USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 643 hydrogens (11 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 23 HIS HE2 : A 23 HIS NE2 : A 128 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 149 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.039 (180deg=-0.525) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0665 X(o=-0.067,f=-0.11) USER MOD Single : A 9 GLN : amide:sc= -4.73! C(o=-4.7!,f=-7.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.777! (180deg=-3.47!) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.85! C(o=-6!,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -5.28! C(o=-5.3!,f=-10!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -58:sc= 1.09 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc=-0.000439 X(o=-0.00044,f=0.22) USER MOD Single : B 201 CG1 O2' : rot -2:sc= -3.48! USER MOD Single : B 202 G O2' : rot -28:sc= 0.144 USER MOD Single : B 203 C O2' : rot 12:sc= -0.963 USER MOD Single : B 204 G O2' : rot -161:sc= -0.926 USER MOD Single : B 205 A O2' : rot 22:sc= -0.914 USER MOD Single : B 206 C O2' : rot -112:sc= 1.1 USER MOD Single : B 207 U O2' : rot -10:sc= -0.776 USER MOD Single : B 208 G O2' : rot -10:sc= 0.714 USER MOD Single : B 209 G O2' : rot 67:sc= 0.349! USER MOD Single : B 210 U O2' : rot 144:sc= 0.0922 USER MOD Single : B 211 G O2' : rot 82:sc= -1.24! USER MOD Single : B 212 A O2' : rot -154:sc= -2.56! USER MOD Single : B 213 G O2' : rot -83:sc= 1.81 USER MOD Single : B 214 U O2' : rot 19:sc= 1.43 USER MOD Single : B 215 A O2' : rot -25:sc= 0.556 USER MOD Single : B 216 C O2' : rot 32:sc= -0.996 USER MOD Single : B 217 G O2' : rot -3:sc= -0.226 USER MOD Single : B 218 C O2' : rot -2:sc= 0.406 USER MOD Single : B 219 C O2' : rot -29:sc= 0.481 USER MOD Single : B 219 C O3' : rot 180:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.352 8.379 4.947 1.00 0.00 N ATOM 2 CA MET A 1 -28.875 8.756 6.248 1.00 0.00 C ATOM 3 C MET A 1 -30.122 9.632 6.106 1.00 0.00 C ATOM 4 O MET A 1 -30.033 10.858 6.157 1.00 0.00 O ATOM 5 CB MET A 1 -27.802 9.520 7.029 1.00 0.00 C ATOM 6 CG MET A 1 -26.647 8.595 7.418 1.00 0.00 C ATOM 7 SD MET A 1 -25.269 9.560 8.017 1.00 0.00 S ATOM 8 CE MET A 1 -24.039 8.276 8.179 1.00 0.00 C ATOM 0 H1 MET A 1 -27.813 7.494 5.033 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.140 8.241 4.283 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.728 9.131 4.592 1.00 0.00 H new ATOM 0 HA MET A 1 -29.150 7.848 6.784 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.425 10.345 6.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.241 9.957 7.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.974 7.895 8.187 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.339 8.001 6.557 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.108 8.708 8.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.391 7.522 8.883 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.866 7.813 7.207 1.00 0.00 H new ATOM 18 N GLN A 2 -31.255 8.968 5.928 1.00 0.00 N ATOM 19 CA GLN A 2 -32.518 9.670 5.778 1.00 0.00 C ATOM 20 C GLN A 2 -33.658 8.672 5.566 1.00 0.00 C ATOM 21 O GLN A 2 -34.607 8.634 6.349 1.00 0.00 O ATOM 22 CB GLN A 2 -32.451 10.678 4.628 1.00 0.00 C ATOM 23 CG GLN A 2 -33.147 11.987 5.006 1.00 0.00 C ATOM 24 CD GLN A 2 -32.792 13.101 4.018 1.00 0.00 C ATOM 25 OE1 GLN A 2 -32.993 12.991 2.820 1.00 0.00 O ATOM 26 NE2 GLN A 2 -32.255 14.176 4.587 1.00 0.00 N ATOM 0 H GLN A 2 -31.324 7.951 5.884 1.00 0.00 H new ATOM 0 HA GLN A 2 -32.714 10.226 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.410 10.876 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -32.922 10.255 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -34.227 11.838 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -32.853 12.282 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -32.114 14.202 5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -31.984 14.975 4.014 1.00 0.00 H new ATOM 35 N LYS A 3 -33.528 7.889 4.505 1.00 0.00 N ATOM 36 CA LYS A 3 -34.536 6.894 4.181 1.00 0.00 C ATOM 37 C LYS A 3 -34.665 5.909 5.345 1.00 0.00 C ATOM 38 O LYS A 3 -35.774 5.541 5.732 1.00 0.00 O ATOM 39 CB LYS A 3 -34.218 6.226 2.842 1.00 0.00 C ATOM 40 CG LYS A 3 -32.895 5.463 2.911 1.00 0.00 C ATOM 41 CD LYS A 3 -32.653 4.667 1.626 1.00 0.00 C ATOM 42 CE LYS A 3 -33.011 3.192 1.821 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.924 2.483 2.531 1.00 0.00 N ATOM 0 H LYS A 3 -32.740 7.924 3.859 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.510 7.365 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -35.023 5.542 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.166 6.981 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -32.075 6.163 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.905 4.786 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.250 5.086 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.608 4.756 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.938 3.109 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.187 2.723 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.184 1.484 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.047 2.546 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.775 2.920 3.463 1.00 0.00 H new ATOM 57 N GLY A 4 -33.517 5.509 5.870 1.00 0.00 N ATOM 58 CA GLY A 4 -33.487 4.573 6.981 1.00 0.00 C ATOM 59 C GLY A 4 -34.256 5.126 8.183 1.00 0.00 C ATOM 60 O GLY A 4 -34.660 4.370 9.066 1.00 0.00 O ATOM 0 H GLY A 4 -32.600 5.816 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.922 3.622 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.454 4.374 7.266 1.00 0.00 H new ATOM 64 N ASN A 5 -34.435 6.438 8.179 1.00 0.00 N ATOM 65 CA ASN A 5 -35.147 7.101 9.258 1.00 0.00 C ATOM 66 C ASN A 5 -36.591 6.595 9.296 1.00 0.00 C ATOM 67 O ASN A 5 -37.163 6.421 10.370 1.00 0.00 O ATOM 68 CB ASN A 5 -35.183 8.616 9.046 1.00 0.00 C ATOM 69 CG ASN A 5 -35.263 9.354 10.383 1.00 0.00 C ATOM 70 OD1 ASN A 5 -36.324 9.740 10.846 1.00 0.00 O ATOM 71 ND2 ASN A 5 -34.085 9.529 10.977 1.00 0.00 N ATOM 0 H ASN A 5 -34.099 7.061 7.445 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.628 6.880 10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.291 8.932 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -36.042 8.880 8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -34.033 10.011 11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.234 9.181 10.535 1.00 0.00 H new ATOM 78 N PHE A 6 -37.138 6.373 8.110 1.00 0.00 N ATOM 79 CA PHE A 6 -38.504 5.890 7.994 1.00 0.00 C ATOM 80 C PHE A 6 -38.667 4.536 8.686 1.00 0.00 C ATOM 81 O PHE A 6 -39.787 4.087 8.924 1.00 0.00 O ATOM 82 CB PHE A 6 -38.795 5.727 6.501 1.00 0.00 C ATOM 83 CG PHE A 6 -40.227 5.285 6.191 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.232 5.582 7.058 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.494 4.597 5.049 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.561 5.173 6.771 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.824 4.188 4.762 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.829 4.485 5.629 1.00 0.00 C ATOM 0 H PHE A 6 -36.660 6.519 7.221 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.189 6.593 8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.601 6.674 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.102 4.997 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -41.019 6.129 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.696 4.362 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.359 5.408 7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.037 3.641 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.840 4.174 5.410 1.00 0.00 H new ATOM 98 N ARG A 7 -37.532 3.921 8.988 1.00 0.00 N ATOM 99 CA ARG A 7 -37.535 2.626 9.647 1.00 0.00 C ATOM 100 C ARG A 7 -38.257 2.717 10.993 1.00 0.00 C ATOM 101 O ARG A 7 -38.617 1.696 11.579 1.00 0.00 O ATOM 102 CB ARG A 7 -36.109 2.120 9.874 1.00 0.00 C ATOM 103 CG ARG A 7 -35.404 1.854 8.542 1.00 0.00 C ATOM 104 CD ARG A 7 -35.959 0.598 7.868 1.00 0.00 C ATOM 105 NE ARG A 7 -36.100 0.824 6.412 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.092 0.726 5.536 1.00 0.00 C ATOM 107 NH1 ARG A 7 -33.863 0.405 5.961 1.00 0.00 N ATOM 108 NH2 ARG A 7 -35.313 0.950 4.233 1.00 0.00 N ATOM 0 H ARG A 7 -36.605 4.296 8.788 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.058 1.925 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.545 2.856 10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.134 1.205 10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.532 2.712 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -34.333 1.738 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.294 -0.246 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.926 0.341 8.300 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.023 1.070 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.694 0.235 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.096 0.331 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -36.249 1.195 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.545 0.875 3.565 1.00 0.00 H new ATOM 122 N ASN A 8 -38.448 3.948 11.443 1.00 0.00 N ATOM 123 CA ASN A 8 -39.120 4.185 12.710 1.00 0.00 C ATOM 124 C ASN A 8 -40.528 3.592 12.654 1.00 0.00 C ATOM 125 O ASN A 8 -41.169 3.406 13.687 1.00 0.00 O ATOM 126 CB ASN A 8 -39.250 5.684 12.992 1.00 0.00 C ATOM 127 CG ASN A 8 -39.413 5.947 14.490 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.469 6.261 15.197 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.658 