0.95 O ATOM 417 O5' DC B 4 -9.510 -3.167 -8.690 1.00 0.66 O ATOM 418 C5' DC B 4 -9.820 -4.124 -7.669 1.00 0.52 C ATOM 419 C4' DC B 4 -8.716 -4.215 -6.628 1.00 0.44 C ATOM 420 O4' DC B 4 -7.454 -4.564 -7.224 1.00 0.45 O ATOM 421 C3' DC B 4 -8.431 -2.902 -5.907 1.00 0.49 C ATOM 422 O3' DC B 4 -9.421 -2.768 -4.864 1.00 0.49 O ATOM 423 C2' DC B 4 -7.057 -3.149 -5.376 1.00 0.44 C ATOM 424 C1' DC B 4 -6.408 -4.160 -6.325 1.00 0.37 C ATOM 425 N1 DC B 4 -5.175 -3.676 -7.001 1.00 0.38 N ATOM 426 C2 DC B 4 -3.994 -3.716 -6.268 1.00 0.32 C ATOM 427 O2 DC B 4 -3.970 -4.109 -5.105 1.00 0.30 O ATOM 428 N3 DC B 4 -2.845 -3.301 -6.851 1.00 0.36 N ATOM 429 C4 DC B 4 -2.840 -2.860 -8.107 1.00 0.46 C ATOM 430 N4 DC B 4 -1.677 -2.480 -8.624 1.00 0.52 N ATOM 431 C5 DC B 4 -4.043 -2.805 -8.886 1.00 0.54 C ATOM 432 C6 DC B 4 -5.184 -3.222 -8.295 1.00 0.50 C ATOM 0 H5' DC B 4 -9.974 -5.103 -8.123 1.00 0.52 H new ATOM 0 H5'' DC B 4 -10.756 -3.847 -7.183 1.00 0.52 H new ATOM 0 H4' DC B 4 -9.091 -4.967 -5.934 1.00 0.44 H new ATOM 0 H3' DC B 4 -8.478 -1.988 -6.499 1.00 0.49 H new ATOM 0 H2' DC B 4 -6.482 -2.224 -5.340 1.00 0.44 H new ATOM 0 H2'' DC B 4 -7.097 -3.540 -4.359 1.00 0.44 H new ATOM 0 H1' DC B 4 -6.018 -5.012 -5.768 1.00 0.37 H new ATOM 0 H41 DC B 4 -1.633 -2.136 -9.583 1.00 0.52 H new ATOM 0 H42 DC B 4 -0.828 -2.532 -8.062 1.00 0.52 H new ATOM 0 H5 DC B 4 -4.037 -2.445 -9.904 1.00 0.54 H new ATOM 0 H6 DC B 4 -6.112 -3.198 -8.847 1.00 0.50 H new ATOM 444 P DT B 5 -9.430 -1.684 -3.651 1.00 0.53 P ATOM 445 OP1 DT B 5 -10.834 -1.274 -3.422 1.00 0.60 O ATOM 446 OP2 DT B 5 -8.403 -0.654 -3.941 1.00 0.61 O ATOM 447 O5' DT B 5 -8.943 -2.533 -2.355 1.00 0.52 O ATOM 448 C5' DT B 5 -7.557 -2.806 -2.111 1.00 0.48 C ATOM 449 C4' DT B 5 -7.027 -2.207 -0.818 1.00 0.47 C ATOM 450 O4' DT B 5 -5.581 -2.268 -0.908 1.00 0.46 O ATOM 451 C3' DT B 5 -7.341 -0.725 -0.589 1.00 0.48 C ATOM 452 O3' DT B 5 -7.443 -0.462 0.818 1.00 0.52 O ATOM 453 C2' DT B 5 -6.206 0.007 -1.236 1.00 0.49 C ATOM 454 C1' DT B 5 -5.024 -0.949 -1.119 1.00 0.44 C ATOM 455 N1 DT B 5 -4.175 -0.835 -2.335 1.00 0.41 N ATOM 456 C2 DT B 5 -2.795 -0.815 -2.164 1.00 0.42 C ATOM 457 O2 DT B 5 -2.222 -0.900 -1.080 1.00 0.48 O ATOM 458 N3 DT B 5 -2.058 -0.683 -3.314 1.00 0.41 N ATOM 459 C4 DT B 5 -2.547 -0.567 -4.588 1.00 0.42 C ATOM 460 O4 DT B 5 -1.773 -0.466 -5.530 1.00 0.45 O ATOM 461 C5 DT B 5 -3.972 -0.590 -4.688 1.00 0.43 C ATOM 462 C7 DT B 5 -4.622 -0.420 -6.055 1.00 0.48 C ATOM 463 C6 DT B 5 -4.730 -0.725 -3.594 1.00 0.42 C ATOM 0 H5' DT B 5 -6.969 -2.422 -2.945 1.00 0.48 H new ATOM 0 H5'' DT B 5 -7.409 -3.886 -2.087 1.00 0.48 H new ATOM 0 H4' DT B 5 -7.496 -2.769 -0.011 1.00 0.47 H new ATOM 0 H3' DT B 5 -8.293 -0.410 -1.015 1.00 0.48 H new ATOM 0 H2' DT B 5 -6.426 0.241 -2.277 1.00 0.49 H new ATOM 0 H2'' DT B 5 -6.004 0.952 -0.732 1.00 0.49 H new ATOM 0 H1' DT B 5 -4.365 -0.717 -0.282 1.00 0.44 H new ATOM 0 H3 DT B 5 -1.043 -0.670 -3.209 1.00 0.41 H new ATOM 0 H71 DT B 5 -5.569 -0.960 -6.077 1.00 0.48 H new ATOM 0 H72 DT B 5 -4.803 0.638 -6.243 1.00 0.48 H new ATOM 0 H73 DT B 5 -3.960 -0.817 -6.825 1.00 0.48 H new ATOM 0 H6 DT B 5 -5.805 -0.749 -3.699 1.00 0.42 H new ATOM 476 P DA B 6 -7.789 1.015 1.369 1.00 0.56 P ATOM 477 OP1 DA B 6 -8.122 0.906 2.807 1.00 0.65 O ATOM 478 OP2 DA B 6 -8.747 1.651 0.436 1.00 0.63 O ATOM 479 O5' DA B 6 -6.366 1.771 1.217 1.00 0.50 O ATOM 480 C5' DA B 6 -5.352 1.680 2.232 1.00 0.42 C ATOM 481 C4' DA B 6 -4.184 2.641 1.993 1.00 0.35 C ATOM 482 O4' DA B 6 -3.370 2.230 0.876 1.00 0.34 O ATOM 483 C3' DA B 6 -4.608 4.093 1.706 1.00 0.32 C ATOM 484 O3' DA B 6 -4.242 4.951 2.798 1.00 0.33 O ATOM 485 C2' DA B 6 -3.917 4.412 0.400 1.00 0.31 C ATOM 486 C1' DA B 6 -2.812 3.382 0.235 1.00 0.35 C ATOM 487 N9 DA B 6 -2.646 3.019 -1.181 1.00 0.34 N ATOM 488 C8 DA B 6 -3.611 2.676 -2.092 1.00 0.34 C ATOM 489 N7 DA B 6 -3.153 2.406 -3.278 1.00 0.34 N ATOM 490 C5 DA B 6 -1.781 2.586 -3.138 1.00 0.34 C ATOM 491 C6 DA B 6 -0.723 2.458 -4.032 1.00 0.36 C ATOM 492 N6 DA B 6 -0.908 2.112 -5.296 1.00 0.36 N ATOM 493 N1 DA B 6 0.515 2.706 -3.578 1.00 0.37 N ATOM 494 C2 DA B 6 0.688 3.063 -2.310 1.00 0.37 C ATOM 495 N3 DA B 6 -0.231 3.219 -1.373 1.00 0.35 N ATOM 496 C4 DA B 6 -1.463 2.959 -1.866 1.00 0.34 C ATOM 0 H5' DA B 6 -4.974 0.658 2.270 1.00 0.42 H new ATOM 0 H5'' DA B 6 -5.798 1.892 3.204 1.00 0.42 H new ATOM 0 H4' DA B 6 -3.632 2.605 2.932 1.00 0.35 H new ATOM 0 H3' DA B 6 -5.684 4.240 1.616 1.00 0.32 H new ATOM 0 H2' DA B 6 -4.619 4.365 -0.432 1.00 0.31 H new ATOM 0 H2'' DA B 6 -3.507 5.422 0.414 1.00 0.31 H new ATOM 0 H1' DA B 6 -1.857 3.737 0.621 1.00 0.35 H new ATOM 0 H8 DA B 6 -4.662 2.634 -1.845 1.00 0.34 H new ATOM 0 H61 DA B 6 -0.109 2.028 -5.924 1.00 0.36 H new ATOM 0 H62 DA B 6 -1.850 1.930 -5.642 1.00 0.36 H new ATOM 0 H2 DA B 6 1.708 3.249 -2.007 1.00 0.37 H new ATOM 508 P DG B 7 -4.329 6.562 2.709 1.00 0.35 P ATOM 509 OP1 DG B 7 -4.045 7.112 4.053 1.00 0.41 O ATOM 510 OP2 DG B 7 -5.565 6.948 1.992 1.00 0.44 O ATOM 511 O5' DG B 7 -3.063 6.890 1.770 1.00 0.33 O ATOM 512 C5' DG B 7 -1.752 6.605 2.276 1.00 0.33 C ATOM 513 C4' DG B 7 -0.644 6.802 1.269 1.00 0.30 C ATOM 514 O4' DG B 7 -0.824 5.921 0.151 1.00 0.30 O ATOM 515 C3' DG B 7 -0.629 8.198 0.651 1.00 0.30 C ATOM 516 O3' DG B 7 0.226 9.109 1.353 1.00 0.35 O ATOM 517 C2' DG B 7 -0.100 7.927 -0.713 1.00 0.27 C ATOM 518 C1' DG B 7 0.009 6.441 -0.887 1.00 0.29 C ATOM 519 N9 DG B 7 -0.598 6.131 -2.186 1.00 0.29 N ATOM 520 C8 DG B 7 -1.920 5.994 -2.392 1.00 0.30 C ATOM 521 N7 DG B 7 -2.254 5.705 -3.622 1.00 0.31 N ATOM 522 C5 DG B 7 -1.023 5.652 -4.281 1.00 0.29 C ATOM 523 C6 DG B 7 -0.708 5.381 -5.649 1.00 0.30 C ATOM 524 O6 DG B 7 -1.433 5.109 -6.601 1.00 0.35 O ATOM 525 N1 DG B 7 0.647 5.436 -5.875 