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= -0.0199 USER MOD Set 1.2: B 30CMDA O4 : rot 170:sc= -0.0208 USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.802 USER MOD Single : A 5 DT C7 :methyl 150:sc= -4.78! (180deg=-4.78!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -2 (180deg=-2.29!) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : A 11 DDA O3 : rot -91:sc= 1.03 USER MOD Single : A 11 DDA O4 : rot 36:sc= 0.0106 USER MOD Single : A 12 DDA O4 : rot 28:sc= 0.0333 USER MOD Single : A 13 CRH O3' : rot 159:sc= 0.137 USER MOD Single : A 13 CRH O4' : rot 180:sc= 0.155 USER MOD Single : A 13 CRH O8 : rot 176:sc= 2.03 USER MOD Single : A 14ADDA O4 : rot 28:sc= 0.0393 USER MOD Single : A 14BDDL O4 : rot -20:sc= 0.0428 USER MOD Single : A 18CMDA O3 : rot 126:sc= 0.299 USER MOD Single : A 18CMDA O4 : rot -23:sc= 0.00919 USER MOD Single : A 25 DDA O3 : rot -90:sc= 0.932 USER MOD Single : A 25 DDA O4 : rot 27:sc= 0.0118 USER MOD Single : A 26 DDA O4 : rot 10:sc= 0.189 USER MOD Single : A 27 CRH O3' : rot 152:sc= 0.0957 USER MOD Single : A 27 CRH O4' : rot -170:sc= 0.723 USER MOD Single : A 27 CRH O8 : rot 178:sc= 1.38 USER MOD Single : A 28ADDA O4 : rot 40:sc= 0.654 USER MOD Single : A 28BDDL O4 : rot -34:sc= 0.0358 USER MOD Single : A 29CMDA O3 : rot 65:sc= -1.62! USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 121:sc= -0.815 USER MOD Single : B 5 DT C7 :methyl 150:sc= -4.8! (180deg=-4.8!) USER MOD Single : B 9 DT C7 :methyl -30:sc= -2.05 (180deg=-2.32!) USER MOD Single : B 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 15 DDA O3 : rot -90:sc= 0.918 USER MOD Single : B 15 DDA O4 : rot 32:sc= 0.0101 USER MOD Single : B 16 DDA O4 : rot 11:sc= 0.197 USER MOD Single : B 17 CRH O3' : rot 146:sc= 0.0881 USER MOD Single : B 17 CRH O4' : rot -170:sc= 0.738 USER MOD Single : B 17 CRH O8 : rot 175:sc= 1.56 USER MOD Single : B 18ADDA O4 : rot 40:sc= 0.544 USER MOD Single : B 18BDDL O4 : rot -30:sc= 0.041 USER MOD Single : B 21 DDA O3 : rot -91:sc= 1.02 USER MOD Single : B 21 DDA O4 : rot 36:sc= 0.0107 USER MOD Single : B 22 DDA O4 : rot 36:sc= 0.0335 USER MOD Single : B 23 CRH O3' : rot 151:sc= 0.137 USER MOD Single : B 23 CRH O4' : rot 180:sc= 0.135 USER MOD Single : B 23 CRH O8 : rot 169:sc= 1.94 USER MOD Single : B 24ADDA O4 : rot 27:sc= 0.0411 USER MOD Single : B 24BDDL O4 : rot -21:sc= 0.0394 USER MOD Single : B 28CMDA O3 : rot 129:sc= 0.286 USER MOD Single : B 28CMDA O4 : rot -30:sc= 0.013 USER MOD Single : B 30CMDA O3 : rot 65:sc= -1.65! USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.074 10.139 -16.345 1.00 1.99 O ATOM 2 C5' DT A 1 -8.174 11.028 -17.467 1.00 1.97 C ATOM 3 C4' DT A 1 -6.792 11.430 -17.999 1.00 1.73 C ATOM 4 O4' DT A 1 -6.012 12.111 -16.998 1.00 1.60 O ATOM 5 C3' DT A 1 -5.943 10.244 -18.464 1.00 1.62 C ATOM 6 O3' DT A 1 -5.160 10.654 -19.595 1.00 1.43 O ATOM 7 C2' DT A 1 -5.110 9.957 -17.243 1.00 1.50 C ATOM 8 C1' DT A 1 -4.844 11.342 -16.676 1.00 1.41 C ATOM 9 N1 DT A 1 -4.722 11.344 -15.197 1.00 1.37 N ATOM 10 C2 DT A 1 -3.512 11.705 -14.636 1.00 1.16 C ATOM 11 O2 DT A 1 -2.514 12.010 -15.281 1.00 1.03 O ATOM 12 N3 DT A 1 -3.470 11.710 -13.267 1.00 1.14 N ATOM 13 C4 DT A 1 -4.482 11.396 -12.403 1.00 1.31 C ATOM 14 O4 DT A 1 -4.266 11.464 -11.194 1.00 1.27 O ATOM 15 C5 DT A 1 -5.718 11.026 -13.058 1.00 1.54 C ATOM 16 C7 DT A 1 -6.949 10.648 -12.224 1.00 1.79 C ATOM 17 C6 DT A 1 -5.795 11.011 -14.406 1.00 1.57 C ATOM 0 H5' DT A 1 -8.725 11.922 -17.175 1.00 1.97 H new ATOM 0 H5'' DT A 1 -8.744 10.547 -18.262 1.00 1.97 H new ATOM 0 H4' DT A 1 -7.017 12.078 -18.847 1.00 1.73 H new ATOM 0 H3' DT A 1 -6.494 9.364 -18.795 1.00 1.62 H new ATOM 0 H2' DT A 1 -5.641 9.325 -16.531 1.00 1.50 H new ATOM 0 H2'' DT A 1 -4.184 9.441 -17.498 1.00 1.50 H new ATOM 0 HO5' DT A 1 -8.973 9.906 -16.032 1.00 1.99 H new ATOM 0 H1' DT A 1 -3.911 11.727 -17.087 1.00 1.41 H new ATOM 0 H3 DT A 1 -2.582 11.979 -12.844 1.00 1.14 H new ATOM 0 H71 DT A 1 -7.854 10.914 -12.770 1.00 1.79 H new ATOM 0 H72 DT A 1 -6.943 9.575 -12.032 1.00 1.79 H new ATOM 0 H73 DT A 1 -6.926 11.186 -11.276 1.00 1.79 H new ATOM 0 H6 DT A 1 -6.726 10.729 -14.876 1.00 1.57 H new ATOM 31 P DA A 2 -4.397 9.583 -20.531 1.00 1.38 P ATOM 32 OP1 DA A 2 -3.885 10.297 -21.723 1.00 1.28 O ATOM 33 OP2 DA A 2 -5.281 8.406 -20.702 1.00 1.65 O ATOM 34 O5' DA A 2 -3.151 9.148 -19.602 1.00 1.21 O ATOM 35 C5' DA A 2 -1.809 9.609 -19.831 1.00 1.18 C ATOM 36 C4' DA A 2 -0.837 9.042 -18.796 1.00 1.03 C ATOM 37 O4' DA A 2 -1.095 9.503 -17.456 1.00 0.91 O ATOM 38 C3' DA A 2 -0.926 7.510 -18.705 1.00 1.00 C ATOM 39 O3' DA A 2 0.128 6.940 -19.497 1.00 1.06 O ATOM 40 C2' DA A 2 -0.884 7.245 -17.200 1.00 0.88 C ATOM 41 C1' DA A 2 -0.468 8.563 -16.576 1.00 0.79 C ATOM 42 N9 DA A 2 -1.010 8.746 -15.219 1.00 0.73 N ATOM 43 C8 DA A 2 -2.232 8.367 -14.735 1.00 0.79 C ATOM 44 N7 DA A 2 -2.436 8.687 -13.489 1.00 0.75 N ATOM 45 C5 DA A 2 -1.253 9.326 -13.123 1.00 0.64 C ATOM 46 C6 DA A 2 -0.821 9.906 -11.927 1.00 0.58 C ATOM 47 N6 DA A 2 -1.573 9.942 -10.834 1.00 0.59 N ATOM 48 N1 DA A 2 0.404 10.451 -11.902 1.00 0.51 N ATOM 49 C2 DA A 2 1.160 10.423 -12.997 1.00 0.49 C ATOM 50 N3 DA A 2 0.858 9.904 -14.180 1.00 0.54 N ATOM 51 C4 DA A 2 -0.380 9.364 -14.171 1.00 0.62 C ATOM 0 H5' DA A 2 -1.786 10.698 -19.795 1.00 1.18 H new ATOM 0 H5'' DA A 2 -1.489 9.317 -20.831 1.00 1.18 H new ATOM 0 H4' DA A 2 0.138 9.383 -19.145 1.00 1.03 H new ATOM 0 H3' DA A 2 -1.822 7.044 -19.114 1.00 1.00 H new ATOM 0 H2' DA A 2 -1.857 6.924 -16.829 1.00 0.88 H new ATOM 0 H2'' DA A 2 -0.174 6.454 -16.959 1.00 0.88 H new ATOM 0 H1' DA A 2 0.613 8.652 -16.471 1.00 0.79 H new ATOM 0 H8 DA A 2 -2.965 7.847 -15.334 1.00 0.79 H new ATOM 0 H61 DA A 2 -1.216 10.376 -9.983 1.00 0.59 H new ATOM 0 H62 DA A 2 -2.508 9.535 -10.845 1.00 0.59 H new ATOM 0 H2 DA A 2 2.136 10.877 -12.912 1.00 0.49 H new ATOM 63 P DG A 3 0.711 5.452 -19.291 1.00 1.04 P ATOM 64 OP1 DG A 3 1.669 5.162 -20.381 1.00 1.16 O ATOM 65 OP2 DG A 3 -0.404 4.520 -19.012 1.00 1.06 O ATOM 66 O5' DG A 3 1.566 5.646 -17.950 1.00 0.88 O ATOM 67 C5' DG A 3 2.632 6.605 -17.905 1.00 0.81 C ATOM 68 C4' DG A 3 3.159 6.750 -16.493 1.00 0.66 C ATOM 69 O4' DG A 3 2.121 7.165 -15.579 1.00 0.61 O ATOM 70 C3' DG A 3 3.705 5.434 -15.938 1.00 0.64 C ATOM 71 O3' DG A 3 5.133 5.427 -16.053 1.00 0.62 O ATOM 72 C2' DG A 3 3.188 5.474 -14.511 1.00 0.55 C ATOM 73 C1' DG A 3 2.639 6.862 -14.282 1.00 0.49 C ATOM 74 N9 DG A 3 1.560 6.779 -13.269 1.00 0.47 N ATOM 75 C8 DG A 3 0.366 6.151 -13.415 1.00 0.53 C ATOM 76 N7 DG A 3 -0.422 6.215 -12.378 1.00 0.50 N ATOM 77 C5 DG A 3 0.321 6.950 -11.460 1.00 0.41 C ATOM 78 C6 DG A 3 0.003 7.355 -10.130 1.00 0.36 C ATOM 79 O6 DG A 3 -1.004 7.168 -9.454 1.00 0.40 O ATOM 80 N1 DG A 3 1.024 8.069 -9.569 1.00 0.30 N ATOM 81 C2 DG A 3 2.204 8.369 -10.183 1.00 0.27 C ATOM 82 N2 DG A 3 3.067 9.053 -9.470 1.00 0.23 N ATOM 83 N3 DG A 3 2.523 8.007 -11.419 1.00 0.32 N ATOM 84 C4 DG A 3 1.536 7.298 -11.999 1.00 0.39 C ATOM 0 H5' DG A 3 2.276 7.570 -18.267 1.00 0.81 H new ATOM 0 H5'' DG A 3 3.438 6.293 -18.569 1.00 0.81 H new ATOM 0 H4' DG A 3 3.951 7.496 -16.564 1.00 0.66 H new ATOM 0 H3' DG A 3 3.396 4.523 -16.451 1.00 0.64 H new ATOM 0 H2' DG A 3 2.413 4.722 -14.360 1.00 0.55 H new ATOM 0 H2'' DG A 3 3.988 5.254 -13.804 1.00 0.55 H new ATOM 0 H1' DG A 3 3.347 7.605 -13.916 1.00 0.49 H new ATOM 0 H8 DG A 3 0.089 5.636 -14.323 1.00 0.53 H new ATOM 0 H1 DG A 3 0.893 8.404 -8.615 1.00 0.30 H new ATOM 0 H21 DG A 3 3.969 9.310 -9.870 1.00 0.23 H new ATOM 0 H22 DG A 3 2.836 9.328 -8.515 1.00 0.23 H new ATOM 96 P DC A 4 6.041 4.167 -15.603 1.00 0.64 P ATOM 97 OP1 DC A 4 7.387 4.346 -16.194 1.00 0.66 O ATOM 98 OP2 DC A 4 5.285 2.920 -15.857 1.00 0.75 O ATOM 99 O5' DC A 4 6.146 4.388 -14.015 1.00 0.54 O ATOM 100 C5' DC A 4 6.876 5.502 -13.481 1.00 0.43 C ATOM 101 C4' DC A 4 6.537 5.735 -12.019 1.00 0.35 C ATOM 102 O4' DC A 4 5.127 5.959 -11.827 1.00 0.33 O ATOM 103 C3' DC A 4 6.820 4.528 -11.134 1.00 0.41 C ATOM 104 O3' DC A 4 8.211 4.556 -10.754 1.00 0.45 O ATOM 105 C2' DC A 4 5.911 4.758 -9.964 1.00 0.35 C ATOM 106 C1' DC A 4 4.828 5.723 -10.440 1.00 0.30 C ATOM 107 N1 DC A 4 3.454 5.209 -10.201 1.00 0.31 N ATOM 108 C2 DC A 4 2.895 5.425 -8.945 1.00 0.26 C ATOM 109 O2 DC A 4 3.513 6.008 -8.058 1.00 0.25 O ATOM 110 N3 DC A 4 1.642 4.974 -8.699 1.00 0.28 N ATOM 111 C4 DC A 4 0.951 4.331 -9.642 1.00 0.35 C ATOM 112 N4 DC A 4 -0.279 3.924 -9.343 1.00 0.37 N ATOM 113 C5 DC A 4 1.506 4.093 -10.944 1.00 0.41 C ATOM 114 C6 DC A 4 2.756 4.549 -11.178 1.00 0.39 C ATOM 0 H5' DC A 4 6.647 6.399 -14.057 1.00 0.43 H new ATOM 0 H5'' DC A 4 7.946 5.321 -13.584 1.00 0.43 H new ATOM 0 H4' DC A 4 7.155 6.592 -11.750 1.00 0.35 H new ATOM 0 H3' DC A 4 6.647 3.558 -11.599 1.00 0.41 H new ATOM 0 H2' DC A 4 5.472 3.820 -9.623 1.00 0.35 H new ATOM 0 H2'' DC A 4 