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= -0.378 USER MOD Set 1.2: B 30CMDA O4 : rot 170:sc= -0.362 USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.969 USER MOD Single : A 5 DT C7 :methyl 150:sc= -3.18! (180deg=-3.18!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.356 (180deg=-1.71!) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : A 11 DDA O3 : rot 17:sc= 0.305 USER MOD Single : A 11 DDA O4 : rot 25:sc= 0.0205 USER MOD Single : A 12 DDA O4 : rot 30:sc= 0.0161 USER MOD Single : A 13 CRH O3' : rot 13:sc= 1.04 USER MOD Single : A 13 CRH O4' : rot 36:sc= 0.189 USER MOD Single : A 13 CRH O8 : rot 177:sc= 1.72 USER MOD Single : A 14ADDA O4 : rot 31:sc= 0.179 USER MOD Single : A 14BDDL O4 : rot -22:sc= 0.064 USER MOD Single : A 18CMDA O3 : rot 122:sc= -0.742! USER MOD Single : A 18CMDA O4 : rot 150:sc=-0.000437 USER MOD Single : A 25 DDA O3 : rot -102:sc= 0.975 USER MOD Single : A 25 DDA O4 : rot 25:sc= 0.0115 USER MOD Single : A 26 DDA O4 : rot 34:sc= 0.00483 USER MOD Single : A 27 CRH O3' : rot 159:sc= 0.0991 USER MOD Single : A 27 CRH O4' : rot 180:sc= 0.147 USER MOD Single : A 27 CRH O8 : rot -165:sc= 1.47 USER MOD Single : A 28ADDA O4 : rot 48:sc= 1.2 USER MOD Single : A 28BDDL O4 : rot -30:sc= 0.0345 USER MOD Single : A 29CMDA O3 : rot 70:sc= -2.37! USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 122:sc= -0.978 USER MOD Single : B 5 DT C7 :methyl 150:sc= -3.15! (180deg=-3.15!) USER MOD Single : B 9 DT C7 :methyl -30:sc= -0.388 (180deg=-1.71!) USER MOD Single : B 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 15 DDA O3 : rot -102:sc= 0.96 USER MOD Single : B 15 DDA O4 : rot 24:sc= 0.0143 USER MOD Single : B 16 DDA O4 : rot 31:sc= 0.00307 USER MOD Single : B 17 CRH O3' : rot 152:sc= 0.119 USER MOD Single : B 17 CRH O4' : rot 180:sc= 0.135 USER MOD Single : B 17 CRH O8 : rot 170:sc= 1.64 USER MOD Single : B 18ADDA O4 : rot 51:sc= 1.14 USER MOD Single : B 18BDDL O4 : rot -26:sc= 0.0297 USER MOD Single : B 21 DDA O3 : rot 19:sc= 0.297 USER MOD Single : B 21 DDA O4 : rot 26:sc= 0.0173 USER MOD Single : B 22 DDA O4 : rot 37:sc= 0.0202 USER MOD Single : B 23 CRH O3' : rot 19:sc= 1.08 USER MOD Single : B 23 CRH O4' : rot 30:sc= 0.167 USER MOD Single : B 23 CRH O8 : rot 176:sc= 1.77 USER MOD Single : B 24ADDA O4 : rot 29:sc= 0.185 USER MOD Single : B 24BDDL O4 : rot -27:sc= 0.0663 USER MOD Single : B 28CMDA O3 : rot 126:sc= -0.729! USER MOD Single : B 28CMDA O4 : rot 150:sc=-0.00902 USER MOD Single : B 30CMDA O3 : rot 72:sc= -2.4! USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.062 11.865 -16.630 1.00 0.67 O ATOM 2 C5' DT A 1 -7.996 12.734 -17.771 1.00 0.59 C ATOM 3 C4' DT A 1 -6.550 12.942 -18.242 1.00 0.46 C ATOM 4 O4' DT A 1 -5.740 13.542 -17.215 1.00 0.44 O ATOM 5 C3' DT A 1 -5.844 11.644 -18.642 1.00 0.47 C ATOM 6 O3' DT A 1 -4.977 11.911 -19.754 1.00 0.47 O ATOM 7 C2' DT A 1 -5.108 11.288 -17.380 1.00 0.47 C ATOM 8 C1' DT A 1 -4.696 12.637 -16.822 1.00 0.40 C ATOM 9 N1 DT A 1 -4.661 12.627 -15.339 1.00 0.40 N ATOM 10 C2 DT A 1 -3.444 12.781 -14.705 1.00 0.36 C ATOM 11 O2 DT A 1 -2.372 12.911 -15.289 1.00 0.35 O ATOM 12 N3 DT A 1 -3.483 12.782 -13.337 1.00 0.38 N ATOM 13 C4 DT A 1 -4.583 12.648 -12.536 1.00 0.44 C ATOM 14 O4 DT A 1 -4.431 12.682 -11.317 1.00 0.49 O ATOM 15 C5 DT A 1 -5.822 12.488 -13.266 1.00 0.49 C ATOM 16 C7 DT A 1 -7.146 12.326 -12.509 1.00 0.61 C ATOM 17 C6 DT A 1 -5.819 12.483 -14.615 1.00 0.47 C ATOM 0 H5' DT A 1 -8.440 13.698 -17.521 1.00 0.59 H new ATOM 0 H5'' DT A 1 -8.587 12.313 -18.584 1.00 0.59 H new ATOM 0 H4' DT A 1 -6.644 13.591 -19.112 1.00 0.46 H new ATOM 0 H3' DT A 1 -6.489 10.831 -18.974 1.00 0.47 H new ATOM 0 H2' DT A 1 -5.745 10.742 -16.684 1.00 0.47 H new ATOM 0 H2'' DT A 1 -4.243 10.656 -17.583 1.00 0.47 H new ATOM 0 HO5' DT A 1 -8.996 11.756 -16.356 1.00 0.67 H new ATOM 0 H1' DT A 1 -3.705 12.907 -17.186 1.00 0.40 H new ATOM 0 H3 DT A 1 -2.589 12.896 -12.860 1.00 0.38 H new ATOM 0 H71 DT A 1 -7.959 12.738 -13.106 1.00 0.61 H new ATOM 0 H72 DT A 1 -7.332 11.268 -12.323 1.00 0.61 H new ATOM 0 H73 DT A 1 -7.089 12.857 -11.559 1.00 0.61 H new ATOM 0 H6 DT A 1 -6.755 12.362 -15.141 1.00 0.47 H new ATOM 31 P DA A 2 -4.338 10.718 -20.634 1.00 0.54 P ATOM 32 OP1 DA A 2 -3.762 11.312 -21.863 1.00 0.65 O ATOM 33 OP2 DA A 2 -5.343 9.635 -20.744 1.00 0.68 O ATOM 34 O5' DA A 2 -3.139 10.200 -19.687 1.00 0.47 O ATOM 35 C5' DA A 2 -1.776 10.623 -19.860 1.00 0.45 C ATOM 36 C4' DA A 2 -0.853 9.978 -18.827 1.00 0.38 C ATOM 37 O4' DA A 2 -1.124 10.391 -17.476 1.00 0.35 O ATOM 38 C3' DA A 2 -1.000 8.447 -18.804 1.00 0.35 C ATOM 39 O3' DA A 2 0.091 7.898 -19.556 1.00 0.32 O ATOM 40 C2' DA A 2 -1.041 8.116 -17.318 1.00 0.32 C ATOM 41 C1' DA A 2 -0.571 9.379 -16.630 1.00 0.32 C ATOM 42 N9 DA A 2 -1.137 9.524 -15.281 1.00 0.30 N ATOM 43 C8 DA A 2 -2.403 9.237 -14.860 1.00 0.31 C ATOM 44 N7 DA A 2 -2.613 9.491 -13.597 1.00 0.31 N ATOM 45 C5 DA A 2 -1.384 9.979 -13.158 1.00 0.29 C ATOM 46 C6 DA A 2 -0.928 10.430 -11.916 1.00 0.29 C ATOM 47 N6 DA A 2 -1.710 10.462 -10.844 1.00 0.32 N ATOM 48 N1 DA A 2 0.350 10.844 -11.827 1.00 0.30 N ATOM 49 C2 DA A 2 1.132 10.814 -12.906 1.00 0.30 C ATOM 50 N3 DA A 2 0.801 10.408 -14.125 1.00 0.29 N ATOM 51 C4 DA A 2 -0.482 10.000 -14.180 1.00 0.28 C ATOM 0 H5' DA A 2 -1.717 11.708 -19.774 1.00 0.45 H new ATOM 0 H5'' DA A 2 -1.438 10.364 -20.863 1.00 0.45 H new ATOM 0 H4' DA A 2 0.141 10.298 -19.138 1.00 0.38 H new ATOM 0 H3' DA A 2 -1.889 8.023 -19.272 1.00 0.35 H new ATOM 0 H2' DA A 2 -2.048 7.843 -17.001 1.00 0.32 H new ATOM 0 H2'' DA A 2 -0.393 7.272 -17.082 1.00 0.32 H new ATOM 0 H1' DA A 2 0.511 9.408 -16.501 1.00 0.32 H new ATOM 0 H8 DA A 2 -3.163 8.836 -15.514 1.00 0.31 H new ATOM 0 H61 DA A 2 -1.342 10.798 -9.954 1.00 0.32 H new ATOM 0 H62 DA A 2 -2.679 10.151 -10.910 1.00 0.32 H new ATOM 0 H2 DA A 2 2.147 11.158 -12.773 1.00 0.30 H new ATOM 63 P DG A 3 0.578 6.364 -19.500 1.00 0.29 P ATOM 64 OP1 DG A 3 1.517 6.138 -20.622 1.00 0.34 O ATOM 65 OP2 DG A 3 -0.601 5.485 -19.333 1.00 0.34 O ATOM 66 O5' DG A 3 1.420 6.346 -18.127 1.00 0.26 O ATOM 67 C5' DG A 3 2.484 7.278 -17.900 1.00 0.22 C ATOM 68 C4' DG A 3 2.899 7.277 -16.435 1.00 0.21 C ATOM 69 O4' DG A 3 1.851 7.736 -15.550 1.00 0.23 O ATOM 70 C3' DG A 3 3.264 5.878 -15.933 1.00 0.19 C ATOM 71 O3' DG A 3 4.673 5.635 -16.029 1.00 0.21 O ATOM 72 C2' DG A 3 2.739 5.922 -14.509 1.00 0.20 C ATOM 73 C1' DG A 3 2.302 7.339 -14.248 1.00 0.23 C ATOM 74 N9 DG A 3 1.250 7.301 -13.211 1.00 0.23 N ATOM 75 C8 DG A 3 0.004 6.791 -13.366 1.00 0.25 C ATOM 76 N7 DG A 3 -0.751 6.856 -12.310 1.00 0.26 N ATOM 77 C5 DG A 3 0.070 7.463 -11.365 1.00 0.23 C ATOM 78 C6 DG A 3 -0.196 7.802 -10.011 1.00 0.23 C ATOM 79 O6 DG A 3 -1.208 7.648 -9.337 1.00 0.26 O ATOM 80 N1 DG A 3 0.888 8.388 -9.418 1.00 0.22 N ATOM 81 C2 DG A 3 2.085 8.633 -10.027 1.00 0.21 C ATOM 82 N2 DG A 3 3.004 9.192 -9.266 1.00 0.22 N ATOM 83 N3 DG A 3 2.362 8.329 -11.295 1.00 0.20 N ATOM 84 C4 DG A 3 1.303 7.743 -11.907 1.00 0.21 C ATOM 0 H5' DG A 3 2.166 8.279 -18.192 1.00 0.22 H new ATOM 0 H5'' DG A 3 3.339 7.020 -18.525 1.00 0.22 H new ATOM 0 H4' DG A 3 3.756 7.950 -16.410 1.00 0.21 H new ATOM 0 H3' DG A 3 2.840 5.056 -16.510 1.00 0.19 H new ATOM 0 H2' DG A 3 1.905 5.231 -14.383 1.00 0.20 H new ATOM 0 H2'' DG A 3 3.512 5.620 -13.803 1.00 0.20 H new ATOM 0 H1' DG A 3 3.046 8.037 -13.864 1.00 0.23 H new ATOM 0 H8 DG A 3 -0.336 6.363 -14.297 1.00 0.25 H new ATOM 0 H1 DG A 3 0.795 8.665 -8.441 1.00 0.22 H new ATOM 0 H21 DG A 3 3.924 9.405 -9.651 1.00 0.22 H new ATOM 0 H22 DG A 3 2.795 9.411 -8.292 1.00 0.22 H new ATOM 96 P DC A 4 5.318 4.253 -15.486 1.00 0.18 P ATOM 97 OP1 DC A 4 6.682 4.130 -16.046 1.00 0.25 O ATOM 98 OP2 DC A 4 4.340 3.161 -15.690 1.00 0.27 O ATOM 99 O5' DC A 4 5.439 4.541 -13.916 1.00 0.23 O ATOM 100 C5' DC A 4 6.394 5.483 -13.416 1.00 0.18 C ATOM 101 C4' DC A 4 6.146 5.759 -11.948 1.00 0.20 C ATOM 102 O4' DC A 4 4.830 6.296 -11.695 1.00 0.24 O ATOM 103 C3' DC A 4 6.174 4.506 -11.071 1.00 0.23 C ATOM 104 O3' DC A 4 7.519 4.060 -10.873 1.00 0.24 O ATOM 105 C2' DC A 4 5.573 5.067 -9.826 1.00 0.24 C ATOM 106 C1' DC A 4 4.479 5.997 -10.330 1.00 0.22 C ATOM 107 N1 DC A 4 3.096 5.480 -10.114 1.00 0.20 N ATOM 108 C2 DC A 4 2.594 5.568 -8.820 1.00 0.21 C ATOM 109 O2 DC A 4 3.261 6.029 -7.900 1.00 0.23 O ATOM 110 N3 DC A 4 1.339 5.126 -8.568 1.00 0.23 N ATOM 111 C4 DC A 4 0.588 4.613 -9.540 1.00 0.23 C ATOM 112 N4 DC A 4 -0.640 4.209 -9.230 1.00 0.28 N ATOM 113 C5 DC A 4 1.077 4.505 -10.883 1.00 0.23 C ATOM 114 C6 DC A 4 2.329 4.949 -11.126 1.00 0.22 C ATOM 0 H5' DC A 4 6.329 6.412 -13.983 1.00 0.18 H new ATOM 0 H5'' DC A 4 7.403 5.095 -13.554 1.00 0.18 H new ATOM 0 H4' DC A 4 6.950 6.453 -11.704 1.00 0.20 H new ATOM 0 H3' DC A 4 5.660 3.630 -11.467 1.00 0.23 H new ATOM 0 H2' DC A 4 5.166 4.281 -9.190 1.00 0.24 H new ATOM 