5.803 14.932 1.00 0.00 N ATOM 0 H ASN A 8 -38.150 4.792 10.954 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.528 3.719 13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.367 6.205 12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -40.108 6.086 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -40.870 5.957 15.918 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.401 5.538 14.286 1.00 0.00 H new ATOM 136 N GLN A 9 -40.969 3.309 11.436 1.00 0.00 N ATOM 137 CA GLN A 9 -42.290 2.740 11.232 1.00 0.00 C ATOM 138 C GLN A 9 -42.437 1.439 12.025 1.00 0.00 C ATOM 139 O GLN A 9 -43.537 1.084 12.444 1.00 0.00 O ATOM 140 CB GLN A 9 -42.564 2.508 9.744 1.00 0.00 C ATOM 141 CG GLN A 9 -44.012 2.073 9.515 1.00 0.00 C ATOM 142 CD GLN A 9 -44.656 2.882 8.387 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.127 2.999 7.293 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.822 3.431 8.712 1.00 0.00 N ATOM 0 H GLN A 9 -40.434 3.463 10.581 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.030 3.452 11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.363 3.423 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.886 1.745 9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.042 1.012 9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.584 2.204 10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.208 3.293 9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.331 3.990 8.027 1.00 0.00 H new ATOM 153 N ARG A 10 -41.310 0.766 12.208 1.00 0.00 N ATOM 154 CA ARG A 10 -41.299 -0.487 12.944 1.00 0.00 C ATOM 155 C ARG A 10 -41.888 -0.287 14.343 1.00 0.00 C ATOM 156 O ARG A 10 -42.393 -1.231 14.947 1.00 0.00 O ATOM 157 CB ARG A 10 -39.877 -1.038 13.071 1.00 0.00 C ATOM 158 CG ARG A 10 -39.891 -2.477 13.592 1.00 0.00 C ATOM 159 CD ARG A 10 -39.151 -2.583 14.927 1.00 0.00 C ATOM 160 NE ARG A 10 -39.956 -3.365 15.892 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.934 -4.703 15.979 1.00 0.00 C ATOM 162 NH1 ARG A 10 -39.148 -5.415 15.160 1.00 0.00 N ATOM 163 NH2 ARG A 10 -40.699 -5.328 16.884 1.00 0.00 N ATOM 0 H ARG A 10 -40.399 1.065 11.860 1.00 0.00 H new ATOM 0 HA ARG A 10 -41.906 -1.203 12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.382 -1.004 12.101 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -39.298 -0.408 13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.921 -2.813 13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.425 -3.137 12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.182 -3.060 14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.958 -1.587 15.325 1.00 0.00 H new ATOM 0 HE ARG A 10 -40.566 -2.854 16.531 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -38.566 -4.939 14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -39.131 -6.433 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -41.298 -4.786 17.507 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.682 -6.346 16.950 1.00 0.00 H new ATOM 177 N LYS A 11 -41.803 0.948 14.815 1.00 0.00 N ATOM 178 CA LYS A 11 -42.321 1.283 16.129 1.00 0.00 C ATOM 179 C LYS A 11 -43.254 2.491 16.012 1.00 0.00 C ATOM 180 O LYS A 11 -43.242 3.374 16.869 1.00 0.00 O ATOM 181 CB LYS A 11 -41.174 1.487 17.122 1.00 0.00 C ATOM 182 CG LYS A 11 -41.705 1.651 18.547 1.00 0.00 C ATOM 183 CD LYS A 11 -41.638 0.328 19.313 1.00 0.00 C ATOM 184 CE LYS A 11 -42.989 -0.008 19.948 1.00 0.00 C ATOM 185 NZ LYS A 11 -42.818 -0.363 21.374 1.00 0.00 N ATOM 0 H LYS A 11 -41.383 1.728 14.310 1.00 0.00 H new ATOM 0 HA LYS A 11 -42.913 0.458 16.526 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.495 0.635 17.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -40.598 2.369 16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.122 2.409 19.071 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.735 2.006 18.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.341 -0.473 18.636 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.874 0.391 20.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -43.662 0.845 19.858 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -43.452 -0.838 19.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -43.745 -0.588 21.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -42.193 -1.190 21.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -42.396 0.440 21.883 1.00 0.00 H new ATOM 199 N THR A 12 -44.041 2.490 14.946 1.00 0.00 N ATOM 200 CA THR A 12 -44.978 3.574 14.706 1.00 0.00 C ATOM 201 C THR A 12 -44.247 4.797 14.151 1.00 0.00 C ATOM 202 O THR A 12 -43.317 5.306 14.775 1.00 0.00 O ATOM 203 CB THR A 12 -45.723 3.852 16.013 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.000 2.557 16.537 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.106 4.464 15.779 1.00 0.00 C ATOM 0 H THR A 12 -44.049 1.755 14.239 1.00 0.00 H new ATOM 0 HA THR A 12 -45.712 3.302 13.948 1.00 0.00 H new ATOM 0 HB THR A 12 -45.129 4.523 16.634 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.481 2.644 17.387 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.592 4.642 16.738 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.000 5.409 15.245 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.712 3.778 15.187 1.00 0.00 H new ATOM 213 N VAL A 13 -44.695 5.235 12.983 1.00 0.00 N ATOM 214 CA VAL A 13 -44.094 6.390 12.336 1.00 0.00 C ATOM 215 C VAL A 13 -44.876 7.647 12.721 1.00 0.00 C ATOM 216 O VAL A 13 -45.794 7.586 13.538 1.00 0.00 O ATOM 217 CB VAL A 13 -44.027 6.166 10.824 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.312 6.642 10.142 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.801 6.854 10.222 1.00 0.00 C ATOM 0 H VAL A 13 -45.467 4.811 12.468 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.068 6.529 12.676 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.931 5.095 10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.238 6.472 9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.162 6.088 10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.452 7.706 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.777 6.679 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.854 7.926 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.897 6.448 10.676 1.00 0.00 H new ATOM 229 N LYS A 14 -44.483 8.758 12.115 1.00 0.00 N ATOM 230 CA LYS A 14 -45.136 10.028 12.383 1.00 0.00 C ATOM 231 C LYS A 14 -45.356 10.773 11.065 1.00 0.00 C ATOM 232 O LYS A 14 -44.401 11.072 10.349 1.00 0.00 O ATOM 233 CB LYS A 14 -44.343 10.829 13.417 1.00 0.00 C ATOM 234 CG LYS A 14 -45.031 12.161 13.723 1.00 0.00 C ATOM 235 CD LYS A 14 -45.260 12.327 15.227 1.00 0.00 C ATOM 236 CE LYS A 14 -44.023 12.918 15.908 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.300 11.873 16.667 1.00 0.00 N ATOM 0 H LYS A 14 -43.720 8.805 11.439 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.119 9.865 12.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.243 10.248 14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.335 11.013 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.420 12.984 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.985 12.210 13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -46.119 12.976 15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -45.497 11.360 15.671 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.362 13.355 15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.320 13.723 16.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -42.464 12.291 17.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -43.928 11.475 17.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.000 11.118 16.018 1.00 0.00 H new ATOM 251 N CYS A 15 -46.621 11.051 10.782 1.00 0.00 N ATOM 252 CA CYS A 15 -46.978 11.754 9.563 1.00 0.00 C ATOM 253 C CYS A 15 -46.686 13.242 9.763 1.00 0.00 C ATOM 254 O CYS A 15 -47.353 13.909 10.554 1.00 0.00 O ATOM 255 CB CYS A 15 -48.437 11.506 9.174 1.00 0.00 C ATOM 256 SG CYS A 15 -48.754 12.152 7.491 1.00 0.00 S ATOM 0 H CYS A 15 -47.411 10.801 11.377 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.380 11.376 8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.655 10.439 9.210 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.100 11.991 9.890 1.00 0.00 H new ATOM 261 N PHE A 16 -45.689 13.721 9.033 1.00 0.00 N ATOM 262 CA PHE A 16 -45.301 15.118 9.122 1.00 0.00 C ATOM 263 C PHE A 16 -46.183 15.990 8.226 1.00 0.00 C ATOM 264 O PHE A 16 -45.915 17.178 8.051 1.00 0.00 O ATOM 265 CB PHE A 16 -43.852 15.212 8.636 1.00 0.00 C ATOM 266 CG PHE A 16 -43.715 15.547 7.150 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.575 15.004 6.248 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.730 16.387 6.732 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.447 15.316 4.869 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.602 16.698 5.351 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.464 16.156 4.450 1.00 0.00 C ATOM 0 H PHE A 16 -45.139 13.166 8.378 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.410 15.470 10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.333 15.973 9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.352 14.264 8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -45.355 14.335 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.046 16.817 7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -45.131 14.886 4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -41.820 17.365 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.368 16.393 3.401 1.00 0.00 H new ATOM 281 N ASN A 17 -47.218 15.367 7.682 1.00 0.00 N ATOM 282 CA ASN A 17 -48.142 16.070 6.809 1.00 0.00 C ATOM 283 C ASN A 17 -49.424 16.390 7.581 1.00 0.00 C ATOM 284 O ASN A 17 -49.824 17.549 7.673 1.00 0.00 O ATOM 285 CB ASN A 17 -48.519 15.213 5.600 1.00 0.00 C ATOM 286 CG ASN A 17 -49.768 15.762 4.906 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.893 16.946 4.643 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.682 14.836 4.626 1.00 0.00 N ATOM 0 H ASN A 17 -47.437 14.382 7.829 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.653 16.982 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.688 15.188 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.698 14.186 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.551 15.101 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.513 13.861 4.874 1.00 0.00 H new ATOM 295 N CYS A 18 -50.032 15.341 8.114 1.00 0.00 N ATOM 296 CA CYS A 18 -51.260 15.496 8.874 1.00 0.00 C ATOM 297 C CYS A 18 -50.895 15.659 10.350 1.00 0.00 C ATOM 298 O CYS A 18 -51.583 16.360 11.091 1.00 0.00 O ATOM 299 CB CYS A 18 -52.216 14.321 8.650 1.00 0.00 C ATOM 300 SG CYS A 18 -51.520 12.799 9.388 1.00 0.00 S ATOM 0 H CYS A 18 -49.697 14.381 8.035 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.792 16.384 8.