1.00 0.28 N ATOM 526 C2 DG B 7 1.594 5.711 -4.925 1.00 0.27 C ATOM 527 N2 DG B 7 2.842 5.739 -5.338 1.00 0.30 N ATOM 528 N3 DG B 7 1.323 5.961 -3.649 1.00 0.27 N ATOM 529 C4 DG B 7 -0.003 5.916 -3.400 1.00 0.28 C ATOM 0 H5' DG B 7 -1.727 5.574 2.630 1.00 0.33 H new ATOM 0 H5'' DG B 7 -1.561 7.243 3.139 1.00 0.33 H new ATOM 0 H4' DG B 7 0.274 6.618 1.828 1.00 0.30 H new ATOM 0 H3' DG B 7 -1.608 8.677 0.674 1.00 0.30 H new ATOM 0 H2' DG B 7 -0.762 8.351 -1.468 1.00 0.27 H new ATOM 0 H2'' DG B 7 0.875 8.397 -0.843 1.00 0.27 H new ATOM 0 H1' DG B 7 1.024 6.047 -0.846 1.00 0.29 H new ATOM 0 H8 DG B 7 -2.648 6.113 -1.603 1.00 0.30 H new ATOM 0 H1 DG B 7 0.972 5.258 -6.825 1.00 0.28 H new ATOM 0 H21 DG B 7 3.593 5.938 -4.678 1.00 0.30 H new ATOM 0 H22 DG B 7 3.059 5.561 -6.319 1.00 0.30 H new ATOM 541 P DC B 8 0.298 10.674 0.943 1.00 0.37 P ATOM 542 OP1 DC B 8 1.083 11.371 1.989 1.00 0.45 O ATOM 543 OP2 DC B 8 -1.071 11.138 0.627 1.00 0.42 O ATOM 544 O5' DC B 8 1.161 10.670 -0.428 1.00 0.35 O ATOM 545 C5' DC B 8 2.595 10.569 -0.423 1.00 0.35 C ATOM 546 C4' DC B 8 3.196 10.509 -1.827 1.00 0.31 C ATOM 547 O4' DC B 8 2.770 9.349 -2.555 1.00 0.29 O ATOM 548 C3' DC B 8 2.823 11.687 -2.736 1.00 0.34 C ATOM 549 O3' DC B 8 3.616 12.852 -2.437 1.00 0.44 O ATOM 550 C2' DC B 8 3.238 11.084 -4.056 1.00 0.29 C ATOM 551 C1' DC B 8 2.832 9.633 -3.963 1.00 0.28 C ATOM 552 N1 DC B 8 1.569 9.284 -4.656 1.00 0.27 N ATOM 553 C2 DC B 8 1.597 9.118 -6.030 1.00 0.29 C ATOM 554 O2 DC B 8 2.625 9.292 -6.675 1.00 0.32 O ATOM 555 N3 DC B 8 0.452 8.763 -6.666 1.00 0.31 N ATOM 556 C4 DC B 8 -0.679 8.574 -5.986 1.00 0.31 C ATOM 557 N4 DC B 8 -1.769 8.215 -6.655 1.00 0.36 N ATOM 558 C5 DC B 8 -0.723 8.744 -4.568 1.00 0.30 C ATOM 559 C6 DC B 8 0.415 9.099 -3.957 1.00 0.28 C ATOM 0 H5' DC B 8 2.889 9.677 0.130 1.00 0.35 H new ATOM 0 H5'' DC B 8 3.012 11.425 0.108 1.00 0.35 H new ATOM 0 H4' DC B 8 4.266 10.511 -1.619 1.00 0.31 H new ATOM 0 H3' DC B 8 1.792 12.033 -2.664 1.00 0.34 H new ATOM 0 H2' DC B 8 2.743 11.580 -4.891 1.00 0.29 H new ATOM 0 H2'' DC B 8 4.311 11.185 -4.217 1.00 0.29 H new ATOM 0 H1' DC B 8 3.562 9.017 -4.488 1.00 0.28 H new ATOM 0 H41 DC B 8 -2.646 8.064 -6.157 1.00 0.36 H new ATOM 0 H42 DC B 8 -1.728 8.090 -7.666 1.00 0.36 H new ATOM 0 H5 DC B 8 -1.636 8.593 -4.012 1.00 0.30 H new ATOM 0 H6 DC B 8 0.417 9.242 -2.886 1.00 0.28 H new ATOM 571 P DT B 9 3.587 14.156 -3.400 1.00 0.53 P ATOM 572 OP1 DT B 9 4.488 15.196 -2.855 1.00 0.64 O ATOM 573 OP2 DT B 9 2.176 14.483 -3.708 1.00 0.59 O ATOM 574 O5' DT B 9 4.264 13.588 -4.749 1.00 0.48 O ATOM 575 C5' DT B 9 5.667 13.281 -4.886 1.00 0.46 C ATOM 576 C4' DT B 9 6.081 13.484 -6.337 1.00 0.44 C ATOM 577 O4' DT B 9 5.413 12.576 -7.229 1.00 0.41 O ATOM 578 C3' DT B 9 5.804 14.892 -6.789 1.00 0.55 C ATOM 579 O3' DT B 9 7.022 15.355 -7.384 1.00 0.59 O ATOM 580 C2' DT B 9 4.660 14.737 -7.719 1.00 0.57 C ATOM 581 C1' DT B 9 4.737 13.321 -8.243 1.00 0.47 C ATOM 582 N1 DT B 9 3.355 12.800 -8.309 1.00 0.48 N ATOM 583 C2 DT B 9 2.862 12.279 -9.488 1.00 0.50 C ATOM 584 O2 DT B 9 3.508 12.198 -10.527 1.00 0.47 O ATOM 585 N3 DT B 9 1.563 11.839 -9.437 1.00 0.55 N ATOM 586 C4 DT B 9 0.726 11.870 -8.345 1.00 0.59 C ATOM 587 O4 DT B 9 -0.412 11.430 -8.458 1.00 0.63 O ATOM 588 C5 DT B 9 1.322 12.432 -7.156 1.00 0.57 C ATOM 589 C7 DT B 9 0.527 12.569 -5.855 1.00 0.62 C ATOM 590 C6 DT B 9 2.586 12.862 -7.182 1.00 0.51 C ATOM 0 H5' DT B 9 5.859 12.252 -4.581 1.00 0.46 H new ATOM 0 H5'' DT B 9 6.258 13.923 -4.233 1.00 0.46 H new ATOM 0 H4' DT B 9 7.152 13.285 -6.374 1.00 0.44 H new ATOM 0 H3' DT B 9 5.535 15.626 -6.029 1.00 0.55 H new ATOM 0 H2' DT B 9 3.714 14.912 -7.206 1.00 0.57 H new ATOM 0 H2'' DT B 9 4.719 15.458 -8.534 1.00 0.57 H new ATOM 0 H1' DT B 9 5.229 13.261 -9.214 1.00 0.47 H new ATOM 0 H3 DT B 9 1.178 11.449 -10.297 1.00 0.55 H new ATOM 0 H71 DT B 9 -0.528 12.713 -6.087 1.00 0.62 H new ATOM 0 H72 DT B 9 0.647 11.665 -5.258 1.00 0.62 H new ATOM 0 H73 DT B 9 0.895 13.427 -5.292 1.00 0.62 H new ATOM 0 H6 DT B 9 3.015 13.273 -6.280 1.00 0.51 H new ATOM 603 P DA B 10 7.216 16.829 -7.995 1.00 0.78 P ATOM 604 OP1 DA B 10 8.628 16.978 -8.411 1.00 0.85 O ATOM 605 OP2 DA B 10 6.606 17.814 -7.072 1.00 0.90 O ATOM 606 O5' DA B 10 6.296 16.748 -9.317 1.00 0.79 O ATOM 607 C5' DA B 10 6.611 15.905 -10.439 1.00 0.68 C ATOM 608 C4' DA B 10 5.437 15.839 -11.403 1.00 0.69 C ATOM 609 O4' DA B 10 4.305 15.257 -10.765 1.00 0.71 O ATOM 610 C3' DA B 10 4.949 17.235 -11.814 1.00 0.83 C ATOM 611 O3' DA B 10 5.586 17.743 -12.989 1.00 0.87 O ATOM 612 C2' DA B 10 3.444 17.065 -11.942 1.00 0.85 C ATOM 613 C1' DA B 10 3.208 15.606 -11.603 1.00 0.78 C ATOM 614 N9 DA B 10 2.014 15.334 -10.820 1.00 0.90 N ATOM 615 C8 DA B 10 1.795 15.669 -9.528 1.00 0.99 C ATOM 616 N7 DA B 10 0.639 15.270 -9.063 1.00 1.09 N ATOM 617 C5 DA B 10 0.063 14.620 -10.159 1.00 1.06 C ATOM 618 C6 DA B 10 -1.162 13.961 -10.358 1.00 1.15 C ATOM 619 N6 DA B 10 -2.107 13.816 -9.435 1.00 1.30 N ATOM 620 N1 DA B 10 -1.382 13.443 -11.571 1.00 1.11 N ATOM 621 C2 DA B 10 -0.470 13.558 -12.528 1.00 1.01 C ATOM 622 N3 DA B 10 0.707 14.147 -12.464 1.00 0.91 N ATOM 623 C4 DA B 10 0.907 14.661 -11.232 1.00 0.95 C ATOM 0 H5' DA B 10 6.859 14.903 -10.090 1.00 0.68 H new ATOM 0 H5'' DA B 10 7.491 16.290 -10.954 1.00 0.68 H new ATOM 0 H4' DA B 10 5.795 15.267 -12.259 1.00 0.69 H new ATOM 0 H3' DA B 10 5.209 17.999 -11.082 1.00 0.83 H new ATOM 0 H2' DA B 10 2.909 17.725 -11.259 1.00 0.85 H new ATOM 0 H2'' DA B 10 3.100 17.301 -12.949 1.00 0.85 H new ATOM 0 HO3' DA B 10 5.229 18.632 -13.196 1.00 0.87 H new ATOM 0 H1' DA B 10 3.100 15.057 -12.539 1.00 0.78 H new ATOM 0 H8 DA B 10 2.511 16.217 -8.933 1.00 0.99 H new ATOM 0 H61 DA B 10 -2.970 13.322 -9.662 1.00 1.30 H new ATOM 