0 H2'' DC A 4 6.313 5.606 -9.234 1.00 0.24 H new ATOM 0 H1' DC A 4 4.435 6.919 -9.750 1.00 0.22 H new ATOM 0 H41 DC A 4 -1.243 3.811 -9.950 1.00 0.28 H new ATOM 0 H42 DC A 4 -0.979 4.297 -8.272 1.00 0.28 H new ATOM 0 H5 DC A 4 0.468 4.085 -11.670 1.00 0.23 H new ATOM 0 H6 DC A 4 2.733 4.887 -12.126 1.00 0.22 H new ATOM 126 P DT A 5 7.857 2.836 -9.875 1.00 0.28 P ATOM 127 OP1 DT A 5 9.296 2.516 -10.007 1.00 0.41 O ATOM 128 OP2 DT A 5 6.842 1.775 -10.075 1.00 0.39 O ATOM 129 O5' DT A 5 7.597 3.496 -8.426 1.00 0.22 O ATOM 130 C5' DT A 5 8.452 4.504 -7.864 1.00 0.21 C ATOM 131 C4' DT A 5 8.456 4.422 -6.338 1.00 0.21 C ATOM 132 O4' DT A 5 7.153 4.663 -5.748 1.00 0.24 O ATOM 133 C3' DT A 5 8.889 3.035 -5.857 1.00 0.20 C ATOM 134 O3' DT A 5 9.707 3.117 -4.686 1.00 0.27 O ATOM 135 C2' DT A 5 7.577 2.350 -5.613 1.00 0.19 C ATOM 136 C1' DT A 5 6.675 3.464 -5.105 1.00 0.22 C ATOM 137 N1 DT A 5 5.294 3.172 -5.536 1.00 0.23 N ATOM 138 C2 DT A 5 4.274 3.133 -4.592 1.00 0.24 C ATOM 139 O2 DT A 5 4.418 3.349 -3.390 1.00 0.27 O ATOM 140 N3 DT A 5 3.031 2.824 -5.084 1.00 0.25 N ATOM 141 C4 DT A 5 2.713 2.553 -6.390 1.00 0.24 C ATOM 142 O4 DT A 5 1.552 2.299 -6.683 1.00 0.24 O ATOM 143 C5 DT A 5 3.823 2.611 -7.303 1.00 0.23 C ATOM 144 C7 DT A 5 3.594 2.280 -8.773 1.00 0.27 C ATOM 145 C6 DT A 5 5.052 2.917 -6.860 1.00 0.22 C ATOM 0 H5' DT A 5 8.114 5.491 -8.179 1.00 0.21 H new ATOM 0 H5'' DT A 5 9.467 4.379 -8.242 1.00 0.21 H new ATOM 0 H4' DT A 5 9.154 5.198 -6.024 1.00 0.21 H new ATOM 0 H3' DT A 5 9.514 2.494 -6.568 1.00 0.20 H new ATOM 0 H2' DT A 5 7.184 1.902 -6.526 1.00 0.19 H new ATOM 0 H2'' DT A 5 7.674 1.549 -4.881 1.00 0.19 H new ATOM 0 H1' DT A 5 6.686 3.564 -4.020 1.00 0.22 H new ATOM 0 H3 DT A 5 2.266 2.793 -4.410 1.00 0.25 H new ATOM 0 H71 DT A 5 4.296 2.844 -9.387 1.00 0.27 H new ATOM 0 H72 DT A 5 3.747 1.213 -8.934 1.00 0.27 H new ATOM 0 H73 DT A 5 2.574 2.546 -9.051 1.00 0.27 H new ATOM 0 H6 DT A 5 5.870 2.963 -7.564 1.00 0.22 H new ATOM 158 P DA A 6 10.419 1.784 -4.128 1.00 0.32 P ATOM 159 OP1 DA A 6 11.335 2.181 -3.035 1.00 0.44 O ATOM 160 OP2 DA A 6 10.937 1.011 -5.278 1.00 0.39 O ATOM 161 O5' DA A 6 9.167 0.977 -3.497 1.00 0.26 O ATOM 162 C5' DA A 6 8.783 1.156 -2.127 1.00 0.22 C ATOM 163 C4' DA A 6 7.740 0.138 -1.661 1.00 0.21 C ATOM 164 O4' DA A 6 6.433 0.448 -2.182 1.00 0.24 O ATOM 165 C3' DA A 6 8.022 -1.322 -2.061 1.00 0.19 C ATOM 166 O3' DA A 6 8.467 -2.083 -0.925 1.00 0.24 O ATOM 167 C2' DA A 6 6.695 -1.786 -2.635 1.00 0.18 C ATOM 168 C1' DA A 6 5.659 -0.754 -2.228 1.00 0.18 C ATOM 169 N9 DA A 6 4.661 -0.565 -3.295 1.00 0.19 N ATOM 170 C8 DA A 6 4.885 -0.337 -4.626 1.00 0.21 C ATOM 171 N7 DA A 6 3.802 -0.206 -5.333 1.00 0.19 N ATOM 172 C5 DA A 6 2.786 -0.359 -4.396 1.00 0.16 C ATOM 173 C6 DA A 6 1.397 -0.330 -4.504 1.00 0.16 C ATOM 174 N6 DA A 6 0.778 -0.135 -5.660 1.00 0.18 N ATOM 175 N1 DA A 6 0.680 -0.515 -3.387 1.00 0.17 N ATOM 176 C2 DA A 6 1.305 -0.719 -2.233 1.00 0.16 C ATOM 177 N3 DA A 6 2.607 -0.770 -2.006 1.00 0.16 N ATOM 178 C4 DA A 6 3.299 -0.578 -3.151 1.00 0.15 C ATOM 0 H5' DA A 6 8.385 2.162 -1.995 1.00 0.22 H new ATOM 0 H5'' DA A 6 9.667 1.078 -1.494 1.00 0.22 H new ATOM 0 H4' DA A 6 7.790 0.217 -0.575 1.00 0.21 H new ATOM 0 H3' DA A 6 8.828 -1.444 -2.785 1.00 0.19 H new ATOM 0 H2' DA A 6 6.751 -1.871 -3.720 1.00 0.18 H new ATOM 0 H2'' DA A 6 6.431 -2.772 -2.252 1.00 0.18 H new ATOM 0 H1' DA A 6 5.138 -1.030 -1.311 1.00 0.18 H new ATOM 0 H8 DA A 6 5.875 -0.272 -5.052 1.00 0.21 H new ATOM 0 H61 DA A 6 -0.241 -0.121 -5.697 1.00 0.18 H new ATOM 0 H62 DA A 6 1.321 0.001 -6.513 1.00 0.18 H new ATOM 0 H2 DA A 6 0.670 -0.861 -1.371 1.00 0.16 H new ATOM 190 P DG A 7 8.605 -3.694 -0.952 1.00 0.24 P ATOM 191 OP1 DG A 7 9.200 -4.131 0.331 1.00 0.31 O ATOM 192 OP2 DG A 7 9.210 -4.113 -2.236 1.00 0.30 O ATOM 193 O5' DG A 7 7.058 -4.145 -0.941 1.00 0.22 O ATOM 194 C5' DG A 7 6.283 -3.846 0.227 1.00 0.21 C ATOM 195 C4' DG A 7 4.811 -4.145 0.089 1.00 0.18 C ATOM 196 O4' DG A 7 4.242 -3.368 -0.971 1.00 0.16 O ATOM 197 C3' DG A 7 4.516 -5.590 -0.299 1.00 0.17 C ATOM 198 O3' DG A 7 4.322 -6.428 0.847 1.00 0.19 O ATOM 199 C2' DG A 7 3.257 -5.449 -1.081 1.00 0.16 C ATOM 200 C1' DG A 7 2.987 -3.983 -1.266 1.00 0.14 C ATOM 201 N9 DG A 7 2.689 -3.799 -2.688 1.00 0.13 N ATOM 202 C8 DG A 7 3.619 -3.706 -3.657 1.00 0.14 C ATOM 203 N7 DG A 7 3.135 -3.538 -4.861 1.00 0.15 N ATOM 204 C5 DG A 7 1.753 -3.525 -4.650 1.00 0.15 C ATOM 205 C6 DG A 7 0.668 -3.378 -5.569 1.00 0.14 C ATOM 206 O6 DG A 7 0.661 -3.210 -6.785 1.00 0.17 O ATOM 207 N1 DG A 7 -0.547 -3.429 -4.928 1.00 0.15 N ATOM 208 C2 DG A 7 -0.720 -3.595 -3.581 1.00 0.16 C ATOM 209 N2 DG A 7 -1.961 -3.636 -3.152 1.00 0.18 N ATOM 210 N3 DG A 7 0.273 -3.731 -2.711 1.00 0.15 N ATOM 211 C4 DG A 7 1.479 -3.687 -3.315 1.00 0.13 C ATOM 0 H5' DG A 7 6.406 -2.791 0.470 1.00 0.21 H new ATOM 0 H5'' DG A 7 6.680 -4.415 1.068 1.00 0.21 H new ATOM 0 H4' DG A 7 4.393 -3.920 1.070 1.00 0.18 H new ATOM 0 H3' DG A 7 5.331 -6.063 -0.846 1.00 0.17 H new ATOM 0 H2' DG A 7 3.351 -5.944 -2.048 1.00 0.16 H new ATOM 0 H2'' DG A 7 2.428 -5.926 -0.558 1.00 0.16 H new ATOM 0 H1' DG A 7 2.175 -3.584 -0.657 1.00 0.14 H new ATOM 0 H8 DG A 7 4.679 -3.765 -3.457 1.00 0.14 H new ATOM 0 H1 DG A 7 -1.385 -3.336 -5.502 1.00 0.15 H new ATOM 0 H21 DG A 7 -2.153 -3.758 -2.158 1.00 0.18 H new ATOM 0 H22 DG A 7 -2.732 -3.546 -3.813 1.00 0.18 H new ATOM 223 P DC A 8 4.083 -8.021 0.686 1.00 0.20 P ATOM 224 OP1 DC A 8 4.093 -8.616 2.042 1.00 0.26 O ATOM 225 OP2 DC A 8 5.014 -8.531 -0.347 1.00 0.22 O ATOM 226 O5' DC A 8 2.577 -8.100 0.098 1.00 0.21 O ATOM 227 C5' DC A 8 1.418 -8.015 0.944 1.00 0.19 C ATOM 228 C4' DC A 8 0.114 -8.091 0.157 1.00 0.17 C ATOM 229 O4' DC A 8 -0.103 -6.988 -0.732 1.00 0.16 O ATOM 230 C3' DC A 8 0.010 -9.305 -0.775 1.00 0.19 C ATOM 231 O3' DC A 8 -0.112 -10.562 -0.088 1.00 0.25 O ATOM 232 C2' DC A 8 -1.222 -8.886 -1.532 1.00 0.17 C ATOM 233 C1' DC A 8 -0.974 -7.417 -1.797 1.00 0.15 C ATOM 234 N1 DC A 8 -0.390 -7.144 -3.132 1.00 0.13 N ATOM 235 C2 DC A 8 -1.244 -7.098 -4.218 1.00 0.16 C ATOM 236 O2 DC A 8 -2.445 -7.312 -4.099 1.00 0.23 O ATOM 237 N3 DC A 8 -0.730 -6.818 -5.441 1.00 0.17 N ATOM 238 C4 DC A 8 0.574 -6.588 -5.599 1.00 0.15 C ATOM 239 N4 DC A 8 1.022 -6.310 -6.816 1.00 0.18 N ATOM 240 C5 DC A 8 1.470 -6.634 -4.486 1.00 0.14 C ATOM 241 C6 DC A 8 0.946 -6.916 -3.285 1.00 0.14 C ATOM 0 H5' DC A 8 1.448 -7.079 1.502 1.00 0.19 H new ATOM 0 H5'' DC A 8 1.445 -8.823 1.675 1.00 0.19 H new ATOM 0 H4' DC A 8 -0.612 -8.123 0.970 1.00 0.17 H new ATOM 0 H3' DC A 8 0.888 -9.510 -1.387 1.00 0.19 H new ATOM 0 H2' DC A 8 -1.338 -9.449 -2.458 1.00 0.17 H new ATOM 0 H2'' DC A 8 -2.128 -9.043 -0.947 1.00 0.17 H new ATOM 0 H1' DC A 8 -1.914 -6.866 -1.812 1.00 0.15 H new ATOM 0 H41 DC A 8 2.015 -6.130 -6.965 1.00 0.18 H new ATOM 0 H42 DC A 8 0.374 -6.276 -7.603 1.00 0.18 H new ATOM 0 H5 DC A 8 2.527 -6.449 -4.608 1.00 0.14 H new ATOM 0 H6 DC A 8 1.594 -6.964 -2.422 1.00 0.14 H new ATOM 253 P DT A 9 -1.387 -11.068 0.763 1.00 0.27 P ATOM 254 OP1 DT A 9 -1.738 -10.019 1.750 1.00 0.32 O ATOM 255 OP2 DT A 9 -1.093 -12.443 1.221 1.00 0.39 O ATOM 256 O5' DT A 9 -2.557 -11.145 -0.355 1.00 0.26 O ATOM 257 C5' DT A 9 -3.921 -10.782 -0.074 1.00 0.22 C ATOM 258 C4' DT A 9 -4.866 -11.156 -1.219 1.00 0.22 C ATOM 259 O4' DT A 9 -4.598 -10.418 -2.424 1.00 0.27 O ATOM 260 C3' DT A 9 -4.763 -12.628 -1.567 1.00 0.26 C ATOM 261 O3' DT A 9 -6.028 -13.181 -1.180 1.00 0.35 O ATOM 262 C2' DT A 9 -4.470 -12.639 -3.040 1.00 0.26 C ATOM 263 C1' DT A 9 -4.833 -11.265 -3.555 1.00 0.26 C ATOM 264 N1 DT A 9 -3.837 -10.861 -4.572 1.00 0.23 N ATOM 265 C2 DT A 9 -4.236 -10.480 -5.837 1.00 0.27 C ATOM 266 O2 DT A 9 -5.403 -10.449 -6.211 1.00 0.31 O ATOM 267 N3 DT A 9 -3.220 -10.120 -6.689 1.00 0.28 N ATOM 268 C4 DT A 9 -1.873 -10.104 -6.401 1.00 0.24 C ATOM 269 O4 DT A 9 -1.084 -9.750 -7.270 1.00 0.28 O ATOM 270 C5 DT A 9 -1.546 -10.517 -5.058 1.00 0.20 C ATOM 271 C7 DT A 9 -0.098 -10.566 -4.562 1.00 0.21 C ATOM 272 C6 DT A 9 -2.520 -10.871 -4.217 1.00 0.20 C ATOM 0 H5' DT A 9 -3.980 -9.709 0.108 1.00 0.22 H new ATOM 0 H5'' DT A 9 -4.246 -11.278 0.840 1.00 0.22 H new ATOM 0 H4' DT A 9 -5.863 -10.912 -0.853 1.00 0.22 H new ATOM 0 H3' DT A 9 -3.991 -13.219 -1.075 1.00 0.26 H new ATOM 0 H2' DT A 9 -3.419 -12.859 -3.226 1.00 0.26 H new ATOM 0 H2'' DT A 9 -5.051 -13.410 -3.546 1.00 0.26 H new ATOM 0 H1' DT A 9 -5.840 -11.223 -3.969 1.00 0.26 H new ATOM 0 H3 DT A 9 -3.491 -9.836 -7.630 1.00 0.28 H new ATOM 0 H71 DT A 9 0.566 -10.783 -5.399 1.00 0.21 H new ATOM 0 H72 DT A 9 0.170 -9.604 -4.126 1.00 0.21 H new ATOM 0 H73 DT A 9 0.002 -11.346 -3.808 1.00 0.21 H new ATOM 0 H6 DT A 9 -2.255 -11.177 -3.216 1.00 0.20 H new ATOM 285 P DA A 10 -6.484 -14.696 -1.458 1.00 0.36 P ATOM 286 OP1 DA A 10 -7.810 -14.909 -0.836 1.00 0.46 O ATOM 287 OP2 DA A 10 -5.358 -15.598 -1.130 1.00 0.46 O ATOM 288 O5' DA A 10 -6.667 -14.686 -3.062 1.00 0.31 O ATOM 289 C5' DA A 10 -7.660 -13.905 -3.751 1.00 0.30 C ATOM 290 C4' DA A 10 -7.419 -13.967 -5.253 1.00 0.30 C ATOM 291 O4' DA A 10 -6.145 -13.410 -5.557 1.00 0.28 O ATOM 292 C3' DA A 10 -7.301 -15.416 -5.749 1.00 0.30 C ATOM 293 O3' DA A 10 -8.544 -16.010 -6.132 1.00 0.36 O ATOM 294 C2' DA A 10 -6.273 -15.333 -6.863 1.00 0.32 C ATOM 295 C1' DA A 10 -5.862 -13.872 -6.873 1.00 0.28 C ATOM 296 N9 DA A 10 -4.443 -13.633 -7.086 1.00 0.27 N ATOM 297 C8 DA A 10 -3.434 -13.843 -6.209 1.00 0.27 C ATOM 298 N7 DA A 10 -2.255 -13.503 -6.664 1.00 0.30 N ATOM 299 C5 DA A 10 -2.535 -13.035 -7.952 1.00 0.30 C ATOM 300 C6 DA A 10 -1.740 -12.518 -8.988 1.00 0.34 C ATOM 301 N6 DA A 10 -0.423 -12.358 -8.933 1.00 0.37 N ATOM 302 N1 DA A 10 -2.369 -12.161 -10.114 1.00 0.37 N ATOM 303 C2 DA A 10 -3.683 -12.297 -10.224 1.00 0.37 C ATOM 304 N3 DA A 10 -4.531 -12.763 -9.330 1.00 0.33 N ATOM 305 C4 DA A 10 -3.875 -13.117 -8.205 1.00 0.30 C ATOM 0 H5' DA A 10 -7.622 -12.870 -3.410 1.00 0.30 H new ATOM 0 H5'' DA A 10 -8.656 -14.281 -3.518 1.00 0.30 H new ATOM 0 H4' DA A 10 -8.255 -13.442 -5.715 1.00 0.30 H new ATOM 0 H3' DA A 10 -6.987 -16.096 -4.957 1.00 0.30 H new ATOM 0 H2' DA A 10 -5.422 -15.986 -6.670 1.00 0.32 H new ATOM 0 H2'' DA A 10 -6.697 -15.635 -7.821 1.00 0.32 H new ATOM 0 HO3' DA A 10 -8.388 -16.928 -6.437 1.00 0.36 H new ATOM 0 H1' DA A 10 -6.389 -13.379 -7.690 1.00 0.28 H new ATOM 0 H8 DA A 10 -3.588 -14.254 -5.222 1.00 0.27 H new ATOM 0 H61 DA A 10 0.078 -11.974 -9.734 1.00 0.37 H new ATOM 0 H62 DA A 10 0.088 -12.619 -8.090 1.00 0.37 H new ATOM 0 H2 DA A 10 -4.112 -11.987 -11.165 1.00 0.37 H new TER 318 DA A 10 ATOM 319 O5' DT B 1 0.208 -11.146 -18.119 1.00 0.68 O ATOM 320 C5' DT B 1 -0.494 -12.116 -18.909 1.00 0.59 C ATOM 321 C4' DT B 1 -1.930 -12.323 -18.409 1.00 0.47 C ATOM 322 O4' DT B 1 -1.956 -12.794 -17.050 1.00 0.42 O ATOM 323 C3' DT B 1 -2.777 -11.048 -18.435 1.00 0.48 C ATOM 324 O3' DT B 1 -4.126 -11.395 -18.783 1.00 0.47 O ATOM 325 C2' DT B 1 -2.632 -10.548 -17.024 1.00 0.45 C ATOM 326 C1' DT B 1 -2.588 -11.823 -16.203 1.00 0.41 C ATOM 327 N1 DT B 1 -1.738 -11.669 -14.998 1.00 0.41 N ATOM 328 C2 DT B 1 -2.336 -11.723 -13.755 1.00 0.37 C ATOM 329 O2 DT B 1 -3.541 -11.874 -13.575 1.00 0.37 O ATOM 330 N3 DT B 1 -1.493 -11.593 -12.684 1.00 0.39 N ATOM 331 C4 DT B 1 -0.137 -11.416 -12.711 1.00 0.46 C ATOM 332 O4 DT B 1 0.465 -11.326 -11.642 1.00 0.48 O ATOM 333 C5 DT B 1 0.422 -11.368 -14.043 1.00 0.51 C ATOM 334 C7 DT B 1 1.931 -11.174 -14.239 1.00 0.63 C ATOM 335 C6 DT B 1 -0.381 -11.493 -15.121 1.00 0.48 C ATOM 0 H5' DT B 1 0.042 -13.065 -18.881 1.00 0.59 H new ATOM 0 H5'' DT B 1 -0.514 -11.792 -19.950 1.00 0.59 H new ATOM 0 H4' DT B 1 -2.348 -13.057 -19.099 1.00 0.47 H new ATOM 0 H3' DT B 1 -2.481 -10.291 -19.162 1.00 0.48 H new ATOM 0 H2' DT B 1 -1.725 -9.957 -16.898 1.00 0.45 H new ATOM 0 H2'' DT B 1 -3.469 -9.912 -16.735 1.00 0.45 H new ATOM 0 HO5' DT B 1 1.013 -11.555 -17.739 1.00 0.68 H new ATOM 0 H1' DT B 1 -3.592 -12.096 -15.878 1.00 0.41 H new ATOM 0 H3 DT B 1 -1.925 -11.633 -11.761 1.00 0.39 H new ATOM 0 H71 DT B 1 2.245 -11.668 -15.158 1.00 0.63 H new ATOM 0 H72 DT B 1 2.155 -10.109 -14.305 1.00 0.63 H new ATOM 0 H73 DT B 1 2.466 -11.606 -13.393 1.00 0.63 H new ATOM 0 H6 DT B 1 0.056 -11.454 -16.108 1.00 0.48 H new ATOM 349 P DA B 2 -5.200 -10.272 -19.224 1.00 0.54 P ATOM 350 OP1 DA B 2 -6.373 -10.963 -19.807 1.00 0.65 O ATOM 351 OP2 DA B 2 -4.491 -9.238 -20.012 1.00 0.69 O ATOM 352 O5' DA B 2 -5.619 -9.627 -17.807 1.00 0.48 O ATOM 353 C5' DA B 2 -6.803 -10.021 -17.095 1.00 0.47 C ATOM 354 C4' DA B 2 -6.954 -9.249 -15.784 1.00 0.39 C ATOM 355 O4' DA B 2 -5.921 -9.540 -14.825 1.00 0.38 O ATOM 356 C3' DA B 2 -6.872 -7.730 -16.000 1.00 0.35 C ATOM 357 O3' DA B 2 -8.212 -7.222 -16.007 1.00 0.35 O ATOM 358 C2' DA B 2 -5.967 -7.258 -14.869 1.00 0.33 C ATOM 359 C1' DA B 2 -5.896 -8.433 -13.918 1.00 0.34 C ATOM 360 N9 DA B 2 -4.637 -8.464 -13.162 1.00 0.32 N ATOM 361 C8 DA B 2 -3.378 -8.179 -13.604 1.00 0.34 C ATOM 362 N7 DA B 2 -2.453 -8.314 -12.695 1.00 0.33 N ATOM 363 C5 DA B 2 -3.165 -8.719 -11.567 1.00 0.30 C ATOM 364 C6 DA B 2 -2.780 -9.034 -10.260 1.00 0.29 C ATOM 365 N6 DA B 2 -1.514 -8.987 -9.865 1.00 0.32 N ATOM 366 N1 DA B 2 -3.742 -9.397 -9.391 1.00 0.29 N ATOM 367 C2 DA B 2 -5.012 -9.447 -9.793 1.00 0.29 C ATOM 368 N3 DA B 2 -5.482 -9.171 -11.002 1.00 0.29 N ATOM 369 C4 DA B 2 -4.496 -8.810 -11.846 1.00 0.30 C ATOM 0 H5' DA B 2 -6.764 -11.090 -16.886 1.00 0.47 H new ATOM 0 H5'' DA B 2 -7.679 -9.851 -17.721 1.00 0.47 H new ATOM 0 H4' DA B 2 -7.929 -9.564 -15.412 1.00 0.39 H new ATOM 0 H3' DA B 2 -6.449 -7.382 -16.942 1.00 0.35 H new ATOM 0 H2' DA B 2 -4.978 -6.988 -15.240 1.00 0.33 H new ATOM 0 H2'' DA B 2 -6.375 -6.375 -14.378 1.00 0.33 H new ATOM 0 H1' DA B 2 -6.689 -8.415 -13.170 1.00 0.34 H new ATOM 0 H8 DA B 2 -3.166 -7.869 -14.617 1.00 0.34 H new ATOM 0 H61 DA B 2 -1.271 -9.224 -8.903 1.00 0.32 H new ATOM 0 H62 DA B 2 -0.784 -8.714 -10.523 1.00 0.32 H new ATOM 0 H2 DA B 2 -5.739 -9.745 -9.052 1.00 0.29 H new ATOM 381 P DG B 3 -8.620 -5.674 -15.821 1.00 0.30 P ATOM 382 OP1 DG B 3 -10.048 -5.529 -16.184 1.00 0.35 O ATOM 383 OP2 DG B 3 -7.601 -4.821 -16.473 1.00 0.37 O ATOM 384 O5' DG B 3 -8.484 -5.497 -14.226 1.00 0.26 O ATOM 385 C5' DG B 3 -9.175 -6.368 -13.324 1.00 0.21 C ATOM 386 C4' DG B 3 -8.639 -6.213 -11.907 1.00 0.20 C ATOM 387 O4' DG B 3 -7.257 -6.617 -11.777 1.00 0.23 O ATOM 388 C3' DG B 3 -8.681 -4.761 -11.425 1.00 0.19 C ATOM 389 O3' DG B 3 -9.878 -4.484 -10.687 1.00 0.22 O ATOM 390 C2' DG B 3 -7.412 -4.683 -10.594 1.00 0.22 C ATOM 391 C1' DG B 3 -6.860 -6.082 -10.507 1.00 0.21 C ATOM 392 N9 DG B 3 -5.400 -5.977 -10.306 1.00 0.21 N ATOM 393 C8 DG B 3 -4.506 -5.524 -11.218 1.00 0.23 C ATOM 394 N7 DG B 3 -3.270 -5.510 -10.816 1.00 0.25 N ATOM 395 C5 DG B 3 -3.351 -5.997 -9.516 1.00 0.23 C ATOM 396 C6 DG B 3 -2.323 -6.212 -8.557 1.00 0.26 C ATOM 397 O6 DG B 3 -1.113 -6.026 -8.634 1.00 0.28 O ATOM 398 N1 DG B 3 -2.824 -6.704 -7.384 1.00 0.25 N ATOM 399 C2 DG B 3 -4.141 -6.968 -7.136 1.00 0.23 C ATOM 400 N2 DG B 3 -4.411 -7.420 -5.930 1.00 0.25 N ATOM 401 N3 DG B 3 -5.126 -6.779 -8.015 1.00 0.21 N ATOM 402 C4 DG B 3 -4.655 -6.289 -9.189 1.00 0.20 C ATOM 0 H5' DG B 3 -9.061 -7.402 -13.650 1.00 0.21 H new ATOM 0 H5'' DG B 3 -10.242 -6.145 -13.341 1.00 0.21 H new ATOM 0 H4' DG B 3 -9.290 -6.854 -11.313 1.00 0.20 H new ATOM 0 H3' DG B 3 -8.710 -4.014 -12.218 1.00 0.19 H new ATOM 0 H2' DG B 3 -6.689 -4.010 -11.055 1.00 0.22 H new ATOM 0 H2'' DG B 3 -7.625 -4.289 -9.600 1.00 0.22 H new ATOM 0 H1' DG B 3 -7.209 -6.715 -9.691 1.00 0.21 H new ATOM 0 H8 DG B 3 -4.799 -5.199 -12.205 1.00 0.23 H new ATOM 0 H1 DG B 3 -2.160 -6.889 -6.632 1.00 0.25 H new ATOM 0 H21 DG B 3 -5.373 -7.640 -5.671 1.00 0.25 H new ATOM 0 H22 DG B 3 -3.658 -7.551 -5.254 1.00 0.25 H new ATOM 414 P DC B 4 -10.119 -3.035 -10.005 1.00 0.20 P ATOM 415 OP1 DC B 4 -11.553 -2.923 -9.656 1.00 0.25 O ATOM 416 OP2 DC B 4 -9.488 -1.999 -10.853 1.00 0.27 O ATOM 417 O5' DC B 4 -9.276 -3.166 -8.650 1.00 0.25 O ATOM 418 C5' DC B 4 -9.718 -4.025 -7.594 1.00 0.20 C ATOM 419 C4' DC B 4 -8.638 -4.165 -6.541 1.00 0.20 C ATOM 420 O4' DC B 4 -7.413 -4.717 -7.067 1.00 0.23 O ATOM 421 C3' DC B 4 -8.181 -2.834 -5.945 1.00 0.22 C ATOM 422 O3' DC B 4 -9.160 -2.327 -5.031 1.00 0.22 O ATOM 423 C2' DC B 4 -6.942 -3.290 -5.252 1.00 0.24 C ATOM 424 C1' DC B 4 -6.330 -4.299 -6.214 1.00 0.22 C ATOM 425 N1 DC B 4 -5.106 -3.807 -6.912 1.00 0.21 N ATOM 426 C2 DC B 4 -3.932 -3.785 -6.167 1.00 0.21 C ATOM 427 O2 DC B 4 -3.909 -4.134 -4.991 1.00 0.24 O ATOM 428 N3 DC B 4 -2.787 -3.362 -6.752 1.00 0.23 N ATOM 429 C4 DC B 4 -2.776 -2.969 -8.024 1.00 0.24 C ATOM 430 N4 DC B 4 -1.617 -2.578 -8.543 1.00 0.30 N ATOM 431 C5 DC B 4 -3.968 -2.976 -8.817 1.00 0.25 C ATOM 432 C6 DC B 4 -5.107 -3.401 -8.227 1.00 0.23 C ATOM 0 H5' DC B 4 -9.972 -5.006 -7.996 1.00 0.20 H new ATOM 0 H5'' DC B 4 -10.624 -3.621 -7.143 1.00 0.20 H new ATOM 0 H4' DC B 4 -9.118 -4.806 -5.802 1.00 0.20 H new ATOM 0 H3' DC B 4 -8.031 -2.018 -6.652 1.00 0.22 H new ATOM 0 H2' DC B 4 -6.263 -2.459 -5.061 1.00 0.24 H new ATOM 0 H2'' DC B 4 -7.169 -3.745 -4.288 1.00 0.24 H new ATOM 0 H1' DC B 4 -5.920 -5.161 -5.688 1.00 0.22 H new ATOM 0 H41 DC B 4 -1.571 -2.270 -9.514 1.00 0.30 H new ATOM 0 H42 DC B 4 -0.773 -2.585 -7.970 1.00 0.30 H new ATOM 0 H5 DC B 4 -3.957 -2.654 -9.848 1.00 0.25 H new ATOM 0 H6 DC B 4 -6.027 -3.422 -8.793 1.00 0.23 H new ATOM 444 P DT B 5 -8.879 -1.003 -4.153 1.00 0.29 P ATOM 445 OP1 DT B 5 -10.124 -0.652 -3.435 1.00 0.39 O ATOM 446 OP2 DT B 5 -8.215 0.000 -5.017 1.00 0.38 O ATOM 447 O5' DT B 5 -7.789 -1.527 -3.085 1.00 0.25 O ATOM 448 C5' DT B 5 -8.112 -2.447 -2.030 1.00 0.22 C ATOM 449 C4' DT B 5 -7.212 -2.218 -0.816 1.00 