6.461 5.177 -9.122 1.00 0.35 H new ATOM 0 H1' DC A 4 4.836 6.656 -9.876 1.00 0.30 H new ATOM 0 H41 DC A 4 -0.836 3.429 -10.040 1.00 0.37 H new ATOM 0 H42 DC A 4 -0.665 4.106 -8.417 1.00 0.37 H new ATOM 0 H5 DC A 4 0.947 3.570 -11.706 1.00 0.41 H new ATOM 0 H6 DC A 4 3.210 4.392 -12.145 1.00 0.39 H new ATOM 126 P DT A 5 8.950 3.481 -9.785 1.00 0.47 P ATOM 127 OP1 DT A 5 10.238 3.121 -10.419 1.00 0.58 O ATOM 128 OP2 DT A 5 7.980 2.414 -9.440 1.00 0.53 O ATOM 129 O5' DT A 5 9.272 4.322 -8.435 1.00 0.45 O ATOM 130 C5' DT A 5 8.238 4.663 -7.500 1.00 0.38 C ATOM 131 C4' DT A 5 8.503 4.196 -6.077 1.00 0.38 C ATOM 132 O4' DT A 5 7.253 4.348 -5.357 1.00 0.39 O ATOM 133 C3' DT A 5 8.882 2.717 -5.926 1.00 0.37 C ATOM 134 O3' DT A 5 9.804 2.542 -4.840 1.00 0.40 O ATOM 135 C2' DT A 5 7.576 2.017 -5.697 1.00 0.35 C ATOM 136 C1' DT A 5 6.700 3.060 -5.012 1.00 0.35 C ATOM 137 N1 DT A 5 5.293 2.885 -5.462 1.00 0.33 N ATOM 138 C2 DT A 5 4.281 2.947 -4.511 1.00 0.35 C ATOM 139 O2 DT A 5 4.458 3.152 -3.312 1.00 0.39 O ATOM 140 N3 DT A 5 3.008 2.753 -4.986 1.00 0.36 N ATOM 141 C4 DT A 5 2.650 2.508 -6.285 1.00 0.34 C ATOM 142 O4 DT A 5 1.471 2.363 -6.577 1.00 0.36 O ATOM 143 C5 DT A 5 3.744 2.456 -7.205 1.00 0.32 C ATOM 144 C7 DT A 5 3.475 2.142 -8.667 1.00 0.34 C ATOM 145 C6 DT A 5 4.998 2.644 -6.786 1.00 0.33 C ATOM 0 H5' DT A 5 7.298 4.231 -7.843 1.00 0.38 H new ATOM 0 H5'' DT A 5 8.109 5.745 -7.497 1.00 0.38 H new ATOM 0 H4' DT A 5 9.345 4.785 -5.713 1.00 0.38 H new ATOM 0 H3' DT A 5 9.394 2.313 -6.799 1.00 0.37 H new ATOM 0 H2' DT A 5 7.135 1.683 -6.636 1.00 0.35 H new ATOM 0 H2'' DT A 5 7.703 1.133 -5.072 1.00 0.35 H new ATOM 0 H1' DT A 5 6.687 2.961 -3.927 1.00 0.35 H new ATOM 0 H3 DT A 5 2.252 2.796 -4.302 1.00 0.36 H new ATOM 0 H71 DT A 5 4.223 2.634 -9.288 1.00 0.34 H new ATOM 0 H72 DT A 5 3.526 1.064 -8.823 1.00 0.34 H new ATOM 0 H73 DT A 5 2.483 2.502 -8.940 1.00 0.34 H new ATOM 0 H6 DT A 5 5.803 2.606 -7.505 1.00 0.33 H new ATOM 158 P DA A 6 10.385 1.081 -4.469 1.00 0.36 P ATOM 159 OP1 DA A 6 11.515 1.255 -3.529 1.00 0.41 O ATOM 160 OP2 DA A 6 10.581 0.320 -5.724 1.00 0.40 O ATOM 161 O5' DA A 6 9.140 0.423 -3.673 1.00 0.35 O ATOM 162 C5' DA A 6 8.932 0.657 -2.271 1.00 0.32 C ATOM 163 C4' DA A 6 7.837 -0.236 -1.688 1.00 0.29 C ATOM 164 O4' DA A 6 6.530 0.158 -2.153 1.00 0.27 O ATOM 165 C3' DA A 6 7.995 -1.724 -2.050 1.00 0.29 C ATOM 166 O3' DA A 6 8.376 -2.489 -0.896 1.00 0.32 O ATOM 167 C2' DA A 6 6.645 -2.089 -2.632 1.00 0.30 C ATOM 168 C1' DA A 6 5.682 -0.993 -2.214 1.00 0.29 C ATOM 169 N9 DA A 6 4.703 -0.741 -3.282 1.00 0.29 N ATOM 170 C8 DA A 6 4.935 -0.535 -4.617 1.00 0.29 C ATOM 171 N7 DA A 6 3.858 -0.346 -5.322 1.00 0.30 N ATOM 172 C5 DA A 6 2.840 -0.434 -4.377 1.00 0.28 C ATOM 173 C6 DA A 6 1.457 -0.327 -4.476 1.00 0.29 C ATOM 174 N6 DA A 6 0.846 -0.111 -5.631 1.00 0.30 N ATOM 175 N1 DA A 6 0.736 -0.463 -3.354 1.00 0.29 N ATOM 176 C2 DA A 6 1.354 -0.694 -2.201 1.00 0.29 C ATOM 177 N3 DA A 6 2.652 -0.817 -1.982 1.00 0.29 N ATOM 178 C4 DA A 6 3.346 -0.673 -3.133 1.00 0.29 C ATOM 0 H5' DA A 6 8.666 1.702 -2.115 1.00 0.32 H new ATOM 0 H5'' DA A 6 9.864 0.482 -1.734 1.00 0.32 H new ATOM 0 H4' DA A 6 7.937 -0.111 -0.610 1.00 0.29 H new ATOM 0 H3' DA A 6 8.791 -1.935 -2.765 1.00 0.29 H new ATOM 0 H2' DA A 6 6.699 -2.164 -3.718 1.00 0.30 H new ATOM 0 H2'' DA A 6 6.313 -3.059 -2.262 1.00 0.30 H new ATOM 0 H1' DA A 6 5.145 -1.235 -1.297 1.00 0.29 H new ATOM 0 H8 DA A 6 5.926 -0.530 -5.046 1.00 0.29 H new ATOM 0 H61 DA A 6 -0.171 -0.038 -5.664 1.00 0.30 H new ATOM 0 H62 DA A 6 1.392 -0.017 -6.487 1.00 0.30 H new ATOM 0 H2 DA A 6 0.717 -0.794 -1.335 1.00 0.29 H new ATOM 190 P DG A 7 8.386 -4.105 -0.897 1.00 0.28 P ATOM 191 OP1 DG A 7 8.929 -4.568 0.400 1.00 0.34 O ATOM 192 OP2 DG A 7 8.971 -4.590 -2.168 1.00 0.36 O ATOM 193 O5' DG A 7 6.804 -4.414 -0.904 1.00 0.26 O ATOM 194 C5' DG A 7 6.035 -4.001 0.233 1.00 0.23 C ATOM 195 C4' DG A 7 4.549 -4.210 0.087 1.00 0.22 C ATOM 196 O4' DG A 7 4.024 -3.430 -0.994 1.00 0.23 O ATOM 197 C3' DG A 7 4.190 -5.644 -0.275 1.00 0.24 C ATOM 198 O3' DG A 7 3.966 -6.468 0.877 1.00 0.26 O ATOM 199 C2' DG A 7 2.944 -5.458 -1.068 1.00 0.24 C ATOM 200 C1' DG A 7 2.739 -3.986 -1.280 1.00 0.22 C ATOM 201 N9 DG A 7 2.442 -3.799 -2.703 1.00 0.22 N ATOM 202 C8 DG A 7 3.376 -3.724 -3.668 1.00 0.23 C ATOM 203 N7 DG A 7 2.900 -3.543 -4.873 1.00 0.25 N ATOM 204 C5 DG A 7 1.518 -3.499 -4.668 1.00 0.23 C ATOM 205 C6 DG A 7 0.439 -3.324 -5.594 1.00 0.24 C ATOM 206 O6 DG A 7 0.443 -3.152 -6.809 1.00 0.30 O ATOM 207 N1 DG A 7 -0.779 -3.350 -4.959 1.00 0.23 N ATOM 208 C2 DG A 7 -0.963 -3.516 -3.613 1.00 0.22 C ATOM 209 N2 DG A 7 -2.212 -3.532 -3.201 1.00 0.25 N ATOM 210 N3 DG A 7 0.022 -3.675 -2.737 1.00 0.22 N ATOM 211 C4 DG A 7 1.233 -3.658 -3.334 1.00 0.22 C ATOM 0 H5' DG A 7 6.225 -2.944 0.420 1.00 0.23 H new ATOM 0 H5'' DG A 7 6.382 -4.548 1.110 1.00 0.23 H new ATOM 0 H4' DG A 7 4.135 -3.930 1.055 1.00 0.22 H new ATOM 0 H3' DG A 7 4.986 -6.162 -0.810 1.00 0.24 H new ATOM 0 H2' DG A 7 3.022 -5.973 -2.026 1.00 0.24 H new ATOM 0 H2'' DG A 7 2.091 -5.889 -0.543 1.00 0.24 H new ATOM 0 H1' DG A 7 1.944 -3.544 -0.679 1.00 0.22 H new ATOM 0 H8 DG A 7 4.433 -3.807 -3.464 1.00 0.23 H new ATOM 0 H1 DG A 7 -1.612 -3.237 -5.536 1.00 0.23 H new ATOM 0 H21 DG A 7 -2.421 -3.652 -2.210 1.00 0.25 H new ATOM 0 H22 DG A 7 -2.972 -3.424 -3.873 1.00 0.25 H new ATOM 223 P DC A 8 3.720 -8.059 0.719 1.00 0.28 P ATOM 224 OP1 DC A 8 3.728 -8.647 2.078 1.00 0.34 O ATOM 225 OP2 DC A 8 4.651 -8.577 -0.309 1.00 0.33 O ATOM 226 O5' DC A 8 2.214 -8.148 0.127 1.00 0.27 O ATOM 227 C5' DC A 8 1.064 -8.012 0.975 1.00 0.26 C ATOM 228 C4' DC A 8 -0.255 -8.025 0.205 1.00 0.25 C ATOM 229 O4' DC A 8 -0.391 -6.927 -0.707 1.00 0.25 O ATOM 230 C3' DC A 8 -0.465 -9.266 -0.673 1.00 0.28 C ATOM 231 O3' DC A 8 -0.855 -10.411 0.109 1.00 0.35 O ATOM 232 C2' DC A 8 -1.620 -8.758 -1.498 1.00 0.26 C ATOM 233 C1' DC A 8 -1.294 -7.307 -1.763 1.00 0.23 C ATOM 234 N1 DC A 8 -0.728 -7.038 -3.105 1.00 0.24 N ATOM 235 C2 DC A 8 -1.592 -6.969 -4.186 1.00 0.25 C ATOM 236 O2 DC A 8 -2.797 -7.159 -4.054 1.00 0.27 O ATOM 237 N3 DC A 8 -1.079 -6.691 -5.411 1.00 0.29 N ATOM 238 C4 DC A 8 0.228 -6.486 -5.579 1.00 0.29 C ATOM 239 N4 DC A 8 0.678 -6.206 -6.796 1.00 0.35 N ATOM 240 C5 DC A 8 1.129 -6.558 -4.472 1.00 0.27 C ATOM 241 C6 DC A 8 0.608 -6.836 -3.269 1.00 0.26 C ATOM 0 H5' DC A 8 1.141 -7.080 1.535 1.00 0.26 H new ATOM 0 H5'' DC A 8 1.060 -8.822 1.704 1.00 0.26 H new ATOM 0 H4' DC A 8 -0.983 -7.985 1.016 1.00 0.25 H new ATOM 0 H3' DC A 8 0.411 -9.607 -1.225 1.00 0.28 H new ATOM 0 H2' DC A 8 -1.719 -9.318 -2.428 1.00 0.26 H new ATOM 0 H2'' DC A 8 -2.564 -8.860 -0.963 1.00 0.26 H new ATOM 0 H1' DC A 8 -2.208 -6.713 -1.766 1.00 0.23 H new ATOM 0 H41 DC A 8 1.674 -6.046 -6.947 1.00 0.35 H new ATOM 0 H42 DC A 8 0.028 -6.151 -7.580 1.00 0.35 H new ATOM 0 H5 DC A 8 2.189 -6.395 -4.600 1.00 0.27 H new ATOM 0 H6 DC A 8 1.262 -6.901 -2.412 1.00 0.26 H new ATOM 253 P DT A 9 -1.333 -11.784 -0.608 1.00 0.44 P ATOM 254 OP1 DT A 9 -1.687 -12.786 0.422 1.00 0.54 O ATOM 255 OP2 DT A 9 -0.361 -12.125 -1.672 1.00 0.53 O ATOM 256 O5' DT A 9 -2.701 -11.318 -1.321 1.00 0.41 O ATOM 257 C5' DT A 9 -3.927 -11.050 -0.610 1.00 0.39 C ATOM 258 C4' DT A 9 -5.108 -11.413 -1.498 1.00 0.38 C ATOM 259 O4' DT A 9 -5.177 -10.570 -2.662 1.00 0.37 O ATOM 260 C3' DT A 9 -5.025 -12.850 -1.948 1.00 0.48 C ATOM 261 O3' DT A 9 -6.297 -13.448 -1.675 1.00 0.52 O ATOM 262 C2' DT A 9 -4.678 -12.738 -3.387 1.00 0.49 C ATOM 263 C1' DT A 9 -5.177 -11.382 -3.836 1.00 0.40 C ATOM 264 N1 DT A 9 -4.158 -10.822 -4.751 1.00 0.43 N ATOM 265 C2 DT A 9 -4.514 -10.398 -6.016 1.00 0.44 C ATOM 266 O2 DT A 9 -5.657 -10.434 -6.458 1.00 0.45 O ATOM 267 N3 DT A 9 -3.484 -9.914 -6.785 1.00 0.48 N ATOM 268 C4 DT A 9 -2.161 -9.816 -6.420 1.00 0.51 C ATOM 269 O4 DT A 9 -1.358 -9.352 -7.223 1.00 0.57 O ATOM 270 C5 DT A 9 -1.876 -10.283 -5.085 1.00 0.49 C ATOM 271 C7 DT A 9 -0.451 -10.279 -4.527 1.00 0.53 C ATOM 272 C6 DT A 9 -2.864 -10.754 -4.317 1.00 0.45 C ATOM 0 H5' DT A 9 -3.977 -9.998 -0.330 1.00 0.39 H new ATOM 0 H5'' DT A 9 -3.960 -11.628 0.314 1.00 0.39 H new ATOM 0 H4' DT A 9 -6.006 -11.266 -0.898 1.00 0.38 H new ATOM 0 H3' DT A 9 -4.290 -13.483 -1.450 1.00 0.48 H new ATOM 0 H2' DT A 9 -3.602 -12.826 -3.536 1.00 0.49 H new ATOM 0 H2'' DT A 9 -5.146 -13.536 -3.964 1.00 0.49 H new ATOM 0 H1' DT A 9 -6.154 -11.431 -4.316 1.00 0.40 H new ATOM 0 H3 DT A 9 -3.725 -9.594 -7.723 1.00 0.48 H new ATOM 0 H71 DT A 9 0.259 -10.414 -5.342 1.00 0.53 H new ATOM 0 H72 DT A 9 -0.257 -9.328 -4.031 1.00 0.53 H new ATOM 0 H73 DT A 9 -0.339 -11.092 -3.810 1.00 0.53 H new ATOM 0 H6 DT A 9 -2.631 -11.093 -3.318 1.00 0.45 H new ATOM 285 P DA A 10 -6.635 -14.988 -1.995 1.00 0.64 P ATOM 286 OP1 DA A 10 -7.997 -15.281 -1.495 1.00 0.70 O ATOM 287 OP2 DA A 10 -5.494 -15.826 -1.568 1.00 0.74 O ATOM 288 O5' DA A 10 -6.671 -14.973 -3.608 1.00 0.64 O ATOM 289 C5' DA A 10 -7.687 -14.291 -4.364 1.00 0.59 C ATOM 290 C4' DA A 10 -7.340 -14.285 -5.845 1.00 0.60 C ATOM 291 O4' DA A 10 -6.142 -13.550 -6.073 1.00 0.62 O ATOM 292 C3' DA A 10 -7.021 -15.695 -6.366 1.00 0.71 C ATOM 293 O3' DA A 10 -8.151 -16.370 -6.925 1.00 0.76 O ATOM 294 C2' DA A 10 -5.887 -15.468 -7.349 1.00 0.74 C ATOM 295 C1' DA A 10 -5.715 -13.964 -7.367 1.00 0.67 C ATOM 296 N9 DA A 10 -4.342 -13.509 -7.489 1.00 0.75 N ATOM 297 C8 DA A 10 -3.358 -13.639 -6.570 1.00 0.82 C ATOM 298 N7 DA A 10 -2.219 -13.105 -6.936 1.00 0.90 N ATOM 299 C5 DA A 10 -2.501 -12.586 -8.204 1.00 0.87 C ATOM 300 C6 DA A 10 -1.740 -11.889 -9.158 1.00 0.93 C ATOM 301 N6 DA A 10 -0.465 -11.545 -9.019 1.00 1.07 N ATOM 302 N1 DA A 10 -2.359 -11.541 -10.291 1.00 0.89 N ATOM 303 C2 DA A 10 -3.632 -11.851 -10.485 1.00 0.83 C ATOM 304 N3 DA A 10 -4.447 -12.495 -9.674 1.00 0.78 N ATOM 305 C4 DA A 10 -3.801 -12.836 -8.539 1.00 0.79 C ATOM 0 H5' DA A 10 -7.789 -13.267 -4.005 1.00 0.59 H new ATOM 0 H5'' DA A 10 -8.650 -14.779 -4.213 1.00 0.59 H new ATOM 0 H4' DA A 10 -8.208 -13.857 -6.347 1.00 0.60 H new ATOM 0 H3' DA A 10 -6.734 -16.376 -5.565 1.00 0.71 H new ATOM 0 H2' DA A 10 -4.974 -15.971 -7.029 1.00 0.74 H new ATOM 0 H2'' DA A 10 -6.133 -15.854 -8.338 1.00 0.74 H new ATOM 0 HO3' DA A 10 -7.880 -17.258 -7.238 1.00 0.76 H new ATOM 0 H1' DA A 10 -6.260 -13.566 -8.223 1.00 0.67 H new ATOM 0 H8 DA A 10 -3.498 -14.137 -5.622 1.00 0.82 H new ATOM 0 H61 DA A 10 0.011 -11.038 -9.765 1.00 1.07 H new ATOM 0 H62 DA A 10 0.039 -11.788 -8.166 1.00 1.07 H new ATOM 0 H2 DA A 10 -4.056 -11.536 -11.427 1.00 0.83 H new TER 318 DA A 10 ATOM 319 O5' DT B 1 0.332 -9.399 -18.063 1.00 2.03 O ATOM 320 C5' DT B 1 -0.223 -10.395 -18.935 1.00 1.96 C ATOM 321 C4' DT B 1 -1.638 -10.802 -18.503 1.00 1.70 C ATOM 322 O4' DT B 1 -1.652 -11.359 -17.176 1.00 1.58 O ATOM 323 C3' DT B 1 -2.635 -9.641 -18.486 1.00 1.60 C ATOM 324 O3' DT B 1 -3.922 -10.134 -18.885 1.00 1.44 O ATOM 325 C2' DT B 1 -2.589 -9.211 -17.043 1.00 1.50 C ATOM 326 C1' DT B 1 -2.424 -10.525 -16.298 1.00 1.41 C ATOM 327 N1 DT B 1 -1.643 -10.380 -15.044 1.00 1.38 N ATOM 328 C2 DT B 1 -2.272 -10.646 -13.842 1.00 1.16 C ATOM 329 O2 DT B 1 -3.448 -10.979 -13.738 1.00 1.04 O ATOM 330 N3 DT B 1 -1.495 -10.517 -12.723 1.00 1.12 N ATOM 331 C4 DT B 1 -0.177 -10.154 -12.663 1.00 1.30 C ATOM 332 O4 DT B 1 0.367 -10.098 -11.562 1.00 1.25 O ATOM 333 C5 DT B 1 0.417 -9.888 -13.955 1.00 1.55 C ATOM 334 C7 DT B 1 1.889 -9.472 -14.055 1.00 1.79 C ATOM 335 C6 DT B 1 -0.321 -10.007 -15.079 1.00 1.58 C ATOM 0 H5' DT B 1 0.422 -11.273 -18.942 1.00 1.96 H new ATOM 0 H5'' DT B 1 -0.250 -10.012 -19.955 1.00 1.96 H new ATOM 0 H4' DT B 1 -1.938 -11.534 -19.252 1.00 1.70 H new ATOM 0 H3' DT B 1 -2.417 -8.815 -19.163 1.00 1.60 H new ATOM 0 H2' DT B 1 -1.759 -8.532 -16.851 1.00 1.50 H new ATOM 0 H2'' DT B 1 -3.501 -8.692 -16.748 1.00 1.50 H new ATOM 0 HO5' DT B 1 1.160 -9.738 -17.664 1.00 2.03 H new ATOM 0 H1' DT B 1 -3.406 -10.917 -16.034 1.00 1.41 H new ATOM 0 H3 DT B 1 -1.950 -10.714 -11.832 1.00 1.12 H new ATOM 0 H71 DT B 1 2.301 -9.818 -15.003 1.00 1.79 H new ATOM 0 H72 DT B 1 1.965 -8.386 -14.001 1.00 1.79 H new ATOM 0 H73 DT B 1 2.449 -9.916 -13.232 1.00 1.79 H new ATOM 0 H6 DT B 1 0.141 -9.803 -16.034 1.00 1.58 H new ATOM 349 P DA B 2 -5.124 -9.134 -19.285 1.00 1.39 P ATOM 350 OP1 DA B 2 -6.220 -9.944 -19.866 1.00 1.29 O ATOM 351 OP2 DA B 2 -4.553 -8.009 -20.060 1.00 1.66 O ATOM 352 O5' DA B 2 -5.590 -8.571 -17.847 1.00 1.22 O ATOM 353 C5' DA B 2 -6.790 -9.009 -17.188 1.00 1.16 C ATOM 354 C4' DA B 2 -6.977 -8.314 -15.839 1.00 1.02 C ATOM 355 O4' DA B 2 -5.959 -8.651 -14.876 1.00 0.91 O ATOM 356 C3' DA B 2 -6.900 -6.784 -15.968 1.00 0.99 C ATOM 357 O3' DA B 2 -8.237 -6.260 -16.030 1.00 1.06 O ATOM 358 C2' DA B 2 -6.050 -6.374 -14.765 1.00 0.88 C ATOM 359 C1' DA B 2 -5.973 -7.612 -13.891 1.00 0.80 C ATOM 360 N9 DA B 2 -4.725 -7.679 -13.111 1.00 0.75 N ATOM 361 C8 DA B 2 -3.468 -7.294 -13.486 1.00 0.81 C ATOM 362 N7 DA B 2 -2.555 -7.498 -12.578 1.00 0.76 N ATOM 363 C5 DA B 2 -3.269 -8.060 -11.524 1.00 0.65 C ATOM 364 C6 DA B 2 -2.888 -8.509 -10.256 1.00 0.57 C ATOM 365 N6 DA B 2 -1.634 -8.463 -9.824 1.00 0.59 N ATOM 366 N1 DA B 2 -3.842 -9.009 -9.456 1.00 0.49 N ATOM 367 C2 DA B 2 -5.100 -9.063 -9.886 1.00 0.46 C ATOM 368 N3 DA B 2 -5.575 -8.671 -11.061 1.00 0.53 N ATOM 369 C4 DA B 2 -4.592 -8.173 -11.840 1.00 0.63 C ATOM 0 H5' DA B 2 -6.751 -10.088 -17.040 1.00 1.16 H new ATOM 0 H5'' DA B 2 -7.651 -8.806 -17.825 1.00 1.16 H new ATOM 0 H4' DA B 2 -7.957 -8.656 -15.507 1.00 1.02 H new ATOM 0 H3' DA B 2 -6.437 -6.388 -16.872 1.00 0.99 H new ATOM 0 H2' DA B 2 -5.057 -6.050 -15.077 1.00 0.88 H new ATOM 0 H2'' DA B 2 -6.503 -5.541 -14.228 1.00 0.88 H new ATOM 0 H1' DA B 2 -6.778 -7.657 -13.158 1.00 0.80 H new ATOM 0 H8 DA B 2 -3.250 -6.859 -14.450 1.00 0.81 H new ATOM 0 H61 DA B 2 -1.404 -8.803 -8.890 1.00 0.59 H new ATOM 0 H62 DA B 2 -0.901 -8.088 -10.426 1.00 0.59 H new ATOM 0 H2 DA B 2 -5.821 -9.475 -9.196 1.00 0.46 H new ATOM 381 P DG B 3 -8.632 -4.741 -15.664 1.00 1.05 P ATOM 382 OP1 DG B 3 -10.057 -4.528 -15.994 1.00 1.18 O ATOM 383 OP2 DG B 3 -7.597 -3.823 -16.193 1.00 1.06 O ATOM 384 O5' DG B 3 -8.517 -4.777 -14.066 1.00 0.89 O ATOM 385 C5' DG B 3 -9.318 -5.694 -13.305 1.00 0.80 C ATOM 386 C4' DG B 3 -8.899 -5.684 -11.849 1.00 0.65 C ATOM 387 O4' DG B 3 -7.509 -6.041 -11.694 1.00 0.62 O ATOM 388 C3' DG B 3 -9.051 -4.304 -11.209 1.00 0.64 C ATOM 389 O3' DG B 3 -10.269 -4.262 -10.456 1.00 0.61 O ATOM 390 C2' DG B 3 -7.788 -4.222 -10.372 1.00 0.55 C ATOM 391 C1' DG B 3 -7.166 -5.599 -10.380 1.00 0.49 C ATOM 392 N9 DG B 3 -5.701 -5.452 -10.217 1.00 0.46 N ATOM 393 C8 DG B 3 -4.845 -4.880 -11.104 1.00 0.52 C ATOM 394 N7 DG B 3 -3.595 -4.868 -10.736 1.00 0.50 N ATOM 395 C5 DG B 3 -3.625 -5.487 -9.490 1.00 0.41 C ATOM 396 C6 DG B 3 -2.566 -5.771 -8.578 1.00 0.37 C ATOM 397 O6 DG B 3 -1.361 -5.552 -8.653 1.00 0.41 O ATOM 398 N1 DG B 3 -3.032 -6.394 -7.453 1.00 0.31 N ATOM 399 C2 DG B 3 -4.336 -6.714 -7.216 1.00 0.30 C ATOM 400 N2 DG B 3 -4.587 -7.298 -6.068 1.00 0.27 N ATOM 401 N3 DG B 3 -5.338 -6.463 -8.050 1.00 0.34 N ATOM 402 C4 DG B 3 -4.910 -5.846 -9.168 1.00 0.39 C ATOM 0 H5' DG B 3 -9.215 -6.700 -13.712 1.00 0.80 H new ATOM 0 H5'' DG B 3 -10.370 -5.422 -13.388 1.00 0.80 H new ATOM 0 H4' DG B 3 -9.554 -6.408 -11.364 1.00 0.65 H new ATOM 0 H3' DG B 3 -9.135 -3.457 -11.890 1.00 0.64 H new ATOM 0 H2' DG B 3 -7.099 -3.485 -10.784 1.00 0.55 H new ATOM 0 H2'' DG B 3 -8.019 -3.909 -9.354 1.00 0.55 H new ATOM 0 H1' DG B 3 -7.494 -6.282 -9.596 1.00 0.49 H new ATOM 0 H8 DG B 3 -5.176 -4.466 -12.045 1.00 0.52 H new ATOM 0 H1 DG B 3 -2.350 -6.638 -6.735 1.00 0.31 H new ATOM 0 H21 DG B 3 -5.542 -7.563 -5.829 1.00 0.27 H new ATOM 0 H22 DG B 3 -3.827 -7.486 -5.415 1.00 0.27 H new ATOM 414 P DC B 4 -10.772 -2.937 -9.679 1.00 0.63 P ATOM 415 OP1 DC B 4 -12.199 -3.129 -9.336 1.00 0.68 O ATOM 416 OP2 DC B 4 -10.355 -1.745 -10.451 1.00 0.74 O ATOM 417 O5' DC B 4 -9.908 -3.000 -8.326 1.00 0.56 O ATOM 418 C5' DC B 4 -10.143 -4.032 -7.359 1.00 0.46 C ATOM 419 C4' DC B 4 -8.996 -4.134 -6.367 1.00 0.36 C ATOM 420 O4' DC B 4 -7.741 -4.384 -7.029 1.00 0.34 O ATOM 421 C3' DC B 4 -8.738 -2.839 -5.610 1.00 0.41 C ATOM 422 O3' DC B 4 -9.630 -2.785 -4.479 1.00 0.46 O ATOM 423 C2' DC B 4 -7.304 -2.983 -5.191 1.00 0.34 C ATOM 424 C1' DC B 4 -6.685 -4.024 -6.121 1.00 0.30 C ATOM 425 N1 DC B 4 -5.455 -3.533 -6.795 1.00 0.32 N ATOM 426 C2 DC B 4 -4.253 -3.645 -6.101 1.00 0.26 C ATOM 427 O2 DC B 4 -4.204 -4.118 -4.970 1.00 0.25 O ATOM 428 N3 DC B 4 -3.113 -3.211 -6.691 1.00 0.28 N ATOM 429 C4 DC B 4 -3.136 -2.685 -7.917 1.00 0.36 C ATOM 430 N4 DC B 4 -1.984 -2.291 -8.447 1.00 0.39 N ATOM 431 C5 DC B 4 -4.362 -2.557 -8.652 1.00 0.42 C ATOM 432 C6 DC B 4 -5.493 -2.993 -8.053 1.00 0.40 C ATOM 0 H5' DC B 4 -10.272 -4.987 -7.868 1.00 0.46 H new ATOM 0 H5'' DC B 4 -11.071 -3.828 -6.825 1.00 0.46 H new ATOM 0 H4' DC B 4 -9.306 -4.940 -5.701 1.00 0.36 H new ATOM 0 H3' DC B 4 -8.906 -1.925 -6.179 1.00 0.41 H new ATOM 0 H2' DC B 4 -6.779 -2.031 -5.270 1.00 0.34 H new ATOM 0 H2'' DC B 4 -7.233 -3.301 -4.151 1.00 0.34 H new ATOM 0 H1' DC B 4 -6.328 -4.897 -5.576 1.00 0.30 H new ATOM 0 H41 DC B 4 -1.965 -1.885 -9.382 1.00 0.39 H new ATOM 0 H42 DC B 4 -1.118 -2.395 -7.919 1.00 0.39 H new ATOM 0 H5 DC B 4 -4.380 -2.130 -9.644 1.00 0.42 H new ATOM 0 H6 DC B 4 -6.437 -2.915 -8.572 1.00 0.40 H new ATOM 444 P DT B 5 -9.684 -1.599 -3.370 1.00 0.48 P ATOM 445 OP1 DT B 5 -11.108 -1.260 -3.146 1.00 0.60 O ATOM 446 OP2 DT B 5 -8.733 -0.536 -3.772 1.00 0.54 O ATOM 447 O5' DT B 5 -9.116 -2.295 -2.019 1.00 0.46 O ATOM 448 C5' DT B 5 -7.719 -2.577 -1.849 1.00 0.39 C ATOM 449 C4' DT B 5 -7.103 -1.966 -0.601 1.00 0.38 C