0 H62 DA B 10 -1.969 14.198 -8.500 1.00 1.30 H new ATOM 0 H2 DA B 10 -0.724 13.113 -13.479 1.00 1.01 H new TER 636 DA B 10 HETATM 637 C1 DDA A 11 6.526 5.659 -19.270 1.00 1.08 C HETATM 638 C2 DDA A 11 5.386 5.869 -20.270 1.00 1.23 C HETATM 639 C3 DDA A 11 4.468 4.654 -20.343 1.00 1.39 C HETATM 640 C4 DDA A 11 5.343 3.450 -20.672 1.00 1.51 C HETATM 641 C5 DDA A 11 6.438 3.267 -19.611 1.00 1.40 C HETATM 642 C6 DDA A 11 7.350 2.068 -19.919 1.00 1.59 C HETATM 643 O5 DDA A 11 7.240 4.456 -19.579 1.00 1.22 O HETATM 644 O1 DDA A 11 7.395 6.789 -19.299 1.00 0.97 O HETATM 645 O3 DDA A 11 3.511 4.832 -21.369 1.00 1.59 O HETATM 646 O4 DDA A 11 4.554 2.282 -20.820 1.00 1.71 O HETATM 0 HO4 DDA A 11 3.666 2.527 -21.153 1.00 1.71 H new HETATM 0 HO3 DDA A 11 2.677 5.174 -20.983 1.00 1.59 H new HETATM 0 H63 DDA A 11 6.754 1.156 -19.951 1.00 1.59 H new HETATM 0 H62 DDA A 11 7.835 2.218 -20.884 1.00 1.59 H new HETATM 0 H61 DDA A 11 8.109 1.979 -19.141 1.00 1.59 H new HETATM 0 H5 DDA A 11 5.954 3.081 -18.652 1.00 1.40 H new HETATM 0 H4 DDA A 11 5.839 3.632 -21.625 1.00 1.51 H new HETATM 0 H3 DDA A 11 3.940 4.514 -19.400 1.00 1.39 H new HETATM 0 H22 DDA A 11 4.806 6.746 -19.982 1.00 1.23 H new HETATM 0 H21 DDA A 11 5.801 6.071 -21.257 1.00 1.23 H new HETATM 0 H1 DDA A 11 6.116 5.557 -18.265 1.00 1.08 H new HETATM 658 C1 DDA A 12 7.839 8.437 -15.880 1.00 0.56 C HETATM 659 C2 DDA A 12 7.146 7.824 -17.088 1.00 0.73 C HETATM 660 C3 DDA A 12 8.074 7.113 -18.074 1.00 0.79 C HETATM 661 C4 DDA A 12 9.143 8.124 -18.403 1.00 0.73 C HETATM 662 C5 DDA A 12 9.852 8.556 -17.117 1.00 0.58 C HETATM 663 C6 DDA A 12 11.129 9.327 -17.326 1.00 0.54 C HETATM 664 O5 DDA A 12 8.921 9.271 -16.302 1.00 0.53 O HETATM 665 O1 DDA A 12 6.889 9.114 -15.048 1.00 0.52 O HETATM 666 O4 DDA A 12 10.040 7.625 -19.379 1.00 0.83 O HETATM 0 HO4 DDA A 12 9.581 6.963 -19.937 1.00 0.83 H new HETATM 0 H63 DDA A 12 11.837 8.714 -17.883 1.00 0.54 H new HETATM 0 H62 DDA A 12 10.917 10.237 -17.887 1.00 0.54 H new HETATM 0 H61 DDA A 12 11.558 9.589 -16.359 1.00 0.54 H new HETATM 0 H5 DDA A 12 10.183 7.650 -16.610 1.00 0.58 H new HETATM 0 H4 DDA A 12 8.681 9.007 -18.843 1.00 0.73 H new HETATM 0 H22 DDA A 12 6.399 7.112 -16.737 1.00 0.73 H new HETATM 0 H21 DDA A 12 6.611 8.611 -17.619 1.00 0.73 H new HETATM 0 H1 DDA A 12 8.276 7.649 -15.266 1.00 0.56 H new HETATM 677 C1 DDA A 14A 11.256 7.411 -5.277 1.00 0.44 C HETATM 678 C2 DDA A 14A 11.097 6.494 -4.070 1.00 0.52 C HETATM 679 C3 DDA A 14A 11.104 7.323 -2.798 1.00 0.54 C HETATM 680 C4 DDA A 14A 12.289 8.289 -2.700 1.00 0.57 C HETATM 681 C5 DDA A 14A 12.265 9.139 -3.977 1.00 0.48 C HETATM 682 C6 DDA A 14A 13.327 10.202 -4.118 1.00 0.54 C HETATM 683 O5 DDA A 14A 12.377 8.270 -5.098 1.00 0.46 O HETATM 684 O1 DDA A 14A 11.371 6.671 -6.490 1.00 0.43 O HETATM 685 O3 DDA A 14A 11.068 6.440 -1.677 1.00 0.60 O HETATM 686 O4 DDA A 14A 12.154 9.096 -1.546 1.00 0.62 O HETATM 0 HO4 DDA A 14A 11.614 8.624 -0.878 1.00 0.62 H new HETATM 0 H63 DDA A 14A 13.243 10.912 -3.295 1.00 0.54 H new HETATM 0 H62 DDA A 14A 14.313 9.737 -4.097 1.00 0.54 H new HETATM 0 H61 DDA A 14A 13.194 10.726 -5.064 1.00 0.54 H new HETATM 0 H5 DDA A 14A 11.322 9.683 -3.919 1.00 0.48 H new HETATM 0 H4 DDA A 14A 13.238 7.759 -2.614 1.00 0.57 H new HETATM 0 H3 DDA A 14A 10.219 7.959 -2.812 1.00 0.54 H new HETATM 0 H22 DDA A 14A 10.165 5.934 -4.146 1.00 0.52 H new HETATM 0 H21 DDA A 14A 11.906 5.764 -4.045 1.00 0.52 H new HETATM 0 H1 DDA A 14A 10.356 8.021 -5.356 1.00 0.44 H new HETATM 697 C1 DDL A 14B 9.902 6.548 -0.869 1.00 0.53 C HETATM 698 C2 DDL A 14B 9.349 5.179 -0.526 1.00 0.51 C HETATM 699 C3 DDL A 14B 8.092 5.329 0.281 1.00 0.45 C HETATM 700 C4 DDL A 14B 8.346 6.191 1.497 1.00 0.50 C HETATM 701 C5 DDL A 14B 9.011 7.505 1.111 1.00 0.53 C HETATM 702 C6 DDL A 14B 9.376 8.323 2.354 1.00 0.61 C HETATM 703 O5 DDL A 14B 10.178 7.271 0.328 1.00 0.58 O HETATM 704 O3 DDL A 14B 7.678 4.000 0.637 1.00 0.47 O HETATM 705 O4 DDL A 14B 9.108 5.494 2.470 1.00 0.58 O HETATM 0 HO4 DDL A 14B 9.029 4.529 2.317 1.00 0.58 H new HETATM 0 H63 DDL A 14B 8.473 8.543 2.923 1.00 0.61 H new HETATM 0 H62 DDL A 14B 10.066 7.752 2.975 1.00 0.61 H new HETATM 0 H61 DDL A 14B 9.849 9.256 2.049 1.00 0.61 H new HETATM 0 H5 DDL A 14B 8.296 8.074 0.517 1.00 0.53 H new HETATM 0 H4 DDL A 14B 7.380 6.429 1.943 1.00 0.50 H new HETATM 0 H3 DDL A 14B 7.305 5.828 -0.284 1.00 0.45 H new HETATM 0 H22 DDL A 14B 9.142 4.621 -1.439 1.00 0.51 H new HETATM 0 H21 DDL A 14B 10.088 4.608 0.036 1.00 0.51 H new HETATM 716 C1 DDA B 15 0.813 9.396 4.698 1.00 0.46 C HETATM 717 C2 DDA B 15 -0.242 8.559 5.424 1.00 0.54 C HETATM 718 C3 DDA B 15 -1.612 9.223 5.360 1.00 0.57 C HETATM 719 C4 DDA B 15 -1.468 10.595 6.005 1.00 0.59 C HETATM 720 C5 DDA B 15 -0.413 11.409 5.237 1.00 0.53 C HETATM 721 C6 DDA B 15 -0.219 12.817 5.806 1.00 0.62 C HETATM 722 O5 DDA B 15 0.843 10.711 5.268 1.00 0.48 O HETATM 723 O1 DDA B 15 2.090 8.765 4.808 1.00 0.46 O HETATM 724 O3 DDA B 15 -2.569 8.448 6.056 1.00 0.69 O HETATM 725 O4 DDA B 15 -2.716 11.263 6.041 1.00 0.66 O HETATM 0 HO4 DDA B 15 -3.440 10.603 6.051 1.00 0.66 H new HETATM 0 HO3 DDA B 15 -3.110 7.943 5.414 1.00 0.69 H new HETATM 0 H63 DDA B 15 -1.161 13.363 5.756 1.00 0.62 H new HETATM 0 H62 DDA B 15 0.105 12.748 6.844 1.00 0.62 H new HETATM 0 H61 DDA B 15 0.537 13.344 5.224 1.00 0.62 H new HETATM 0 H5 DDA B 15 -0.774 11.518 4.214 1.00 0.53 H new HETATM 0 H4 DDA B 15 -1.135 10.480 7.036 1.00 0.59 H new HETATM 0 H3 DDA B 15 -1.953 9.312 4.329 1.00 0.57 H new HETATM 0 H22 DDA B 15 -0.295 7.567 4.976 1.00 0.54 H new HETATM 0 H21 DDA B 15 0.051 8.423 6.465 1.00 0.54 H new HETATM 0 H1 DDA B 15 0.562 9.476 3.640 1.00 0.46 H new HETATM 737 C1 DDA B 16 4.469 8.493 1.886 1.00 0.39 C HETATM 738 C2 