0.21 C ATOM 450 O4' DT B 5 -5.807 -2.443 -1.094 1.00 0.27 O ATOM 451 C3' DT B 5 -7.319 -0.779 -0.309 1.00 0.21 C ATOM 452 O3' DT B 5 -7.280 -0.722 1.120 1.00 0.27 O ATOM 453 C2' DT B 5 -6.141 -0.115 -0.958 1.00 0.20 C ATOM 454 C1' DT B 5 -5.077 -1.205 -0.980 1.00 0.22 C ATOM 455 N1 DT B 5 -4.232 -0.998 -2.171 1.00 0.21 N ATOM 456 C2 DT B 5 -2.853 -0.901 -2.026 1.00 0.22 C ATOM 457 O2 DT B 5 -2.249 -0.997 -0.960 1.00 0.26 O ATOM 458 N3 DT B 5 -2.155 -0.681 -3.186 1.00 0.24 N ATOM 459 C4 DT B 5 -2.683 -0.549 -4.445 1.00 0.23 C ATOM 460 O4 DT B 5 -1.930 -0.361 -5.393 1.00 0.25 O ATOM 461 C5 DT B 5 -4.115 -0.659 -4.511 1.00 0.23 C ATOM 462 C7 DT B 5 -4.814 -0.479 -5.853 1.00 0.29 C ATOM 463 C6 DT B 5 -4.832 -0.881 -3.397 1.00 0.22 C ATOM 0 H5' DT B 5 -7.997 -3.471 -2.386 1.00 0.22 H new ATOM 0 H5'' DT B 5 -9.156 -2.325 -1.742 1.00 0.22 H new ATOM 0 H4' DT B 5 -7.563 -2.937 -0.076 1.00 0.21 H new ATOM 0 H3' DT B 5 -8.260 -0.290 -0.559 1.00 0.21 H new ATOM 0 H2' DT B 5 -6.380 0.231 -1.964 1.00 0.20 H new ATOM 0 H2'' DT B 5 -5.810 0.756 -0.392 1.00 0.20 H new ATOM 0 H1' DT B 5 -4.437 -1.202 -0.097 1.00 0.22 H new ATOM 0 H3 DT B 5 -1.141 -0.608 -3.104 1.00 0.24 H new ATOM 0 H71 DT B 5 -5.725 -1.077 -5.872 1.00 0.29 H new ATOM 0 H72 DT B 5 -5.067 0.572 -5.994 1.00 0.29 H new ATOM 0 H73 DT B 5 -4.151 -0.803 -6.655 1.00 0.29 H new ATOM 0 H6 DT B 5 -5.906 -0.969 -3.470 1.00 0.22 H new ATOM 476 P DA B 6 -7.564 0.680 1.859 1.00 0.32 P ATOM 477 OP1 DA B 6 -7.641 0.420 3.315 1.00 0.46 O ATOM 478 OP2 DA B 6 -8.688 1.355 1.172 1.00 0.38 O ATOM 479 O5' DA B 6 -6.208 1.505 1.543 1.00 0.28 O ATOM 480 C5' DA B 6 -5.081 1.447 2.428 1.00 0.24 C ATOM 481 C4' DA B 6 -3.998 2.472 2.083 1.00 0.19 C ATOM 482 O4' DA B 6 -3.247 2.071 0.922 1.00 0.23 O ATOM 483 C3' DA B 6 -4.510 3.894 1.790 1.00 0.21 C ATOM 484 O3' DA B 6 -4.218 4.775 2.887 1.00 0.23 O ATOM 485 C2' DA B 6 -3.797 4.258 0.499 1.00 0.17 C ATOM 486 C1' DA B 6 -2.689 3.237 0.310 1.00 0.19 C ATOM 487 N9 DA B 6 -2.513 2.915 -1.116 1.00 0.18 N ATOM 488 C8 DA B 6 -3.476 2.566 -2.026 1.00 0.20 C ATOM 489 N7 DA B 6 -3.020 2.333 -3.222 1.00 0.20 N ATOM 490 C5 DA B 6 -1.652 2.544 -3.090 1.00 0.17 C ATOM 491 C6 DA B 6 -0.597 2.460 -3.997 1.00 0.16 C ATOM 492 N6 DA B 6 -0.778 2.136 -5.269 1.00 0.18 N ATOM 493 N1 DA B 6 0.637 2.730 -3.548 1.00 0.15 N ATOM 494 C2 DA B 6 0.812 3.064 -2.274 1.00 0.15 C ATOM 495 N3 DA B 6 -0.103 3.178 -1.325 1.00 0.16 N ATOM 496 C4 DA B 6 -1.333 2.899 -1.811 1.00 0.16 C ATOM 0 H5' DA B 6 -4.651 0.446 2.394 1.00 0.24 H new ATOM 0 H5'' DA B 6 -5.420 1.614 3.450 1.00 0.24 H new ATOM 0 H4' DA B 6 -3.390 2.501 2.987 1.00 0.19 H new ATOM 0 H3' DA B 6 -5.592 3.970 1.678 1.00 0.21 H new ATOM 0 H2' DA B 6 -4.488 4.239 -0.343 1.00 0.17 H new ATOM 0 H2'' DA B 6 -3.388 5.267 0.554 1.00 0.17 H new ATOM 0 H1' DA B 6 -1.734 3.582 0.707 1.00 0.19 H new ATOM 0 H8 DA B 6 -4.523 2.491 -1.772 1.00 0.20 H new ATOM 0 H61 DA B 6 0.021 2.085 -5.901 1.00 0.18 H new ATOM 0 H62 DA B 6 -1.716 1.937 -5.616 1.00 0.18 H new ATOM 0 H2 DA B 6 1.830 3.268 -1.975 1.00 0.15 H new ATOM 508 P DG B 7 -4.396 6.381 2.792 1.00 0.25 P ATOM 509 OP1 DG B 7 -4.128 6.956 4.129 1.00 0.31 O ATOM 510 OP2 DG B 7 -5.658 6.692 2.084 1.00 0.28 O ATOM 511 O5' DG B 7 -3.160 6.780 1.840 1.00 0.22 O ATOM 512 C5' DG B 7 -1.833 6.571 2.342 1.00 0.22 C ATOM 513 C4' DG B 7 -0.741 6.808 1.331 1.00 0.21 C ATOM 514 O4' DG B 7 -0.886 5.914 0.221 1.00 0.16 O ATOM 515 C3' DG B 7 -0.780 8.200 0.706 1.00 0.18 C ATOM 516 O3' DG B 7 0.030 9.137 1.425 1.00 0.20 O ATOM 517 C2' DG B 7 -0.226 7.944 -0.653 1.00 0.15 C ATOM 518 C1' DG B 7 -0.072 6.459 -0.818 1.00 0.16 C ATOM 519 N9 DG B 7 -0.669 6.129 -2.114 1.00 0.14 N ATOM 520 C8 DG B 7 -1.990 5.971 -2.328 1.00 0.15 C ATOM 521 N7 DG B 7 -2.309 5.672 -3.561 1.00 0.16 N ATOM 522 C5 DG B 7 -1.072 5.635 -4.211 1.00 0.13 C ATOM 523 C6 DG B 7 -0.740 5.366 -5.575 1.00 0.13 C ATOM 524 O6 DG B 7 -1.450 5.082 -6.535 1.00 0.18 O ATOM 525 N1 DG B 7 0.616 5.440 -5.788 1.00 0.13 N ATOM 526 C2 DG B 7 1.549 5.732 -4.830 1.00 0.14 C ATOM 527 N2 DG B 7 2.801 5.773 -5.228 1.00 0.19 N ATOM 528 N3 DG B 7 1.262 5.981 -3.559 1.00 0.14 N ATOM 529 C4 DG B 7 -0.065 5.918 -3.321 1.00 0.13 C ATOM 0 H5' DG B 7 -1.754 5.548 2.711 1.00 0.22 H new ATOM 0 H5'' DG B 7 -1.672 7.231 3.194 1.00 0.22 H new ATOM 0 H4' DG B 7 0.184 6.666 1.889 1.00 0.21 H new ATOM 0 H3' DG B 7 -1.775 8.644 0.707 1.00 0.18 H new ATOM 0 H2' DG B 7 -0.891 8.346 -1.418 1.00 0.15 H new ATOM 0 H2'' DG B 7 0.736 8.443 -0.773 1.00 0.15 H new ATOM 0 H1' DG B 7 0.955 6.096 -0.773 1.00 0.16 H new ATOM 0 H8 DG B 7 -2.726 6.082 -1.545 1.00 0.15 H new ATOM 0 H1 DG B 7 0.953 5.263 -6.734 1.00 0.13 H new ATOM 0 H21 DG B 7 3.542 5.986 -4.560 1.00 0.19 H new ATOM 0 H22 DG B 7 3.032 5.592 -6.205 1.00 0.19 H new ATOM 541 P DC B 8 0.075 10.698 1.001 1.00 0.19 P ATOM 542 OP1 DC B 8 0.852 11.422 2.033 1.00 0.24 O ATOM 543 OP2 DC B 8 -1.302 11.136 0.679 1.00 0.25 O ATOM 544 O5' DC B 8 0.935 10.673 -0.370 1.00 0.18 O ATOM 545 C5' DC B 8 2.372 10.633 -0.372 1.00 0.17 C ATOM 546 C4' DC B 8 2.952 10.592 -1.783 1.00 0.16 C ATOM 547 O4' DC B 8 2.635 9.401 -2.516 1.00 0.17 O ATOM 548 C3' DC B 8 2.443 11.706 -2.705 1.00 0.19 C ATOM 549 O3' DC B 8 2.909 13.018 -2.351 1.00 0.25 O ATOM 550 C2' DC B 8 3.000 11.175 -4.001 1.00 0.17 C ATOM 551 C1' DC B 8 2.690 9.698 -3.924 1.00 0.17 C ATOM 552 N1 DC B 8 1.437 9.314 -4.617 1.00 0.14 N ATOM 553 C2 DC B 8 1.481 9.138 -5.989 1.00 0.16 C ATOM 554 O2 DC B 8 2.511 9.322 -6.626 1.00 0.22 O ATOM 555 N3 DC B 8 0.351 8.756 -6.634 1.00 0.18 N ATOM 556 C4 DC B 8 -0.784 8.555 -5.964 1.00 0.18 C ATOM 557 N4 DC B 8 -1.858 8.173 -6.646 1.00 0.20 N ATOM 558 C5 DC B 8 -0.847 8.735 -4.548 1.00 0.15 C ATOM 559 C6 DC B 8 0.278 9.115 -3.926 1.00 0.15 C ATOM 0 H5' DC B 8 2.709 9.757 0.182 1.00 0.17 H new ATOM 0 H5'' DC B 8 2.758 11.508 0.151 1.00 0.17 H new ATOM 0 H4' DC B 8 4.017 10.680 -1.568 1.00 0.16 H new ATOM 0 H3' DC B 8 1.367 11.880 -2.692 1.00 0.19 H new ATOM 0 H2' DC B 8 2.527 11.642 -4.865 1.00 0.17 H new ATOM 0 H2'' DC B 8 4.071 11.359 -4.085 1.00 0.17 H new ATOM 0 H1' DC B 8 3.455 9.120 -4.442 1.00 0.17 H new ATOM 0 H41 DC B 8 -2.740 8.012 -6.160 1.00 0.20 H new ATOM 0 H42 DC B 8 -1.801 8.041 -7.656 1.00 0.20 H new ATOM 0 H5 DC B 8 -1.764 8.572 -4.001 1.00 0.15 H new ATOM 0 H6 DC B 8 0.266 9.267 -2.857 1.00 0.15 H new ATOM 571 P DT B 9 4.423 13.564 -2.476 1.00 0.27 P ATOM 572 OP1 DT B 9 5.324 12.604 -1.794 1.00 0.32 O ATOM 573 OP2 DT B 9 4.415 14.985 -2.068 1.00 0.42 O ATOM 574 O5' DT B 9 4.699 13.496 -4.070 1.00 0.27 O ATOM 575 C5' DT B 9 5.974 13.116 -4.621 1.00 0.21 C ATOM 576 C4' DT B 9 6.044 13.349 -6.133 1.00 0.21 C ATOM 577 O4' DT B 9 5.137 12.506 -6.865 1.00 0.23 O ATOM 578 C3' DT B 9 5.709 14.783 -6.491 1.00 0.24 C ATOM 579 O3' DT B 9 6.937 15.330 -6.985 1.00 0.32 O ATOM 580 C2' DT B 9 4.598 14.661 -7.497 1.00 0.24 C ATOM 581 C1' DT B 9 4.627 13.232 -7.991 1.00 0.24 C ATOM 582 N1 DT B 9 3.238 12.763 -8.173 1.00 0.22 N ATOM 583 C2 DT B 9 2.819 12.250 -9.384 1.00 0.26 C ATOM 584 O2 DT B 9 3.537 12.146 -10.372 1.00 0.31 O ATOM 585 N3 DT B 9 1.507 11.842 -9.427 1.00 0.26 N ATOM 586 C4 DT B 9 0.596 11.897 -8.397 1.00 0.23 C ATOM 587 O4 DT B 9 -0.543 11.486 -8.588 1.00 0.26 O ATOM 588 C5 DT B 9 1.117 12.448 -7.169 1.00 0.21 C ATOM 589 C7 DT B 9 0.245 12.590 -5.919 1.00 0.24 C ATOM 590 C6 DT B 9 2.387 12.850 -7.109 1.00 0.21 C ATOM 0 H5' DT B 9 6.160 12.063 -4.408 1.00 0.21 H new ATOM 0 H5'' DT B 9 6.764 13.685 -4.131 1.00 0.21 H new ATOM 0 H4' DT B 9 7.071 13.111 -6.410 1.00 0.21 H new ATOM 0 H3' DT B 9 5.362 15.443 -5.696 1.00 0.24 H new ATOM 0 H2' DT B 9 3.635 14.896 -7.043 1.00 0.24 H new ATOM 0 H2'' DT B 9 4.741 15.360 -8.321 1.00 0.24 H new ATOM 0 H1' DT B 9 5.192 13.119 -8.916 1.00 0.24 H new ATOM 0 H3 DT B 9 1.175 11.460 -10.312 1.00 0.26 H new ATOM 0 H71 DT B 9 -0.792 12.746 -6.215 1.00 0.24 H new ATOM 0 H72 DT B 9 0.319 11.683 -5.319 1.00 0.24 H new ATOM 0 H73 DT B 9 0.587 13.442 -5.332 1.00 0.24 H new ATOM 0 H6 DT B 9 2.757 13.261 -6.181 1.00 0.21 H new ATOM 603 P DA B 10 7.091 16.796 -7.626 1.00 0.35 P ATOM 604 OP1 DA B 10 8.520 17.025 -7.935 1.00 0.46 O ATOM 605 OP2 DA B 10 6.352 17.762 -6.782 1.00 0.45 O ATOM 606 O5' DA B 10 6.286 16.625 -9.014 1.00 0.31 O ATOM 607 C5' DA B 10 6.702 15.750 -10.080 1.00 0.31 C ATOM 608 C4' DA B 10 5.615 15.675 -11.143 1.00 0.30 C ATOM 609 O4' DA B 10 4.428 15.131 -10.576 1.00 0.30 O ATOM 610 C3' DA B 10 5.180 17.071 -11.609 1.00 0.29 C ATOM 611 O3' DA B 10 5.934 17.586 -12.710 1.00 0.33 O ATOM 612 C2' DA B 10 3.694 16.914 -11.882 1.00 0.33 C ATOM 613 C1' DA B 10 3.405 15.472 -11.505 1.00 0.30 C ATOM 614 N9 DA B 10 2.145 15.259 -10.810 1.00 0.30 N ATOM 615 C8 DA B 10 1.846 15.585 -9.531 1.00 0.31 C ATOM 616 N7 DA B 10 0.639 15.241 -9.163 1.00 0.32 N ATOM 617 C5 DA B 10 0.116 14.641 -10.312 1.00 0.31 C ATOM 618 