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.186 14.541 9.096 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.382 14.175 7.583 1.00 0.00 H new ATOM 305 N GLY A 19 -49.810 15.001 10.735 1.00 0.00 N ATOM 306 CA GLY A 19 -49.345 15.065 12.110 1.00 0.00 C ATOM 307 C GLY A 19 -49.558 13.728 12.824 1.00 0.00 C ATOM 308 O GLY A 19 -48.729 13.313 13.632 1.00 0.00 O ATOM 0 H GLY A 19 -49.240 14.421 10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.287 15.326 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.877 15.854 12.641 1.00 0.00 H new ATOM 312 N LYS A 20 -50.674 13.092 12.499 1.00 0.00 N ATOM 313 CA LYS A 20 -51.007 11.811 13.099 1.00 0.00 C ATOM 314 C LYS A 20 -49.777 10.901 13.064 1.00 0.00 C ATOM 315 O LYS A 20 -48.772 11.236 12.441 1.00 0.00 O ATOM 316 CB LYS A 20 -52.239 11.206 12.423 1.00 0.00 C ATOM 317 CG LYS A 20 -53.345 10.933 13.443 1.00 0.00 C ATOM 318 CD LYS A 20 -54.141 12.204 13.744 1.00 0.00 C ATOM 319 CE LYS A 20 -54.077 12.551 15.233 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.264 12.020 15.941 1.00 0.00 N ATOM 0 H LYS A 20 -51.359 13.440 11.828 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.279 11.941 14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.607 11.886 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.964 10.278 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -54.015 10.163 13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.908 10.547 14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.746 13.033 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -55.180 12.067 13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -53.169 12.135 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.025 13.633 15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.204 12.264 16.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.126 12.436 15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -55.297 10.986 15.837 1.00 0.00 H new ATOM 334 N GLU A 21 -49.899 9.769 13.742 1.00 0.00 N ATOM 335 CA GLU A 21 -48.809 8.809 13.796 1.00 0.00 C ATOM 336 C GLU A 21 -49.274 7.449 13.271 1.00 0.00 C ATOM 337 O GLU A 21 -50.473 7.178 13.215 1.00 0.00 O ATOM 338 CB GLU A 21 -48.255 8.688 15.217 1.00 0.00 C ATOM 339 CG GLU A 21 -49.304 8.107 16.167 1.00 0.00 C ATOM 340 CD GLU A 21 -49.839 9.180 17.116 1.00 0.00 C ATOM 341 OE1 GLU A 21 -50.046 10.314 16.631 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.030 8.843 18.304 1.00 0.00 O ATOM 0 H GLU A 21 -50.735 9.495 14.258 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.002 9.167 13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.370 8.051 15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.940 9.669 15.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.127 7.683 15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.866 7.292 16.744 1.00 0.00 H new ATOM 349 N GLY A 22 -48.302 6.630 12.899 1.00 0.00 N ATOM 350 CA GLY A 22 -48.596 5.305 12.382 1.00 0.00 C ATOM 351 C GLY A 22 -48.222 5.199 10.902 1.00 0.00 C ATOM 352 O GLY A 22 -47.844 4.128 10.429 1.00 0.00 O ATOM 0 H GLY A 22 -47.309 6.859 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.047 4.557 12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.657 5.088 12.509 1.00 0.00 H new ATOM 356 N HIS A 23 -48.338 6.324 10.213 1.00 0.00 N ATOM 357 CA HIS A 23 -48.016 6.372 8.797 1.00 0.00 C ATOM 358 C HIS A 23 -47.302 7.686 8.477 1.00 0.00 C ATOM 359 O HIS A 23 -47.176 8.554 9.339 1.00 0.00 O ATOM 360 CB HIS A 23 -49.271 6.156 7.947 1.00 0.00 C ATOM 361 CG HIS A 23 -50.220 7.330 7.943 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.382 7.357 8.694 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.166 8.517 7.273 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.993 8.513 8.479 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.238 9.229 7.596 1.00 0.00 N ATOM 0 H HIS A 23 -48.651 7.210 10.609 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.334 5.559 8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.970 5.942 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.799 5.276 8.315 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.712 6.613 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.384 8.825 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.924 8.832 8.924 1.00 0.00 H new ATOM 373 N ILE A 24 -46.854 7.791 7.234 1.00 0.00 N ATOM 374 CA ILE A 24 -46.157 8.986 6.789 1.00 0.00 C ATOM 375 C ILE A 24 -46.957 9.651 5.668 1.00 0.00 C ATOM 376 O ILE A 24 -47.826 9.024 5.064 1.00 0.00 O ATOM 377 CB ILE A 24 -44.715 8.650 6.400 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.676 7.552 5.335 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.886 8.283 7.632 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.247 7.314 4.844 1.00 0.00 C ATOM 0 H ILE A 24 -46.960 7.069 6.522 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.085 9.710 7.601 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.263 9.540 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.082 6.628 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.311 7.833 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.866 8.049 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.874 9.124 8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.327 7.415 8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.248 6.529 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.853 8.234 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.620 7.010 5.682 1.00 0.00 H new ATOM 392 N ALA A 25 -46.636 10.913 5.423 1.00 0.00 N ATOM 393 CA ALA A 25 -47.314 11.671 4.385 1.00 0.00 C ATOM 394 C ALA A 25 -47.231 10.903 3.064 1.00 0.00 C ATOM 395 O ALA A 25 -48.185 10.896 2.286 1.00 0.00 O ATOM 396 CB ALA A 25 -46.698 13.067 4.287 1.00 0.00 C ATOM 0 H ALA A 25 -45.915 11.430 5.926 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.369 11.797 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.207 13.635 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.808 13.581 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.640 12.981 4.041 1.00 0.00 H new ATOM 402 N LYS A 26 -46.084 10.275 2.851 1.00 0.00 N ATOM 403 CA LYS A 26 -45.866 9.507 1.637 1.00 0.00 C ATOM 404 C LYS A 26 -47.139 8.731 1.293 1.00 0.00 C ATOM 405 O LYS A 26 -47.404 8.454 0.125 1.00 0.00 O ATOM 406 CB LYS A 26 -44.626 8.622 1.779 1.00 0.00 C ATOM 407 CG LYS A 26 -44.981 7.146 1.589 1.00 0.00 C ATOM 408 CD LYS A 26 -43.722 6.299 1.400 1.00 0.00 C ATOM 409 CE LYS A 26 -42.917 6.776 0.188 1.00 0.00 C ATOM 410 NZ LYS A 26 -43.805 6.963 -0.981 1.00 0.00 N ATOM 0 H LYS A 26 -45.296 10.282 3.499 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.661 10.172 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.878 8.917 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.181 8.769 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.538 6.788 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.633 7.034 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.104 6.354 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.999 5.253 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.414 7.714 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.141 6.049 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -43.248 6.884 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.546 6.233 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -44.246 7.904 -0.935 1.00 0.00 H new ATOM 424 N ASN A 27 -47.892 8.403 2.333 1.00 0.00 N ATOM 425 CA ASN A 27 -49.132 7.665 2.156 1.00 0.00 C ATOM 426 C ASN A 27 -50.105 8.036 3.276 1.00 0.00 C ATOM 427 O ASN A 27 -50.566 7.167 4.016 1.00 0.00 O ATOM 428 CB ASN A 27 -48.887 6.156 2.221 1.00 0.00 C ATOM 429 CG ASN A 27 -47.630 5.838 3.033 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.532 6.524 4.168 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.804 5.025 2.653 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.668 8.634 3.301 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.542 7.922 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.749 5.663 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.783 5.757 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.941 4.533 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.976 4.837 3.218 1.00 0.00 H new ATOM 438 N CYS A 28 -50.390 9.327 3.367 1.00 0.00 