DDA B 16 3.281 8.138 2.774 1.00 0.39 C HETATM 739 C3 DDA B 16 3.084 9.193 3.863 1.00 0.44 C HETATM 740 C4 DDA B 16 4.394 9.400 4.618 1.00 0.50 C HETATM 741 C5 DDA B 16 5.527 9.723 3.644 1.00 0.52 C HETATM 742 C6 DDA B 16 6.846 9.951 4.362 1.00 0.65 C HETATM 743 O5 DDA B 16 5.645 8.645 2.696 1.00 0.46 O HETATM 744 O1 DDA B 16 4.571 7.473 0.881 1.00 0.33 O HETATM 745 O4 DDA B 16 4.241 10.421 5.587 1.00 0.58 O HETATM 0 HO4 DDA B 16 3.314 10.435 5.904 1.00 0.58 H new HETATM 0 H63 DDA B 16 6.744 10.787 5.054 1.00 0.65 H new HETATM 0 H62 DDA B 16 7.119 9.053 4.916 1.00 0.65 H new HETATM 0 H61 DDA B 16 7.623 10.177 3.632 1.00 0.65 H new HETATM 0 H5 DDA B 16 5.287 10.652 3.126 1.00 0.52 H new HETATM 0 H4 DDA B 16 4.655 8.477 5.136 1.00 0.50 H new HETATM 0 H22 DDA B 16 2.378 8.061 2.168 1.00 0.39 H new HETATM 0 H21 DDA B 16 3.442 7.162 3.232 1.00 0.39 H new HETATM 0 H1 DDA B 16 4.342 9.448 1.377 1.00 0.39 H new HETATM 756 C1 DDA B 18A 9.760 12.267 -7.335 1.00 0.31 C HETATM 757 C2 DDA B 18A 9.184 12.941 -8.578 1.00 0.30 C HETATM 758 C3 DDA B 18A 9.779 12.289 -9.842 1.00 0.27 C HETATM 759 C4 DDA B 18A 11.300 12.384 -9.675 1.00 0.30 C HETATM 760 C5 DDA B 18A 11.796 11.706 -8.389 1.00 0.32 C HETATM 761 C6 DDA B 18A 13.271 11.775 -8.088 1.00 0.40 C HETATM 762 O5 DDA B 18A 11.167 12.355 -7.300 1.00 0.34 O HETATM 763 O1 DDA B 18A 9.191 12.692 -6.108 1.00 0.36 O HETATM 764 O3 DDA B 18A 9.311 12.999 -11.010 1.00 0.30 O HETATM 765 O4 DDA B 18A 12.002 11.883 -10.795 1.00 0.33 O HETATM 0 HO4 DDA B 18A 11.515 12.111 -11.615 1.00 0.33 H new HETATM 0 H63 DDA B 18A 13.830 11.302 -8.896 1.00 0.40 H new HETATM 0 H62 DDA B 18A 13.576 12.818 -7.998 1.00 0.40 H new HETATM 0 H61 DDA B 18A 13.476 11.255 -7.152 1.00 0.40 H new HETATM 0 H5 DDA B 18A 11.560 10.652 -8.536 1.00 0.32 H new HETATM 0 H4 DDA B 18A 11.514 13.450 -9.595 1.00 0.30 H new HETATM 0 H3 DDA B 18A 9.478 11.249 -9.970 1.00 0.27 H new HETATM 0 H22 DDA B 18A 8.098 12.847 -8.585 1.00 0.30 H new HETATM 0 H21 DDA B 18A 9.412 14.007 -8.565 1.00 0.30 H new HETATM 0 H1 DDA B 18A 9.474 11.220 -7.434 1.00 0.31 H new HETATM 776 C1 DDL B 18B 9.161 12.241 -12.228 1.00 0.30 C HETATM 777 C2 DDL B 18B 8.045 12.864 -13.088 1.00 0.37 C HETATM 778 C3 DDL B 18B 7.898 12.216 -14.456 1.00 0.42 C HETATM 779 C4 DDL B 18B 9.232 12.245 -15.134 1.00 0.40 C HETATM 780 C5 DDL B 18B 10.293 11.576 -14.273 1.00 0.34 C HETATM 781 C6 DDL B 18B 11.634 11.622 -14.987 1.00 0.35 C HETATM 782 O5 DDL B 18B 10.382 12.209 -12.984 1.00 0.31 O HETATM 783 O3 DDL B 18B 6.922 12.929 -15.238 1.00 0.53 O HETATM 784 O4 DDL B 18B 9.605 13.568 -15.489 1.00 0.45 O HETATM 0 HO4 DDL B 18B 8.801 14.093 -15.685 1.00 0.45 H new HETATM 0 H63 DDL B 18B 11.557 11.097 -15.939 1.00 0.35 H new HETATM 0 H62 DDL B 18B 11.915 12.660 -15.166 1.00 0.35 H new HETATM 0 H61 DDL B 18B 12.392 11.142 -14.368 1.00 0.35 H new HETATM 0 H5 DDL B 18B 10.011 10.535 -14.113 1.00 0.34 H new HETATM 0 H4 DDL B 18B 9.149 11.676 -16.060 1.00 0.40 H new HETATM 0 H3 DDL B 18B 7.558 11.186 -14.350 1.00 0.42 H new HETATM 0 H22 DDL B 18B 7.098 12.784 -12.554 1.00 0.37 H new HETATM 0 H21 DDL B 18B 8.249 13.927 -13.218 1.00 0.37 H new HETATM 795 C1 DDA B 21 -13.292 -4.766 -12.179 1.00 1.08 C HETATM 796 C2 DDA B 21 -12.962 -5.108 -13.634 1.00 1.25 C HETATM 797 C3 DDA B 21 -12.306 -3.935 -14.354 1.00 1.40 C HETATM 798 C4 DDA B 21 -13.244 -2.742 -14.215 1.00 1.51 C HETATM 799 C5 DDA B 21 -13.501 -2.423 -12.735 1.00 1.38 C HETATM 800 C6 DDA B 21 -14.457 -1.231 -12.556 1.00 1.57 C HETATM 801 O5 DDA B 21 -14.089 -3.577 -12.118 1.00 1.21 O HETATM 802 O1 DDA B 21 -13.973 -5.866 -11.576 1.00 0.96 O HETATM 803 O3 DDA B 21 -12.141 -4.243 -15.725 1.00 1.58 O HETATM 804 O4 DDA B 21 -12.734 -1.621 -14.914 1.00 1.71 O HETATM 0 HO4 DDA B 21 -12.197 -1.926 -15.674 1.00 1.71 H new HETATM 0 HO3 DDA B 21 -11.230 -4.570 -15.880 1.00 1.58 H new HETATM 0 H63 DDA B 21 -14.026 -0.346 -13.023 1.00 1.57 H new HETATM 0 H62 DDA B 21 -15.414 -1.459 -13.024 1.00 1.57 H new HETATM 0 H61 DDA B 21 -14.609 -1.043 -11.493 1.00 1.57 H new HETATM 0 H5 DDA B 21 -12.548 -2.161 -12.275 1.00 1.38 H new HETATM 0 H4 DDA B 21 -14.203 -2.999 -14.665 1.00 1.51 H new HETATM 0 H3 DDA B 21 -11.327 -3.720 -13.927 1.00 1.40 H new HETATM 0 H22 DDA B 21 -12.297 -5.971 -13.663 1.00 1.25 H new HETATM 0 H21 DDA B 21 -13.875 -5.392 -14.157 1.00 1.25 H new HETATM 0 H1 DDA B 21 -12.368 -4.581 -11.631 1.00 1.08 H new HETATM 816 C1 DDA B 22 -12.249 -7.159 -8.420 1.00 0.56 C HETATM 817 C2 DDA B 22 -12.428 -6.689 -9.858 1.00 0.74 C HETATM 818 C3 DDA B 22 -13.782 -6.048 -10.164 1.00 0.80 C HETATM 819 C4 DDA B 22 -14.804 -7.051 -9.694 1.00 0.72 C HETATM 820 C5 DDA B 22 -14.599 -7.333 -8.204 1.00 0.55 C HETATM 821 C6 DDA B 22 -15.724 -8.079 -7.539 1.00 0.52 C HETATM 822 O5 DDA B 22 -13.343 -7.994 -8.034 1.00 0.53 O HETATM 823 O1 DDA B 22 -10.969 -7.782 -8.253 1.00 0.54 O HETATM 824 O4 DDA B 22 -16.121 -6.622 -9.990 1.00 0.85 O HETATM 0 HO4 DDA B 22 -16.129 -6.167 -10.858 1.00 0.85 H new HETATM 0 H63 DDA B 22 -16.644 -7.501 -7.624 1.00 0.52 H new HETATM 0 H62 DDA B 22 -15.857 -9.046 -8.025 1.00 0.52 H new HETATM 0 H61 DDA B 22 -15.487 -8.231 -6.486 1.00 0.52 H new HETATM 0 H5 DDA B 22 -14.595 -6.371 -7.691 1.00 0.55 H new HETATM 0 H4 DDA B 22 -14.663 -7.987 -10.235 1.00 0.72 H new HETATM 0 H22 DDA B 22 -11.642 -5.970 -10.090 1.00 0.74 H new HETATM 0 H21 DDA B 22 -12.288 -7.541 -10.523 1.00 0.74 H new HETATM 0 H1 DDA B 22 -12.261 -6.302 -7.747 1.00 0.56 H new HETATM 835 C1 DDA B 24A -8.740 -4.999 1.980 1.00 0.43 C HETATM 836 C2 DDA B 24A -7.924 -3.974 2.762 1.00 0.49 C HETATM 837 C3 DDA B 24A -7.150 -4.677 3.863 1.00 0.50 C HETATM 838 C4 DDA B 24A -8.015 -5.590 4.738 1.00 0.55 C HETATM 839 C5 DDA B 24A -8.726 -6.561 3.786 1.00 0.49 C