C6 DA B 10 -1.122 14.053 -10.619 1.00 0.33 C ATOM 619 N6 DA B 10 -2.145 13.940 -9.779 1.00 0.37 N ATOM 620 N1 DA B 10 -1.272 13.569 -11.857 1.00 0.36 N ATOM 621 C2 DA B 10 -0.285 13.651 -12.738 1.00 0.37 C ATOM 622 N3 DA B 10 0.913 14.174 -12.571 1.00 0.34 N ATOM 623 C4 DA B 10 1.040 14.655 -11.317 1.00 0.31 C ATOM 0 H5' DA B 10 6.907 14.755 -9.686 1.00 0.31 H new ATOM 0 H5'' DA B 10 7.629 16.115 -10.521 1.00 0.31 H new ATOM 0 H4' DA B 10 6.030 15.082 -11.958 1.00 0.30 H new ATOM 0 H3' DA B 10 5.376 17.833 -10.855 1.00 0.29 H new ATOM 0 H2' DA B 10 3.103 17.609 -11.286 1.00 0.33 H new ATOM 0 H2'' DA B 10 3.457 17.109 -12.928 1.00 0.33 H new ATOM 0 HO3' DA B 10 5.598 18.475 -12.949 1.00 0.33 H new ATOM 0 H1' DA B 10 3.360 14.886 -12.423 1.00 0.30 H new ATOM 0 H8 DA B 10 2.542 16.084 -8.873 1.00 0.31 H new ATOM 0 H61 DA B 10 -3.011 13.497 -10.086 1.00 0.37 H new ATOM 0 H62 DA B 10 -2.065 14.296 -8.827 1.00 0.37 H new ATOM 0 H2 DA B 10 -0.488 13.237 -13.715 1.00 0.37 H new TER 636 DA B 10 HETATM 637 C1 DDA A 11 6.981 5.214 -19.128 1.00 0.26 C HETATM 638 C2 DDA A 11 5.474 5.417 -19.308 1.00 0.23 C HETATM 639 C3 DDA A 11 4.721 4.101 -19.140 1.00 0.26 C HETATM 640 C4 DDA A 11 5.307 3.127 -20.157 1.00 0.32 C HETATM 641 C5 DDA A 11 6.818 2.946 -19.947 1.00 0.35 C HETATM 642 C6 DDA A 11 7.439 2.004 -20.994 1.00 0.51 C HETATM 643 O5 DDA A 11 7.455 4.227 -20.052 1.00 0.32 O HETATM 644 O1 DDA A 11 7.668 6.455 -19.303 1.00 0.28 O HETATM 645 O3 DDA A 11 3.335 4.268 -19.388 1.00 0.33 O HETATM 646 O4 DDA A 11 4.625 1.887 -20.110 1.00 0.44 O HETATM 0 HO4 DDA A 11 3.721 2.024 -19.756 1.00 0.44 H new HETATM 0 HO3 DDA A 11 3.187 5.110 -19.867 1.00 0.33 H new HETATM 0 H63 DDA A 11 6.967 1.024 -20.927 1.00 0.51 H new HETATM 0 H62 DDA A 11 7.282 2.415 -21.991 1.00 0.51 H new HETATM 0 H61 DDA A 11 8.508 1.906 -20.806 1.00 0.51 H new HETATM 0 H5 DDA A 11 6.969 2.505 -18.962 1.00 0.35 H new HETATM 0 H4 DDA A 11 5.167 3.549 -21.152 1.00 0.32 H new HETATM 0 H3 DDA A 11 4.828 3.734 -18.119 1.00 0.26 H new HETATM 0 H22 DDA A 11 5.112 6.143 -18.580 1.00 0.23 H new HETATM 0 H21 DDA A 11 5.275 5.830 -20.297 1.00 0.23 H new HETATM 0 H1 DDA A 11 7.178 4.858 -18.117 1.00 0.26 H new HETATM 658 C1 DDA A 12 7.839 8.350 -15.993 1.00 0.21 C HETATM 659 C2 DDA A 12 7.249 7.513 -17.134 1.00 0.20 C HETATM 660 C3 DDA A 12 8.295 7.022 -18.138 1.00 0.24 C HETATM 661 C4 DDA A 12 9.066 8.239 -18.575 1.00 0.27 C HETATM 662 C5 DDA A 12 9.681 8.926 -17.353 1.00 0.23 C HETATM 663 C6 DDA A 12 10.575 10.085 -17.672 1.00 0.28 C HETATM 664 O5 DDA A 12 8.628 9.399 -16.525 1.00 0.22 O HETATM 665 O1 DDA A 12 6.835 8.865 -15.110 1.00 0.19 O HETATM 666 O4 DDA A 12 10.041 7.911 -19.547 1.00 0.36 O HETATM 0 HO4 DDA A 12 9.738 7.137 -20.066 1.00 0.36 H new HETATM 0 H63 DDA A 12 11.404 9.745 -18.293 1.00 0.28 H new HETATM 0 H62 DDA A 12 10.008 10.845 -18.209 1.00 0.28 H new HETATM 0 H61 DDA A 12 10.965 10.509 -16.747 1.00 0.28 H new HETATM 0 H5 DDA A 12 10.304 8.176 -16.865 1.00 0.23 H new HETATM 0 H4 DDA A 12 8.380 8.940 -19.051 1.00 0.27 H new HETATM 0 H22 DDA A 12 6.731 6.652 -16.712 1.00 0.20 H new HETATM 0 H21 DDA A 12 6.503 8.107 -17.661 1.00 0.20 H new HETATM 0 H1 DDA A 12 8.468 7.691 -15.394 1.00 0.21 H new HETATM 677 C1 DDA A 14A 11.236 7.467 -5.275 1.00 0.22 C HETATM 678 C2 DDA A 14A 11.050 6.531 -4.083 1.00 0.23 C HETATM 679 C3 DDA A 14A 11.008 7.347 -2.806 1.00 0.23 C HETATM 680 C4 DDA A 14A 12.189 8.309 -2.655 1.00 0.25 C HETATM 681 C5 DDA A 14A 12.216 9.172 -3.924 1.00 0.24 C HETATM 682 C6 DDA A 14A 13.291 10.226 -4.016 1.00 0.29 C HETATM 683 O5 DDA A 14A 12.356 8.319 -5.054 1.00 0.23 O HETATM 684 O1 DDA A 14A 11.391 6.753 -6.501 1.00 0.23 O HETATM 685 O3 DDA A 14A 10.929 6.449 -1.698 1.00 0.25 O HETATM 686 O4 DDA A 14A 12.011 9.108 -1.502 1.00 0.30 O HETATM 0 HO4 DDA A 14A 11.513 8.601 -0.827 1.00 0.30 H new HETATM 0 H63 DDA A 14A 13.184 10.928 -3.189 1.00 0.29 H new HETATM 0 H62 DDA A 14A 14.271 9.752 -3.965 1.00 0.29 H new HETATM 0 H61 DDA A 14A 13.196 10.762 -4.961 1.00 0.29 H new HETATM 0 H5 DDA A 14A 11.275 9.721 -3.890 1.00 0.24 H new HETATM 0 H4 DDA A 14A 13.132 7.775 -2.537 1.00 0.25 H new HETATM 0 H3 DDA A 14A 10.126 7.986 -2.844 1.00 0.23 H new HETATM 0 H22 DDA A 14A 10.128 5.961 -4.194 1.00 0.23 H new HETATM 0 H21 DDA A 14A 11.867 5.811 -4.041 1.00 0.23 H new HETATM 0 H1 DDA A 14A 10.332 8.069 -5.365 1.00 0.22 H new HETATM 697 C1 DDL A 14B 9.777 6.619 -0.880 1.00 0.22 C HETATM 698 C2 DDL A 14B 9.227 5.279 -0.432 1.00 0.20 C HETATM 699 C3 DDL A 14B 7.986 5.491 0.387 1.00 0.17 C HETATM 700 C4 DDL A 14B 8.278 6.420 1.542 1.00 0.16 C HETATM 701 C5 DDL A 14B 8.927 7.710 1.053 1.00 0.20 C HETATM 702 C6 DDL A 14B 9.329 8.606 2.228 1.00 0.26 C HETATM 703 O5 DDL A 14B 10.074 7.427 0.255 1.00 0.23 O HETATM 704 O3 DDL A 14B 7.575 4.188 0.836 1.00 0.19 O HETATM 705 O4 DDL A 14B 9.074 5.781 2.527 1.00 0.22 O HETATM 0 HO4 DDL A 14B 8.977 4.809 2.446 1.00 0.22 H new HETATM 0 H63 DDL A 14B 8.444 8.861 2.811 1.00 0.26 H new HETATM 0 H62 DDL A 14B 10.041 8.077 2.862 1.00 0.26 H new HETATM 0 H61 DDL A 14B 9.789 9.518 1.849 1.00 0.26 H new HETATM 0 H5 DDL A 14B 8.191 8.238 0.447 1.00 0.20 H new HETATM 0 H4 DDL A 14B 7.329 6.682 2.009 1.00 0.16 H new HETATM 0 H3 DDL A 14B 7.189 5.960 -0.190 1.00 0.17 H new HETATM 0 H22 DDL A 14B 9.001 4.659 -1.300 1.00 0.20 H new HETATM 0 H21 DDL A 14B 9.975 4.745 0.154 1.00 0.20 H new HETATM 716 C1 DDA B 15 0.683 9.490 4.741 1.00 0.20 C HETATM 717 C2 DDA B 15 -0.350 8.612 5.446 1.00 0.25 C HETATM 718 C3 DDA B 15 -1.740 9.233 5.381 1.00 0.33 C HETATM 719 C4 DDA B 15 -1.641 10.604 6.040 1.00 0.35 C HETATM 720 C5 DDA B 15 -0.602 11.458 5.297 1.00 0.32 C HETATM 721 C6 DDA B 15 -0.450 12.862 5.891 1.00 0.43 C HETATM 722 O5 DDA B 15 0.671 10.797 5.329 1.00 0.25 O HETATM 723 O1 DDA B 15 1.978 8.899 4.846 1.00 0.19 O HETATM 724 O3 DDA B 15 -2.676 8.425 6.068 1.00 0.41 O HETATM 725 O4 DDA B 15 -2.909 11.233 6.069 1.00 0.50 O HETATM 0 HO4 DDA B 15 -3.613 10.553 6.021 1.00 0.50 H new HETATM 0 HO3 DDA B 15 -3.196 7.904 5.421 1.00 0.41 H new HETATM 0 H63 DDA B 15 -1.406 13.384 5.841 1.00 0.43 H new HETATM 0 H62 DDA B 15 -0.133 12.785 6.931 1.00 0.43 H new HETATM 0 H61 DDA B 15 0.297 13.418 5.325 1.00 0.43 H new HETATM 0 H5 DDA B 15 -0.958 11.573 4.273 1.00 0.32 H new HETATM 0 H4 DDA B 15 -1.313 10.488 7.073 1.00 0.35 H new HETATM 0 H3 DDA B 15 -2.079 9.318 4.349 1.00 0.33 H new HETATM 0 H22 DDA B 15 -0.368 7.625 4.984 1.00 0.25 H new HETATM 0 H21 DDA B 15 -0.061 8.471 6.487 1.00 0.25 H new HETATM 0 H1 DDA B 15 0.434 9.576 3.683 1.00 0.20 H new HETATM 737 C1 DDA B 16 4.343 8.672 1.915 1.00 0.14 C HETATM 738 C2 DDA B 16 3.165 8.303 2.806 1.00 0.14 C HETATM 739 C3 DDA B 16 2.955 9.352 3.894 1.00 0.17 C HETATM 740 C4 DDA B 16 4.265 9.579 4.643 1.00 0.21 C HETATM 741 C5 DDA B 16 5.401 9.900 3.671 1.00 0.20 C HETATM 742 C6 DDA B 16 6.717 10.121 4.397 1.00 0.29 C HETATM 743 O5 DDA B 16 5.519 8.823 2.723 1.00 0.20 O HETATM 744 O1 DDA B 16 4.434 7.651 0.915 1.00 0.17 O HETATM 745 O4 DDA B 16 4.101 10.613 5.598 1.00 0.29 O HETATM 0 HO4 DDA B 16 3.175 10.617 5.920 1.00 0.29 H new HETATM 0 H63 DDA B 16 6.614 10.955 5.091 1.00 0.29 H new HETATM 0 H62 DDA B 16 6.983 9.220 4.950 1.00 0.29 H new HETATM 0 H61 DDA B 16 7.499 10.347 3.672 1.00 0.29 H new HETATM 0 H5 DDA B 16 5.166 10.829 3.151 1.00 0.20 H new HETATM 0 H4 DDA B 16 4.533 8.662 5.168 1.00 0.21 H new HETATM 0 H22 DDA B 16 2.262 8.213 2.203 1.00 0.14 H new HETATM 0 H21 DDA B 16 3.341 7.329 3.263 1.00 0.14 H new HETATM 0 H1 DDA B 16 4.220 9.629 1.408 1.00 0.14 H new HETATM 756 C1 DDA B 18A 9.805 12.151 -7.277 1.00 0.20 C HETATM 757 C2 DDA B 18A 9.214 12.796 -8.517 1.00 0.21 C HETATM 758 C3 DDA B 18A 9.851 12.170 -9.769 1.00 0.20 C HETATM 759 C4 DDA B 18A 11.368 12.320 -9.587 1.00 0.22 C HETATM 760 C5 DDA B 18A 11.865 11.651 -8.301 1.00 0.22 C HETATM 761 C6 DDA B 18A 13.340 11.727 -7.989 1.00 0.27 C HETATM 762 O5 DDA B 18A 11.208 12.287 -7.223 1.00 0.20 O HETATM 763 O1 DDA B 18A 9.209 12.586 -6.070 1.00 0.19 O HETATM 764 O3 DDA B 18A 9.352 12.867 -10.927 1.00 0.24 O HETATM 765 O4 DDA B 18A 12.118 11.843 -10.685 1.00 0.28 O HETATM 0 HO4 DDA B 18A 11.765 12.228 -11.514 1.00 0.28 H new HETATM 0 H63 DDA B 18A 13.906 11.255 -8.792 1.00 0.27 H new HETATM 0 H62 DDA B 18A 13.640 12.771 -7.899 1.00 0.27 H new HETATM 0 H61 DDA B 18A 13.540 11.210 -7.050 1.00 0.27 H new HETATM 0 H5 DDA B 18A 11.652 10.592 -8.448 1.00 0.22 H new HETATM 0 H4 DDA B 18A 11.532 13.395 -9.517 1.00 0.22 H new HETATM 0 H3 DDA B 18A 9.608 11.116 -9.906 1.00 0.20 H new HETATM 0 H22 DDA B 18A 8.133 12.654 -8.535 1.00 0.21 H new HETATM 0 H21 DDA B 18A 9.394 13.871 -8.502 1.00 0.21 H new HETATM 0 H1 DDA B 18A 9.570 11.091 -7.372 1.00 0.20 H new HETATM 776 C1 DDL B 18B 9.267 12.119 -12.149 1.00 0.24 C HETATM 777 C2 DDL B 18B 8.221 12.761 -13.066 1.00 0.26 C HETATM 778 