N ATOM 439 CA CYS A 28 -51.301 9.822 4.384 1.00 0.00 C ATOM 440 C CYS A 28 -52.723 9.406 4.000 1.00 0.00 C ATOM 441 O CYS A 28 -53.140 9.592 2.859 1.00 0.00 O ATOM 442 CB CYS A 28 -51.178 11.337 4.564 1.00 0.00 C ATOM 443 SG CYS A 28 -52.334 11.909 5.862 1.00 0.00 S ATOM 0 H CYS A 28 -50.006 10.045 2.753 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.045 9.385 5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.155 11.597 4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.396 11.842 3.623 1.00 0.00 H new ATOM 448 N ARG A 29 -53.426 8.852 4.976 1.00 0.00 N ATOM 449 CA ARG A 29 -54.793 8.408 4.754 1.00 0.00 C ATOM 450 C ARG A 29 -55.699 9.606 4.463 1.00 0.00 C ATOM 451 O ARG A 29 -56.641 9.499 3.678 1.00 0.00 O ATOM 452 CB ARG A 29 -55.331 7.655 5.972 1.00 0.00 C ATOM 453 CG ARG A 29 -56.233 6.495 5.545 1.00 0.00 C ATOM 454 CD ARG A 29 -56.634 5.639 6.748 1.00 0.00 C ATOM 455 NE ARG A 29 -58.057 5.247 6.639 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.680 4.433 7.503 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.010 3.922 8.544 1.00 0.00 N ATOM 458 NH2 ARG A 29 -59.973 4.132 7.325 1.00 0.00 N ATOM 0 H ARG A 29 -53.076 8.700 5.922 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.789 7.735 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.500 7.274 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.890 8.340 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -57.127 6.885 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.714 5.877 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.006 4.749 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.471 6.195 7.671 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.597 5.619 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.026 4.152 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -58.484 3.303 9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.483 4.522 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.448 3.513 7.982 1.00 0.00 H new ATOM 472 N ALA A 30 -55.382 10.718 5.109 1.00 0.00 N ATOM 473 CA ALA A 30 -56.156 11.935 4.928 1.00 0.00 C ATOM 474 C ALA A 30 -56.552 12.068 3.456 1.00 0.00 C ATOM 475 O ALA A 30 -55.750 12.500 2.631 1.00 0.00 O ATOM 476 CB ALA A 30 -55.346 13.134 5.425 1.00 0.00 C ATOM 0 H ALA A 30 -54.600 10.802 5.758 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.074 11.897 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.926 14.047 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.116 13.004 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.418 13.206 4.858 1.00 0.00 H new ATOM 482 N PRO A 31 -57.822 11.678 3.165 1.00 0.00 N ATOM 483 CA PRO A 31 -58.335 11.750 1.808 1.00 0.00 C ATOM 484 C PRO A 31 -58.651 13.195 1.416 1.00 0.00 C ATOM 485 O PRO A 31 -59.735 13.482 0.908 1.00 0.00 O ATOM 486 CB PRO A 31 -59.560 10.851 1.801 1.00 0.00 C ATOM 487 CG PRO A 31 -59.958 10.679 3.258 1.00 0.00 C ATOM 488 CD PRO A 31 -58.801 11.161 4.117 1.00 0.00 C ATOM 0 HA PRO A 31 -57.609 11.416 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -60.370 11.299 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -59.336 9.889 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.860 11.250 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.183 9.634 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.121 11.935 4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.384 10.348 4.712 1.00 0.00 H new ATOM 496 N ARG A 32 -57.687 14.068 1.669 1.00 0.00 N ATOM 497 CA ARG A 32 -57.849 15.477 1.350 1.00 0.00 C ATOM 498 C ARG A 32 -57.714 15.698 -0.158 1.00 0.00 C ATOM 499 O ARG A 32 -56.662 15.431 -0.737 1.00 0.00 O ATOM 500 CB ARG A 32 -56.809 16.330 2.079 1.00 0.00 C ATOM 501 CG ARG A 32 -57.413 16.988 3.321 1.00 0.00 C ATOM 502 CD ARG A 32 -56.411 17.000 4.478 1.00 0.00 C ATOM 503 NE ARG A 32 -56.980 17.729 5.632 1.00 0.00 N ATOM 504 CZ ARG A 32 -56.474 17.685 6.872 1.00 0.00 C ATOM 505 NH1 ARG A 32 -55.386 16.946 7.125 1.00 0.00 N ATOM 506 NH2 ARG A 32 -57.056 18.380 7.858 1.00 0.00 N ATOM 0 H ARG A 32 -56.790 13.827 2.091 1.00 0.00 H new ATOM 0 HA ARG A 32 -58.844 15.779 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -55.962 15.708 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -56.426 17.097 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.714 18.009 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -58.313 16.451 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -56.165 15.978 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.482 17.473 4.160 1.00 0.00 H new ATOM 0 HE ARG A 32 -57.810 18.301 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -54.943 16.417 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -55.001 16.912 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -57.884 18.943 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -56.671 18.346 8.802 1.00 0.00 H new ATOM 520 N LYS A 33 -58.794 16.184 -0.751 1.00 0.00 N ATOM 521 CA LYS A 33 -58.809 16.445 -2.180 1.00 0.00 C ATOM 522 C LYS A 33 -57.837 17.583 -2.498 1.00 0.00 C ATOM 523 O LYS A 33 -56.956 17.434 -3.343 1.00 0.00 O ATOM 524 CB LYS A 33 -60.238 16.705 -2.663 1.00 0.00 C ATOM 525 CG LYS A 33 -60.815 17.964 -2.014 1.00 0.00 C ATOM 526 CD LYS A 33 -62.296 18.129 -2.359 1.00 0.00 C ATOM 527 CE LYS A 33 -63.159 18.115 -1.097 1.00 0.00 C ATOM 528 NZ LYS A 33 -64.584 18.319 -1.440 1.00 0.00 N ATOM 0 H LYS A 33 -59.665 16.404 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 33 -58.465 15.569 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.245 16.815 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.868 15.848 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -60.694 17.908 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -60.260 18.839 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -62.446 19.066 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -62.609 17.326 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -63.037 17.165 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -62.828 18.898 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -65.155 18.307 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -64.698 19.236 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -64.901 17.558 -2.074 1.00 0.00 H new ATOM 542 N LYS A 34 -58.030 18.694 -1.802 1.00 0.00 N ATOM 543 CA LYS A 34 -57.181 19.857 -2.000 1.00 0.00 C ATOM 544 C LYS A 34 -57.525 20.918 -0.953 1.00 0.00 C ATOM 545 O LYS A 34 -58.636 21.447 -0.943 1.00 0.00 O ATOM 546 CB LYS A 34 -57.284 20.358 -3.441 1.00 0.00 C ATOM 547 CG LYS A 34 -56.122 19.838 -4.289 1.00 0.00 C ATOM 548 CD LYS A 34 -56.628 19.199 -5.583 1.00 0.00 C ATOM 549 CE LYS A 34 -55.548 18.324 -6.221 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.689 18.319 -7.695 1.00 0.00 N ATOM 0 H LYS A 34 -58.761 18.814 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.134 19.593 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -58.229 20.033 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.286 21.448 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -55.445 20.659 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -55.550 19.107 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.512 18.597 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -56.931 19.978 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -54.561 18.695 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.624 17.306 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -54.948 17.720 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -56.624 17.944 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -55.594 19.290 -8.056 1.00 0.00 H new ATOM 564 N GLY A 35 -56.553 21.197 -0.098 1.00 0.00 N ATOM 565 CA GLY A 35 -56.740 22.186 0.951 1.00 0.00 C ATOM 566 C GLY A 35 -55.394 22.678 1.486 1.00 0.00 C ATOM 567 O GLY A 35 -54.406 21.946 1.461 1.00 0.00 O ATOM 0 H GLY A 35 -55.633 20.756 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.312 23.029 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.323 21.753 1.764 1.00 0.00 H new ATOM 571 N CYS A 36 -55.398 23.916 1.960 1.00 0.00 N ATOM 572 CA CYS A 36 -54.190 24.514 2.501 1.00 0.00 C ATOM 573 C CYS A 36 -53.960 23.947 3.904 1.00 0.00 C ATOM 574 O CYS A 36 -54.675 24.295 4.843 1.00 0.00 O ATOM 575 CB CYS A 36 -54.270 26.041 2.509 1.00 0.00 C ATOM 576 SG CYS A 36 -52.677 26.748 3.067 1.00 0.00 S ATOM 0 H CYS A 36 -56.219 24.521 1.980 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.341 24.263 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.509 26.406 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.074 26.368 3.169 1.00 0.00 H new ATOM 581 N TRP A 37 -52.959 23.085 4.002 1.00 0.00 N ATOM 582 CA TRP A 37 -52.625 22.467 5.274 1.00 0.00 C ATOM 583 C TRP A 37 -51.616 23.368 5.987 1.00 0.00 C ATOM 584 O TRP A 37 -50.979 22.951 6.953 1.00 0.00 O ATOM 585 CB TRP A 37 -52.115 21.040 5.073 1.00 0.00 C ATOM 586 CG TRP A 37 -50.651 20.839 5.473 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.162 20.061 6.447 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.501 21.464 4.865 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.785 20.137 6.512 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.370 21.017 5.520 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.418 22.376 3.798 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.076 21.429 5.180 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.117 22.777 3.472 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.970 22.337 4.120 1.00 0.00 C ATOM 0 H TRP A 37 -52.368 22.800 3.221 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.511 22.373 5.901 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.736 20.358 5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.235 20.767 4.025 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.769 19.451 7.100 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.183 19.639 7.168 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.289 22.738 3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.206 21.066 5.