HETATM 840 C6 DDA B 24A -9.628 -7.598 4.407 1.00 0.56 C HETATM 841 O5 DDA B 24A -9.508 -5.801 2.872 1.00 0.46 O HETATM 842 O1 DDA B 24A -9.576 -4.377 1.008 1.00 0.42 O HETATM 843 O3 DDA B 24A -6.485 -3.691 4.651 1.00 0.57 O HETATM 844 O4 DDA B 24A -7.194 -6.286 5.658 1.00 0.61 O HETATM 0 HO4 DDA B 24A -6.393 -5.754 5.849 1.00 0.61 H new HETATM 0 H63 DDA B 24A -9.048 -8.226 5.084 1.00 0.56 H new HETATM 0 H62 DDA B 24A -10.423 -7.102 4.964 1.00 0.56 H new HETATM 0 H61 DDA B 24A -10.065 -8.216 3.623 1.00 0.56 H new HETATM 0 H5 DDA B 24A -7.917 -7.128 3.325 1.00 0.49 H new HETATM 0 H4 DDA B 24A -8.744 -5.024 5.318 1.00 0.55 H new HETATM 0 H3 DDA B 24A -6.427 -5.341 3.389 1.00 0.50 H new HETATM 0 H22 DDA B 24A -7.237 -3.455 2.094 1.00 0.49 H new HETATM 0 H21 DDA B 24A -8.583 -3.219 3.191 1.00 0.49 H new HETATM 0 H1 DDA B 24A -8.043 -5.642 1.442 1.00 0.43 H new HETATM 855 C1 DDL B 24B -5.063 -3.757 4.616 1.00 0.52 C HETATM 856 C2 DDL B 24B -4.460 -2.378 4.430 1.00 0.50 C HETATM 857 C3 DDL B 24B -2.965 -2.490 4.343 1.00 0.44 C HETATM 858 C4 DDL B 24B -2.420 -3.220 5.549 1.00 0.48 C HETATM 859 C5 DDL B 24B -3.141 -4.545 5.763 1.00 0.52 C HETATM 860 C6 DDL B 24B -2.672 -5.226 7.051 1.00 0.62 C HETATM 861 O5 DDL B 24B -4.553 -4.351 5.807 1.00 0.56 O HETATM 862 O3 DDL B 24B -2.463 -1.146 4.252 1.00 0.46 O HETATM 863 O4 DDL B 24B -2.478 -2.410 6.711 1.00 0.58 O HETATM 0 HO4 DDL B 24B -2.536 -1.467 6.450 1.00 0.58 H new HETATM 0 H63 DDL B 24B -1.601 -5.418 6.992 1.00 0.62 H new HETATM 0 H62 DDL B 24B -2.878 -4.576 7.902 1.00 0.62 H new HETATM 0 H61 DDL B 24B -3.203 -6.169 7.178 1.00 0.62 H new HETATM 0 H5 DDL B 24B -2.898 -5.191 4.919 1.00 0.52 H new HETATM 0 H4 DDL B 24B -1.371 -3.442 5.354 1.00 0.48 H new HETATM 0 H3 DDL B 24B -2.651 -3.068 3.473 1.00 0.44 H new HETATM 0 H22 DDL B 24B -4.854 -1.917 3.524 1.00 0.50 H new HETATM 0 H21 DDL B 24B -4.739 -1.733 5.263 1.00 0.50 H new HETATM 874 C1 DDA A 25 5.641 -6.339 3.951 1.00 0.47 C HETATM 875 C2 DDA A 25 6.892 -5.470 3.822 1.00 0.55 C HETATM 876 C3 DDA A 25 7.978 -6.181 3.024 1.00 0.60 C HETATM 877 C4 DDA A 25 8.289 -7.479 3.757 1.00 0.60 C HETATM 878 C5 DDA A 25 7.011 -8.329 3.849 1.00 0.55 C HETATM 879 C6 DDA A 25 7.237 -9.668 4.555 1.00 0.61 C HETATM 880 O5 DDA A 25 5.997 -7.593 4.550 1.00 0.50 O HETATM 881 O1 DDA A 25 4.658 -5.661 4.735 1.00 0.47 O HETATM 882 O3 DDA A 25 9.136 -5.373 2.937 1.00 0.70 O HETATM 883 O4 DDA A 25 9.336 -8.180 3.110 1.00 0.67 O HETATM 0 HO4 DDA A 25 9.885 -7.549 2.599 1.00 0.67 H new HETATM 0 HO3 DDA A 25 9.183 -4.964 2.048 1.00 0.70 H new HETATM 0 H63 DDA A 25 7.982 -10.246 4.008 1.00 0.61 H new HETATM 0 H62 DDA A 25 7.590 -9.489 5.570 1.00 0.61 H new HETATM 0 H61 DDA A 25 6.300 -10.224 4.590 1.00 0.61 H new HETATM 0 H5 DDA A 25 6.698 -8.548 2.828 1.00 0.55 H new HETATM 0 H4 DDA A 25 8.630 -7.254 4.768 1.00 0.60 H new HETATM 0 H3 DDA A 25 7.644 -6.381 2.006 1.00 0.60 H new HETATM 0 H22 DDA A 25 6.636 -4.529 3.334 1.00 0.55 H new HETATM 0 H21 DDA A 25 7.270 -5.222 4.814 1.00 0.55 H new HETATM 0 H1 DDA A 25 5.218 -6.528 2.964 1.00 0.47 H new HETATM 895 C1 DDA A 26 1.002 -5.597 3.785 1.00 0.37 C HETATM 896 C2 DDA A 26 2.474 -5.196 3.755 1.00 0.38 C HETATM 897 C3 DDA A 26 3.312 -6.147 4.610 1.00 0.44 C HETATM 898 C4 DDA A 26 2.712 -6.237 6.012 1.00 0.51 C HETATM 899 C5 DDA A 26 1.234 -6.617 5.935 1.00 0.52 C HETATM 900 C6 DDA A 26 0.606 -6.731 7.315 1.00 0.66 C HETATM 901 O5 DDA A 26 0.543 -5.633 5.143 1.00 0.45 O HETATM 902 O1 DDA A 26 0.292 -4.676 2.941 1.00 0.35 O HETATM 903 O4 DDA A 26 3.443 -7.165 6.794 1.00 0.58 O HETATM 0 HO4 DDA A 26 4.387 -7.143 6.530 1.00 0.58 H new HETATM 0 H63 DDA A 26 1.126 -7.498 7.889 1.00 0.66 H new HETATM 0 H62 DDA A 26 0.686 -5.774 7.831 1.00 0.66 H new HETATM 0 H61 DDA A 26 -0.445 -7.003 7.215 1.00 0.66 H new HETATM 0 H5 DDA A 26 1.149 -7.598 5.468 1.00 0.52 H new HETATM 0 H4 DDA A 26 2.780 -5.261 6.493 1.00 0.51 H new HETATM 0 H22 DDA A 26 2.838 -5.207 2.728 1.00 0.38 H new HETATM 0 H21 DDA A 26 2.585 -4.176 4.122 1.00 0.38 H new HETATM 0 H1 DDA A 26 0.830 -6.601 3.397 1.00 0.37 H new HETATM 914 C1 DDA A 28A -8.603 -10.078 -0.081 1.00 0.32 C HETATM 915 C2 DDA A 28A -8.855 -10.888 -1.351 1.00 0.31 C HETATM 916 C3 DDA A 28A -10.105 -10.343 -2.070 1.00 0.26 C HETATM 917 C4 DDA A 28A -11.226 -10.373 -1.027 1.00 0.29 C HETATM 918 C5 DDA A 28A -10.884 -9.557 0.229 1.00 0.33 C HETATM 919 C6 DDA A 28A -11.890 -9.549 1.353 1.00 0.40 C HETATM 920 O5 DDA A 28A -9.711 -10.117 0.790 1.00 0.37 O HETATM 921 O1 DDA A 28A -7.404 -10.399 0.602 1.00 0.39 O HETATM 922 O3 DDA A 28A -10.398 -11.178 -3.214 1.00 0.30 O HETATM 923 O4 DDA A 28A -12.471 -9.960 -1.552 1.00 0.34 O HETATM 0 HO4 DDA A 28A -12.527 -10.211 -2.498 1.00 0.34 H new HETATM 0 H63 DDA A 28A -12.834 -9.140 0.993 1.00 0.40 H new HETATM 0 H62 DDA A 28A -12.048 -10.568 1.707 1.00 0.40 H new HETATM 0 H61 DDA A 28A -11.516 -8.934 2.172 1.00 0.40 H new HETATM 0 H5 DDA A 28A -10.816 -8.531 -0.132 1.00 0.33 H new HETATM 0 H4 DDA A 28A -11.317 -11.419 -0.735 1.00 0.29 H new HETATM 0 H3 DDA A 28A -9.973 -9.330 -2.450 1.00 0.26 H new HETATM 0 H22 DDA A 28A -7.989 -10.829 -2.010 1.00 0.31 H new HETATM 0 H21 DDA A 28A -8.995 -11.940 -1.102 1.00 0.31 H new HETATM 0 H1 DDA A 28A -8.467 -9.055 -0.431 1.00 0.32 H new HETATM 934 C1 DDL A 28B -11.024 -10.546 -4.349 1.00 0.29 C HETATM 935 C2 DDL A 28B -10.618 -11.284 -5.638 1.00 0.37 C HETATM 936 C3 DDL A 28B -11.330 -10.777 -6.882 1.00 0.44 C HETATM 937 C4 DDL A 28B -12.806 -10.830 -6.629 1.00 0.41 C HETATM 938 C5 DDL A 28B -13.169 -10.048 -5.377 1.00 0.33 C HETATM 939 C6 DDL A 28B -14.670 -10.119 -5.148 1.00 0.35 C HETATM 940 O5 DDL A 28B -12.456 -10.548 -4.233 1.00 0.29 O HETATM 941 O3 DDL A 28B -10.986 -11.594 -8.016 1.00 0.52 O