ATOM 450 O4' DT B 5 -5.666 -2.087 -0.753 1.00 0.36 O ATOM 451 C3' DT B 5 -7.365 -0.467 -0.399 1.00 0.39 C ATOM 452 O3' DT B 5 -7.469 -0.159 0.999 1.00 0.40 O ATOM 453 C2' DT B 5 -6.203 0.209 -1.058 1.00 0.35 C ATOM 454 C1' DT B 5 -5.057 -0.790 -0.929 1.00 0.35 C ATOM 455 N1 DT B 5 -4.198 -0.704 -2.140 1.00 0.34 N ATOM 456 C2 DT B 5 -2.817 -0.705 -1.974 1.00 0.36 C ATOM 457 O2 DT B 5 -2.242 -0.787 -0.891 1.00 0.39 O ATOM 458 N3 DT B 5 -2.082 -0.599 -3.128 1.00 0.35 N ATOM 459 C4 DT B 5 -2.572 -0.492 -4.403 1.00 0.34 C ATOM 460 O4 DT B 5 -1.802 -0.415 -5.349 1.00 0.34 O ATOM 461 C5 DT B 5 -3.998 -0.495 -4.494 1.00 0.33 C ATOM 462 C7 DT B 5 -4.660 -0.334 -5.852 1.00 0.36 C ATOM 463 C6 DT B 5 -4.753 -0.602 -3.398 1.00 0.33 C ATOM 0 H5' DT B 5 -7.178 -2.212 -2.722 1.00 0.39 H new ATOM 0 H5'' DT B 5 -7.580 -3.658 -1.816 1.00 0.39 H new ATOM 0 H4' DT B 5 -7.546 -2.490 0.246 1.00 0.38 H new ATOM 0 H3' DT B 5 -8.307 -0.132 -0.833 1.00 0.39 H new ATOM 0 H2' DT B 5 -6.416 0.436 -2.103 1.00 0.35 H new ATOM 0 H2'' DT B 5 -5.963 1.153 -0.569 1.00 0.35 H new ATOM 0 H1' DT B 5 -4.406 -0.587 -0.079 1.00 0.35 H new ATOM 0 H3 DT B 5 -1.067 -0.600 -3.026 1.00 0.35 H new ATOM 0 H71 DT B 5 -5.614 -0.861 -5.856 1.00 0.36 H new ATOM 0 H72 DT B 5 -4.829 0.724 -6.051 1.00 0.36 H new ATOM 0 H73 DT B 5 -4.013 -0.750 -6.624 1.00 0.36 H new ATOM 0 H6 DT B 5 -5.828 -0.609 -3.500 1.00 0.33 H new ATOM 476 P DA B 6 -7.762 1.350 1.498 1.00 0.37 P ATOM 477 OP1 DA B 6 -8.109 1.303 2.937 1.00 0.45 O ATOM 478 OP2 DA B 6 -8.689 1.991 0.538 1.00 0.39 O ATOM 479 O5' DA B 6 -6.310 2.041 1.332 1.00 0.35 O ATOM 480 C5' DA B 6 -5.304 1.937 2.353 1.00 0.34 C ATOM 481 C4' DA B 6 -4.105 2.847 2.083 1.00 0.31 C ATOM 482 O4' DA B 6 -3.318 2.368 0.974 1.00 0.32 O ATOM 483 C3' DA B 6 -4.495 4.297 1.744 1.00 0.28 C ATOM 484 O3' DA B 6 -4.142 5.182 2.817 1.00 0.28 O ATOM 485 C2' DA B 6 -3.766 4.561 0.442 1.00 0.26 C ATOM 486 C1' DA B 6 -2.708 3.480 0.311 1.00 0.27 C ATOM 487 N9 DA B 6 -2.546 3.095 -1.099 1.00 0.27 N ATOM 488 C8 DA B 6 -3.518 2.767 -2.008 1.00 0.26 C ATOM 489 N7 DA B 6 -3.062 2.479 -3.192 1.00 0.26 N ATOM 490 C5 DA B 6 -1.687 2.626 -3.049 1.00 0.27 C ATOM 491 C6 DA B 6 -0.629 2.465 -3.938 1.00 0.28 C ATOM 492 N6 DA B 6 -0.816 2.119 -5.202 1.00 0.29 N ATOM 493 N1 DA B 6 0.612 2.686 -3.482 1.00 0.31 N ATOM 494 C2 DA B 6 0.791 3.046 -2.216 1.00 0.31 C ATOM 495 N3 DA B 6 -0.127 3.231 -1.284 1.00 0.29 N ATOM 496 C4 DA B 6 -1.363 3.000 -1.778 1.00 0.27 C ATOM 0 H5' DA B 6 -4.964 0.903 2.421 1.00 0.34 H new ATOM 0 H5'' DA B 6 -5.741 2.193 3.318 1.00 0.34 H new ATOM 0 H4' DA B 6 -3.541 2.830 3.016 1.00 0.31 H new ATOM 0 H3' DA B 6 -5.566 4.462 1.625 1.00 0.28 H new ATOM 0 H2' DA B 6 -4.456 4.532 -0.401 1.00 0.26 H new ATOM 0 H2'' DA B 6 -3.310 5.551 0.447 1.00 0.26 H new ATOM 0 H1' DA B 6 -1.740 3.792 0.702 1.00 0.27 H new ATOM 0 H8 DA B 6 -4.570 2.749 -1.763 1.00 0.26 H new ATOM 0 H61 DA B 6 -0.016 2.010 -5.825 1.00 0.29 H new ATOM 0 H62 DA B 6 -1.761 1.961 -5.553 1.00 0.29 H new ATOM 0 H2 DA B 6 1.814 3.208 -1.911 1.00 0.31 H new ATOM 508 P DG B 7 -4.201 6.790 2.667 1.00 0.27 P ATOM 509 OP1 DG B 7 -3.884 7.394 3.980 1.00 0.32 O ATOM 510 OP2 DG B 7 -5.441 7.168 1.950 1.00 0.37 O ATOM 511 O5' DG B 7 -2.943 7.047 1.693 1.00 0.27 O ATOM 512 C5' DG B 7 -1.637 6.721 2.185 1.00 0.23 C ATOM 513 C4' DG B 7 -0.534 6.867 1.167 1.00 0.26 C ATOM 514 O4' DG B 7 -0.728 5.969 0.067 1.00 0.26 O ATOM 515 C3' DG B 7 -0.506 8.248 0.526 1.00 0.25 C ATOM 516 O3' DG B 7 0.330 9.170 1.234 1.00 0.26 O ATOM 517 C2' DG B 7 0.031 7.946 -0.829 1.00 0.25 C ATOM 518 C1' DG B 7 0.118 6.454 -0.978 1.00 0.23 C ATOM 519 N9 DG B 7 -0.481 6.122 -2.274 1.00 0.22 N ATOM 520 C8 DG B 7 -1.802 5.984 -2.483 1.00 0.23 C ATOM 521 N7 DG B 7 -2.128 5.672 -3.710 1.00 0.25 N ATOM 522 C5 DG B 7 -0.893 5.603 -4.363 1.00 0.23 C ATOM 523 C6 DG B 7 -0.569 5.306 -5.725 1.00 0.24 C ATOM 524 O6 DG B 7 -1.288 5.017 -6.678 1.00 0.29 O ATOM 525 N1 DG B 7 0.787 5.353 -5.943 1.00 0.25 N ATOM 526 C2 DG B 7 1.728 5.644 -4.993 1.00 0.24 C ATOM 527 N2 DG B 7 2.977 5.659 -5.406 1.00 0.25 N ATOM 528 N3 DG B 7 1.450 5.918 -3.724 1.00 0.25 N ATOM 529 C4 DG B 7 0.121 5.881 -3.480 1.00 0.22 C ATOM 0 H5' DG B 7 -1.645 5.694 2.549 1.00 0.23 H new ATOM 0 H5'' DG B 7 -1.414 7.360 3.039 1.00 0.23 H new ATOM 0 H4' DG B 7 0.383 6.669 1.722 1.00 0.26 H new ATOM 0 H3' DG B 7 -1.480 8.738 0.521 1.00 0.25 H new ATOM 0 H2' DG B 7 -0.617 8.367 -1.597 1.00 0.25 H new ATOM 0 H2'' DG B 7 1.014 8.399 -0.958 1.00 0.25 H new ATOM 0 H1' DG B 7 1.128 6.046 -0.927 1.00 0.23 H new ATOM 0 H8 DG B 7 -2.534 6.120 -1.701 1.00 0.23 H new ATOM 0 H1 DG B 7 1.118 5.155 -6.887 1.00 0.25 H new ATOM 0 H21 DG B 7 3.729 5.869 -4.749 1.00 0.25 H new ATOM 0 H22 DG B 7 3.194 5.461 -6.383 1.00 0.25 H new ATOM 541 P DC B 8 0.384 10.731 0.807 1.00 0.30 P ATOM 542 OP1 DC B 8 1.165 11.447 1.842 1.00 0.36 O ATOM 543 OP2 DC B 8 -0.991 11.176 0.489 1.00 0.37 O ATOM 544 O5' DC B 8 1.241 10.714 -0.567 1.00 0.27 O ATOM 545 C5' DC B 8 2.675 10.623 -0.558 1.00 0.28 C ATOM 546 C4' DC B 8 3.280 10.522 -1.957 1.00 0.26 C ATOM 547 O4' DC B 8 2.881 9.336 -2.660 1.00 0.26 O ATOM 548 C3' DC B 8 2.887 11.664 -2.903 1.00 0.29 C ATOM 549 O3' DC B 8 3.629 12.867 -2.620 1.00 0.35 O ATOM 550 C2' DC B 8 3.342 11.043 -4.199 1.00 0.28 C ATOM 551 C1' DC B 8 2.969 9.583 -4.076 1.00 0.24 C ATOM 552 N1 DC B 8 1.727 9.204 -4.788 1.00 0.23 N ATOM 553 C2 DC B 8 1.783 9.003 -6.158 1.00 0.25 C ATOM 554 O2 DC B 8 2.825 9.167 -6.785 1.00 0.29 O ATOM 555 N3 DC B 8 0.654 8.624 -6.806 1.00 0.28 N ATOM 556 C4 DC B 8 -0.491 8.446 -6.145 1.00 0.30 C ATOM 557 N4 DC B 8 -1.566 8.064 -6.824 1.00 0.35 N ATOM 558 C5 DC B 8 -0.563 8.652 -4.733 1.00 0.29 C ATOM 559 C6 DC B 8 0.561 9.029 -4.107 1.00 0.26 C ATOM 0 H5' DC B 8 2.974 9.751 0.024 1.00 0.28 H new ATOM 0 H5'' DC B 8 3.085 11.498 -0.054 1.00 0.28 H new ATOM 0 H4' DC B 8 4.348 10.540 -1.738 1.00 0.26 H new ATOM 0 H3' DC B 8 1.844 11.977 -2.858 1.00 0.29 H new ATOM 0 H2' DC B 8 2.851 11.507 -5.054 1.00 0.28 H new ATOM 0 H2'' DC B 8 4.415 11.167 -4.342 1.00 0.28 H new ATOM 0 H1' DC B 8 3.722 8.962 -4.562 1.00 0.24 H new ATOM 0 H41 DC B 8 -2.452 7.922 -6.339 1.00 0.35 H new ATOM 0 H42 DC B 8 -1.506 7.913 -7.831 1.00 0.35 H new ATOM 0 H5 DC B 8 -1.486 8.510 -4.191 1.00 0.29 H new ATOM 0 H6 DC B 8 0.541 9.197 -3.040 1.00 0.26 H new ATOM 571 P DT B 9 3.544 14.147 -3.610 1.00 0.45 P ATOM 572 OP1 DT B 9 4.409 15.232 -3.094 1.00 0.55 O ATOM 573 OP2 DT B 9 2.121 14.414 -3.918 1.00 0.53 O ATOM 574 O5' DT B 9 4.237 13.571 -4.946 1.00 0.43 O ATOM 575 C5' DT B 9 5.653 13.335 -5.079 1.00 0.40 C ATOM 576 C4' DT B 9 6.065 13.571 -6.525 1.00 0.39 C ATOM 577 O4' DT B 9 5.457 12.619 -7.414 1.00 0.38 O ATOM 578 C3' DT B 9 5.685 14.959 -6.973 1.00 0.48 C ATOM 579 O3' DT B 9 6.852 15.541 -7.568 1.00 0.52 O ATOM 580 C2' DT B 9 4.556 14.721 -7.907 1.00 0.49 C ATOM 581 C1' DT B 9 4.734 13.312 -8.431 1.00 0.39 C ATOM 582 N1 DT B 9 3.389 12.699 -8.504 1.00 0.41 N ATOM 583 C2 DT B 9 2.939 12.144 -9.685 1.00 0.42 C ATOM 584 O2 DT B 9 3.597 12.101 -10.720 1.00 0.40 O ATOM 585 N3 DT B 9 1.670 11.621 -9.642 1.00 0.47 N ATOM 586 C4 DT B 9 0.825 11.601 -8.556 1.00 0.50 C ATOM 587 O4 DT B 9 -0.281 11.087 -8.676 1.00 0.56 O ATOM 588 C5 DT B 9 1.374 12.203 -7.364 1.00 0.49 C ATOM 589 C7 DT B 9 0.559 12.299 -6.073 1.00 0.53 C ATOM 590 C6 DT B 9 2.609 12.715 -7.382 1.00 0.45 C ATOM 0 H5' DT B 9 5.893 12.314 -4.782 1.00 0.40 H new ATOM 0 H5'' DT B 9 6.208 13.999 -4.417 1.00 0.40 H new ATOM 0 H4' DT B 9 7.148 13.452 -6.564 1.00 0.39 H new ATOM 0 H3' DT B 9 5.368 15.658 -6.199 1.00 0.48 H new ATOM 0 H2' DT B 9 3.599 14.829 -7.397 1.00 0.49 H new ATOM 0 H2'' DT B 9 4.566 15.444 -8.722 1.00 0.49 H new ATOM 0 H1' DT B 9 5.233 13.282 -9.400 1.00 0.39 H new ATOM 0 H3 DT B 9 1.317 11.204 -10.504 1.00 0.47 H new ATOM 0 H71 DT B 9 -0.500 12.379 -6.317 1.00 0.53 H new ATOM 0 H72 DT B 9 0.726 11.407 -5.470 1.00 0.53 H new ATOM 0 H73 DT B 9 0.870 13.180 -5.511 1.00 0.53 H new ATOM 0 H6 DT B 9 3.004 13.156 -6.479 1.00 0.45 H new ATOM 603 P DA B 10 6.884 17.032 -8.174 1.00 0.65 P ATOM 604 OP1 DA B 10 8.267 17.328 -8.610 1.00 0.72 O ATOM 605 OP2 DA B 10 6.192 17.944 -7.235 1.00 0.76 O ATOM 606 O5' DA B 10 5.956 16.859 -9.482 1.00 0.65 O ATOM 607 C5' DA B 10 6.348 16.075 -10.622 1.00 0.60 C ATOM 608 C4' DA B 10 5.191 15.937 -11.599 1.00 0.61 C ATOM 609 O4' DA B 10 4.114 15.223 -11.001 1.00 0.64 O ATOM 610 C3' DA B 10 4.579 17.300 -11.964 1.00 0.72 C ATOM 611 O3' DA B 10 5.136 17.880 -13.146 1.00 0.75 O ATOM 612 C2' DA B 10 3.091 17.015 -12.055 1.00 0.77 C ATOM 613 C1' DA B 10 2.991 15.522 -11.822 1.00 0.68 C ATOM 614 N9 DA B 10 1.828 15.101 -11.061 1.00 0.73 N ATOM 615 C8 DA B 10 1.577 15.351 -9.756 1.00 0.81 C ATOM 616 N7 DA B 10 0.461 14.821 -9.321 1.00 0.91 N ATOM 617 C5 DA B 10 -0.047 14.173 -10.451 1.00 0.88 C ATOM 618 C6 DA