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -47.997 23.478 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.000 22.694 3.807 1.00 0.00 H new ATOM 605 N LYS A 38 -51.500 24.589 5.484 1.00 0.00 N ATOM 606 CA LYS A 38 -50.578 25.553 6.060 1.00 0.00 C ATOM 607 C LYS A 38 -51.359 26.546 6.922 1.00 0.00 C ATOM 608 O LYS A 38 -50.878 26.978 7.969 1.00 0.00 O ATOM 609 CB LYS A 38 -49.740 26.215 4.965 1.00 0.00 C ATOM 610 CG LYS A 38 -48.711 27.174 5.566 1.00 0.00 C ATOM 611 CD LYS A 38 -48.685 28.500 4.803 1.00 0.00 C ATOM 612 CE LYS A 38 -47.759 29.508 5.485 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.445 29.548 4.805 1.00 0.00 N ATOM 0 H LYS A 38 -52.030 24.933 4.683 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.865 25.053 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.231 25.450 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.392 26.758 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.949 27.358 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.722 26.716 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -48.351 28.328 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -49.693 28.909 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -48.214 30.498 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.625 29.237 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.829 30.237 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.005 28.606 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -46.576 29.828 3.812 1.00 0.00 H new ATOM 627 N CYS A 39 -52.552 26.881 6.451 1.00 0.00 N ATOM 628 CA CYS A 39 -53.404 27.816 7.165 1.00 0.00 C ATOM 629 C CYS A 39 -54.582 27.038 7.754 1.00 0.00 C ATOM 630 O CYS A 39 -54.975 27.270 8.897 1.00 0.00 O ATOM 631 CB CYS A 39 -53.870 28.960 6.263 1.00 0.00 C ATOM 632 SG CYS A 39 -54.819 28.294 4.847 1.00 0.00 S ATOM 0 H CYS A 39 -52.948 26.521 5.583 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.839 28.284 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.489 29.654 6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.009 29.523 5.902 1.00 0.00 H new ATOM 637 N GLY A 40 -55.114 26.131 6.948 1.00 0.00 N ATOM 638 CA GLY A 40 -56.240 25.318 7.376 1.00 0.00 C ATOM 639 C GLY A 40 -57.507 25.685 6.601 1.00 0.00 C ATOM 640 O GLY A 40 -58.616 25.536 7.112 1.00 0.00 O ATOM 0 H GLY A 40 -54.786 25.941 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.010 24.263 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.409 25.458 8.444 1.00 0.00 H new ATOM 644 N LYS A 41 -57.300 26.159 5.381 1.00 0.00 N ATOM 645 CA LYS A 41 -58.413 26.549 4.531 1.00 0.00 C ATOM 646 C LYS A 41 -58.428 25.665 3.282 1.00 0.00 C ATOM 647 O LYS A 41 -57.492 25.696 2.484 1.00 0.00 O ATOM 648 CB LYS A 41 -58.353 28.047 4.225 1.00 0.00 C ATOM 649 CG LYS A 41 -59.436 28.806 4.993 1.00 0.00 C ATOM 650 CD LYS A 41 -58.908 30.151 5.497 1.00 0.00 C ATOM 651 CE LYS A 41 -59.580 31.314 4.763 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.972 31.489 5.234 1.00 0.00 N ATOM 0 H LYS A 41 -56.379 26.282 4.961 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.361 26.390 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.371 28.438 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.480 28.209 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.299 28.969 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.778 28.206 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.090 30.239 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -57.829 30.200 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -59.016 32.231 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -59.574 31.126 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.413 32.282 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.512 30.619 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.971 31.690 6.254 1.00 0.00 H new ATOM 666 N GLU A 42 -59.502 24.900 3.151 1.00 0.00 N ATOM 667 CA GLU A 42 -59.651 24.010 2.012 1.00 0.00 C ATOM 668 C GLU A 42 -59.979 24.811 0.751 1.00 0.00 C ATOM 669 O GLU A 42 -60.507 25.920 0.835 1.00 0.00 O ATOM 670 CB GLU A 42 -60.721 22.950 2.282 1.00 0.00 C ATOM 671 CG GLU A 42 -62.109 23.586 2.382 1.00 0.00 C ATOM 672 CD GLU A 42 -63.149 22.561 2.840 1.00 0.00 C ATOM 673 OE1 GLU A 42 -63.145 21.452 2.265 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.925 22.912 3.756 1.00 0.00 O ATOM 0 H GLU A 42 -60.277 24.878 3.814 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.705 23.493 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.713 22.209 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.491 22.423 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.081 24.420 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.397 23.994 1.413 1.00 0.00 H new ATOM 681 N GLY A 43 -59.653 24.220 -0.389 1.00 0.00 N ATOM 682 CA GLY A 43 -59.906 24.867 -1.666 1.00 0.00 C ATOM 683 C GLY A 43 -58.597 25.299 -2.330 1.00 0.00 C ATOM 684 O GLY A 43 -58.505 25.347 -3.555 1.00 0.00 O ATOM 0 H GLY A 43 -59.216 23.301 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.444 24.184 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.547 25.736 -1.517 1.00 0.00 H new ATOM 688 N HIS A 44 -57.618 25.606 -1.491 1.00 0.00 N ATOM 689 CA HIS A 44 -56.319 26.034 -1.982 1.00 0.00 C ATOM 690 C HIS A 44 -55.217 25.241 -1.275 1.00 0.00 C ATOM 691 O HIS A 44 -55.504 24.345 -0.483 1.00 0.00 O ATOM 692 CB HIS A 44 -56.152 27.547 -1.829 1.00 0.00 C ATOM 693 CG HIS A 44 -55.806 27.988 -0.427 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.743 28.059 0.589 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.617 28.377 0.116 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.135 28.476 1.690 1.00 0.00 C ATOM 697 NE2 HIS A 44 -54.817 28.673 1.395 1.00 0.00 N ATOM 0 H HIS A 44 -57.698 25.567 -0.475 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.242 25.825 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.371 27.887 -2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.076 28.037 -2.135 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.733 27.829 0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -53.673 28.435 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.601 28.633 2.652 1.00 0.00 H new ATOM 705 N GLN A 45 -53.981 25.600 -1.588 1.00 0.00 N ATOM 706 CA GLN A 45 -52.835 24.934 -0.993 1.00 0.00 C ATOM 707 C GLN A 45 -51.824 25.966 -0.489 1.00 0.00 C ATOM 708 O GLN A 45 -51.940 27.153 -0.791 1.00 0.00 O ATOM 709 CB GLN A 45 -52.185 23.969 -1.987 1.00 0.00 C ATOM 710 CG GLN A 45 -51.391 24.730 -3.052 1.00 0.00 C ATOM 711 CD GLN A 45 -49.951 24.220 -3.130 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.317 23.920 -2.132 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.472 24.141 -4.369 1.00 0.00 N ATOM 0 H GLN A 45 -53.748 26.344 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.181 24.348 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.524 23.285 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.954 23.362 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.874 24.615 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.391 25.795 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.058 24.408 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.519 23.813 -4.528 1.00 0.00 H new ATOM 722 N MET A 46 -50.854 25.476 0.268 1.00 0.00 N ATOM 723 CA MET A 46 -49.823 26.340 0.817 1.00 0.00 C ATOM 724 C MET A 46 -49.157 27.167 -0.285 1.00 0.00 C ATOM 725 O MET A 46 -49.050 28.387 -0.172 1.00 0.00 O ATOM 726 CB MET A 46 -48.767 25.490 1.527 1.00 0.00 C ATOM 727 CG MET A 46 -47.540 26.329 1.888 1.00 0.00 C ATOM 728 SD MET A 46 -46.748 25.657 3.341 1.00 0.00 S ATOM 729 CE MET A 46 -45.130 25.302 2.675 1.00 0.00 C ATOM 0 H MET A 46 -50.760 24.491 0.514 1.00 0.00 H new ATOM 0 HA MET A 46 -50.289 27.023 1.527 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.193 25.055 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.469 24.662 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 46 -46.839 26.341 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.836 27.362 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.501 24.873 3.455 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.223 24.592 1.853 1.00 0.00 H new ATOM 0 HE3 MET A 46 -44.677 26.224 2.310 1.00 0.00 H new ATOM 739 N LYS A 47 -48.728 26.469 -1.325 1.00 0.00 N ATOM 740 CA LYS A 47 -48.075 27.122 -2.448 1.00 0.00 C ATOM 741 C LYS A 47 -48.992 28.215 -3.000 1.00 0.00 C ATOM 742 O LYS A 47 -48.540 29.106 -3.716 1.00 0.00 O ATOM 743 CB LYS A 47 -47.648 26.091 -3.494 1.00 0.00 C ATOM 744 CG LYS A 47 -46.217 26.353 -3.969 1.00 0.00 C ATOM 745 CD LYS A 47 -45.200 25.689 -3.040 1.00 0.00 C ATOM 746 CE LYS A 47 -43.883 25.419 -3.771 1.00 0.00 C ATOM 747 NZ LYS A 47 -43.065 26.651 -3.837 1.00 0.00 N ATOM 0 H LYS A 47 -48.819 25.457 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.156 27.610 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.717 25.089 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.329 26.126 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.091 25.973 