HETATM 942 O4 DDL A 28B -13.273 -12.169 -6.564 1.00 0.46 O HETATM 0 HO4 DDL A 28B -12.651 -12.756 -7.042 1.00 0.46 H new HETATM 0 H63 DDL A 28B -15.189 -9.691 -6.005 1.00 0.35 H new HETATM 0 H62 DDL A 28B -14.970 -11.159 -5.024 1.00 0.35 H new HETATM 0 H61 DDL A 28B -14.928 -9.558 -4.250 1.00 0.35 H new HETATM 0 H5 DDL A 28B -12.879 -9.007 -5.518 1.00 0.33 H new HETATM 0 H4 DDL A 28B -13.308 -10.356 -7.472 1.00 0.41 H new HETATM 0 H3 DDL A 28B -11.026 -9.753 -7.100 1.00 0.44 H new HETATM 0 H22 DDL A 28B -9.542 -11.184 -5.780 1.00 0.37 H new HETATM 0 H21 DDL A 28B -10.826 -12.347 -5.519 1.00 0.37 H new HETATM 953 MG MG A 19 6.855 8.490 -6.890 1.00 0.25 MG HETATM 954 MG MG B 29 -6.123 -6.370 -1.815 1.00 0.26 MG HETATM 955 C1 CRH A 13 9.873 7.864 -7.977 1.00 0.29 C HETATM 956 C2 CRH A 13 11.327 7.488 -7.661 1.00 0.35 C HETATM 957 C3 CRH A 13 12.026 6.897 -8.912 1.00 0.39 C HETATM 958 C4 CRH A 13 11.896 7.891 -10.027 1.00 0.32 C HETATM 959 C5 CRH A 13 8.476 8.792 -13.258 1.00 0.37 C HETATM 960 C6 CRH A 13 7.184 9.045 -13.690 1.00 0.42 C HETATM 961 C7 CRH A 13 6.180 9.173 -12.742 1.00 0.38 C HETATM 962 C8 CRH A 13 6.484 9.035 -11.393 1.00 0.29 C HETATM 963 C9 CRH A 13 8.148 8.520 -9.624 1.00 0.23 C HETATM 964 C10 CRH A 13 10.076 8.358 -11.600 1.00 0.30 C HETATM 965 C11 CRH A 13 8.779 8.654 -11.930 1.00 0.30 C HETATM 966 C12 CRH A 13 7.790 8.755 -10.958 1.00 0.26 C HETATM 967 C13 CRH A 13 9.476 8.198 -9.272 1.00 0.25 C HETATM 968 C14 CRH A 13 10.424 8.132 -10.296 1.00 0.28 C HETATM 969 C15 CRH A 13 4.799 9.641 -13.173 1.00 0.45 C HETATM 970 O1 CRH A 13 9.042 7.854 -7.071 1.00 0.31 O HETATM 971 O8 CRH A 13 5.438 9.248 -10.524 1.00 0.28 O HETATM 972 O9 CRH A 13 7.138 8.582 -8.687 1.00 0.23 O HETATM 973 C1' CRH A 13 13.479 6.477 -8.644 1.00 0.46 C HETATM 974 C2' CRH A 13 13.939 5.414 -9.648 1.00 0.56 C HETATM 975 C3' CRH A 13 14.272 3.981 -9.202 1.00 0.71 C HETATM 976 C4' CRH A 13 13.799 3.567 -7.788 1.00 0.78 C HETATM 977 C1M CRH A 13 14.539 8.257 -7.340 1.00 0.55 C HETATM 978 C4M CRH A 13 12.283 3.501 -7.636 1.00 0.77 C HETATM 979 O1' CRH A 13 14.499 7.470 -8.524 1.00 0.45 O HETATM 980 O2' CRH A 13 14.067 5.717 -10.837 1.00 0.66 O HETATM 981 O3' CRH A 13 15.686 3.779 -9.184 1.00 0.81 O HETATM 982 O4' CRH A 13 14.193 2.206 -7.637 1.00 1.00 O HETATM 0 H4'3 CRH A 13 11.853 4.481 -7.845 1.00 0.77 H new HETATM 0 H4'2 CRH A 13 11.879 2.771 -8.337 1.00 0.77 H new HETATM 0 H4'1 CRH A 13 12.032 3.204 -6.618 1.00 0.77 H new HETATM 0 H153 CRH A 13 4.874 10.632 -13.620 1.00 0.45 H new HETATM 0 H152 CRH A 13 4.390 8.943 -13.904 1.00 0.45 H new HETATM 0 H151 CRH A 13 4.142 9.683 -12.305 1.00 0.45 H new HETATM 0 H1'3 CRH A 13 13.602 8.804 -7.235 1.00 0.55 H new HETATM 0 H1'2 CRH A 13 14.678 7.607 -6.476 1.00 0.55 H new HETATM 0 H1'1 CRH A 13 15.367 8.963 -7.400 1.00 0.55 H new HETATM 0 HO8 CRH A 13 5.738 9.087 -9.605 1.00 0.28 H new HETATM 0 HO4 CRH A 13 13.921 1.883 -6.753 1.00 1.00 H new HETATM 0 HO3 CRH A 13 15.895 2.972 -8.669 1.00 0.81 H new HETATM 0 H5 CRH A 13 9.273 8.700 -13.996 1.00 0.37 H new HETATM 0 H42 CRH A 13 12.389 8.826 -9.759 1.00 0.32 H new HETATM 0 H41 CRH A 13 12.388 7.517 -10.925 1.00 0.32 H new HETATM 0 H4' CRH A 13 14.208 4.293 -7.085 1.00 0.78 H new HETATM 0 H3' CRH A 13 13.734 3.379 -9.934 1.00 0.71 H new HETATM 0 H3 CRH A 13 11.534 5.968 -9.199 1.00 0.39 H new HETATM 0 H22 CRH A 13 11.869 8.369 -7.318 1.00 0.35 H new HETATM 0 H10 CRH A 13 10.835 8.302 -12.381 1.00 0.30 H new HETATM 0 H1' CRH A 13 13.386 6.101 -7.625 1.00 0.46 H new HETATM 1004 C1 MDA A 29C 6.292 3.853 0.833 1.00 0.40 C HETATM 1005 C2 MDA A 29C 5.791 2.508 0.318 1.00 0.43 C HETATM 1006 C3 MDA A 29C 4.268 2.522 0.275 1.00 0.42 C HETATM 1007 C4 MDA A 29C 3.827 2.797 1.742 1.00 0.44 C HETATM 1008 C5 MDA A 29C 4.431 4.127 2.266 1.00 0.41 C HETATM 1009 C6 MDA A 29C 4.082 4.522 3.694 1.00 0.49 C HETATM 1010 C3' MDA A 29C 3.775 1.212 -0.366 1.00 0.53 C HETATM 1011 O5 MDA A 29C 5.858 4.082 2.163 1.00 0.44 O HETATM 1012 O3 MDA A 29C 3.822 3.577 -0.560 1.00 0.37 O HETATM 1013 O4 MDA A 29C 2.415 2.841 1.847 1.00 0.47 O HETATM 0 H3'3 MDA A 29C 4.171 1.131 -1.378 1.00 0.53 H new HETATM 0 H3'2 MDA A 29C 4.119 0.365 0.227 1.00 0.53 H new HETATM 0 H3'1 MDA A 29C 2.686 1.212 -0.402 1.00 0.53 H new HETATM 0 HO4 MDA A 29C 2.157 2.853 2.792 1.00 0.47 H new HETATM 0 HO3 MDA A 29C 4.038 3.369 -1.493 1.00 0.37 H new HETATM 0 H63 MDA A 29C 3.002 4.631 3.787 1.00 0.49 H new HETATM 0 H62 MDA A 29C 4.429 3.750 4.380 1.00 0.49 H new HETATM 0 H61 MDA A 29C 4.565 5.468 3.938 1.00 0.49 H new HETATM 0 H5 MDA A 29C 3.975 4.885 1.629 1.00 0.41 H new HETATM 0 H4 MDA A 29C 4.201 1.976 2.354 1.00 0.44 H new HETATM 0 H22 MDA A 29C 6.193 2.314 -0.676 1.00 0.43 H new HETATM 0 H21 MDA A 29C 6.141 1.704 0.966 1.00 0.43 H new HETATM 1027 C1 CRH B 17 8.495 10.647 -5.039 1.00 0.33 C HETATM 1028 C2 CRH B 17 9.472 11.831 -4.998 1.00 0.39 C HETATM 1029 C3 CRH B 17 9.370 12.562 -3.646 1.00 0.45 C HETATM 1030 C4 CRH B 17 9.480 11.591 -2.511 1.00 0.44 C HETATM 1031 C5 CRH B 17 6.145 8.804 -0.335 1.00 0.34 C HETATM 1032 C6 CRH B 17 5.147 7.845 -0.322 1.00 0.31 C HETATM 1033 C7 CRH B 17 4.774 7.247 -1.521 1.00 0.28 C HETATM 1034 C8 CRH B 17 5.404 7.603 -2.702 1.00 0.27 C HETATM 1035 C9 CRH B 17 7.016 9.040 -3.898 1.00 0.28 C HETATM 1036 C10 CRH B 17 7.713 10.175 -1.477 1.00 0.37 C HETATM 1037 C11 CRH B 17 6.767 9.175 -1.511 1.00 0.33 C HETATM 1038 C12 CRH B 17 6.407 8.585 -2.723 1.00 0.28 C HETATM 1039 C13 CRH B 17 7.975 10.072 -3.876 1.00 0.31 C HETATM 1040 C14 CRH B 17 8.317 10.617 -2.633 1.00 0.37 C HETATM 1041 C15 CRH B 17 3.528 6.380 -1.625 1.00 0.27 C HETATM 1042 O1 CRH B 17 8.131 10.224 -6.134 1.00 0.31 O HETATM 1043 O8 CRH B 17 5.021 6.881 -3.819 1.00 0.30 O HETATM 1044 O9 CRH B 17 6.625 