B 10 -1.202 13.411 -10.696 1.00 0.96 C ATOM 619 N6 DA B 10 -2.135 13.124 -9.794 1.00 1.08 N ATOM 620 N1 DA B 10 -1.365 12.936 -11.934 1.00 0.92 N ATOM 621 C2 DA B 10 -0.466 13.185 -12.875 1.00 0.82 C ATOM 622 N3 DA B 10 0.649 13.879 -12.772 1.00 0.75 N ATOM 623 C4 DA B 10 0.792 14.347 -11.514 1.00 0.78 C ATOM 0 H5' DA B 10 6.676 15.088 -10.296 1.00 0.60 H new ATOM 0 H5'' DA B 10 7.197 16.545 -11.119 1.00 0.60 H new ATOM 0 H4' DA B 10 5.607 15.434 -12.472 1.00 0.61 H new ATOM 0 H3' DA B 10 4.800 18.065 -11.220 1.00 0.72 H new ATOM 0 H2' DA B 10 2.531 17.575 -11.306 1.00 0.77 H new ATOM 0 H2'' DA B 10 2.689 17.295 -13.029 1.00 0.77 H new ATOM 0 HO3' DA B 10 4.704 18.742 -13.323 1.00 0.75 H new ATOM 0 H1' DA B 10 2.935 15.025 -12.791 1.00 0.68 H new ATOM 0 H8 DA B 10 2.236 15.934 -9.130 1.00 0.81 H new ATOM 0 H61 DA B 10 -2.944 12.562 -10.058 1.00 1.08 H new ATOM 0 H62 DA B 10 -2.042 13.465 -8.837 1.00 1.08 H new ATOM 0 H2 DA B 10 -0.673 12.766 -13.849 1.00 0.82 H new TER 636 DA B 10 HETATM 637 C1 DDA A 11 7.004 5.461 -19.236 1.00 0.84 C HETATM 638 C2 DDA A 11 5.861 5.496 -20.253 1.00 0.98 C HETATM 639 C3 DDA A 11 5.104 4.175 -20.292 1.00 1.13 C HETATM 640 C4 DDA A 11 6.126 3.081 -20.576 1.00 1.23 C HETATM 641 C5 DDA A 11 7.222 3.066 -19.502 1.00 1.13 C HETATM 642 C6 DDA A 11 8.284 1.987 -19.774 1.00 1.27 C HETATM 643 O5 DDA A 11 7.868 4.347 -19.496 1.00 0.96 O HETATM 644 O1 DDA A 11 7.728 6.686 -19.299 1.00 0.75 O HETATM 645 O3 DDA A 11 4.142 4.201 -21.330 1.00 1.29 O HETATM 646 O4 DDA A 11 5.492 1.820 -20.696 1.00 1.42 O HETATM 0 HO4 DDA A 11 4.622 1.932 -21.133 1.00 1.42 H new HETATM 0 HO3 DDA A 11 3.291 4.536 -20.979 1.00 1.29 H new HETATM 0 H63 DDA A 11 7.810 1.006 -19.789 1.00 1.27 H new HETATM 0 H62 DDA A 11 8.756 2.176 -20.738 1.00 1.27 H new HETATM 0 H61 DDA A 11 9.039 2.014 -18.988 1.00 1.27 H new HETATM 0 H5 DDA A 11 6.753 2.845 -18.543 1.00 1.13 H new HETATM 0 H4 DDA A 11 6.607 3.298 -21.530 1.00 1.23 H new HETATM 0 H3 DDA A 11 4.589 3.998 -19.348 1.00 1.13 H new HETATM 0 H22 DDA A 11 5.173 6.303 -20.000 1.00 0.98 H new HETATM 0 H21 DDA A 11 6.261 5.716 -21.243 1.00 0.98 H new HETATM 0 H1 DDA A 11 6.594 5.342 -18.233 1.00 0.84 H new HETATM 658 C1 DDA A 12 8.069 8.467 -15.938 1.00 0.33 C HETATM 659 C2 DDA A 12 7.416 7.726 -17.103 1.00 0.47 C HETATM 660 C3 DDA A 12 8.395 7.097 -18.096 1.00 0.55 C HETATM 661 C4 DDA A 12 9.356 8.193 -18.473 1.00 0.49 C HETATM 662 C5 DDA A 12 10.054 8.706 -17.214 1.00 0.35 C HETATM 663 C6 DDA A 12 11.263 9.568 -17.461 1.00 0.33 C HETATM 664 O5 DDA A 12 9.082 9.366 -16.402 1.00 0.32 O HETATM 665 O1 DDA A 12 7.084 9.113 -15.121 1.00 0.31 O HETATM 666 O4 DDA A 12 10.272 7.760 -19.464 1.00 0.58 O HETATM 0 HO4 DDA A 12 9.858 7.058 -20.008 1.00 0.58 H new HETATM 0 H63 DDA A 12 12.007 9.000 -18.020 1.00 0.33 H new HETATM 0 H62 DDA A 12 10.972 10.447 -18.035 1.00 0.33 H new HETATM 0 H61 DDA A 12 11.687 9.882 -16.507 1.00 0.33 H new HETATM 0 H5 DDA A 12 10.467 7.841 -16.695 1.00 0.35 H new HETATM 0 H4 DDA A 12 8.804 9.021 -18.918 1.00 0.49 H new HETATM 0 H22 DDA A 12 6.774 6.942 -16.702 1.00 0.47 H new HETATM 0 H21 DDA A 12 6.772 8.421 -17.641 1.00 0.47 H new HETATM 0 H1 DDA A 12 8.570 7.737 -15.302 1.00 0.33 H new HETATM 677 C1 DDA A 14A 11.402 7.592 -5.304 1.00 0.33 C HETATM 678 C2 DDA A 14A 11.217 6.661 -4.112 1.00 0.39 C HETATM 679 C3 DDA A 14A 11.175 7.465 -2.831 1.00 0.42 C HETATM 680 C4 DDA A 14A 12.337 8.455 -2.687 1.00 0.44 C HETATM 681 C5 DDA A 14A 12.350 9.319 -3.957 1.00 0.38 C HETATM 682 C6 DDA A 14A 13.413 10.385 -4.061 1.00 0.39 C HETATM 683 O5 DDA A 14A 12.507 8.460 -5.080 1.00 0.35 O HETATM 684 O1 DDA A 14A 11.567 6.869 -6.522 1.00 0.34 O HETATM 685 O3 DDA A 14A 11.137 6.557 -1.729 1.00 0.45 O HETATM 686 O4 DDA A 14A 12.149 9.248 -1.530 1.00 0.51 O HETATM 0 HO4 DDA A 14A 11.630 8.744 -0.869 1.00 0.51 H new HETATM 0 H63 DDA A 14A 13.306 11.088 -3.235 1.00 0.39 H new HETATM 0 H62 DDA A 14A 14.399 9.922 -4.017 1.00 0.39 H new HETATM 0 H61 DDA A 14A 13.304 10.917 -5.006 1.00 0.39 H new HETATM 0 H5 DDA A 14A 11.404 9.859 -3.920 1.00 0.38 H new HETATM 0 H4 DDA A 14A 13.291 7.939 -2.575 1.00 0.44 H new HETATM 0 H3 DDA A 14A 10.277 8.082 -2.853 1.00 0.42 H new HETATM 0 H22 DDA A 14A 10.294 6.091 -4.224 1.00 0.39 H new HETATM 0 H21 DDA A 14A 12.034 5.940 -4.072 1.00 0.39 H new HETATM 0 H1 DDA A 14A 10.496 8.189 -5.405 1.00 0.33 H new HETATM 697 C1 DDL A 14B 9.967 6.637 -0.922 1.00 0.41 C HETATM 698 C2 DDL A 14B 9.434 5.254 -0.597 1.00 0.39 C HETATM 699 C3 DDL A 14B 8.176 5.372 0.213 1.00 0.36 C HETATM 700 C4 DDL A 14B 8.407 6.230 1.437 1.00 0.38 C HETATM 701 C5 DDL A 14B 9.060 7.557 1.067 1.00 0.40 C HETATM 702 C6 DDL A 14B 9.407 8.365 2.319 1.00 0.46 C HETATM 703 O5 DDL A 14B 10.233 7.346 0.285 1.00 0.42 O HETATM 704 O3 DDL A 14B 7.783 4.030 0.552 1.00 0.36 O HETATM 705 O4 DDL A 14B 9.168 5.537 2.411 1.00 0.48 O HETATM 0 HO4 DDL A 14B 9.119 4.573 2.240 1.00 0.48 H new HETATM 0 H63 DDL A 14B 8.498 8.569 2.884 1.00 0.46 H new HETATM 0 H62 DDL A 14B 10.100 7.796 2.939 1.00 0.46 H new HETATM 0 H61 DDL A 14B 9.872 9.307 2.027 1.00 0.46 H new HETATM 0 H5 DDL A 14B 8.342 8.124 0.475 1.00 0.40 H new HETATM 0 H4 DDL A 14B 7.433 6.453 1.874 1.00 0.38 H new HETATM 0 H3 DDL A 14B 7.381 5.864 -0.347 1.00 0.36 H new HETATM 0 H22 DDL A 14B 9.235 4.705 -1.518 1.00 0.39 H new HETATM 0 H21 DDL A 14B 10.182 4.687 -0.043 1.00 0.39 H new HETATM 716 C1 DDA B 15 0.864 9.522 4.653 1.00 0.37 C HETATM 717 C2 DDA B 15 -0.251 8.748 5.353 1.00 0.37 C HETATM 718 C3 DDA B 15 -1.530 9.573 5.402 1.00 0.44 C HETATM 719 C4 DDA B 15 -1.198 10.843 6.179 1.00 0.47 C HETATM 720 C5 DDA B 15 -0.074 11.600 5.450 1.00 0.47 C HETATM 721 C6 DDA B 15 0.318 12.905 6.148 1.00 0.61 C HETATM 722 O5 DDA B 15 1.086 10.758 5.345 1.00 0.40 O HETATM 723 O1 DDA B 15 2.051 8.730 4.621 1.00 0.37 O HETATM 724 O3 DDA B 15 -2.565 8.846 6.039 1.00 0.51 O HETATM 725 O4 DDA B 15 -2.350 11.648 6.341 1.00 0.60 O HETATM 0 HO4 DDA B 15 -3.143 11.075 6.405 1.00 0.60 H new HETATM 0 HO3 DDA B 15 -3.057 8.324 5.371 1.00 0.51 H new HETATM 0 H63 DDA B 15 -0.548 13.565 6.198 1.00 0.61 H new HETATM 0 H62 DDA B 15 0.666 12.687 7.158 1.00 0.61 H new HETATM 0 H61 DDA B 15 1.115 13.393 5.587 1.00 0.61 H new HETATM 0 H5 DDA B 15 -0.457 11.860 4.463 1.00 0.47 H new HETATM 0 H4 DDA B 15 -0.851 10.580 7.178 1.00 0.47 H new HETATM 0 H3 DDA B 15 -1.883 9.814 4.399 1.00 0.44 H new HETATM 0 H22 DDA B 15 -0.436 7.812 4.827 1.00 0.37 H new HETATM 0 H21 DDA B 15 0.059 8.489 6.365 1.00 0.37 H new HETATM 0 H1 DDA B 15 0.577 9.745 3.625 1.00 0.37 H new HETATM 737 C1 DDA B 16 4.528 8.508 1.810 1.00 0.30 C HETATM 738 C2 DDA B 16 3.318 8.155 2.658 1.00 0.29 C HETATM 739 C3 DDA B 16 3.088 9.195 3.744 1.00 0.33 C HETATM 740 C4 DDA B 16 4.369 9.395 4.550 1.00 0.40 C HETATM 741 C5 DDA B 16 5.537 9.721 3.617 1.00 0.39 C HETATM 742 C6 DDA B 16 6.837 9.928 4.382 1.00 0.45 C HETATM 743 O5 DDA B 16 5.679 8.657 2.655 1.00 0.35 O HETATM 744 O1 DDA B 16 4.650 7.478 0.817 1.00 0.29 O HETATM 745 O4 DDA B 16 4.183 10.412 5.521 1.00 0.49 O HETATM 0 HO4 DDA B 16 3.231 10.637 5.581 1.00 0.49 H new HETATM 0 H63 DDA B 16 6.720 10.755 5.082 1.00 0.45 H new HETATM 0 H62 DDA B 16 7.084 9.020 4.932 1.00 0.45 H new HETATM 0 H61 DDA B 16 7.639 10.157 3.681 1.00 0.45 H new HETATM 0 H5 DDA B 16 5.320 10.659 3.105 1.00 0.39 H new HETATM 0 H4 DDA B 16 4.608 8.470 5.075 1.00 0.40 H new HETATM 0 H22 DDA B 16 2.434 8.085 2.024 1.00 0.29 H new HETATM 0 H21 DDA B 16 3.462 7.175 3.113 1.00 0.29 H new HETATM 0 H1 DDA B 16 4.426 9.464 1.296 1.00 0.30 H new HETATM 756 C1 DDA B 18A 9.803 12.321 -7.390 1.00 0.28 C HETATM 757 C2 DDA B 18A 9.255 12.993 -8.643 1.00 0.28 C HETATM 758 C3 DDA B 18A 9.899 12.351 -9.883 1.00 0.24 C HETATM 759 C4 DDA B 18A 11.411 12.463 -9.680 1.00 0.27 C HETATM 760 C5 DDA B 18A 11.891 11.813 -8.373 1.00 0.29 C HETATM 761 C6 DDA B 18A 13.356 11.942 -8.036 1.00 0.34 C HETATM 762 O5 DDA B 18A 11.207 12.447 -7.307 1.00 0.31 O HETATM 763 O1 DDA B 18A 9.177 12.721 -6.182 1.00 0.31 O HETATM 764 O3 DDA B 18A 9.466 13.066 -11.056 1.00 0.26 O HETATM 765 O4 DDA B 18A 12.139 11.958 -10.782 1.00 0.30 O HETATM 0 HO4 DDA B 18A 11.689 12.212 -11.615 1.00 0.30 H new HETATM 0 H63 DDA B 18A 13.953 11.484 -8.825 1.00 0.34 H new HETATM 0 H62 DDA B 18A 13.618 12.997 -7.949 1.00 0.34 H new HETATM 0 H61 DDA B 18A 13.557 11.439 -7.090 1.00 0.34 H new HETATM 0 H5 DDA B 18A 11.696 10.750 -8.512 1.00 0.29 H new HETATM 0 H4 DDA B 18A 11.613 13.531 -9.603 1.00 0.27 H new HETATM 0 H3 DDA B 18A 9.615 11.307 -10.015 1.00 0.24 H new HETATM 0 H22 DDA B 18A 8.171 12.885 -8.684 1.00 0.28 H new HETATM 0 H21 DDA B 18A 9.468 14.062 -8.620 1.00 0.28 H new HETATM 0 H1 DDA B 18A 9.552 11.266 -7.505 1.00 0.28 H new HETATM 776 C1 DDL B 18B 9.326 12.314 -12.273 1.00 0.20 C HETATM 777 C2 DDL B 18B 8.165 12.903 -13.087 1.00 0.26 C HETATM 778 C3 