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.034 27.427 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.017 26.330 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.607 24.752 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -43.329 24.634 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.087 25.056 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.175 26.450 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.590 27.389 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.855 26.980 -2.873 1.00 0.00 H new ATOM 761 N ASP A 48 -50.265 28.110 -2.645 1.00 0.00 N ATOM 762 CA ASP A 48 -51.249 29.078 -3.096 1.00 0.00 C ATOM 763 C ASP A 48 -51.981 29.658 -1.883 1.00 0.00 C ATOM 764 O ASP A 48 -53.184 29.910 -1.941 1.00 0.00 O ATOM 765 CB ASP A 48 -52.290 28.422 -4.006 1.00 0.00 C ATOM 766 CG ASP A 48 -52.751 29.281 -5.185 1.00 0.00 C ATOM 767 OD1 ASP A 48 -52.210 30.400 -5.317 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.632 28.799 -5.929 1.00 0.00 O ATOM 0 H ASP A 48 -50.637 27.369 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 48 -50.726 29.858 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -51.876 27.491 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.161 28.158 -3.406 1.00 0.00 H new ATOM 773 N CYS A 49 -51.224 29.852 -0.813 1.00 0.00 N ATOM 774 CA CYS A 49 -51.785 30.398 0.411 1.00 0.00 C ATOM 775 C CYS A 49 -51.885 31.917 0.259 1.00 0.00 C ATOM 776 O CYS A 49 -51.071 32.530 -0.430 1.00 0.00 O ATOM 777 CB CYS A 49 -50.961 30.000 1.637 1.00 0.00 C ATOM 778 SG CYS A 49 -51.843 30.480 3.167 1.00 0.00 S ATOM 0 H CYS A 49 -50.227 29.641 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 49 -52.780 29.985 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.783 28.925 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -49.985 30.485 1.603 1.00 0.00 H new ATOM 783 N THR A 50 -52.889 32.481 0.913 1.00 0.00 N ATOM 784 CA THR A 50 -53.106 33.916 0.858 1.00 0.00 C ATOM 785 C THR A 50 -53.511 34.447 2.236 1.00 0.00 C ATOM 786 O THR A 50 -54.236 35.436 2.335 1.00 0.00 O ATOM 787 CB THR A 50 -54.143 34.197 -0.230 1.00 0.00 C ATOM 788 OG1 THR A 50 -54.359 35.604 -0.150 1.00 0.00 O ATOM 789 CG2 THR A 50 -55.511 33.593 0.095 1.00 0.00 C ATOM 0 H THR A 50 -53.562 31.970 1.484 1.00 0.00 H new ATOM 0 HA THR A 50 -52.189 34.445 0.597 1.00 0.00 H new ATOM 0 HB THR A 50 -53.787 33.801 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 50 -54.666 35.837 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 -56.210 33.822 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.416 32.512 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 50 -55.882 34.015 1.029 1.00 0.00 H new ATOM 797 N GLU A 51 -53.025 33.766 3.263 1.00 0.00 N ATOM 798 CA GLU A 51 -53.327 34.156 4.629 1.00 0.00 C ATOM 799 C GLU A 51 -52.082 34.016 5.509 1.00 0.00 C ATOM 800 O GLU A 51 -52.082 33.252 6.473 1.00 0.00 O ATOM 801 CB GLU A 51 -54.489 33.336 5.190 1.00 0.00 C ATOM 802 CG GLU A 51 -55.282 34.140 6.223 1.00 0.00 C ATOM 803 CD GLU A 51 -56.225 33.235 7.017 1.00 0.00 C ATOM 804 OE1 GLU A 51 -55.834 32.069 7.245 1.00 0.00 O ATOM 805 OE2 GLU A 51 -57.314 33.729 7.380 1.00 0.00 O ATOM 0 H GLU A 51 -52.424 32.946 3.176 1.00 0.00 H new ATOM 0 HA GLU A 51 -53.632 35.203 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -55.149 33.031 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -54.107 32.425 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -54.595 34.641 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.857 34.918 5.720 1.00 0.00 H new ATOM 812 N ARG A 52 -51.052 34.766 5.145 1.00 0.00 N ATOM 813 CA ARG A 52 -49.804 34.734 5.890 1.00 0.00 C ATOM 814 C ARG A 52 -49.151 36.118 5.886 1.00 0.00 C ATOM 815 O ARG A 52 -49.559 37.000 5.134 1.00 0.00 O ATOM 816 CB ARG A 52 -48.832 33.717 5.291 1.00 0.00 C ATOM 817 CG ARG A 52 -48.435 34.110 3.866 1.00 0.00 C ATOM 818 CD ARG A 52 -46.934 33.912 3.641 1.00 0.00 C ATOM 819 NE ARG A 52 -46.350 35.126 3.028 1.00 0.00 N ATOM 820 CZ ARG A 52 -45.136 35.172 2.462 1.00 0.00 C ATOM 821 NH1 ARG A 52 -44.371 34.073 2.428 1.00 0.00 N ATOM 822 NH2 ARG A 52 -44.688 36.318 1.931 1.00 0.00 N ATOM 0 H ARG A 52 -51.056 35.399 4.345 1.00 0.00 H new ATOM 0 HA ARG A 52 -50.034 34.439 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -47.941 33.649 5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -49.292 32.729 5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -48.996 33.510 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -48.699 35.152 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -46.440 33.700 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -46.765 33.051 2.994 1.00 0.00 H new ATOM 0 HE ARG A 52 -46.906 35.981 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -44.712 33.201 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -43.447 34.108 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -45.271 37.155 1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -43.764 36.354 1.500 1.00 0.00 H new ATOM 836 N GLN A 53 -48.145 36.264 6.738 1.00 0.00 N ATOM 837 CA GLN A 53 -47.430 37.524 6.843 1.00 0.00 C ATOM 838 C GLN A 53 -46.215 37.525 5.915 1.00 0.00 C ATOM 839 O GLN A 53 -45.447 36.564 5.891 1.00 0.00 O ATOM 840 CB GLN A 53 -47.015 37.801 8.289 1.00 0.00 C ATOM 841 CG GLN A 53 -47.723 39.042 8.835 1.00 0.00 C ATOM 842 CD GLN A 53 -46.761 39.908 9.651 1.00 0.00 C ATOM 843 OE1 GLN A 53 -46.330 39.549 10.735 1.00 0.00 O ATOM 844 NE2 GLN A 53 -46.448 41.064 9.072 1.00 0.00 N ATOM 0 H GLN A 53 -47.809 35.530 7.361 1.00 0.00 H new ATOM 0 HA GLN A 53 -48.100 38.325 6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -47.254 36.938 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -45.935 37.942 8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -48.131 39.625 8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -48.564 38.740 9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -46.844 41.303 8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -45.812 41.711 9.537 1.00 0.00 H new ATOM 853 N ALA A 54 -46.079 38.612 5.170 1.00 0.00 N ATOM 854 CA ALA A 54 -44.970 38.750 4.242 1.00 0.00 C ATOM 855 C ALA A 54 -43.748 39.287 4.990 1.00 0.00 C ATOM 856 O ALA A 54 -43.738 40.438 5.425 1.00 0.00 O ATOM 857 CB ALA A 54 -45.385 39.654 3.079 1.00 0.00 C ATOM 0 H ALA A 54 -46.719 39.406 5.190 1.00 0.00 H new ATOM 0 HA ALA A 54 -44.700 37.781 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -44.552 39.757 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -46.238 39.213 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -45.661 40.636 3.462 1.00 0.00 H new ATOM 863 N ASN A 55 -42.746 38.428 5.117 1.00 0.00 N ATOM 864 CA ASN A 55 -41.522 38.803 5.805 1.00 0.00 C ATOM 865 C ASN A 55 -40.319 38.270 5.023 1.00 0.00 C ATOM 866 O ASN A 55 -39.252 38.881 5.028 1.00 0.00 O ATOM 867 CB ASN A 55 -41.476 38.202 7.211 1.00 0.00 C ATOM 868 CG ASN A 55 -40.737 39.129 8.179 1.00 0.00 C ATOM 869 OD1 ASN A 55 -39.730 39.735 7.852 1.00 0.00 O ATOM 870 ND2 ASN A 55 -41.292 39.204 9.385 1.00 0.00 N ATOM 0 H ASN A 55 -42.757 37.474 4.755 1.00 0.00 H new ATOM 0 HA ASN A 55 -41.494 39.890 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -42.491 38.029 7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -40.980 37.232 7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -40.874 39.796 10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -42.136 38.670 9.592 1.00 0.00 H new HETATM 877 N NH2 A 56 -40.534 37.137 4.369 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -41.659 -13.314 1.555 1.00 0.00 O HETATM 880 P CG1 B 201 -41.910 -12.124 0.514 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -43.228 -12.301 -0.136 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -40.730 -11.972 -0.365 1.00 0.00 O HETATM 883 O5' CG1 B 201 -41.994 -10.834 1.458 1.00 0.00 O HETATM 884 C5' CG1 B 201 -42.907 -10.808 2.553 1.00 0.00 C HETATM 885 C4' CG1 B 201 -43.128 -9.385 3.013 1.00 0.00 C HETATM 886 O4' CG1 B 201 -44.450 -9.595 3.515 1.00 0.00 O HETATM 887 C3' CG1 B 201 -43.589 -8.432 1.914 1.00 0.00 C HETATM 888 O3' CG1 B 201 -42.548 -8.279 0.952 1.00 0.00 O HETATM 889 C2' CG1 B 201 -44.806 -9.079 1.312 1.00 0.00 C HETATM 890 O2' CG1 B 201 -44.249 -10.055 0.462 1.00 0.00 O HETATM 891 C1' CG1 B 201 -45.491 -9.615 2.566 1.00 0.00 C HETATM 892 N9 CG1 B 201 -46.635 -8.792 3.010 1.00 0.00 N HETATM 893 C8 CG1 B 201 -46.592 -7.610 3.660 1.00 0.00 C HETATM 894 N7 CG1 B 201 -47.801 -7.123 3.920 1.00 0.00 N HETATM 895 C5 CG1 B 201 -48.652 -8.060 3.399 1.00 0.00 C HETATM 896 C6 CG1 B 201 -50.060 -8.122 3.356 1.00 0.00 C HETATM 897 O6 CG1 B 201 -50.826 -7.275 3.815 1.00 0.00 O HETATM 898 N1 CG1 B 201 -50.622 -9.206 2.756 1.00 0.00 N HETATM 899 C2 CG1 B 201 -49.806 -10.153 2.241 1.00 0.00 C HETATM 900 N2 CG1 B 201 -50.503 -11.145 1.691 1.00 0.00 N HETATM 901 N3 CG1 B 201 -48.460 -10.197 2.226 1.00 0.00 N HETATM 902 C4 CG1 B 201 -47.963 -9.088 2.839 1.00 0.00 C HETATM 906 C CG1 B 201 -42.754 -13.872 2.277 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -43.271 -9.998 0.495 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -50.017 -11.932 1.261 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -43.856 -11.254 2.255 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -51.523 -11.118 1.699 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -51.636 -9.302 2.696 1.00 0.00 H new HETATM 0 HB CG1 B 201 -43.229 -13.095 2.876 1.00 0.00 H new HETATM 0 HA CG1 B 201 -43.480 -14.284 1.576 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -45.666 -7.109 3.941 