8.434 -5.074 1.00 0.28 O HETATM 1045 C1' CRH B 17 10.323 13.750 -3.680 1.00 0.53 C HETATM 1046 C2' CRH B 17 10.292 14.607 -2.406 1.00 0.62 C HETATM 1047 C3' CRH B 17 9.390 15.839 -2.374 1.00 0.68 C HETATM 1048 C4' CRH B 17 7.953 15.397 -2.697 1.00 0.63 C HETATM 1049 C1M CRH B 17 12.109 14.625 -4.954 1.00 0.58 C HETATM 1050 C4M CRH B 17 7.334 14.460 -1.654 1.00 0.64 C HETATM 1051 O1' CRH B 17 11.662 13.561 -4.123 1.00 0.57 O HETATM 1052 O2' CRH B 17 10.966 14.306 -1.419 1.00 0.68 O HETATM 1053 O3' CRH B 17 9.755 16.770 -3.397 1.00 0.71 O HETATM 1054 O4' CRH B 17 7.086 16.524 -2.635 1.00 0.71 O HETATM 0 H4'3 CRH B 17 7.936 13.555 -1.575 1.00 0.64 H new HETATM 0 H4'2 CRH B 17 7.304 14.961 -0.687 1.00 0.64 H new HETATM 0 H4'1 CRH B 17 6.321 14.196 -1.958 1.00 0.64 H new HETATM 0 H153 CRH B 17 3.616 5.534 -0.943 1.00 0.27 H new HETATM 0 H152 CRH B 17 2.651 6.970 -1.360 1.00 0.27 H new HETATM 0 H151 CRH B 17 3.424 6.014 -2.646 1.00 0.27 H new HETATM 0 H1'3 CRH B 17 11.469 14.694 -5.833 1.00 0.58 H new HETATM 0 H1'2 CRH B 17 12.066 15.562 -4.400 1.00 0.58 H new HETATM 0 H1'1 CRH B 17 13.136 14.436 -5.267 1.00 0.58 H new HETATM 0 HO8 CRH B 17 5.437 7.269 -4.617 1.00 0.30 H new HETATM 0 HO4 CRH B 17 6.155 16.225 -2.700 1.00 0.71 H new HETATM 0 HO3 CRH B 17 8.948 17.198 -3.753 1.00 0.71 H new HETATM 0 H5 CRH B 17 6.446 9.275 0.601 1.00 0.34 H new HETATM 0 H42 CRH B 17 10.431 11.060 -2.550 1.00 0.44 H new HETATM 0 H41 CRH B 17 9.445 12.113 -1.555 1.00 0.44 H new HETATM 0 H4' CRH B 17 8.035 14.910 -3.669 1.00 0.63 H new HETATM 0 H3' CRH B 17 9.482 16.300 -1.391 1.00 0.68 H new HETATM 0 H3 CRH B 17 8.389 13.002 -3.464 1.00 0.45 H new HETATM 0 H22 CRH B 17 10.491 11.476 -5.151 1.00 0.39 H new HETATM 0 H10 CRH B 17 7.988 10.623 -0.522 1.00 0.37 H new HETATM 0 H1' CRH B 17 9.870 14.294 -4.509 1.00 0.53 H new HETATM 1076 C1 MDA A 18C 5.799 12.149 -15.635 1.00 0.59 C HETATM 1077 C2 MDA A 18C 4.493 12.917 -15.455 1.00 0.68 C HETATM 1078 C3 MDA A 18C 3.278 12.081 -15.822 1.00 0.75 C HETATM 1079 C4 MDA A 18C 3.493 11.455 -17.192 1.00 0.83 C HETATM 1080 C5 MDA A 18C 4.853 10.736 -17.287 1.00 0.76 C HETATM 1081 C6 MDA A 18C 5.002 10.213 -18.709 1.00 0.87 C HETATM 1082 C3' MDA A 18C 2.047 12.994 -15.865 1.00 0.85 C HETATM 1083 O5 MDA A 18C 5.896 11.664 -16.976 1.00 0.69 O HETATM 1084 O3 MDA A 18C 3.149 11.073 -14.858 1.00 0.66 O HETATM 1085 O4 MDA A 18C 2.420 10.587 -17.537 1.00 0.90 O HETATM 0 H3'3 MDA A 18C 1.899 13.452 -14.887 1.00 0.85 H new HETATM 0 H3'2 MDA A 18C 2.198 13.774 -16.611 1.00 0.85 H new HETATM 0 H3'1 MDA A 18C 1.167 12.406 -16.127 1.00 0.85 H new HETATM 0 HO4 MDA A 18C 2.071 10.160 -16.727 1.00 0.90 H new HETATM 0 HO3 MDA A 18C 2.267 11.136 -14.435 1.00 0.66 H new HETATM 0 H63 MDA A 18C 4.191 9.519 -18.928 1.00 0.87 H new HETATM 0 H62 MDA A 18C 4.965 11.047 -19.409 1.00 0.87 H new HETATM 0 H61 MDA A 18C 5.957 9.698 -18.809 1.00 0.87 H new HETATM 0 H5 MDA A 18C 4.912 9.906 -16.583 1.00 0.76 H new HETATM 0 H4 MDA A 18C 3.509 12.267 -17.919 1.00 0.83 H new HETATM 0 H22 MDA A 18C 4.406 13.245 -14.419 1.00 0.68 H new HETATM 0 H21 MDA A 18C 4.514 13.815 -16.073 1.00 0.68 H new HETATM 1099 C1 CRH B 23 -9.214 -5.756 -0.955 1.00 0.29 C HETATM 1100 C2 CRH B 23 -10.208 -5.305 0.124 1.00 0.35 C HETATM 1101 C3 CRH B 23 -11.532 -4.818 -0.518 1.00 0.37 C HETATM 1102 C4 CRH B 23 -12.057 -5.918 -1.389 1.00 0.30 C HETATM 1103 C5 CRH B 23 -11.193 -7.237 -5.913 1.00 0.36 C HETATM 1104 C6 CRH B 23 -10.402 -7.572 -7.000 1.00 0.41 C HETATM 1105 C7 CRH B 23 -9.029 -7.640 -6.826 1.00 0.39 C HETATM 1106 C8 CRH B 23 -8.477 -7.360 -5.582 1.00 0.32 C HETATM 1107 C9 CRH B 23 -8.783 -6.624 -3.230 1.00 0.24 C HETATM 1108 C10 CRH B 23 -11.510 -6.593 -3.681 1.00 0.29 C HETATM 1109 C11 CRH B 23 -10.655 -6.961 -4.685 1.00 0.30 C HETATM 1110 C12 CRH B 23 -9.278 -6.998 -4.486 1.00 0.27 C HETATM 1111 C13 CRH B 23 -9.652 -6.227 -2.192 1.00 0.25 C HETATM 1112 C14 CRH B 23 -11.025 -6.231 -2.455 1.00 0.27 C HETATM 1113 C15 CRH B 23 -8.159 -8.190 -7.944 1.00 0.46 C HETATM 1114 O1 CRH B 23 -8.009 -5.684 -0.723 1.00 0.30 O HETATM 1115 O8 CRH B 23 -7.114 -7.522 -5.487 1.00 0.30 O HETATM 1116 O9 CRH B 23 -7.413 -6.628 -3.074 1.00 0.24 O HETATM 1117 C1' CRH B 23 -12.555 -4.327 0.518 1.00 0.45 C HETATM 1118 C2' CRH B 23 -13.555 -3.353 -0.114 1.00 0.55 C HETATM 1119 C3' CRH B 23 -13.604 -1.873 0.301 1.00 0.70 C HETATM 1120 C4' CRH B 23 -12.399 -1.339 1.110 1.00 0.76 C HETATM 1121 C1M CRH B 23 -12.576 -5.938 2.362 1.00 0.59 C HETATM 1122 C4M CRH B 23 -11.091 -1.307 0.325 1.00 0.75 C HETATM 1123 O1' CRH B 23 -13.272 -5.272 1.315 1.00 0.48 O HETATM 1124 O2' CRH B 23 -14.353 -3.765 -0.960 1.00 0.64 O HETATM 1125 O3' CRH B 23 -14.738 -1.625 1.134 1.00 0.82 O HETATM 1126 O4' CRH B 23 -12.669 0.042 1.332 1.00 0.97 O HETATM 0 H4'3 CRH B 23 -10.838 -2.316 -0.001 1.00 0.75 H new HETATM 0 H4'2 CRH B 23 -11.205 -0.662 -0.546 1.00 0.75 H new HETATM 0 H4'1 CRH B 23 -10.294 -0.921 0.961 1.00 0.75 H new HETATM 0 H153 CRH B 23 -8.453 -9.217 -8.162 1.00 0.46 H new HETATM 0 H152 CRH B 23 -8.286 -7.579 -8.838 1.00 0.46 H new HETATM 0 H151 CRH B 23 -7.114 -8.169 -7.635 1.00 0.46 H new HETATM 0 H1'3 CRH B 23 -11.742 -6.501 1.944 1.00 0.59 H new HETATM 0 H1'2 CRH B 23 -12.198 -5.203 3.072 1.00 0.59 H new HETATM 0 H1'1 CRH B 23 -13.255 -6.621 2.873 1.00 0.59 H new HETATM 0 HO8 CRH B 23 -6.826 -7.341 -4.568 1.00 0.30 H new HETATM 0 HO4 CRH B 23 -11.936 0.440 1.846 1.00 0.97 H new HETATM 0 HO3 CRH B 23 -14.571 -0.832 1.686 1.00 0.82 H new HETATM 0 H5 CRH B 23 -12.275 -7.192 -6.039 1.00 0.36 H new HETATM 0 H42 CRH B 23 -12.264 -6.806 -0.792 1.00 0.30 H new HETATM 0 H41 CRH B 23 -12.998 -5.618 -1.851 1.00 0.30 H new HETATM 0 H4' CRH B 23 -12.288 -1.979 1.985 1.00 0.76 H new HETATM 0 H3' CRH