C3 DDL B 18B 8.198 12.144 -14.450 1.00 0.22 C HETATM 779 C4 DDL B 18B 9.577 12.208 -15.036 1.00 0.24 C HETATM 780 C5 DDL B 18B 10.562 11.484 -14.116 1.00 0.23 C HETATM 781 C6 DDL B 18B 12.012 11.525 -14.587 1.00 0.30 C HETATM 782 O5 DDL B 18B 10.530 12.094 -12.818 1.00 0.26 O HETATM 783 O3 DDL B 18B 7.282 12.871 -15.279 1.00 0.26 O HETATM 784 O4 DDL B 18B 9.981 13.545 -15.283 1.00 0.31 O HETATM 0 HO4 DDL B 18B 9.189 14.106 -15.418 1.00 0.31 H new HETATM 0 H63 DDL B 18B 12.090 11.055 -15.567 1.00 0.30 H new HETATM 0 H62 DDL B 18B 12.344 12.561 -14.654 1.00 0.30 H new HETATM 0 H61 DDL B 18B 12.641 10.988 -13.877 1.00 0.30 H new HETATM 0 H5 DDL B 18B 10.242 10.442 -14.110 1.00 0.23 H new HETATM 0 H4 DDL B 18B 9.566 11.704 -16.002 1.00 0.24 H new HETATM 0 H3 DDL B 18B 7.877 11.104 -14.389 1.00 0.22 H new HETATM 0 H22 DDL B 18B 7.235 12.661 -12.612 1.00 0.26 H new HETATM 0 H21 DDL B 18B 8.425 13.828 -13.152 1.00 0.26 H new HETATM 795 C1 DDA B 21 -13.584 -4.292 -11.839 1.00 0.25 C HETATM 796 C2 DDA B 21 -12.471 -4.560 -12.855 1.00 0.26 C HETATM 797 C3 DDA B 21 -11.808 -3.260 -13.295 1.00 0.27 C HETATM 798 C4 DDA B 21 -12.913 -2.370 -13.856 1.00 0.32 C HETATM 799 C5 DDA B 21 -14.010 -2.121 -12.809 1.00 0.38 C HETATM 800 C6 DDA B 21 -15.161 -1.265 -13.370 1.00 0.52 C HETATM 801 O5 DDA B 21 -14.545 -3.386 -12.391 1.00 0.35 O HETATM 802 O1 DDA B 21 -14.201 -5.522 -11.450 1.00 0.25 O HETATM 803 O3 DDA B 21 -10.836 -3.493 -14.299 1.00 0.35 O HETATM 804 O4 DDA B 21 -12.376 -1.154 -14.344 1.00 0.40 O HETATM 0 HO4 DDA B 21 -11.439 -1.289 -14.599 1.00 0.40 H new HETATM 0 HO3 DDA B 21 -10.994 -4.368 -14.710 1.00 0.35 H new HETATM 0 H63 DDA B 21 -14.773 -0.299 -13.691 1.00 0.52 H new HETATM 0 H62 DDA B 21 -15.613 -1.775 -14.221 1.00 0.52 H new HETATM 0 H61 DDA B 21 -15.913 -1.114 -12.596 1.00 0.52 H new HETATM 0 H5 DDA B 21 -13.561 -1.582 -11.975 1.00 0.38 H new HETATM 0 H4 DDA B 21 -13.377 -2.890 -14.694 1.00 0.32 H new HETATM 0 H3 DDA B 21 -11.301 -2.794 -12.450 1.00 0.27 H new HETATM 0 H22 DDA B 21 -11.725 -5.222 -12.416 1.00 0.26 H new HETATM 0 H21 DDA B 21 -12.883 -5.074 -13.723 1.00 0.26 H new HETATM 0 H1 DDA B 21 -13.154 -3.832 -10.949 1.00 0.25 H new HETATM 816 C1 DDA B 22 -12.315 -7.081 -8.518 1.00 0.20 C HETATM 817 C2 DDA B 22 -12.545 -6.377 -9.861 1.00 0.18 C HETATM 818 C3 DDA B 22 -13.997 -5.953 -10.092 1.00 0.21 C HETATM 819 C4 DDA B 22 -14.838 -7.181 -9.866 1.00 0.26 C HETATM 820 C5 DDA B 22 -14.585 -7.726 -8.458 1.00 0.24 C HETATM 821 C6 DDA B 22 -15.457 -8.880 -8.070 1.00 0.29 C HETATM 822 O5 DDA B 22 -13.233 -8.151 -8.374 1.00 0.24 O HETATM 823 O1 DDA B 22 -10.968 -7.541 -8.359 1.00 0.22 O HETATM 824 O4 DDA B 22 -16.209 -6.917 -10.097 1.00 0.35 O HETATM 0 HO4 DDA B 22 -16.301 -6.302 -10.854 1.00 0.35 H new HETATM 0 H63 DDA B 22 -16.503 -8.574 -8.107 1.00 0.29 H new HETATM 0 H62 DDA B 22 -15.296 -9.707 -8.762 1.00 0.29 H new HETATM 0 H61 DDA B 22 -15.208 -9.200 -7.058 1.00 0.29 H new HETATM 0 H5 DDA B 22 -14.819 -6.912 -7.772 1.00 0.24 H new HETATM 0 H4 DDA B 22 -14.548 -7.947 -10.585 1.00 0.26 H new HETATM 0 H22 DDA B 22 -11.906 -5.496 -9.913 1.00 0.18 H new HETATM 0 H21 DDA B 22 -12.237 -7.043 -10.668 1.00 0.18 H new HETATM 0 H1 DDA B 22 -12.485 -6.347 -7.730 1.00 0.20 H new HETATM 835 C1 DDA B 24A -8.720 -5.054 1.977 1.00 0.21 C HETATM 836 C2 DDA B 24A -7.894 -4.014 2.729 1.00 0.22 C HETATM 837 C3 DDA B 24A -7.076 -4.704 3.804 1.00 0.22 C HETATM 838 C4 DDA B 24A -7.907 -5.608 4.718 1.00 0.22 C HETATM 839 C5 DDA B 24A -8.654 -6.588 3.803 1.00 0.23 C HETATM 840 C6 DDA B 24A -9.539 -7.611 4.470 1.00 0.28 C HETATM 841 O5 DDA B 24A -9.463 -5.845 2.899 1.00 0.22 O HETATM 842 O1 DDA B 24A -9.593 -4.457 1.020 1.00 0.22 O HETATM 843 O3 DDA B 24A -6.383 -3.706 4.555 1.00 0.23 O HETATM 844 O4 DDA B 24A -7.053 -6.297 5.611 1.00 0.25 O HETATM 0 HO4 DDA B 24A -6.253 -5.757 5.781 1.00 0.25 H new HETATM 0 H63 DDA B 24A -8.939 -8.232 5.136 1.00 0.28 H new HETATM 0 H62 DDA B 24A -10.312 -7.103 5.046 1.00 0.28 H new HETATM 0 H61 DDA B 24A -10.006 -8.238 3.711 1.00 0.28 H new HETATM 0 H5 DDA B 24A -7.860 -7.161 3.324 1.00 0.23 H new HETATM 0 H4 DDA B 24A -8.613 -5.036 5.319 1.00 0.22 H new HETATM 0 H3 DDA B 24A -6.368 -5.372 3.313 1.00 0.22 H new HETATM 0 H22 DDA B 24A -7.236 -3.487 2.038 1.00 0.22 H new HETATM 0 H21 DDA B 24A -8.549 -3.268 3.178 1.00 0.22 H new HETATM 0 H1 DDA B 24A -8.027 -5.691 1.428 1.00 0.21 H new HETATM 855 C1 DDL B 24B -4.967 -3.832 4.542 1.00 0.20 C HETATM 856 C2 DDL B 24B -4.302 -2.475 4.445 1.00 0.18 C HETATM 857 C3 DDL B 24B -2.810 -2.645 4.384 1.00 0.14 C HETATM 858 C4 DDL B 24B -2.329 -3.449 5.569 1.00 0.15 C HETATM 859 C5 DDL B 24B -3.101 -4.758 5.690 1.00 0.19 C HETATM 860 C6 DDL B 24B -2.700 -5.524 6.953 1.00 0.24 C HETATM 861 O5 DDL B 24B -4.507 -4.517 5.705 1.00 0.20 O HETATM 862 O3 DDL B 24B -2.254 -1.319 4.373 1.00 0.17 O HETATM 863 O4 DDL B 24B -2.406 -2.692 6.768 1.00 0.21 O HETATM 0 HO4 DDL B 24B -2.327 -1.738 6.558 1.00 0.21 H new HETATM 0 H63 DDL B 24B -1.635 -5.752 6.918 1.00 0.24 H new HETATM 0 H62 DDL B 24B -2.912 -4.914 7.831 1.00 0.24 H new HETATM 0 H61 DDL B 24B -3.268 -6.453 7.011 1.00 0.24 H new HETATM 0 H5 DDL B 24B -2.851 -5.365 4.820 1.00 0.19 H new HETATM 0 H4 DDL B 24B -1.280 -3.696 5.403 1.00 0.15 H new HETATM 0 H3 DDL B 24B -2.497 -3.192 3.495 1.00 0.14 H new HETATM 0 H22 DDL B 24B -4.654 -1.949 3.558 1.00 0.18 H new HETATM 0 H21 DDL B 24B -4.573 -1.864 5.306 1.00 0.18 H new HETATM 874 C1 DDA A 25 5.775 -6.436 3.920 1.00 0.24 C HETATM 875 C2 DDA A 25 6.997 -5.527 3.786 1.00 0.26 C HETATM 876 C3 DDA A 25 8.095 -6.197 2.969 1.00 0.34 C HETATM 877 C4 DDA A 25 8.450 -7.494 3.687 1.00 0.34 C HETATM 878 C5 DDA A 25 7.200 -8.382 3.794 1.00 0.34 C HETATM 879 C6 DDA A 25 7.474 -9.716 4.495 1.00 0.44 C HETATM 880 O5 DDA A 25 6.174 -7.680 4.510 1.00 0.30 O HETATM 881 O1 DDA A 25 4.777 -5.798 4.716 1.00 0.23 O HETATM 882 O3 DDA A 25 9.231 -5.357 2.885 1.00 0.38 O HETATM 883 O4 DDA A 25 9.507 -8.158 3.021 1.00 0.47 O HETATM 0 HO4 DDA A 25 10.033 -7.507 2.512 1.00 0.47 H new HETATM 0 HO3 DDA A 25 9.249 -4.918 2.009 1.00 0.38 H new HETATM 0 H63 DDA A 25 8.229 -10.271 3.938 1.00 0.44 H new HETATM 0 H62 DDA A 25 7.835 -9.528 5.506 1.00 0.44 H new HETATM 0 H61 DDA A 25 6.554 -10.299 4.540 1.00 0.44 H new HETATM 0 H5 DDA A 25 6.882 -8.607 2.776 1.00 0.34 H new HETATM 0 H4 DDA A 25 8.796 -7.267 4.695 1.00 0.34 H new HETATM 0 H3 DDA A 25 7.757 -6.393 1.951 1.00 0.34 H new HETATM 0 H22 DDA A 25 6.706 -4.590 3.310 1.00 0.26 H new HETATM 0 H21 DDA A 25 7.378 -5.277 4.776 1.00 0.26 H new HETATM 0 H1 DDA A 25 5.352 -6.630 2.934 1.00 0.24 H new HETATM 895 C1 DDA A 26 1.128 -5.779 3.754 1.00 0.16 C HETATM 896 C2 DDA A 26 2.593 -5.363 3.731 1.00 0.15 C HETATM 897 C3 DDA A 26 3.440 -6.308 4.579 1.00 0.17 C HETATM 898 C4 DDA A 26 2.837 -6.420 5.976 1.00 0.21 C HETATM 899 C5 DDA A 26 1.358 -6.796 5.904 1.00 0.19 C HETATM 900 C6 DDA A 26 0.737 -6.902 7.286 1.00 0.28 C HETATM 901 O5 DDA A 26 0.666 -5.812 5.111 1.00 0.17 O HETATM 902 O1 DDA A 26 0.430 -4.856 2.908 1.00 0.19 O HETATM 903 O4 DDA A 26 3.568 -7.360 6.743 1.00 0.30 O HETATM 0 HO4 DDA A 26 4.513 -7.328 6.485 1.00 0.30 H new HETATM 0 H63 DDA A 26 1.258 -7.668 7.861 1.00 0.28 H new HETATM 0 H62 DDA A 26 0.822 -5.943 7.798 1.00 0.28 H new HETATM 0 H61 DDA A 26 -0.315 -7.171 7.192 1.00 0.28 H new HETATM 0 H5 DDA A 26 1.268 -7.778 5.439 1.00 0.19 H new HETATM 0 H4 DDA A 26 2.903 -5.448 6.465 1.00 0.21 H new HETATM 0 H22 DDA A 26 2.959 -5.362 2.704 1.00 0.15 H new HETATM 0 H21 DDA A 26 2.692 -4.344 4.105 1.00 0.15 H new HETATM 0 H1 DDA A 26 0.956 -6.785 3.370 1.00 0.16 H new HETATM 914 C1 DDA A 28A -8.607 -9.954 -0.016 1.00 0.18 C HETATM 915 C2 DDA A 28A -8.848 -10.735 -1.296 1.00 0.18 C HETATM 916 C3 DDA A 28A -10.122 -10.213 -1.979 1.00 0.19 C HETATM 917 C4 DDA A 28A -11.230 -10.294 -0.919 1.00 0.22 C HETATM 918 C5 DDA A 28A -10.889 -9.488 0.339 1.00 0.23 C HETATM 919 C6 DDA A 28A -11.887 -9.487 1.470 1.00 0.30 C HETATM 920 O5 DDA A 28A -9.701 -10.037 0.871 1.00 0.22 O HETATM 921 O1 DDA A 28A -7.399 -10.289 0.636 1.00 0.22 O HETATM 922 O3 DDA A 28A -10.386 -11.034 -3.133 1.00 0.22 O HETATM 923 O4 DDA A 28A -12.499 -9.902 -1.398 1.00 0.27 O HETATM 0 HO4 DDA A 28A -12.681 -10.353 -2.249 1.00 0.27 H new HETATM 0 H63 DDA A 28A -12.834 -9.077 1.119 1.00 0.30 H new HETATM 0 H62 DDA A 28A -12.041 -10.508 1.820 1.00 0.30 H new HETATM 0 H61 DDA A 28A -11.508 -8.875 2.289 1.00 0.30 H new HETATM 0 H5 DDA A 28A -10.840 -8.455 -0.006 1.00 0.23 H new HETATM 0 H4 DDA A 28A -11.286 -11.352 -0.661 1.00 0.22 H new HETATM 0 H3 DDA A 28A -10.041 -9.186 -2.335 1.00 0.19 H new HETATM 0 H22 DDA A 28A -7.994 -10.630 -1.965 1.00 0.18 H new HETATM 0 H21 DDA A 28A -8.950 -11.797 -1.073 1.00 0.18 H new HETATM 0 H1 DDA A 28A -8.506 -8.916 -0.333 1.00 0.18 H new HETATM 934 C1 DDL A 28B -11.066 -10.412 -4.234 1.00 0.22 C HETATM 935 C2 DDL A 28B -10.749 -11.172 -5.524 1.00 0.24 C HETATM 936 C3 DDL A 28B -11.570 -10.694 -6.703 1.00 0.22 C HETATM 937 C4 DDL A 28B -13.025 -10.769 -6.347 1.00 0.25 C HETATM 938 C5 DDL A 28B -13.294 -9.928 -5.099 1.00 0.24 C HETATM 939 C6 DDL A 28B -14.738 -9.967 -4.612 1.00 0.29 C HETATM 940 O5 DDL A 28B -12.480 -10.410 -4.021 1.00 0.25 O HETATM 941 O3 DDL A 28B -11.301 -11.528 -7.839 1.00 0.26 O HETATM 942 O4 DDL A 28B -13.454 -12.110 -6.175 1.00 0.32 O HETATM 0 HO4 DDL A 28B -12.921 -12.700 -6.747 1.00 0.32 H new HETATM 0 H63 DDL A 28B -15.396 -9.592 -5.395 1.00 0.29 H new HETATM 0 H62 DDL A 28B -15.012 -10.993 -4.368 1.00 0.29 H new HETATM 0 H61 DDL A 28B -14.839 -9.344 -3.724 1.00 0.29 H new HETATM 0 H5 DDL A 28B -13.065 -8.902 -5.386 1.00 0.24 H new HETATM 0 H4 DDL A 28B -13.606 -10.361 -7.174 1.00 0.25 H new HETATM 0 H3 DDL A 28B -11.309 -9.664 -6.947 1.00 0.22 H new HETATM 0 H22 DDL A 28B -9.690 -11.060 -5.755 1.00 0.24 H new HETATM 0 H21 DDL A 28B -10.931 -12.235 -5.368 1.00 0.24 H new HETATM 953 MG MG A 19 6.851 8.470 -6.942 1.00 0.23 MG HETATM 954 MG MG B 29 -6.149 -6.355 -1.858 1.00 0.21 MG HETATM 955 C1 CRH A 13 9.870 7.873 -8.008 1.00 0.19 C HETATM 956 C2 CRH A 13 11.338 7.598 -7.654 1.00 0.19 C HETATM 957 C3 CRH A 13 12.157 7.123 -8.879 1.00 0.20 C HETATM 958 C4 CRH A 13 11.938 8.101 -9.998 1.00 0.20 C HETATM 959 C5 CRH A 13 8.500 8.718 -13.323 1.00 0.17 C HETATM 960 C6 CRH A 13 7.199 8.907 -13.766 1.00 0.17 C HETATM 961 C7 CRH A 13 6.192 9.000 -12.816 1.00 0.18 C HETATM 962 C8 CRH A 13 6.488 8.882 -11.465 1.00 0.20 C HETATM 963 C9 CRH A 13 8.151 8.471 -9.680 1.00 0.19 C HETATM 964 C10 CRH A 13 10.116 8.387 -11.625 1.00 0.17 C HETATM 965 C11 CRH A 13 8.807 8.609 -11.987 1.00 0.18 C HETATM 966 C12 CRH A 13 7.803 8.669 -11.023 1.00 0.19 C HETATM 967 C13 CRH A 13 9.488 8.222 -9.302 1.00 0.18 C HETATM 968 C14 CRH A 13 10.455 8.198 -10.312 1.00 0.17 C HETATM 969 C15 CRH A 13 4.833 9.495 -13.277 1.00 0.20 C HETATM 970 O1 CRH A 13 9.018 7.770 -7.127 1.00 0.21 O HETATM 971 O8 CRH A 13 5.438 8.994 -10.581 1.00 0.25 O HETATM 972 O9 CRH A 13 7.133 8.516 -8.750 1.00 0.24 O HETATM 973 C1' CRH A 13 13.633 6.974 -8.488 1.00 0.28 C HETATM 974 C2' CRH A 13 14.460 6.363 -9.627 1.00 0.28 C HETATM 975 C3' CRH A 13 15.264 7.244 -10.598 1.00 0.41 C HETATM 976 C4' CRH A 13 16.743 6.818 -10.725 1.00 0.58 C HETATM 977 C1M CRH A 13 15.226 7.899 -6.890 1.00 0.46 C HETATM 978 C4M CRH A 13 16.959 5.447 -11.353 1.00 0.60 C HETATM 979 O1' CRH A 13 14.232 8.123 -7.884 1.00 0.37 O HETATM 980 O2' CRH A 13 14.438 5.142 -9.784 1.00 0.56 O HETATM 981 O3' CRH A 13 15.340 8.623 -10.217 1.00 0.69 O HETATM 982 O4' CRH A 13 17.306 7.697 -11.689 1.00 0.86 O HETATM 0 H4'3 CRH A 13 16.464 4.688 -10.748 1.00 0.60 H new HETATM 0 H4'2 CRH A 13 16.541 5.438 -12.360 1.00 0.60 H new HETATM 0 H4'1 CRH A 13 18.027 5.233 -11.401 1.00 0.60 H new HETATM 0 H153 CRH A 13 4.932 10.499 -13.689 1.00 0.20 H new HETATM 0 H152 CRH A 13 4.443 8.826 -14.044 1.00 0.20 H new HETATM 0 H151 CRH A 13 4.147 9.516 -12.430 1.00 0.20 H new HETATM 0 H1'3 CRH A 13 14.794 7.332 -6.065 1.00 0.46 H new HETATM 0 H1'2 CRH A 13 16.053 7.337 -7.323 1.00 0.46 H new HETATM 0 H1'1 CRH A 13 15.592 8.856 -6.520 1.00 0.46 H new HETATM 0 HO8 CRH A 13 5.762 8.849 -9.668 1.00 0.25 H new HETATM 0 HO4 CRH A 13 16.912 8.589 -11.589 1.00 0.86 H new HETATM 0 HO3 CRH A 13 15.039 8.723 -9.290 1.00 0.69 H new HETATM 0 H5 CRH A 13 9.304 8.654 -14.057 1.00 0.17 H new HETATM 0 H42 CRH A 13 12.325 9.081 -9.718 1.00 0.20 H new HETATM 0 H41 CRH A 13 12.487 7.783 -10.884 1.00 0.20 H new HETATM 0 H4' CRH A 13 17.162 6.823 -9.719 1.00 0.58 H new HETATM 0 H3' CRH A 13 14.708 7.114 -11.527 1.00 0.41 H new HETATM 0 H3 CRH A 13 11.829 6.142 -9.222 1.00 0.20 H new HETATM 0 H22 CRH A 13 11.788 8.504 -7.248 1.00 0.19 H new HETATM 0 H10 CRH A 13 10.891 8.361 -12.391 1.00 0.17 H new HETATM 0 H1' CRH A 13 13.639 6.256 -7.668 1.00 0.28 H new HETATM 1004 C1 MDA A 29C 6.183 4.024 0.983 1.00 0.18 C HETATM 1005 C2 MDA A 29C 5.719 2.685 0.411 1.00 0.16 C HETATM 1006 C3 MDA A 29C 4.197 2.679 0.325 1.00 0.17 C HETATM 1007 C4 MDA A 29C 3.714 2.894 1.788 1.00 0.18 C HETATM 1008 C5 MDA A 29C 4.274 4.221 2.374 1.00 0.20 C HETATM 1009 C6 MDA A 29C 3.878 4.579 3.806 1.00 0.26 C HETATM 1010 C3' MDA A 29C 3.721 1.395 -0.384 1.00 0.22 C HETATM 1011 O5 MDA A 29C 5.705 4.204 2.308 1.00 0.21 O HETATM 1012 O3 MDA A 29C 3.767 3.753 -0.487 1.00 0.20 O HETATM 1013 O4 MDA A 29C 2.299 2.892 1.866 1.00 0.21 O HETATM 0 H3'3 MDA A 29C 4.139 1.358 -1.390 1.00 0.22 H new HETATM 0 H3'2 MDA A 29C 4.054 0.523 0.180 1.00 0.22 H new HETATM 0 H3'1 MDA A 29C 2.633 1.394 -0.444 1.00 0.22 H new HETATM 0 HO4 MDA A 29C 2.023 2.867 2.806 1.00 0.21 H new HETATM 0 HO3 MDA A 29C 4.004 3.573 -1.421 1.00 0.20 H new HETATM 0 H63 MDA A 29C 2.794 4.669 3.872 1.00 0.26 H new HETATM 0 H62 MDA A 29C 4.219 3.797 4.484 1.00 0.26 H new HETATM 0 H61 MDA A 29C 4.338 5.527 4.085 1.00 0.26 H new HETATM 0 H5 MDA A 29C 3.813 4.987 1.750 1.00 0.20 H new HETATM 0 H4 MDA A 29C 4.096 2.063 2.380 1.00 0.18 H new HETATM 0 H22 MDA A 29C 6.152 2.528 -0.577 1.00 0.16 H new HETATM 0 H21 MDA A 29C 6.063 1.867 1.043 1.00 0.16 H new HETATM 1027 C1 CRH B 17 8.528 10.586 -4.995 1.00 0.21 C HETATM 1028 C2 CRH B 17 9.526 11.751 -4.955 1.00 0.20 C HETATM 1029 C3 CRH B 17 9.485 12.519 -3.621 1.00 0.20 C HETATM 1030 C4 CRH B 17 9.467 11.583 -2.463 1.00 0.21 C HETATM 1031 C5 CRH B 17 6.012 8.970 -0.308 1.00 0.15 C HETATM 1032 C6 CRH B 17 5.021 8.007 -0.285 1.00 0.15 C HETATM 1033 C7 CRH B 17 4.673 7.372 -1.472 1.00 0.15 C HETATM 1034 C8 CRH B 17 5.322 7.693 -2.651 1.00 0.14 C HETATM 1035 C9 CRH B 17 6.971 9.071 -3.854 1.00 0.17 C HETATM 1036 C10 CRH B 17 7.615 10.295 -1.456 1.00 0.16 C HETATM 1037 C11 CRH B 17 6.655 9.307 -1.480 1.00 0.15 C HETATM 1038 C12 CRH B 17 6.321 8.674 -2.682 1.00 0.15 C HETATM 1039 C13 CRH B 17 7.947 10.084 -3.835 1.00 0.17 C HETATM 1040 C14 CRH B 17 8.256 10.673 -2.607 1.00 0.17 C HETATM 1041 C15 CRH B 17 3.431 6.503 -1.562 1.00 0.14 C HETATM 1042 O1 CRH B 17 8.202 10.112 -6.083 1.00 0.25 O HETATM 1043 O8 CRH B 17 4.959 6.939 -3.753 1.00 0.20 O HETATM 1044 O9 CRH B 17 6.607 8.433 -5.025 1.00 0.22 O HETATM 1045 C1' CRH B 17 10.617 13.541 -3.661 1.00 0.26 C HETATM 1046 C2' CRH B 17 10.629 14.483 -2.453 1.00 0.26 C HETATM 1047 C3' CRH B 17 10.098 15.892 -2.671 1.00 0.30 C HETATM 1048 C4' CRH B 17 8.603 15.772 -2.987 1.00 0.32 C HETATM 1049 C1M CRH B 17 12.619 14.111 -4.783 1.00 0.42 C HETATM 1050 C4M CRH B 17 7.732 15.278 -1.838 1.00 0.37 C HETATM 1051 O1' CRH B 17 11.937 13.136 -4.001 1.00 0.37 O HETATM 1052 O2' CRH B 17 11.023 14.114 -1.344 1.00 0.37 O HETATM 1053 O3' CRH B 17 10.647 16.486 -3.849 1.00 0.44 O HETATM 1054 O4' CRH B 17 8.121 17.087 -3.241 1.00 0.49 O HETATM 0 H4'3 CRH B 17 8.063 14.286 -1.531 1.00 0.37 H new HETATM 0 H4'2 CRH B 17 7.816 15.966 -0.996 1.00 0.37 H new HETATM 0 H4'1 CRH B 17 6.693 15.229 -2.164 1.00 0.37 H new HETATM 0 H153 CRH B 17 3.510 5.681 -0.850 1.00 0.14 H new HETATM 0 H152 CRH B 17 2.550 7.102 -1.329 1.00 0.14 H new HETATM 0 H151 CRH B 17 3.340 6.102 -2.571 1.00 0.14 H new HETATM 0 H1'3 CRH B 17 12.071 14.283 -5.709 1.00 0.42 H new HETATM 0 H1'2 CRH B 17 12.687 15.044 -4.223 1.00 0.42 H new HETATM 0 H1'1 CRH B 17 13.622 13.754 -5.016 1.00 0.42 H new HETATM 0 HO8 CRH B 17 5.346 7.335 -4.562 1.00 0.20 H new HETATM 0 HO4 CRH B 17 7.164 17.050 -3.450 1.00 0.49 H new HETATM 0 HO3 CRH B 17 10.012 17.137 -4.213 1.00 0.44 H new HETATM 0 H5 CRH B 17 6.291 9.473 0.618 1.00 0.15 H new HETATM 0 H42 CRH B 17 10.384 10.994 -2.436 1.00 0.21 H new HETATM 0 H41 CRH B 17 9.416 12.138 -1.526 1.00 0.21 H new HETATM 0 H4' CRH B 17 8.534 15.059 -3.809 1.00 0.32 H new HETATM 0 H3' CRH B 17 10.340 16.480 -1.785 1.00 0.30 H new HETATM 0 H3 CRH B 17 8.560 13.078 -3.481 1.00 0.20 H new HETATM 0 H22 CRH B 17 10.533 11.368 -5.119 1.00 0.20 H new HETATM 0 H10 CRH B 17 7.867 10.780 -0.513 1.00 0.16 H new HETATM 0 H1' CRH B 17 10.313 14.073 -4.562 1.00 0.26 H new HETATM 1076 C1 MDA A 18C 6.128 12.128 -15.634 1.00 0.23 C HETATM 1077 C2 MDA A 18C 4.844 12.940 -15.452 1.00 0.26 C HETATM 1078 C3 MDA A 18C 3.603 12.164 -15.865 1.00 0.29 C HETATM 1079 C4 MDA A 18C 3.818 11.528 -17.233 1.00 0.29 C HETATM 1080 C5 MDA A 18C 5.132 10.729 -17.269 1.00 0.25 C HETATM 1081 C6 MDA A 18C 5.333 10.121 -18.644 1.00 0.32 C HETATM 1082 C3' MDA A 18C 2.422 13.135 -15.933 1.00 0.33 C HETATM 1083 O5 MDA A 18C 6.209 11.612 -16.962 1.00 0.25 O HETATM 1084 O3 MDA A 18C 3.395 11.166 -14.908 1.00 0.30 O HETATM 1085 O4 MDA A 18C 2.711 10.717 -17.605 1.00 0.33 O HETATM 0 H3'3 MDA A 18C 2.267 13.589 -14.954 1.00 0.33 H new HETATM 0 H3'2 MDA A 18C 2.633 13.914 -16.665 1.00 0.33 H new HETATM 0 H3'1 MDA A 18C 1.523 12.594 -16.228 1.00 0.33 H new HETATM 0 HO4 MDA A 18C 2.620 10.716 -18.581 1.00 0.33 H new HETATM 0 HO3 MDA A 18C 2.506 11.274 -14.510 1.00 0.30 H new HETATM 0 H63 MDA A 18C 4.502 9.454 -18.872 1.00 0.32 H new HETATM 0 H62 MDA A 18C 5.376 10.915 -19.390 1.00 0.32 H new HETATM 0 H61 MDA A 18C 6.266 9.557 -18.660 1.00 0.32 H new HETATM 0 H5 MDA A 18C 5.095 9.921 -16.538 1.00 0.25 H new HETATM 0 H4 MDA A 18C 3.896 12.332 -17.965 1.00 0.29 H new HETATM 0 H22 MDA A 18C 4.751 13.239 -14.408 1.00 0.26 H new HETATM 0 H21 MDA A 18C 4.910 13.855 -16.041 1.00 0.26 H new HETATM 1099 C1 CRH B 23 -9.229 -5.767 -0.977 1.00 0.20 C HETATM 1100 C2 CRH B 23 -10.209 -5.412 0.150 1.00 0.20 C HETATM 1101 C3 CRH B 23 -11.609 -5.031 -0.391 1.00 0.20 C HETATM 1102 C4 CRH B 23 -12.065 -6.121 -1.320 1.00 0.19 C HETATM 1103 C5 CRH B 23 -11.253 -7.167 -5.957 1.00 0.17 C HETATM 1104 C6 CRH B 23 -10.462 -7.440 -7.065 1.00 0.19 C HETATM 1105 C7 CRH B 23 -9.086 -7.473 -6.892 1.00 0.19 C HETATM 1106 C8 CRH B 23 -8.527 -7.215 -5.648 1.00 0.19 C HETATM 1107 C9 CRH B 23 -8.820 -6.580 -3.277 1.00 0.20 C HETATM 1108 C10 CRH B 23 -11.555 -6.621 -3.674 1.00 0.18 C HETATM 1109 C11 CRH B 23 -10.711 -6.919 -4.717 1.00 0.17 C HETATM 1110 C12 CRH B 23 -9.329 -6.918 -4.537 1.00 0.19 C HETATM 1111 C13 CRH B 23 -9.678 -6.252 -2.206 1.00 0.19 C HETATM 1112 C14 CRH B 23 -11.055 -6.295 -2.441 1.00 0.18 C HETATM 1113 C15 CRH B 23 -8.250 -8.053 -8.019 1.00 0.23 C HETATM 1114 O1 CRH B 23 -8.024 -5.608 -0.789 1.00 0.23 O HETATM 1115 O8 CRH B 23 -7.154 -7.274 -5.555 1.00 0.25 O HETATM 1116 O9 CRH B 23 -7.447 -6.568 -3.132 1.00 0.27 O HETATM 1117 C1' CRH B 23 -12.570 -4.798 0.783 1.00 0.27 C HETATM 1118 C2' CRH B 23 -13.930 -4.274 0.304 1.00 0.26 C HETATM 1119 C3' CRH B 23 -15.125 -5.219 0.089 1.00 0.41 C HETATM 1120 C4' CRH B 23 -16.404 -4.760 0.824 1.00 0.57 C HETATM 1121 C1M CRH B 23 -12.874 -5.512 3.095 1.00 0.49 C HETATM 1122 C4M CRH B 23 -16.992 -3.450 0.317 1.00 0.58 C HETATM 1123 O1' CRH B 23 -12.658 -5.863 1.733 1.00 0.38 O HETATM 1124 O2' CRH B 23 -14.043 -3.075 0.046 1.00 0.54 O HETATM 1125 O3' CRH B 23 -14.916 -6.551 0.572 1.00 0.71 O HETATM 1126 O4' CRH B 23 -17.400 -5.709 0.472 1.00 0.87 O HETATM 0 H4'3 CRH B 23 -16.258 -2.653 0.433 1.00 0.58 H new HETATM 0 H4'2 CRH B 23 -17.253 -3.552 -0.736 1.00 0.58 H new HETATM 0 H4'1 CRH B 23 -17.886 -3.207 0.891 1.00 0.58 H new HETATM 0 H153 CRH B 23 -8.542 -9.088 -8.193 1.00 0.23 H new HETATM 0 H152 CRH B 23 -8.411 -7.473 -8.927 1.00 0.23 H new HETATM 0 H151 CRH B 23 -7.195 -8.015 -7.747 1.00 0.23 H new HETATM 0 H1'3 CRH B 23 -12.055 -4.883 3.443 1.00 0.49 H new HETATM 0 H1'2 CRH B 23 -13.814 -4.967 3.186 1.00 0.49 H new HETATM 0 H1'1 CRH B 23 -12.919 -6.417 3.701 1.00 0.49 H new HETATM 0 HO8 CRH B 23 -6.876 -7.016 -4.651 1.00 0.25 H new HETATM 0 HO4 CRH B 23 -16.980 -6.580 0.311 1.00 0.87 H new HETATM 0 HO3 CRH B 23 -14.180 -6.552 1.220 1.00 0.71 H new HETATM 0 H5 CRH B 23 -12.337 -7.149 -6.073 1.00 0.17 H new HETATM 0 H42 CRH B 23 -12.178 -7.056 -0.771 1.00 0.19 H new HETATM 0 H41 CRH B 23 -13.043 -5.874 -1.734 1.00 0.19 H new HETATM 0 H4' CRH B 23 -16.145 -4.655 1.878 1.00 0.57 H new HETATM 0 H3' CRH B 23 -15.233 -5.198 -0.995 1.00 0.41 H new HETATM 0 H3 CRH B 23 -11.580 -4.099 -0.955 1.00 0.20 H new HETATM 0 H22 CRH B 23 -10.302 -6.260 0.829 1.00 0.20 H new HETATM 0 H10 CRH B 23 -12.634 -6.644 -3.830 1.00 0.18 H new HETATM 0 H1' CRH B 23 -12.110 -4.005 1.373 1.00 0.27 H new HETATM 1148 C1 MDA B 30C -1.052 -1.186 3.648 1.00 0.13 C HETATM 1149 C2 MDA B 30C -1.060 0.075 2.786 1.00 0.15 C HETATM 1150 C3 MDA B 30C 0.113 0.024 1.813 1.00 0.15 C HETATM 1151 C4 MDA B 30C 1.377 -0.065 2.718 1.00 0.19 C HETATM 1152 C5 MDA B 30C 1.314 -1.310 3.648 1.00 0.19 C HETATM 1153 C6 MDA B 30C 2.494 -1.540 4.592 1.00 0.27 C HETATM 1154 C3' MDA B 30C 0.035 1.217 0.840 1.00 0.21 C HETATM 1155 O5 MDA B 30C 0.123 -1.253 4.442 1.00 0.17 O HETATM 1156 O3 MDA B 30C 0.011 -1.138 1.015 1.00 0.16 O HETATM 1157 O4 MDA B 30C 2.560 -0.101 1.941 1.00 0.24 O HETATM 0 H3'3 MDA B 30C -0.900 1.170 0.281 1.00 0.21 H new HETATM 0 H3'2 MDA B 30C 0.074 2.149 1.403 1.00 0.21 H new HETATM 0 H3'1 MDA B 30C 0.875 1.177 0.147 1.00 0.21 H new HETATM 0 HO4 MDA B 30C 3.339 0.006 2.526 1.00 0.24 H new HETATM 0 HO3 MDA B 30C -0.729 -1.035 0.381 1.00 0.16 H new HETATM 0 H63 MDA B 30C 3.408 -1.659 4.010 1.00 0.27 H new HETATM 0 H62 MDA B 30C 2.598 -0.685 5.260 1.00 0.27 H new HETATM 0 H61 MDA B 30C 2.319 -2.440 5.181 1.00 0.27 H new HETATM 0 H5 MDA B 30C 1.337 -2.148 2.951 1.00 0.19 H new HETATM 0 H4 MDA B 30C 1.396 0.831 3.338 1.00 0.19 H new HETATM 0 H22 MDA B 30C -1.999 0.150 2.238 1.00 0.15 H new HETATM 0 H21 MDA B 30C -0.987 0.961 3.416 1.00 0.15 H new HETATM 1171 C1 CRH A 27 -6.277 -8.217 0.899 1.00 0.19 C HETATM 1172 C2 CRH A 27 -7.020 -9.340 1.635 1.00 0.20 C HETATM 1173 C3 CRH A 27 -6.170 -9.976 2.752 1.00 0.21 C HETATM 1174 C4 CRH A 27 -5.500 -8.933 3.574 1.00 0.20 C HETATM 1175 C5 CRH A 27 -1.523 -6.237 2.995 1.00 0.14 C HETATM 1176 C6 CRH A 27 -0.743 -5.309 2.331 1.00 0.15 C HETATM 1177 C7 CRH A 27 -1.187 -4.803 1.116 1.00 0.15 C HETATM 1178 C8 CRH A 27 -2.399 -5.214 0.589 1.00 0.15 C HETATM 1179 C9 CRH A 27 -4.395 -6.650 0.739 1.00 0.16 C HETATM 1180 C10 CRH A 27 -3.452 -7.615 3.155 1.00 0.15 C HETATM 1181 C11 CRH A 27 -2.725 -6.665 2.473 1.00 0.14 C HETATM 1182 C12 CRH A 27 -3.190 -6.162 1.252 1.00 0.15 C HETATM 1183 C13 CRH A 27 -5.136 -7.623 1.432 1.00 0.16 C HETATM 1184 C14 CRH A 27 -4.639 -8.081 2.654 1.00 0.15 C HETATM 1185 C15 CRH A 27 -0.270 -3.986 0.222 1.00 0.14 C HETATM 1186 O1 CRH A 27 -6.675 -7.861 -0.210 1.00 0.25 O HETATM 1187 O8 CRH A 27 -2.785 -4.583 -0.580 1.00 0.16 O HETATM 1188 O9 CRH A 27 -4.817 -6.141 -0.475 1.00 0.21 O HETATM 1189 C1' CRH A 27 -7.072 -10.959 3.490 1.00 0.28 C HETATM 1190 C2' CRH A 27 -6.336 -11.779 4.555 1.00 0.28 C HETATM 1191 C3' CRH A 27 -5.993 -13.218 4.201 1.00 0.32 C HETATM 1192 C4' CRH A 27 -4.982 -13.178 3.051 1.00 0.34 C HETATM 1193 C1M CRH A 27 -9.331 -11.570 3.835 1.00 0.44 C HETATM 1194 C4M CRH A 27 -3.616 -12.604 3.404 1.00 0.38 C HETATM 1195 O1' CRH A 27 -8.350 -10.546 3.961 1.00 0.40 O HETATM 1196 O2' CRH A 27 -6.007 -11.292 5.639 1.00 0.38 O HETATM 1197 O3' CRH A 27 -7.114 -13.906 3.644 1.00 0.42 O HETATM 1198 O4' CRH A 27 -4.702 -14.527 2.689 1.00 0.50 O HETATM 0 H4'3 CRH A 27 -3.731 -11.577 3.750 1.00 0.38 H new HETATM 0 H4'2 CRH A 27 -3.162 -13.204 4.193 1.00 0.38 H new HETATM 0 H4'1 CRH A 27 -2.975 -12.620 2.522 1.00 0.38 H new HETATM 0 H153 CRH A 27 0.063 -3.097 0.758 1.00 0.14 H new HETATM 0 H152 CRH A 27 0.596 -4.587 -0.057 1.00 0.14 H new HETATM 0 H151 CRH A 27 -0.810 -3.687 -0.677 1.00 0.14 H new HETATM 0 H1'3 CRH A 27 -9.433 -11.849 2.786 1.00 0.44 H new HETATM 0 H1'2 CRH A 27 -9.024 -12.441 4.414 1.00 0.44 H new HETATM 0 H1'1 CRH A 27 -10.288 -11.205 4.208 1.00 0.44 H new HETATM 0 HO8 CRH A 27 -3.736 -4.753 -0.745 1.00 0.16 H new HETATM 0 HO4 CRH A 27 -4.057 -14.541 1.951 1.00 0.50 H new HETATM 0 HO3 CRH A 27 -6.801 -14.679 3.129 1.00 0.42 H new HETATM 0 H5 CRH A 27 -1.181 -6.638 3.949 1.00 0.14 H new HETATM 0 H42 CRH A 27 -6.241 -8.315 4.081 1.00 0.20 H new HETATM 0 H41 CRH A 27 -4.887 -9.395 4.348 1.00 0.20 H new HETATM 0 H4' CRH A 27 -5.438 -12.551 2.285 1.00 0.34 H new HETATM 0 H3' CRH A 27 -5.643 -13.709 5.109 1.00 0.32 H new HETATM 0 H3 CRH A 27 -5.324 -10.549 2.371 1.00 0.21 H new HETATM 0 H22 CRH A 27 -7.940 -8.942 2.064 1.00 0.20 H new HETATM 0 H10 CRH A 27 -3.079 -8.001 4.104 1.00 0.15 H new HETATM 0 H1' CRH A 27 -7.345 -11.586 2.641 1.00 0.28 H new HETATM 1220 C1 MDA B 28C -10.607 -10.859 -8.880 1.00 0.25 C HETATM 1221 C2 MDA B 28C -9.441 -11.690 -9.416 1.00 0.27 C HETATM 1222 C3 MDA B 28C -8.712 -11.000 -10.558 1.00 0.30 C HETATM 1223 C4 MDA B 28C -9.716 -10.491 -11.586 1.00 0.31 C HETATM 1224 C5 MDA B 28C -10.821 -9.657 -10.912 1.00 0.28 C HETATM 1225 C6 MDA B 28C -11.817 -9.180 -11.952 1.00 0.33 C HETATM 1226 C3' MDA B 28C -7.771 -12.009 -11.218 1.00 0.34 C HETATM 1227 O5 MDA B 28C -11.477 -10.471 -9.942 1.00 0.27 O HETATM 1228 O3 MDA B 28C -8.009 -9.920 -10.013 1.00 0.30 O HETATM 1229 O4 MDA B 28C -9.072 -9.757 -12.618 1.00 0.38 O HETATM 0 H3'3 MDA B 28C -7.051 -12.370 -10.483 1.00 0.34 H new HETATM 0 H3'2 MDA B 28C -8.350 -12.849 -11.602 1.00 0.34 H new HETATM 0 H3'1 MDA B 28C -7.241 -11.528 -12.040 1.00 0.34 H new HETATM 0 HO4 MDA B 28C -9.578 -9.853 -13.452 1.00 0.38 H new HETATM 0 HO3 MDA B 28C -7.065 -9.983 -10.267 1.00 0.30 H new HETATM 0 H63 MDA B 28C -11.304 -8.565 -12.692 1.00 0.33 H new HETATM 0 H62 MDA B 28C -12.268 -10.041 -12.446 1.00 0.33 H new HETATM 0 H61 MDA B 28C -12.595 -8.591 -11.467 1.00 0.33 H new HETATM 0 H5 MDA B 28C -10.384 -8.784 -10.427 1.00 0.28 H new HETATM 0 H4 MDA B 28C -10.188 -11.358 -12.048 1.00 0.31 H new HETATM 0 H22 MDA B 28C -8.738 -11.888 -8.607 1.00 0.27 H new HETATM 0 H21 MDA B 28C -9.814 -12.656 -9.758 1.00 0.27 H new