DDL B 18B 8.004 12.273 -14.457 1.00 0.29 C HETATM 779 C4 DDL B 18B 9.313 12.383 -15.176 1.00 0.28 C HETATM 780 C5 DDL B 18B 10.428 11.740 -14.360 1.00 0.21 C HETATM 781 C6 DDL B 18B 11.741 11.868 -15.115 1.00 0.30 C HETATM 782 O5 DDL B 18B 10.530 12.344 -13.057 1.00 0.20 O HETATM 783 O3 DDL B 18B 6.975 12.966 -15.183 1.00 0.42 O HETATM 784 O4 DDL B 18B 9.615 13.730 -15.502 1.00 0.36 O HETATM 0 HO4 DDL B 18B 8.782 14.228 -15.639 1.00 0.36 H new HETATM 0 H63 DDL B 18B 11.657 11.365 -16.078 1.00 0.30 H new HETATM 0 H62 DDL B 18B 11.968 12.922 -15.275 1.00 0.30 H new HETATM 0 H61 DDL B 18B 12.541 11.409 -14.534 1.00 0.30 H new HETATM 0 H5 DDL B 18B 10.197 10.685 -14.215 1.00 0.21 H new HETATM 0 H4 DDL B 18B 9.229 11.839 -16.117 1.00 0.28 H new HETATM 0 H3 DDL B 18B 7.719 11.225 -14.369 1.00 0.29 H new HETATM 0 H22 DDL B 18B 7.239 12.777 -12.527 1.00 0.26 H new HETATM 0 H21 DDL B 18B 8.322 13.975 -13.205 1.00 0.26 H new HETATM 795 C1 DDA B 21 -13.661 -4.547 -11.884 1.00 0.83 C HETATM 796 C2 DDA B 21 -13.344 -4.716 -13.372 1.00 0.98 C HETATM 797 C3 DDA B 21 -12.800 -3.427 -13.979 1.00 1.12 C HETATM 798 C4 DDA B 21 -13.826 -2.336 -13.705 1.00 1.22 C HETATM 799 C5 DDA B 21 -14.072 -2.184 -12.197 1.00 1.09 C HETATM 800 C6 DDA B 21 -15.122 -1.103 -11.888 1.00 1.24 C HETATM 801 O5 DDA B 21 -14.546 -3.438 -11.687 1.00 0.94 O HETATM 802 O1 DDA B 21 -14.241 -5.748 -11.387 1.00 0.73 O HETATM 803 O3 DDA B 21 -12.641 -3.584 -15.375 1.00 1.29 O HETATM 804 O4 DDA B 21 -13.428 -1.113 -14.297 1.00 1.40 O HETATM 0 HO4 DDA B 21 -12.983 -1.293 -15.151 1.00 1.40 H new HETATM 0 HO3 DDA B 21 -11.737 -3.911 -15.567 1.00 1.29 H new HETATM 0 H63 DDA B 21 -14.780 -0.143 -12.274 1.00 1.24 H new HETATM 0 H62 DDA B 21 -16.068 -1.369 -12.361 1.00 1.24 H new HETATM 0 H61 DDA B 21 -15.263 -1.031 -10.810 1.00 1.24 H new HETATM 0 H5 DDA B 21 -13.134 -1.886 -11.729 1.00 1.09 H new HETATM 0 H4 DDA B 21 -14.771 -2.629 -14.162 1.00 1.22 H new HETATM 0 H3 DDA B 21 -11.832 -3.174 -13.547 1.00 1.12 H new HETATM 0 H22 DDA B 21 -12.615 -5.516 -13.501 1.00 0.98 H new HETATM 0 H21 DDA B 21 -14.246 -5.018 -13.905 1.00 0.98 H new HETATM 0 H1 DDA B 21 -12.740 -4.344 -11.338 1.00 0.83 H new HETATM 816 C1 DDA B 22 -12.464 -7.184 -8.327 1.00 0.33 C HETATM 817 C2 DDA B 22 -12.653 -6.580 -9.717 1.00 0.46 C HETATM 818 C3 DDA B 22 -14.051 -6.020 -9.991 1.00 0.55 C HETATM 819 C4 DDA B 22 -15.011 -7.117 -9.616 1.00 0.47 C HETATM 820 C5 DDA B 22 -14.809 -7.485 -8.146 1.00 0.32 C HETATM 821 C6 DDA B 22 -15.901 -8.329 -7.544 1.00 0.29 C HETATM 822 O5 DDA B 22 -13.524 -8.093 -8.010 1.00 0.30 O HETATM 823 O1 DDA B 22 -11.166 -7.778 -8.196 1.00 0.29 O HETATM 824 O4 DDA B 22 -16.349 -6.755 -9.906 1.00 0.54 O HETATM 0 HO4 DDA B 22 -16.373 -6.225 -10.730 1.00 0.54 H new HETATM 0 H63 DDA B 22 -16.849 -7.794 -7.604 1.00 0.29 H new HETATM 0 H62 DDA B 22 -15.979 -9.268 -8.092 1.00 0.29 H new HETATM 0 H61 DDA B 22 -15.667 -8.537 -6.500 1.00 0.29 H new HETATM 0 H5 DDA B 22 -14.862 -6.562 -7.568 1.00 0.32 H new HETATM 0 H4 DDA B 22 -14.803 -8.001 -10.219 1.00 0.47 H new HETATM 0 H22 DDA B 22 -11.924 -5.781 -9.852 1.00 0.46 H new HETATM 0 H21 DDA B 22 -12.431 -7.344 -10.462 1.00 0.46 H new HETATM 0 H1 DDA B 22 -12.515 -6.380 -7.593 1.00 0.33 H new HETATM 835 C1 DDA B 24A -8.867 -5.183 2.066 1.00 0.35 C HETATM 836 C2 DDA B 24A -8.041 -4.146 2.819 1.00 0.41 C HETATM 837 C3 DDA B 24A -7.222 -4.825 3.896 1.00 0.44 C HETATM 838 C4 DDA B 24A -8.039 -5.760 4.795 1.00 0.49 C HETATM 839 C5 DDA B 24A -8.774 -6.741 3.871 1.00 0.43 C HETATM 840 C6 DDA B 24A -9.656 -7.778 4.522 1.00 0.46 C HETATM 841 O5 DDA B 24A -9.594 -5.991 2.984 1.00 0.39 O HETATM 842 O1 DDA B 24A -9.745 -4.576 1.121 1.00 0.35 O HETATM 843 O3 DDA B 24A -6.567 -3.815 4.667 1.00 0.52 O HETATM 844 O4 DDA B 24A -7.176 -6.442 5.685 1.00 0.55 O HETATM 0 HO4 DDA B 24A -6.376 -5.900 5.845 1.00 0.55 H new HETATM 0 H63 DDA B 24A -9.056 -8.400 5.186 1.00 0.46 H new HETATM 0 H62 DDA B 24A -10.438 -7.282 5.097 1.00 0.46 H new HETATM 0 H61 DDA B 24A -10.112 -8.402 3.753 1.00 0.46 H new HETATM 0 H5 DDA B 24A -7.973 -7.303 3.391 1.00 0.43 H new HETATM 0 H4 DDA B 24A -8.757 -5.207 5.400 1.00 0.49 H new HETATM 0 H3 DDA B 24A -6.493 -5.470 3.406 1.00 0.44 H new HETATM 0 H22 DDA B 24A -7.383 -3.620 2.127 1.00 0.41 H new HETATM 0 H21 DDA B 24A -8.698 -3.399 3.265 1.00 0.41 H new HETATM 0 H1 DDA B 24A -8.179 -5.816 1.506 1.00 0.35 H new HETATM 855 C1 DDL B 24B -5.146 -3.853 4.626 1.00 0.44 C HETATM 856 C2 DDL B 24B -4.568 -2.463 4.437 1.00 0.40 C HETATM 857 C3 DDL B 24B -3.071 -2.540 4.349 1.00 0.34 C HETATM 858 C4 DDL B 24B -2.504 -3.269 5.547 1.00 0.36 C HETATM 859 C5 DDL B 24B -3.205 -4.604 5.766 1.00 0.41 C HETATM 860 C6 DDL B 24B -2.716 -5.276 7.052 1.00 0.47 C HETATM 861 O5 DDL B 24B -4.619 -4.434 5.817 1.00 0.46 O HETATM 862 O3 DDL B 24B -2.599 -1.185 4.258 1.00 0.35 O HETATM 863 O4 DDL B 24B -2.562 -2.461 6.711 1.00 0.45 O HETATM 0 HO4 DDL B 24B -2.640 -1.519 6.452 1.00 0.45 H new HETATM 0 H63 DDL B 24B -1.642 -5.452 6.985 1.00 0.47 H new HETATM 0 H62 DDL B 24B -2.925 -4.628 7.903 1.00 0.47 H new HETATM 0 H61 DDL B 24B -3.232 -6.227 7.185 1.00 0.47 H new HETATM 0 H5 DDL B 24B -2.959 -5.247 4.921 1.00 0.41 H new HETATM 0 H4 DDL B 24B -1.455 -3.479 5.340 1.00 0.36 H new HETATM 0 H3 DDL B 24B -2.745 -3.107 3.477 1.00 0.34 H new HETATM 0 H22 DDL B 24B -4.972 -2.012 3.530 1.00 0.40 H new HETATM 0 H21 DDL B 24B -4.860 -1.822 5.269 1.00 0.40 H new HETATM 874 C1 DDA A 25 5.578 -6.467 3.960 1.00 0.37 C HETATM 875 C2 DDA A 25 6.865 -5.665 3.782 1.00 0.38 C HETATM 876 C3 DDA A 25 7.950 -6.520 3.143 1.00 0.42 C HETATM 877 C4 DDA A 25 8.184 -7.698 4.083 1.00 0.44 C HETATM 878 C5 DDA A 25 6.872 -8.487 4.240 1.00 0.49 C HETATM 879 C6 DDA A 25 7.013 -9.706 5.155 1.00 0.61 C HETATM 880 O5 DDA A 25 5.850 -7.624 4.763 1.00 0.41 O HETATM 881 O1 DDA A 25 4.578 -5.646 4.562 1.00 0.36 O HETATM 882 O3 DDA A 25 9.136 -5.768 2.968 1.00 0.47 O HETATM 883 O4 DDA A 25 9.234 -8.520 3.606 1.00 0.55 O HETATM 0 HO4 DDA A 25 9.849 -7.983 3.064 1.00 0.55 H new HETATM 0 HO3 DDA A 25 9.119 -5.330 2.091 1.00 0.47 H new HETATM 0 H63 DDA A 25 7.760 -10.385 4.744 1.00 0.61 H new HETATM 0 H62 DDA A 25 7.325 -9.382 6.148 1.00 0.61 H new HETATM 0 H61 DDA A 25 6.055 -10.221 5.226 1.00 0.61 H new HETATM 0 H5 DDA A 25 6.603 -8.853 3.249 1.00 0.49 H new HETATM 0 H4 DDA A 25 8.488 -7.329 5.062 1.00 0.44 H new HETATM 0 H3 DDA A 25 7.648 -6.867 2.155 1.00 0.42 H new HETATM 0 H22 DDA A 25 6.671 -4.791 3.160 1.00 0.38 H new HETATM 0 H21 DDA A 25 7.207 -5.298 4.750 1.00 0.38 H new HETATM 0 H1 DDA A 25 5.206 -6.797 2.990 1.00 0.37 H new HETATM 895 C1 DDA A 26 0.912 -5.620 3.762 1.00 0.28 C HETATM 896 C2 DDA A 26 2.376 -5.224 3.689 1.00 0.28 C HETATM 897 C3 DDA A 26 3.239 -6.161 4.521 1.00 0.34 C HETATM 898 C4 DDA A 26 2.694 -6.241 5.944 1.00 0.39 C HETATM 899 C5 DDA A 26 1.211 -6.620 5.922 1.00 0.37 C HETATM 900 C6 DDA A 26 0.625 -6.711 7.325 1.00 0.43 C HETATM 901 O5 DDA A 26 0.490 -5.650 5.135 1.00 0.34 O HETATM 902 O1 DDA A 26 0.191 -4.688 2.943 1.00 0.24 O HETATM 903 O4 DDA A 26 3.451 -7.165 6.708 1.00 0.51 O HETATM 0 HO4 DDA A 26 4.252 -7.425 6.207 1.00 0.51 H new HETATM 0 H63 DDA A 26 1.162 -7.469 7.895 1.00 0.43 H new HETATM 0 H62 DDA A 26 0.722 -5.746 7.823 1.00 0.43 H new HETATM 0 H61 DDA A 26 -0.429 -6.982 7.262 1.00 0.43 H new HETATM 0 H5 DDA A 26 1.114 -7.609 5.474 1.00 0.37 H new HETATM 0 H4 DDA A 26 2.784 -5.262 6.416 1.00 0.39 H new HETATM 0 H22 DDA A 26 2.710 -5.242 2.651 1.00 0.28 H new HETATM 0 H21 DDA A 26 2.497 -4.201 4.045 1.00 0.28 H new HETATM 0 H1 DDA A 26 0.722 -6.624 3.382 1.00 0.28 H new HETATM 914 C1 DDA A 28A -8.666 -10.138 -0.094 1.00 0.29 C HETATM 915 C2 DDA A 28A -8.946 -10.945 -1.356 1.00 0.29 C HETATM 916 C3 DDA A 28A -10.221 -10.406 -2.026 1.00 0.25 C HETATM 917 C4 DDA A 28A -11.313 -10.451 -0.956 1.00 0.28 C HETATM 918 C5 DDA A 28A -10.946 -9.662 0.310 1.00 0.31 C HETATM 919 C6 DDA A 28A -11.920 -9.712 1.462 1.00 0.39 C HETATM 920 O5 DDA A 28A -9.742 -10.211 0.817 1.00 0.33 O HETATM 921 O1 DDA A 28A -7.434 -10.439 0.540 1.00 0.32 O HETATM 922 O3 DDA A 28A -10.546 -11.245 -3.151 1.00 0.27 O HETATM 923 O4 DDA A 28A -12.570 -10.032 -1.454 1.00 0.30 O HETATM 0 HO4 DDA A 28A -12.694 -10.379 -2.362 1.00 0.30 H new HETATM 0 H63 DDA A 28A -12.883 -9.315 1.142 1.00 0.39 H new HETATM 0 H62 DDA A 28A -12.044 -10.744 1.789 1.00 0.39 H new HETATM 0 H61 DDA A 28A -11.537 -9.113 2.288 1.00 0.39 H new HETATM 0 H5 DDA A 28A -10.908 -8.624 -0.020 1.00 0.31 H new HETATM 0 H4 DDA A 28A -11.394 -11.500 -0.672 1.00 0.28 H new HETATM 0 H3 DDA A 28A -10.104 -9.389 -2.400 1.00 0.25 H new HETATM 0 H22 DDA A 28A -8.102 -10.874 -2.042 1.00 0.29 H new HETATM 0 H21 DDA A 28A -9.068 -11.999 -1.109 1.00 0.29 H new HETATM 0 H1 DDA A 28A -8.566 -9.108 -0.437 1.00 0.29 H new HETATM 934 C1 DDL A 28B -11.179 -10.618 -4.280 1.00 0.22 C HETATM 935 C2 DDL A 28B -10.709 -11.319 -5.563 1.00 0.28 C HETATM 936 C3 DDL A 28B -11.412 -10.831 -6.813 1.00 0.29 C HETATM 937 C4 DDL A 28B -12.888 -10.967 -6.601 1.00 0.28 C HETATM 938 C5 DDL A 28B -13.322 -10.215 -5.350 1.00 0.20 C HETATM 939 C6 DDL A 28B -14.822 -10.373 -5.161 1.00 0.26 C HETATM 940 O5 DDL A 28B -12.612 -10.686 -4.189 1.00 0.21 O HETATM 941 O3 DDL A 28B -10.993 -11.622 -7.937 1.00 0.41 O HETATM 942 O4 DDL A 28B -13.281 -12.330 -6.552 1.00 0.35 O HETATM 0 HO4 DDL A 28B -12.716 -12.855 -7.157 1.00 0.35 H new HETATM 0 H63 DDL A 28B -15.343 -9.967 -6.028 1.00 0.26 H new HETATM 0 H62 DDL A 28B -15.066 -11.430 -5.053 1.00 0.26 H new HETATM 0 H61 DDL A 28B -15.135 -9.835 -4.266 1.00 0.26 H new HETATM 0 H5 DDL A 28B -13.084 -9.159 -5.475 1.00 0.20 H new HETATM 0 H4 DDL A 28B -13.395 -10.518 -7.455 1.00 0.28 H new HETATM 0 H3 DDL A 28B -11.163 -9.789 -7.013 1.00 0.29 H new HETATM 0 H22 DDL A 28B -9.636 -11.168 -5.677 1.00 0.28 H new HETATM 0 H21 DDL A 28B -10.871 -12.392 -5.461 1.00 0.28 H new HETATM 953 MG MG A 19 7.014 8.424 -6.965 1.00 0.19 MG HETATM 954 MG MG B 29 -6.295 -6.308 -1.784 1.00 0.21 MG HETATM 955 C1 CRH A 13 10.072 7.950 -8.036 1.00 0.23 C HETATM 956 C2 CRH A 13 11.549 7.694 -7.687 1.00 0.29 C HETATM 957 C3 CRH A 13 12.366 7.201 -8.913 1.00 0.32 C HETATM 958 C4 CRH A 13 12.127 8.195 -10.034 1.00 0.25 C HETATM 959 C5 CRH A 13 8.664 8.892 -13.313 1.00 0.21 C HETATM 960 C6 CRH A 13 7.364 9.057 -13.760 1.00 0.25 C HETATM 961 C7 CRH A 13 6.342 9.098 -12.825 1.00 0.22 C HETATM 962 C8 CRH A 13 6.643 8.958 -11.474 1.00 0.17 C HETATM 963 C9 CRH A 13 8.329 8.525 -9.694 1.00 0.15 C HETATM 964 C10 CRH A 13 10.281 8.550 -11.648 1.00 0.19 C HETATM 965 C11 CRH A 13 8.967 8.756 -11.985 1.00 0.18 C HETATM 966 C12 CRH A 13 7.962 8.763 -11.024 1.00 0.15 C HETATM 967 C13 CRH A 13 9.676 8.293 -9.329 1.00 0.19 C HETATM 968 C14 CRH A 13 10.641 8.319 -10.341 1.00 0.20 C HETATM 969 C15 CRH A 13 4.941 9.480 -13.280 1.00 0.28 C HETATM 970 O1 CRH A 13 9.220 7.847 -7.154 1.00 0.24 O HETATM 971 O8 CRH A 13 5.577 9.082 -10.615 1.00 0.20 O HETATM 972 O9 CRH A 13 7.307 8.495 -8.769 1.00 0.18 O HETATM 973 C1' CRH A 13 13.893 6.951 -8.701 1.00 0.38 C HETATM 974 C2' CRH A 13 14.696 8.215 -8.369 1.00 0.42 C HETATM 975 C3' CRH A 13 15.978 8.496 -9.156 1.00 0.53 C HETATM 976 C4' CRH A 13 17.221 8.397 -8.259 1.00 0.66 C HETATM 977 C1M CRH A 13 14.240 5.857 -6.484 1.00 0.52 C HETATM 978 C4M CRH A 13 17.494 6.995 -7.737 1.00 0.76 C HETATM 979 O1' CRH A 13 14.333 5.844 -7.908 1.00 0.44 O HETATM 980 O2' CRH A 13 14.342 8.980 -7.469 1.00 0.41 O HETATM 981 O3' CRH A 13 16.008 9.823 -9.696 1.00 0.52 O HETATM 982 O4' CRH A 13 18.326 8.653 -9.114 1.00 0.76 O HETATM 0 H4'3 CRH A 13 16.643 6.654 -7.147 1.00 0.76 H new HETATM 0 H4'2 CRH A 13 17.648 6.318 -8.577 1.00 0.76 H new HETATM 0 H4'1 CRH A 13 18.387 7.007 -7.112 1.00 0.76 H new HETATM 0 H153 CRH A 13 4.958 10.482 -13.710 1.00 0.28 H new HETATM 0 H152 CRH A 13 4.596 8.769 -14.031 1.00 0.28 H new HETATM 0 H151 CRH A 13 4.264 9.463 -12.426 1.00 0.28 H new HETATM 0 H1'3 CRH A 13 14.823 6.689 -6.089 1.00 0.52 H new HETATM 0 H1'2 CRH A 13 13.197 5.972 -6.189 1.00 0.52 H new HETATM 0 H1'1 CRH A 13 14.629 4.920 -6.085 1.00 0.52 H new HETATM 0 HO8 CRH A 13 5.874 8.908 -9.698 1.00 0.20 H new HETATM 0 HO4 CRH A 13 19.157 8.606 -8.597 1.00 0.76 H new HETATM 0 HO3 CRH A 13 16.934 10.075 -9.894 1.00 0.52 H new HETATM 0 H5 CRH A 13 9.473 8.870 -14.043 1.00 0.21 H new HETATM 0 H42 CRH A 13 12.527 9.169 -9.753 1.00 0.25 H new HETATM 0 H41 CRH A 13 12.662 7.876 -10.929 1.00 0.25 H new HETATM 0 H4' CRH A 13 17.073 9.074 -7.417 1.00 0.66 H new HETATM 0 H3' CRH A 13 15.986 7.750 -9.950 1.00 0.53 H new HETATM 0 H3 CRH A 13 12.003 6.199 -9.142 1.00 0.32 H new HETATM 0 H22 CRH A 13 11.994 8.612 -7.302 1.00 0.29 H new HETATM 0 H10 CRH A 13 11.047 8.570 -12.423 1.00 0.19 H new HETATM 0 H1' CRH A 13 14.127 6.616 -9.712 1.00 0.38 H new HETATM 1004 C1 MDA A 29C 6.409 3.870 0.810 1.00 0.33 C HETATM 1005 C2 MDA A 29C 5.893 2.504 0.365 1.00 0.36 C HETATM 1006 C3 MDA A 29C 4.367 2.517 0.385 1.00 0.36 C HETATM 1007 C4 MDA A 29C 3.981 2.845 1.854 1.00 0.39 C HETATM 1008 C5 MDA A 29C 4.600 4.202 2.294 1.00 0.35 C HETATM 1009 C6 MDA A 29C 4.308 4.689 3.706 1.00 0.40 C HETATM 1010 C3' MDA A 29C 3.836 1.187 -0.184 1.00 0.43 C HETATM 1011 O5 MDA A 29C 6.023 4.149 2.146 1.00 0.37 O HETATM 1012 O3 MDA A 29C 3.891 3.542 -0.468 1.00 0.34 O HETATM 1013 O4 MDA A 29C 2.573 2.883 2.012 1.00 0.43 O HETATM 0 H3'3 MDA A 29C 4.185 1.065 -1.209 1.00 0.43 H new HETATM 0 H3'2 MDA A 29C 4.201 0.359 0.425 1.00 0.43 H new HETATM 0 H3'1 MDA A 29C 2.746 1.195 -0.170 1.00 0.43 H new HETATM 0 HO4 MDA A 29C 2.352 2.930 2.966 1.00 0.43 H new HETATM 0 HO3 MDA A 29C 4.139 3.339 -1.394 1.00 0.34 H new HETATM 0 H63 MDA A 29C 3.232 4.811 3.834 1.00 0.40 H new HETATM 0 H62 MDA A 29C 4.678 3.960 4.426 1.00 0.40 H new HETATM 0 H61 MDA A 29C 4.804 5.646 3.871 1.00 0.40 H new HETATM 0 H5 MDA A 29C 4.109 4.919 1.636 1.00 0.35 H new HETATM 0 H4 MDA A 29C 4.380 2.053 2.488 1.00 0.39 H new HETATM 0 H22 MDA A 29C 6.254 2.274 -0.637 1.00 0.36 H new HETATM 0 H21 MDA A 29C 6.271 1.725 1.027 1.00 0.36 H new HETATM 1027 C1 CRH B 17 8.543 10.664 -5.109 1.00 0.26 C HETATM 1028 C2 CRH B 17 9.483 11.877 -5.066 1.00 0.33 C HETATM 1029 C3 CRH B 17 9.353 12.616 -3.722 1.00 0.37 C HETATM 1030 C4 CRH B 17 9.479 11.659 -2.579 1.00 0.35 C HETATM 1031 C5 CRH B 17 6.203 8.820 -0.403 1.00 0.25 C HETATM 1032 C6 CRH B 17 5.225 7.843 -0.388 1.00 0.24 C HETATM 1033 C7 CRH B 17 4.871 7.224 -1.582 1.00 0.23 C HETATM 1034 C8 CRH B 17 5.504 7.575 -2.763 1.00 0.22 C HETATM 1035 C9 CRH B 17 7.096 9.031 -3.964 1.00 0.23 C HETATM 1036 C10 CRH B 17 7.747 10.210 -1.548 1.00 0.29 C HETATM 1037 C11 CRH B 17 6.826 9.187 -1.579 1.00 0.25 C HETATM 1038 C12 CRH B 17 6.489 8.574 -2.789 1.00 0.23 C HETATM 1039 C13 CRH B 17 8.027 10.088 -3.945 1.00 0.25 C HETATM 1040 C14 CRH B 17 8.345 10.653 -2.705 1.00 0.29 C HETATM 1041 C15 CRH B 17 3.632 6.346 -1.679 1.00 0.24 C HETATM 1042 O1 CRH B 17 8.203 10.220 -6.206 1.00 0.24 O HETATM 1043 O8 CRH B 17 5.140 6.835 -3.875 1.00 0.26 O HETATM 1044 O9 CRH B 17 6.740 8.397 -5.136 1.00 0.24 O HETATM 1045 C1' CRH B 17 10.282 13.823 -3.753 1.00 0.43 C HETATM 1046 C2' CRH B 17 10.206 14.692 -2.489 1.00 0.52 C HETATM 1047 C3' CRH B 17 9.277 15.903 -2.491 1.00 0.57 C HETATM 1048 C4' CRH B 17 7.863 15.430 -2.853 1.00 0.51 C HETATM 1049 C1M CRH B 17 12.151 14.792 -4.868 1.00 0.56 C HETATM 1050 C4M CRH B 17 7.214 14.503 -1.822 1.00 0.52 C HETATM 1051 O1' CRH B 17 11.634 13.664 -4.167 1.00 0.49 O HETATM 1052 O2' CRH B 17 10.863 14.414 -1.483 1.00 0.59 O HETATM 1053 O3' CRH B 17 9.613 16.834 -3.518 1.00 0.62 O HETATM 1054 O4' CRH B 17 6.999 16.563 -2.849 1.00 0.60 O HETATM 0 H4'3 CRH B 17 7.824 13.608 -1.703 1.00 0.52 H new HETATM 0 H4'2 CRH B 17 7.137 15.020 -0.865 1.00 0.52 H new HETATM 0 H4'1 CRH B 17 6.218 14.221 -2.163 1.00 0.52 H new HETATM 0 H153 CRH B 17 3.721 5.513 -0.982 1.00 0.24 H new HETATM 0 H152 CRH B 17 2.749 6.934 -1.430 1.00 0.24 H new HETATM 0 H151 CRH B 17 3.538 5.961 -2.694 1.00 0.24 H new HETATM 0 H1'3 CRH B 17 11.555 14.969 -5.763 1.00 0.56 H new HETATM 0 H1'2 CRH B 17 12.109 15.671 -4.225 1.00 0.56 H new HETATM 0 H1'1 CRH B 17 13.186 14.600 -5.153 1.00 0.56 H new HETATM 0 HO8 CRH B 17 5.571 7.209 -4.672 1.00 0.26 H new HETATM 0 HO4 CRH B 17 6.069 16.265 -2.929 1.00 0.60 H new HETATM 0 HO3 CRH B 17 8.795 17.251 -3.862 1.00 0.62 H new HETATM 0 H5 CRH B 17 6.487 9.309 0.529 1.00 0.25 H new HETATM 0 H42 CRH B 17 10.445 11.155 -2.605 1.00 0.35 H new HETATM 0 H41 CRH B 17 9.420 12.187 -1.627 1.00 0.35 H new HETATM 0 H4' CRH B 17 7.976 14.911 -3.805 1.00 0.51 H new HETATM 0 H3' CRH B 17 9.357 16.366 -1.507 1.00 0.57 H new HETATM 0 H3 CRH B 17 8.360 13.034 -3.557 1.00 0.37 H new HETATM 0 H22 CRH B 17 10.513 11.551 -5.210 1.00 0.33 H new HETATM 0 H10 CRH B 17 8.005 10.674 -0.596 1.00 0.29 H new HETATM 0 H1' CRH B 17 9.835 14.342 -4.601 1.00 0.43 H new HETATM 1076 C1 MDA A 18C 5.920 12.132 -15.641 1.00 0.38 C HETATM 1077 C2 MDA A 18C 4.577 12.848 -15.558 1.00 0.43 C HETATM 1078 C3 MDA A 18C 3.426 11.948 -15.981 1.00 0.50 C HETATM 1079 C4 MDA A 18C 3.755 11.323 -17.330 1.00 0.56 C HETATM 1080 C5 MDA A 18C 5.145 10.662 -17.328 1.00 0.48 C HETATM 1081 C6 MDA A 18C 5.430 10.124 -18.718 1.00 0.61 C HETATM 1082 C3' MDA A 18C 2.155 12.792 -16.116 1.00 0.63 C HETATM 1083 O5 MDA A 18C 6.125 11.637 -16.965 1.00 0.44 O HETATM 1084 O3 MDA A 18C 3.267 10.941 -15.017 1.00 0.49 O HETATM 1085 O4 MDA A 18C 2.743 10.397 -17.704 1.00 0.70 O HETATM 0 H3'3 MDA A 18C 1.924 13.257 -15.158 1.00 0.63 H new HETATM 0 H3'2 MDA A 18C 2.310 13.566 -16.867 1.00 0.63 H new HETATM 0 H3'1 MDA A 18C 1.325 12.154 -16.419 1.00 0.63 H new HETATM 0 HO4 MDA A 18C 2.277 10.080 -16.902 