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -42.517 -11.408 3.376 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -42.259 -9.012 3.555 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -43.824 -7.435 2.287 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -45.520 -8.499 0.727 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -45.932 -10.598 2.403 1.00 0.00 H new HETATM 0 H CG1 B 201 -42.392 -14.664 2.932 1.00 0.00 H new ATOM 915 P G B 202 -42.295 -6.855 0.268 1.00 0.00 P ATOM 916 OP1 G B 202 -40.906 -6.784 -0.237 1.00 0.00 O ATOM 917 OP2 G B 202 -42.747 -5.778 1.176 1.00 0.00 O ATOM 918 O5' G B 202 -43.279 -6.881 -0.995 1.00 0.00 O ATOM 919 C5' G B 202 -43.494 -8.099 -1.705 1.00 0.00 C ATOM 920 C4' G B 202 -44.958 -8.247 -2.050 1.00 0.00 C ATOM 921 O4' G B 202 -45.797 -8.401 -1.353 1.00 0.00 O ATOM 922 C3' G B 202 -45.460 -7.261 -3.102 1.00 0.00 C ATOM 923 O3' G B 202 -45.048 -7.696 -4.396 1.00 0.00 O ATOM 924 C2' G B 202 -46.958 -7.267 -2.970 1.00 0.00 C ATOM 925 O2' G B 202 -47.369 -7.945 -4.135 1.00 0.00 O ATOM 926 C1' G B 202 -47.125 -8.043 -1.667 1.00 0.00 C ATOM 927 N9 G B 202 -47.734 -7.248 -0.580 1.00 0.00 N ATOM 928 C8 G B 202 -47.109 -6.398 0.263 1.00 0.00 C ATOM 929 N7 G B 202 -47.941 -5.834 1.132 1.00 0.00 N ATOM 930 C5 G B 202 -49.161 -6.365 0.811 1.00 0.00 C ATOM 931 C6 G B 202 -50.444 -6.163 1.364 1.00 0.00 C ATOM 932 O6 G B 202 -50.704 -5.417 2.306 1.00 0.00 O ATOM 933 N1 G B 202 -51.480 -6.851 0.812 1.00 0.00 N ATOM 934 C2 G B 202 -51.224 -7.679 -0.225 1.00 0.00 C ATOM 935 N2 G B 202 -52.334 -8.276 -0.653 1.00 0.00 N ATOM 936 N3 G B 202 -50.050 -7.946 -0.829 1.00 0.00 N ATOM 937 C4 G B 202 -49.058 -7.230 -0.231 1.00 0.00 C ATOM 0 H5' G B 202 -43.168 -8.945 -1.099 1.00 0.00 H new ATOM 0 H5'' G B 202 -42.895 -8.109 -2.616 1.00 0.00 H new ATOM 0 H4' G B 202 -44.750 -9.276 -2.343 1.00 0.00 H new ATOM 0 H3' G B 202 -45.062 -6.256 -2.964 1.00 0.00 H new ATOM 0 H2' G B 202 -47.521 -6.335 -2.913 1.00 0.00 H new ATOM 0 HO2' G B 202 -46.705 -7.810 -4.843 1.00 0.00 H new ATOM 0 H1' G B 202 -47.805 -8.887 -1.778 1.00 0.00 H new ATOM 0 H8 G B 202 -46.048 -6.198 0.234 1.00 0.00 H new ATOM 0 H1 G B 202 -52.428 -6.744 1.173 1.00 0.00 H new ATOM 0 H21 G B 202 -52.292 -8.931 -1.434 1.00 0.00 H new ATOM 0 H22 G B 202 -53.226 -8.078 -0.200 1.00 0.00 H new ATOM 949 P C B 203 -44.401 -6.653 -5.422 1.00 0.00 P ATOM 950 OP1 C B 203 -44.093 -7.335 -6.698 1.00 0.00 O ATOM 951 OP2 C B 203 -43.301 -5.917 -4.758 1.00 0.00 O ATOM 952 O5' C B 203 -45.596 -5.622 -5.688 1.00 0.00 O ATOM 953 C5' C B 203 -46.492 -5.834 -6.777 1.00 0.00 C ATOM 954 C4' C B 203 -47.923 -5.716 -6.302 1.00 0.00 C ATOM 955 O4' C B 203 -47.961 -5.619 -4.932 1.00 0.00 O ATOM 956 C3' C B 203 -48.543 -4.337 -6.509 1.00 0.00 C ATOM 957 O3' C B 203 -48.961 -4.203 -7.866 1.00 0.00 O ATOM 958 C2' C B 203 -49.710 -4.280 -5.563 1.00 0.00 C ATOM 959 O2' C B 203 -50.779 -4.729 -6.364 1.00 0.00 O ATOM 960 C1' C B 203 -49.246 -5.253 -4.482 1.00 0.00 C ATOM 961 N1 C B 203 -49.189 -4.652 -3.133 1.00 0.00 N ATOM 962 C2 C B 203 -50.330 -4.738 -2.337 1.00 0.00 C ATOM 963 O2 C B 203 -51.327 -5.306 -2.792 1.00 0.00 O ATOM 964 N3 C B 203 -50.303 -4.198 -1.105 1.00 0.00 N ATOM 965 C4 C B 203 -49.228 -3.594 -0.636 1.00 0.00 C ATOM 966 N4 C B 203 -49.222 -3.068 0.583 1.00 0.00 N ATOM 967 C5 C B 203 -48.033 -3.492 -1.441 1.00 0.00 C ATOM 968 C6 C B 203 -48.076 -4.035 -2.666 1.00 0.00 C ATOM 0 H5' C B 203 -46.324 -6.820 -7.210 1.00 0.00 H new ATOM 0 H5'' C B 203 -46.300 -5.104 -7.564 1.00 0.00 H new ATOM 0 H4' C B 203 -48.401 -6.552 -6.813 1.00 0.00 H new ATOM 0 H3' C B 203 -47.844 -3.524 -6.312 1.00 0.00 H new ATOM 0 H2' C B 203 -50.014 -3.341 -5.100 1.00 0.00 H new ATOM 0 HO2' C B 203 -50.427 -5.117 -7.192 1.00 0.00 H new ATOM 0 H1' C B 203 -49.935 -6.089 -4.360 1.00 0.00 H new ATOM 0 H41 C B 203 -48.384 -2.604 0.934 1.00 0.00 H new ATOM 0 H42 C B 203 -50.055 -3.128 1.169 1.00 0.00 H new ATOM 0 H5 C B 203 -47.145 -3.000 -1.073 1.00 0.00 H new ATOM 0 H6 C B 203 -47.201 -3.979 -3.297 1.00 0.00 H new ATOM 980 P G B 204 -48.619 -2.871 -8.682 1.00 0.00 P ATOM 981 OP1 G B 204 -48.297 -3.215 -10.085 1.00 0.00 O ATOM 982 OP2 G B 204 -47.628 -2.068 -7.931 1.00 0.00 O ATOM 983 O5' G B 204 -50.008 -2.077 -8.673 1.00 0.00 O ATOM 984 C5' G B 204 -51.239 -2.792 -8.745 1.00 0.00 C ATOM 985 C4' G B 204 -52.316 -2.053 -7.984 1.00 0.00 C ATOM 986 O4' G B 204 -52.984 -2.148 -7.039 1.00 0.00 O ATOM 987 C3' G B 204 -52.638 -0.666 -8.535 1.00 0.00 C ATOM 988 O3' G B 204 -53.606 -0.783 -9.576 1.00 0.00 O ATOM 989 C2' G B 204 -53.176 0.111 -7.367 1.00 0.00 C ATOM 990 O2' G B 204 -54.440 0.531 -7.829 1.00 0.00 O ATOM 991 C1' G B 204 -53.198 -0.972 -6.291 1.00 0.00 C ATOM 992 N9 G B 204 -52.154 -0.798 -5.259 1.00 0.00 N ATOM 993 C8 G B 204 -50.846 -1.114 -5.355 1.00 0.00 C ATOM 994 N7 G B 204 -50.168 -0.833 -4.247 1.00 0.00 N ATOM 995 C5 G B 204 -51.113 -0.309 -3.407 1.00 0.00 C ATOM 996 C6 G B 204 -51.023 0.179 -2.086 1.00 0.00 C ATOM 997 O6 G B 204 -49.997 0.219 -1.410 1.00 0.00 O ATOM 998 N1 G B 204 -52.166 0.643 -1.510 1.00 0.00 N ATOM 999 C2 G B 204 -53.310 0.610 -2.230 1.00 0.00 C ATOM 1000 N2 G B 204 -54.333 1.097 -1.532 1.00 0.00 N ATOM 1001 N3 G B 204 -53.510 0.172 -3.487 1.00 0.00 N ATOM 1002 C4 G B 204 -52.334 -0.278 -4.004 1.00 0.00 C ATOM 0 H5' G B 204 -51.112 -3.792 -8.331 1.00 0.00 H new ATOM 0 H5'' G B 204 -51.537 -2.914 -9.786 1.00 0.00 H new ATOM 0 H4' G B 204 -52.086 -3.107 -7.827 1.00 0.00 H new ATOM 0 H3' G B 204 -51.769 -0.168 -8.965 1.00 0.00 H new ATOM 0 H2' G B 204 -52.653 0.989 -6.988 1.00 0.00 H new ATOM 0 HO2' G B 204 -54.756 1.280 -7.282 1.00 0.00 H new ATOM 0 H1' G B 204 -54.126 -0.965 -5.720 1.00 0.00 H new ATOM 0 H8 G B 204 -50.398 -1.548 -6.237 1.00 0.00 H new ATOM 0 H1 G B 204 -52.159 1.007 -0.557 1.00 0.00 H new ATOM 0 H21 G B 204 -55.263 1.135 -1.949 1.00 0.00 H new ATOM 0 H22 G B 204 -54.187 1.432 -0.580 1.00 0.00 H new ATOM 1014 P A B 205 -53.518 0.165 -10.861 1.00 0.00 P ATOM 1015 OP1 A B 205 -54.524 -0.257 -11.862 1.00 0.00 O ATOM 1016 OP2 A B 205 -52.111 0.269 -11.309 1.00 0.00 O ATOM 1017 O5' A B 205 -53.961 1.591 -10.287 1.00 0.00 O ATOM 1018 C5' A B 205 -53.057 2.350 -9.487 1.00 0.00 C ATOM 1019 C4' A B 205 -53.820 3.141 -8.448 1.00 0.00 C ATOM 1020 O4' A B 205 -54.052 2.913 -7.401 1.00 0.00 O ATOM 1021 C3' A B 205 -53.633 4.652 -8.546 1.00 0.00 C ATOM 1022 O3' A B 205 -54.725 5.220 -9.265 1.00 0.00 O ATOM 1023 C2' A B 205 -53.596 5.140 -7.123 1.00 0.00 C ATOM 1024 O2' A B 205 -54.705 6.008 -7.064 1.00 0.00 O ATOM 1025 C1' A B 205 -53.752 3.823 -6.367 1.00 0.00 C ATOM 1026 N9 A B 205 -52.536 3.416 -5.634 1.00 0.00 N ATOM 1027 C8 A B 205 -51.439 2.814 -6.136 1.00 0.00 C ATOM 1028 N7 A B 205 -50.514 2.579 -5.211 1.00 0.00 N ATOM 1029 C5 A B 205 -51.069 3.066 -4.059 1.00 0.00 C ATOM 1030 C6 A B 205 -50.585 3.113 -2.735 1.00 0.00 C ATOM 1031 N6 A B 205 -49.374 2.641 -2.341 1.00 0.00 N ATOM 1032 N1 A B 205 -51.392 3.674 -1.792 1.00 0.00 N ATOM 1033 C2 A B 205 -52.598 4.147 -2.176 1.00 0.00 C ATOM 1034 N3 A B 205 -53.158 4.155 -3.400 1.00 0.00 N ATOM 1035 C4 A B 205 -52.304 3.583 -4.293 1.00 0.00 C ATOM 0 H5' A B 205 -52.480 3.026 -10.118 1.00 0.00 H new ATOM 0 H5'' A B 205 -52.345 1.685 -8.998 1.00 0.00 H new ATOM 0 H4' A B 205 -54.674 2.608 -8.867 1.00 0.00 H new ATOM 0 H3' A B 205 -52.724 4.934 -9.078 1.00 0.00 H new ATOM 0 H2' A B 205 -52.732 5.680 -6.737 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.338 5.779 -7.776 1.00 0.00 H new ATOM 0 H1' A B 205 -54.511 3.885 -5.587 1.00 0.00 H new ATOM 0 H8 A B 205 -51.324 2.551 -7.177 1.00 0.00 H new ATOM 0 H61 A B 205 -49.093 2.711 -1.363 1.00 0.00 H new ATOM 0 H62 A B 205 -48.745 2.217 -3.023 1.00 0.00 H new ATOM 0 H2 A B 205 -53.198 4.580 -1.389 1.00 0.00 H new ATOM 1047 P C B 206 -54.490 6.495 -10.202 1.00 0.00 P ATOM 1048 OP1 C B 206 -55.792 7.112 -10.541 1.00 0.00 O ATOM 1049 OP2 C B 206 -53.595 6.130 -11.323 1.00 0.00 O ATOM 1050 O5' C B 206 -53.699 7.504 -9.246 1.00 0.00 O ATOM 1051 C5' C B 206 -54.412 8.491 -8.505 1.00 0.00 C ATOM 1052 C4' C B 206 -53.748 8.716 -7.165 1.00 0.00 C ATOM 1053 O4' C B 206 -52.992 7.783 -6.951 1.00 0.00 O ATOM 1054 C3' C B 206 -52.770 9.888 -7.135 1.00 0.00 C ATOM 1055 O3' C B 206 -53.460 11.072 -6.740 1.00 0.00 O ATOM 1056 C2' C B 206 -51.719 9.502 -6.132 1.00 0.00 C ATOM 1057 O2' C B 206 -52.176 10.120 -4.950 1.00 0.00 O ATOM 1058 C1' C B 206 -51.838 7.981 -6.166 1.00 0.00 C ATOM 1059 N1 C B 206 -50.665 7.310 -6.762 1.00 0.00 N ATOM 1060 C2 C B 206 -49.674 6.845 -5.899 1.00 0.00 C ATOM 1061 O2 C B 206 -49.824 7.014 -4.683 1.00 0.00 O ATOM 1062 N3 C B 206 -48.597 6.231 -6.418 1.00 0.00 N ATOM 1063 C4 C B 206 -48.455 6.060 -7.717 1.00 0.00 C ATOM 1064 N4 C B 206 -47.384 5.451 -8.211 1.00 0.00 N ATOM 1065 C5 C B 206 -49.466 6.532 -8.635 1.00 0.00 C ATOM 1066 C6 C B 206 -50.534 7.142 -8.101 1.00 0.00 C ATOM 0 H5' C B 206 -55.444 8.172 -8.359 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.443 9.425 -9.065 1.00 0.00 H new ATOM 0 H4' C B 206 -54.574 8.863 -6.470 1.00 0.00 H new ATOM 0 H3' C B 206 -52.323 10.092 -8.108 1.00 0.00 H new ATOM 0 H2' C B 206 -50.677 9.787 -6.273 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.562 10.842 -4.700 1.00 0.00 H new ATOM 0 H1' C B 206 -51.895 7.552 -5.165 1.00 0.00 H new ATOM 0 H41 C B 206 -47.288 5.326 -9.219 1.00 0.00 H new ATOM 0 H42 C B 206 -46.657 5.108 -7.583 1.00 0.00 H new ATOM 0 H5 C B 206 -49.366 6.400 -9.702 1.00 0.00 H new ATOM 0 H6 C B 206 -51.311 7.509 -8.755 1.00 0.00 H new ATOM 1078 