B 23 -13.624 -1.362 -0.662 1.00 0.70 H new HETATM 0 H3 CRH B 23 -11.336 -3.938 -1.130 1.00 0.37 H new HETATM 0 H22 CRH B 23 -10.411 -6.131 0.806 1.00 0.35 H new HETATM 0 H10 CRH B 23 -12.585 -6.589 -3.860 1.00 0.29 H new HETATM 0 H1' CRH B 23 -11.888 -3.856 1.240 1.00 0.45 H new HETATM 1148 C1 MDA B 30C -1.237 -1.025 3.573 1.00 0.40 C HETATM 1149 C2 MDA B 30C -1.183 0.247 2.734 1.00 0.43 C HETATM 1150 C3 MDA B 30C 0.018 0.180 1.798 1.00 0.43 C HETATM 1151 C4 MDA B 30C 1.251 0.035 2.735 1.00 0.44 C HETATM 1152 C5 MDA B 30C 1.119 -1.218 3.640 1.00 0.40 C HETATM 1153 C6 MDA B 30C 2.261 -1.484 4.613 1.00 0.49 C HETATM 1154 C3' MDA B 30C -0.006 1.405 0.866 1.00 0.54 C HETATM 1155 O5 MDA B 30C -0.091 -1.138 4.401 1.00 0.43 O HETATM 1156 O3 MDA B 30C -0.085 -0.964 0.969 1.00 0.40 O HETATM 1157 O4 MDA B 30C 2.451 -0.044 1.986 1.00 0.51 O HETATM 0 H3'3 MDA B 30C -0.927 1.401 0.283 1.00 0.54 H new HETATM 0 H3'2 MDA B 30C 0.042 2.316 1.462 1.00 0.54 H new HETATM 0 H3'1 MDA B 30C 0.850 1.366 0.192 1.00 0.54 H new HETATM 0 HO4 MDA B 30C 3.219 0.028 2.590 1.00 0.51 H new HETATM 0 HO3 MDA B 30C -0.829 -0.848 0.342 1.00 0.40 H new HETATM 0 H63 MDA B 30C 3.189 -1.618 4.057 1.00 0.49 H new HETATM 0 H62 MDA B 30C 2.364 -0.638 5.293 1.00 0.49 H new HETATM 0 H61 MDA B 30C 2.048 -2.386 5.186 1.00 0.49 H new HETATM 0 H5 MDA B 30C 1.132 -2.048 2.933 1.00 0.40 H new HETATM 0 H4 MDA B 30C 1.287 0.923 3.366 1.00 0.44 H new HETATM 0 H22 MDA B 30C -2.102 0.356 2.158 1.00 0.43 H new HETATM 0 H21 MDA B 30C -1.106 1.121 3.381 1.00 0.43 H new HETATM 1171 C1 CRH A 27 -6.275 -8.284 0.846 1.00 0.33 C HETATM 1172 C2 CRH A 27 -6.999 -9.426 1.574 1.00 0.38 C HETATM 1173 C3 CRH A 27 -6.091 -10.025 2.665 1.00 0.45 C HETATM 1174 C4 CRH A 27 -5.538 -8.945 3.543 1.00 0.43 C HETATM 1175 C5 CRH A 27 -1.653 -6.070 3.033 1.00 0.36 C HETATM 1176 C6 CRH A 27 -0.873 -5.146 2.358 1.00 0.33 C HETATM 1177 C7 CRH A 27 -1.305 -4.679 1.120 1.00 0.28 C HETATM 1178 C8 CRH A 27 -2.500 -5.129 0.584 1.00 0.26 C HETATM 1179 C9 CRH A 27 -4.459 -6.623 0.725 1.00 0.28 C HETATM 1180 C10 CRH A 27 -3.547 -7.494 3.184 1.00 0.39 C HETATM 1181 C11 CRH A 27 -2.839 -6.533 2.498 1.00 0.34 C HETATM 1182 C12 CRH A 27 -3.288 -6.075 1.257 1.00 0.29 C HETATM 1183 C13 CRH A 27 -5.185 -7.616 1.412 1.00 0.32 C HETATM 1184 C14 CRH A 27 -4.705 -8.026 2.660 1.00 0.37 C HETATM 1185 C15 CRH A 27 -0.391 -3.867 0.215 1.00 0.26 C HETATM 1186 O1 CRH A 27 -6.645 -7.983 -0.286 1.00 0.33 O HETATM 1187 O8 CRH A 27 -2.877 -4.531 -0.606 1.00 0.26 O HETATM 1188 O9 CRH A 27 -4.863 -6.146 -0.506 1.00 0.26 O HETATM 1189 C1' CRH A 27 -6.840 -11.181 3.318 1.00 0.51 C HETATM 1190 C2' CRH A 27 -6.031 -11.910 4.401 1.00 0.62 C HETATM 1191 C3' CRH A 27 -5.248 -13.161 4.011 1.00 0.68 C HETATM 1192 C4' CRH A 27 -4.298 -12.798 2.857 1.00 0.60 C HETATM 1193 C1M CRH A 27 -9.004 -12.119 3.443 1.00 0.55 C HETATM 1194 C4M CRH A 27 -3.211 -11.785 3.233 1.00 0.64 C HETATM 1195 O1' CRH A 27 -8.186 -10.994 3.740 1.00 0.56 O HETATM 1196 O2' CRH A 27 -5.997 -11.493 5.560 1.00 0.69 O HETATM 1197 O3' CRH A 27 -6.118 -14.175 3.500 1.00 0.73 O HETATM 1198 O4' CRH A 27 -3.527 -13.942 2.503 1.00 0.69 O HETATM 0 H4'3 CRH A 27 -3.677 -10.858 3.567 1.00 0.64 H new HETATM 0 H4'2 CRH A 27 -2.597 -12.192 4.036 1.00 0.64 H new HETATM 0 H4'1 CRH A 27 -2.585 -11.584 2.364 1.00 0.64 H new HETATM 0 H153 CRH A 27 -0.084 -2.957 0.730 1.00 0.26 H new HETATM 0 H152 CRH A 27 0.490 -4.457 -0.036 1.00 0.26 H new HETATM 0 H151 CRH A 27 -0.924 -3.604 -0.699 1.00 0.26 H new HETATM 0 H1'3 CRH A 27 -9.008 -12.292 2.367 1.00 0.55 H new HETATM 0 H1'2 CRH A 27 -8.610 -13.000 3.950 1.00 0.55 H new HETATM 0 H1'1 CRH A 27 -10.022 -11.929 3.784 1.00 0.55 H new HETATM 0 HO8 CRH A 27 -3.725 -4.916 -0.911 1.00 0.26 H new HETATM 0 HO4 CRH A 27 -2.826 -13.681 1.869 1.00 0.69 H new HETATM 0 HO3 CRH A 27 -5.634 -14.722 2.847 1.00 0.73 H new HETATM 0 H5 CRH A 27 -1.325 -6.439 4.005 1.00 0.36 H new HETATM 0 H42 CRH A 27 -6.344 -8.390 4.023 1.00 0.43 H new HETATM 0 H41 CRH A 27 -4.927 -9.372 4.338 1.00 0.43 H new HETATM 0 H4' CRH A 27 -4.955 -12.405 2.081 1.00 0.60 H new HETATM 0 H3' CRH A 27 -4.725 -13.521 4.897 1.00 0.68 H new HETATM 0 H3 CRH A 27 -5.179 -10.475 2.272 1.00 0.45 H new HETATM 0 H22 CRH A 27 -7.921 -9.054 2.022 1.00 0.38 H new HETATM 0 H10 CRH A 27 -3.187 -7.838 4.154 1.00 0.39 H new HETATM 0 H1' CRH A 27 -6.951 -11.817 2.440 1.00 0.51 H new HETATM 1220 C1 MDA B 28C -10.344 -10.893 -9.076 1.00 0.59 C HETATM 1221 C2 MDA B 28C -9.161 -11.680 -9.632 1.00 0.65 C HETATM 1222 C3 MDA B 28C -8.429 -10.923 -10.727 1.00 0.73 C HETATM 1223 C4 MDA B 28C -9.434 -10.427 -11.756 1.00 0.82 C HETATM 1224 C5 MDA B 28C -10.607 -9.677 -11.095 1.00 0.76 C HETATM 1225 C6 MDA B 28C -11.587 -9.290 -12.192 1.00 0.87 C HETATM 1226 C3' MDA B 28C -7.434 -11.875 -11.403 1.00 0.83 C HETATM 1227 O5 MDA B 28C -11.233 -10.537 -10.138 1.00 0.68 O HETATM 1228 O3 MDA B 28C -7.786 -9.831 -10.131 1.00 0.65 O HETATM 1229 O4 MDA B 28C -8.802 -9.632 -12.751 1.00 0.91 O HETATM 0 H3'3 MDA B 28C -6.720 -12.239 -10.664 1.00 0.83 H new HETATM 0 H3'2 MDA B 28C -7.973 -12.719 -11.834 1.00 0.83 H new HETATM 0 H3'1 MDA B 28C -6.901 -11.344 -12.192 1.00 0.83 H new HETATM 0 HO4 MDA B 28C -8.036 -9.164 -12.358 1.00 0.91 H new HETATM 0 HO3 MDA B 28C -6.844 -9.818 -10.402 1.00 0.65 H new HETATM 0 H63 MDA B 28C -11.087 -8.647 -12.916 1.00 0.87 H new HETATM 0 H62 MDA B 28C -11.947 -10.189 -12.692 1.00 0.87 H new HETATM 0 H61 MDA B 28C -12.431 -8.756 -11.755 1.00 0.87 H new HETATM 0 H5 MDA B 28C -10.262 -8.782 -10.578 1.00 0.76 H new HETATM 0 H4 MDA B 28C -9.853 -11.304 -12.250 1.00 0.82 H new HETATM 0 H22 MDA B 28C -8.466 -11.907 -8.823 1.00 0.65 H new HETATM 0 H21 MDA B 28C -9.514 -12.633 -10.026 1.00 0.65 H new