1.00 0.70 H new HETATM 0 HO3 MDA A 18C 2.340 10.937 -14.698 1.00 0.49 H new HETATM 0 H63 MDA A 18C 4.671 9.389 -18.986 1.00 0.61 H new HETATM 0 H62 MDA A 18C 5.411 10.944 -19.436 1.00 0.61 H new HETATM 0 H61 MDA A 18C 6.413 9.652 -18.731 1.00 0.61 H new HETATM 0 H5 MDA A 18C 5.177 9.843 -16.610 1.00 0.48 H new HETATM 0 H4 MDA A 18C 3.784 12.120 -18.073 1.00 0.56 H new HETATM 0 H22 MDA A 18C 4.412 13.192 -14.537 1.00 0.43 H new HETATM 0 H21 MDA A 18C 4.598 13.733 -16.194 1.00 0.43 H new HETATM 1099 C1 CRH B 23 -9.406 -5.845 -0.872 1.00 0.24 C HETATM 1100 C2 CRH B 23 -10.395 -5.510 0.258 1.00 0.29 C HETATM 1101 C3 CRH B 23 -11.796 -5.113 -0.284 1.00 0.32 C HETATM 1102 C4 CRH B 23 -12.236 -6.218 -1.227 1.00 0.26 C HETATM 1103 C5 CRH B 23 -11.372 -7.335 -5.834 1.00 0.20 C HETATM 1104 C6 CRH B 23 -10.585 -7.583 -6.946 1.00 0.23 C HETATM 1105 C7 CRH B 23 -9.208 -7.565 -6.801 1.00 0.23 C HETATM 1106 C8 CRH B 23 -8.653 -7.285 -5.557 1.00 0.20 C HETATM 1107 C9 CRH B 23 -8.968 -6.632 -3.176 1.00 0.18 C HETATM 1108 C10 CRH B 23 -11.696 -6.784 -3.578 1.00 0.20 C HETATM 1109 C11 CRH B 23 -10.832 -7.062 -4.606 1.00 0.18 C HETATM 1110 C12 CRH B 23 -9.454 -7.008 -4.434 1.00 0.17 C HETATM 1111 C13 CRH B 23 -9.842 -6.323 -2.108 1.00 0.21 C HETATM 1112 C14 CRH B 23 -11.218 -6.417 -2.342 1.00 0.23 C HETATM 1113 C15 CRH B 23 -8.338 -8.033 -7.959 1.00 0.30 C HETATM 1114 O1 CRH B 23 -8.199 -5.682 -0.683 1.00 0.26 O HETATM 1115 O8 CRH B 23 -7.282 -7.360 -5.492 1.00 0.23 O HETATM 1116 O9 CRH B 23 -7.598 -6.544 -3.046 1.00 0.22 O HETATM 1117 C1' CRH B 23 -12.906 -4.797 0.767 1.00 0.39 C HETATM 1118 C2' CRH B 23 -13.314 -5.998 1.631 1.00 0.43 C HETATM 1119 C3' CRH B 23 -14.803 -6.313 1.787 1.00 0.52 C HETATM 1120 C4' CRH B 23 -15.274 -6.089 3.234 1.00 0.65 C HETATM 1121 C1M CRH B 23 -11.907 -3.483 2.638 1.00 0.51 C HETATM 1122 C4M CRH B 23 -15.230 -4.635 3.677 1.00 0.74 C HETATM 1123 O1' CRH B 23 -12.826 -3.605 1.555 1.00 0.44 O HETATM 1124 O2' CRH B 23 -12.471 -6.682 2.213 1.00 0.43 O HETATM 1125 O3' CRH B 23 -15.105 -7.685 1.502 1.00 0.54 O HETATM 1126 O4' CRH B 23 -16.662 -6.393 3.230 1.00 0.77 O HETATM 0 H4'3 CRH B 23 -14.207 -4.265 3.610 1.00 0.74 H new HETATM 0 H4'2 CRH B 23 -15.875 -4.038 3.032 1.00 0.74 H new HETATM 0 H4'1 CRH B 23 -15.577 -4.558 4.708 1.00 0.74 H new HETATM 0 H153 CRH B 23 -8.574 -9.071 -8.195 1.00 0.30 H new HETATM 0 H152 CRH B 23 -8.529 -7.410 -8.832 1.00 0.30 H new HETATM 0 H151 CRH B 23 -7.287 -7.955 -7.680 1.00 0.30 H new HETATM 0 H1'3 CRH B 23 -12.114 -4.255 3.380 1.00 0.51 H new HETATM 0 H1'2 CRH B 23 -10.889 -3.601 2.266 1.00 0.51 H new HETATM 0 H1'1 CRH B 23 -12.014 -2.500 3.097 1.00 0.51 H new HETATM 0 HO8 CRH B 23 -6.974 -6.985 -4.641 1.00 0.23 H new HETATM 0 HO4 CRH B 23 -17.026 -6.271 4.132 1.00 0.77 H new HETATM 0 HO3 CRH B 23 -15.889 -7.962 2.020 1.00 0.54 H new HETATM 0 H5 CRH B 23 -12.457 -7.358 -5.940 1.00 0.20 H new HETATM 0 H42 CRH B 23 -12.360 -7.148 -0.672 1.00 0.26 H new HETATM 0 H41 CRH B 23 -13.207 -5.971 -1.656 1.00 0.26 H new HETATM 0 H4' CRH B 23 -14.634 -6.684 3.885 1.00 0.65 H new HETATM 0 H3' CRH B 23 -15.304 -5.648 1.084 1.00 0.52 H new HETATM 0 H3 CRH B 23 -11.673 -4.149 -0.779 1.00 0.32 H new HETATM 0 H22 CRH B 23 -10.494 -6.371 0.919 1.00 0.29 H new HETATM 0 H10 CRH B 23 -12.771 -6.855 -3.742 1.00 0.20 H new HETATM 0 H1' CRH B 23 -13.704 -4.555 0.066 1.00 0.39 H new HETATM 1148 C1 MDA B 30C -1.345 -1.043 3.634 1.00 0.32 C HETATM 1149 C2 MDA B 30C -1.240 0.256 2.840 1.00 0.35 C HETATM 1150 C3 MDA B 30C 0.001 0.199 1.953 1.00 0.36 C HETATM 1151 C4 MDA B 30C 1.194 0.002 2.930 1.00 0.39 C HETATM 1152 C5 MDA B 30C 1.000 -1.286 3.779 1.00 0.34 C HETATM 1153 C6 MDA B 30C 2.088 -1.644 4.782 1.00 0.39 C HETATM 1154 C3' MDA B 30C 0.047 1.450 1.055 1.00 0.44 C HETATM 1155 O5 MDA B 30C -0.234 -1.202 4.498 1.00 0.36 O HETATM 1156 O3 MDA B 30C -0.087 -0.919 1.087 1.00 0.34 O HETATM 1157 O4 MDA B 30C 2.422 -0.063 2.224 1.00 0.40 O HETATM 0 H3'3 MDA B 30C -0.845 1.482 0.430 1.00 0.44 H new HETATM 0 H3'2 MDA B 30C 0.086 2.344 1.678 1.00 0.44 H new HETATM 0 H3'1 MDA B 30C 0.933 1.410 0.421 1.00 0.44 H new HETATM 0 HO4 MDA B 30C 3.167 -0.025 2.859 1.00 0.40 H new HETATM 0 HO3 MDA B 30C -0.842 -0.799 0.473 1.00 0.34 H new HETATM 0 H63 MDA B 30C 3.033 -1.787 4.258 1.00 0.39 H new HETATM 0 H62 MDA B 30C 2.194 -0.837 5.507 1.00 0.39 H new HETATM 0 H61 MDA B 30C 1.817 -2.564 5.300 1.00 0.39 H new HETATM 0 H5 MDA B 30C 1.028 -2.078 3.031 1.00 0.34 H new HETATM 0 H4 MDA B 30C 1.224 0.863 3.598 1.00 0.39 H new HETATM 0 H22 MDA B 30C -2.132 0.397 2.230 1.00 0.35 H new HETATM 0 H21 MDA B 30C -1.179 1.107 3.518 1.00 0.35 H new HETATM 1171 C1 CRH A 27 -6.353 -8.308 0.822 1.00 0.29 C HETATM 1172 C2 CRH A 27 -7.044 -9.482 1.532 1.00 0.32 C HETATM 1173 C3 CRH A 27 -6.119 -10.090 2.601 1.00 0.36 C HETATM 1174 C4 CRH A 27 -5.573 -9.025 3.496 1.00 0.36 C HETATM 1175 C5 CRH A 27 -1.740 -6.092 3.018 1.00 0.26 C HETATM 1176 C6 CRH A 27 -0.974 -5.149 2.356 1.00 0.23 C HETATM 1177 C7 CRH A 27 -1.418 -4.660 1.132 1.00 0.21 C HETATM 1178 C8 CRH A 27 -2.616 -5.104 0.597 1.00 0.22 C HETATM 1179 C9 CRH A 27 -4.562 -6.618 0.722 1.00 0.24 C HETATM 1180 C10 CRH A 27 -3.614 -7.536 3.152 1.00 0.28 C HETATM 1181 C11 CRH A 27 -2.926 -6.550 2.483 1.00 0.25 C HETATM 1182 C12 CRH A 27 -3.392 -6.069 1.257 1.00 0.23 C HETATM 1183 C13 CRH A 27 -5.266 -7.638 1.391 1.00 0.27 C HETATM 1184 C14 CRH A 27 -4.768 -8.071 2.625 1.00 0.29 C HETATM 1185 C15 CRH A 27 -0.508 -3.834 0.234 1.00 0.22 C HETATM 1186 O1 CRH A 27 -6.744 -7.984 -0.298 1.00 0.30 O HETATM 1187 O8 CRH A 27 -3.008 -4.486 -0.579 1.00 0.24 O HETATM 1188 O9 CRH A 27 -4.991 -6.112 -0.488 1.00 0.27 O HETATM 1189 C1' CRH A 27 -6.845 -11.266 3.243 1.00 0.46 C HETATM 1190 C2' CRH A 27 -6.007 -12.010 4.293 1.00 0.52 C HETATM 1191 C3' CRH A 27 -5.220 -13.243 3.855 1.00 0.56 C HETATM 1192 C4' CRH A 27 -4.313 -12.853 2.682 1.00 0.52 C HETATM 1193 C1M CRH A 27 -8.980 -12.278 3.553 1.00 0.55 C HETATM 1194 C4M CRH A 27 -3.210 -11.850 3.031 1.00 0.51 C HETATM 1195 O1' CRH A 27 -8.184 -11.105 3.698 1.00 0.50 O HETATM 1196 O2' CRH A 27 -5.948 -11.616 5.459 1.00 0.57 O HETATM 1197 O3' CRH A 27 -6.070 -14.260 3.324 1.00 0.64 O HETATM 1198 O4' CRH A 27 -3.580 -14.005 2.282 1.00 0.60 O HETATM 0 H4'3 CRH A 27 -3.660 -10.928 3.401 1.00 0.51 H new HETATM 0 H4'2 CRH A 27 -2.564 -12.273 3.801 1.00 0.51 H new HETATM 0 H4'1 CRH A 27 -2.620 -11.634 2.141 1.00 0.51 H new HETATM 0 H153 CRH A 27 -0.193 -2.935 0.763 1.00 0.22 H new HETATM 0 H152 CRH A 27 0.369 -4.422 -0.035 1.00 0.22 H new HETATM 0 H151 CRH A 27 -1.047 -3.553 -0.670 1.00 0.22 H new HETATM 0 H1'3 CRH A 27 -9.025 -12.559 2.501 1.00 0.55 H new HETATM 0 H1'2 CRH A 27 -8.537 -13.092 4.127 1.00 0.55 H new HETATM 0 H1'1 CRH A 27 -9.987 -12.082 3.920 1.00 0.55 H new HETATM 0 HO8 CRH A 27 -3.842 -4.890 -0.899 1.00 0.24 H new HETATM 0 HO4 CRH A 27 -2.889 -13.745 1.637 1.00 0.60 H new HETATM 0 HO3 CRH A 27 -5.571 -14.796 2.672 1.00 0.64 H new HETATM 0 H5 CRH A 27 -1.401 -6.480 3.979 1.00 0.26 H new HETATM 0 H42 CRH A 27 -6.381 -8.496 4.001 1.00 0.36 H new HETATM 0 H41 CRH A 27 -4.944 -9.461 4.272 1.00 0.36 H new HETATM 0 H4' CRH A 27 -4.986 -12.426 1.938 1.00 0.52 H new HETATM 0 H3' CRH A 27 -4.684 -13.604 4.733 1.00 0.56 H new HETATM 0 H3 CRH A 27 -5.208 -10.520 2.185 1.00 0.36 H new HETATM 0 H22 CRH A 27 -7.969 -9.140 1.996 1.00 0.32 H new HETATM 0 H10 CRH A 27 -3.241 -7.898 4.110 1.00 0.28 H new HETATM 0 H1' CRH A 27 -6.970 -11.880 2.351 1.00 0.46 H new HETATM 1220 C1 MDA B 28C -10.443 -10.870 -9.010 1.00 0.40 C HETATM 1221 C2 MDA B 28C -9.291 -11.616 -9.671 1.00 0.48 C HETATM 1222 C3 MDA B 28C -8.645 -10.798 -10.780 1.00 0.52 C HETATM 1223 C4 MDA B 28C -9.729 -10.295 -11.722 1.00 0.57 C HETATM 1224 C5 MDA B 28C -10.868 -9.594 -10.959 1.00 0.52 C HETATM 1225 C6 MDA B 28C -11.940 -9.184 -11.954 1.00 0.62 C HETATM 1226 C3' MDA B 28C -7.675 -11.689 -11.560 1.00 0.65 C HETATM 1227 O5 MDA B 28C -11.410 -10.499 -9.994 1.00 0.47 O HETATM 1228 O3 MDA B 28C -7.978 -9.708 -10.199 1.00 0.49 O HETATM 1229 O4 MDA B 28C -9.167 -9.443 -12.711 1.00 0.67 O HETATM 0 H3'3 MDA B 28C -6.905 -12.066 -10.887 1.00 0.65 H new HETATM 0 H3'2 MDA B 28C -8.220 -12.528 -11.993 1.00 0.65 H new HETATM 0 H3'1 MDA B 28C -7.209 -11.109 -12.356 1.00 0.65 H new HETATM 0 HO4 MDA B 28C -8.379 -8.991 -12.344 1.00 0.67 H new HETATM 0 HO3 MDA B 28C -7.057 -9.673 -10.532 1.00 0.49 H new HETATM 0 H63 MDA B 28C -11.512 -8.502 -12.689 1.00 0.62 H new HETATM 0 H62 MDA B 28C -12.324 -10.069 -12.461 1.00 0.62 H new HETATM 0 H61 MDA B 28C -12.754 -8.686 -11.427 1.00 0.62 H new HETATM 0 H5 MDA B 28C -10.495 -8.709 -10.444 1.00 0.52 H new HETATM 0 H4 MDA B 28C -10.168 -11.159 -12.221 1.00 0.57 H new HETATM 0 H22 MDA B 28C -8.541 -11.865 -8.920 1.00 0.48 H new HETATM 0 H21 MDA B 28C -9.656 -12.558 -10.081 1.00 0.48 H new