P U B 207 -53.357 12.395 -7.633 1.00 0.00 P ATOM 1079 OP1 U B 207 -54.659 13.096 -7.639 1.00 0.00 O ATOM 1080 OP2 U B 207 -52.753 12.065 -8.944 1.00 0.00 O ATOM 1081 O5' U B 207 -52.313 13.296 -6.822 1.00 0.00 O ATOM 1082 C5' U B 207 -52.553 13.604 -5.451 1.00 0.00 C ATOM 1083 C4' U B 207 -51.307 13.347 -4.633 1.00 0.00 C ATOM 1084 O4' U B 207 -50.684 12.141 -4.976 1.00 0.00 O ATOM 1085 C3' U B 207 -50.096 14.175 -5.053 1.00 0.00 C ATOM 1086 O3' U B 207 -50.241 15.507 -4.563 1.00 0.00 O ATOM 1087 C2' U B 207 -48.911 13.486 -4.437 1.00 0.00 C ATOM 1088 O2' U B 207 -48.870 14.040 -3.140 1.00 0.00 O ATOM 1089 C1' U B 207 -49.357 12.029 -4.513 1.00 0.00 C ATOM 1090 N1 U B 207 -48.539 11.210 -5.431 1.00 0.00 N ATOM 1091 C2 U B 207 -47.495 10.538 -4.871 1.00 0.00 C ATOM 1092 O2 U B 207 -47.218 10.586 -3.683 1.00 0.00 O ATOM 1093 N3 U B 207 -46.731 9.774 -5.724 1.00 0.00 N ATOM 1094 C4 U B 207 -46.973 9.666 -7.071 1.00 0.00 C ATOM 1095 O4 U B 207 -46.224 8.954 -7.737 1.00 0.00 O ATOM 1096 C5 U B 207 -48.075 10.387 -7.602 1.00 0.00 C ATOM 1097 C6 U B 207 -48.802 11.122 -6.758 1.00 0.00 C ATOM 0 H5' U B 207 -53.376 12.998 -5.073 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.853 14.647 -5.352 1.00 0.00 H new ATOM 0 H4' U B 207 -51.701 13.488 -3.626 1.00 0.00 H new ATOM 0 H3' U B 207 -49.984 14.246 -6.135 1.00 0.00 H new ATOM 0 H2' U B 207 -47.916 13.584 -4.872 1.00 0.00 H new ATOM 0 HO2' U B 207 -49.493 14.795 -3.087 1.00 0.00 H new ATOM 0 H1' U B 207 -49.256 11.518 -3.555 1.00 0.00 H new ATOM 0 H3 U B 207 -45.941 9.260 -5.334 1.00 0.00 H new ATOM 0 H5 U B 207 -48.317 10.342 -8.654 1.00 0.00 H new ATOM 0 H6 U B 207 -49.642 11.675 -7.152 1.00 0.00 H new ATOM 1108 P G B 208 -49.432 16.705 -5.250 1.00 0.00 P ATOM 1109 OP1 G B 208 -49.632 17.950 -4.477 1.00 0.00 O ATOM 1110 OP2 G B 208 -49.734 16.743 -6.698 1.00 0.00 O ATOM 1111 O5' G B 208 -47.906 16.255 -5.075 1.00 0.00 O ATOM 1112 C5' G B 208 -47.250 16.433 -3.822 1.00 0.00 C ATOM 1113 C4' G B 208 -45.871 15.814 -3.865 1.00 0.00 C ATOM 1114 O4' G B 208 -46.001 14.832 -4.540 1.00 0.00 O ATOM 1115 C3' G B 208 -44.852 16.600 -4.688 1.00 0.00 C ATOM 1116 O3' G B 208 -44.098 17.447 -3.823 1.00 0.00 O ATOM 1117 C2' G B 208 -43.982 15.561 -5.339 1.00 0.00 C ATOM 1118 O2' G B 208 -42.824 15.579 -4.534 1.00 0.00 O ATOM 1119 C1' G B 208 -44.861 14.323 -5.195 1.00 0.00 C ATOM 1120 N9 G B 208 -45.220 13.702 -6.488 1.00 0.00 N ATOM 1121 C8 G B 208 -46.238 14.044 -7.307 1.00 0.00 C ATOM 1122 N7 G B 208 -46.292 13.289 -8.398 1.00 0.00 N ATOM 1123 C5 G B 208 -45.243 12.422 -8.252 1.00 0.00 C ATOM 1124 C6 G B 208 -44.772 11.376 -9.074 1.00 0.00 C ATOM 1125 O6 G B 208 -45.264 11.039 -10.151 1.00 0.00 O ATOM 1126 N1 G B 208 -43.684 10.682 -8.643 1.00 0.00 N ATOM 1127 C2 G B 208 -43.122 11.031 -7.464 1.00 0.00 C ATOM 1128 N2 G B 208 -42.072 10.262 -7.183 1.00 0.00 N ATOM 1129 N3 G B 208 -43.484 12.001 -6.605 1.00 0.00 N ATOM 1130 C4 G B 208 -44.575 12.656 -7.093 1.00 0.00 C ATOM 0 H5' G B 208 -47.838 15.975 -3.027 1.00 0.00 H new ATOM 0 H5'' G B 208 -47.173 17.495 -3.591 1.00 0.00 H new ATOM 0 H4' G B 208 -45.532 15.713 -2.834 1.00 0.00 H new ATOM 0 H3' G B 208 -45.315 17.243 -5.437 1.00 0.00 H new ATOM 0 H2' G B 208 -43.666 15.663 -6.377 1.00 0.00 H new ATOM 0 HO2' G B 208 -42.865 16.341 -3.919 1.00 0.00 H new ATOM 0 H1' G B 208 -44.355 13.521 -4.658 1.00 0.00 H new ATOM 0 H8 G B 208 -46.932 14.844 -7.097 1.00 0.00 H new ATOM 0 H1 G B 208 -43.301 9.916 -9.197 1.00 0.00 H new ATOM 0 H21 G B 208 -41.547 10.411 -6.321 1.00 0.00 H new ATOM 0 H22 G B 208 -41.793 9.524 -7.829 1.00 0.00 H new ATOM 1142 P G B 209 -43.869 18.983 -4.210 1.00 0.00 P ATOM 1143 OP1 G B 209 -44.463 19.256 -5.538 1.00 0.00 O ATOM 1144 OP2 G B 209 -42.446 19.339 -4.012 1.00 0.00 O ATOM 1145 O5' G B 209 -44.731 19.764 -3.113 1.00 0.00 O ATOM 1146 C5' G B 209 -44.193 19.990 -1.811 1.00 0.00 C ATOM 1147 C4' G B 209 -45.051 19.310 -0.769 1.00 0.00 C ATOM 1148 O4' G B 209 -45.848 19.558 0.358 1.00 0.00 O ATOM 1149 C3' G B 209 -45.857 18.124 -1.291 1.00 0.00 C ATOM 1150 O3' G B 209 -45.489 16.948 -0.572 1.00 0.00 O ATOM 1151 C2' G B 209 -47.296 18.487 -1.055 1.00 0.00 C ATOM 1152 O2' G B 209 -47.939 17.231 -1.065 1.00 0.00 O ATOM 1153 C1' G B 209 -47.201 19.163 0.309 1.00 0.00 C ATOM 1154 N9 G B 209 -48.103 20.324 0.457 1.00 0.00 N ATOM 1155 C8 G B 209 -47.828 21.616 0.178 1.00 0.00 C ATOM 1156 N7 G B 209 -48.857 22.422 0.420 1.00 0.00 N ATOM 1157 C5 G B 209 -49.833 21.581 0.879 1.00 0.00 C ATOM 1158 C6 G B 209 -51.156 21.827 1.303 1.00 0.00 C ATOM 1159 O6 G B 209 -51.701 22.929 1.335 1.00 0.00 O ATOM 1160 N1 G B 209 -51.893 20.758 1.711 1.00 0.00 N ATOM 1161 C2 G B 209 -51.321 19.533 1.687 1.00 0.00 C ATOM 1162 N2 G B 209 -52.164 18.597 2.113 1.00 0.00 N ATOM 1163 N3 G B 209 -50.077 19.184 1.306 1.00 0.00 N ATOM 1164 C4 G B 209 -49.395 20.294 0.910 1.00 0.00 C ATOM 0 H5' G B 209 -44.143 21.060 -1.610 1.00 0.00 H new ATOM 0 H5'' G B 209 -43.173 19.608 -1.759 1.00 0.00 H new ATOM 0 H4' G B 209 -44.083 19.586 -0.352 1.00 0.00 H new ATOM 0 H3' G B 209 -45.677 17.919 -2.346 1.00 0.00 H new ATOM 0 H2' G B 209 -47.830 19.139 -1.746 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.652 16.711 -0.286 1.00 0.00 H new ATOM 0 H1' G B 209 -47.506 18.500 1.118 1.00 0.00 H new ATOM 0 H8 G B 209 -46.876 21.957 -0.201 1.00 0.00 H new ATOM 0 H1 G B 209 -52.855 20.878 2.028 1.00 0.00 H new ATOM 0 H21 G B 209 -51.867 17.622 2.149 1.00 0.00 H new ATOM 0 H22 G B 209 -53.107 18.854 2.404 1.00 0.00 H new ATOM 1176 P U B 210 -43.978 16.424 -0.617 1.00 0.00 P ATOM 1177 OP1 U B 210 -43.076 17.534 -0.992 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.905 15.183 -1.420 1.00 0.00 O ATOM 1179 O5' U B 210 -43.685 16.041 0.909 1.00 0.00 O ATOM 1180 C5' U B 210 -43.112 14.776 1.231 1.00 0.00 C ATOM 1181 C4' U B 210 -44.178 13.704 1.220 1.00 0.00 C ATOM 1182 O4' U B 210 -45.526 13.625 1.596 1.00 0.00 O ATOM 1183 C3' U B 210 -44.182 12.831 -0.031 1.00 0.00 C ATOM 1184 O3' U B 210 -43.873 11.487 0.328 1.00 0.00 O ATOM 1185 C2' U B 210 -45.573 12.947 -0.592 1.00 0.00 C ATOM 1186 O2' U B 210 -45.696 11.773 -1.361 1.00 0.00 O ATOM 1187 C1' U B 210 -46.395 12.979 0.694 1.00 0.00 C ATOM 1188 N1 U B 210 -47.670 13.714 0.559 1.00 0.00 N ATOM 1189 C2 U B 210 -48.700 13.036 -0.017 1.00 0.00 C ATOM 1190 O2 U B 210 -48.615 11.884 -0.414 1.00 0.00 O ATOM 1191 N3 U B 210 -49.888 13.720 -0.143 1.00 0.00 N ATOM 1192 C4 U B 210 -50.069 15.013 0.276 1.00 0.00 C ATOM 1193 O4 U B 210 -51.175 15.525 0.113 1.00 0.00 O ATOM 1194 C5 U B 210 -48.962 15.675 0.871 1.00 0.00 C ATOM 1195 C6 U B 210 -47.819 14.994 0.982 1.00 0.00 C ATOM 0 H5' U B 210 -42.641 14.821 2.213 1.00 0.00 H new ATOM 0 H5'' U B 210 -42.330 14.529 0.513 1.00 0.00 H new ATOM 0 H4' U B 210 -43.714 13.560 2.196 1.00 0.00 H new ATOM 0 H3' U B 210 -43.440 13.140 -0.767 1.00 0.00 H new ATOM 0 H2' U B 210 -45.856 13.788 -1.225 1.00 0.00 H new ATOM 0 HO2' U B 210 -46.614 11.435 -1.298 1.00 0.00 H new ATOM 0 H1' U B 210 -46.707 11.983 1.007 1.00 0.00 H new ATOM 0 H3 U B 210 -50.678 13.238 -0.572 1.00 0.00 H new ATOM 0 H5 U B 210 -49.042 16.693 1.221 1.00 0.00 H new ATOM 0 H6 U B 210 -46.970 15.487 1.431 1.00 0.00 H new ATOM 1206 P G B 211 -42.781 10.666 -0.505 1.00 0.00 P ATOM 1207 OP1 G B 211 -42.111 11.567 -1.470 1.00 0.00 O ATOM 1208 OP2 G B 211 -43.386 9.425 -1.037 1.00 0.00 O ATOM 1209 O5' G B 211 -41.711 10.256 0.612 1.00 0.00 O ATOM 1210 C5' G B 211 -40.452 10.922 0.674 1.00 0.00 C ATOM 1211 C4' G B 211 -39.519 10.186 1.608 1.00 0.00 C ATOM 1212 O4' G B 211 -39.613 10.706 2.549 1.00 0.00 O ATOM 1213 C3' G B 211 -39.891 8.726 1.850 1.00 0.00 C ATOM 1214 O3' G B 211 -38.833 7.885 1.396 1.00 0.00 O ATOM 1215 C2' G B 211 -40.092 8.607 3.335 1.00 0.00 C ATOM 1216 O2' G B 211 -39.023 7.776 3.727 1.00 0.00 O ATOM 1217 C1' G B 211 -39.973 10.070 3.755 1.00 0.00 C ATOM 1218 N9 G B 211 -41.226 10.631 4.301 1.00 0.00 N ATOM 1219 C8 G B 211 -42.279 11.113 3.608 1.00 0.00 C ATOM 1220 N7 G B 211 -43.257 11.546 4.397 1.00 0.00 N ATOM 1221 C5 G B 211 -42.784 11.320 5.662 1.00 0.00 C ATOM 1222 C6 G B 211 -43.352 11.563 6.929 1.00 0.00 C ATOM 1223 O6 G B 211 -44.459 12.061 7.131 1.00 0.00 O ATOM 1224 N1 G B 211 -42.618 11.220 8.022 1.00 0.00 N ATOM 1225 C2 G B 211 -41.397 10.670 7.831 1.00 0.00 C ATOM 1226 N2 G B 211 -40.806 10.392 8.991 1.00 0.00 N ATOM 1227 N3 G B 211 -40.760 10.396 6.678 1.00 0.00 N ATOM 1228 C4 G B 211 -41.546 10.761 5.627 1.00 0.00 C ATOM 0 H5' G B 211 -40.591 11.947 1.019 1.00 0.00 H new ATOM 0 H5'' G B 211 -40.012 10.978 -0.322 1.00 0.00 H new ATOM 0 H4' G B 211 -38.520 10.173 1.173 1.00 0.00 H new ATOM 0 H3' G B 211 -40.789 8.423 1.312 1.00 0.00 H new ATOM 0 H2' G B 211 -41.009 8.184 3.746 1.00 0.00 H new ATOM 0 HO2' G B 211 -38.209 8.314 3.824 1.00 0.00 H new ATOM 0 H1' G B 211 -39.258 10.206 4.566 1.00 0.00 H new ATOM 0 H8 G B 211 -42.322 11.144 2.529 1.00 0.00 H new ATOM 0 H1 G B 211 -42.980 11.374 8.963 1.00 0.00 H new ATOM 0 H21 G B 211 -39.877 9.972 9.002 1.00 0.00 H new ATOM 0 H22 G B 211 -41.283 10.599 9.869 1.00 0.00 H new ATOM 1240 P A B 212 -37.314 8.260 1.731 1.00 0.00 P ATOM 1241 OP1 A B 212 -36.542 7.025 1.992 1.00 0.00 O ATOM 1242 OP2 A B 212 -37.278 9.319 2.764 1.00 0.00 O ATOM 1243 O5' A B 212 -36.788 8.890 0.357 1.00 0.00 O ATOM 1244 C5' A B 212 -36.604 8.058 -0.785 1.00 0.00 C ATOM 1245 C4' A B 212 -37.940 7.746 -1.422 1.00 0.00 C ATOM 1246 O4' A B 212 -38.675 8.187 -2.541 1.00 0.00 O ATOM 1247 C3' A B 212 -38.130 6.280 -1.803 1.00 0.00 C ATOM 1248 O3' A B 212 -37.735 5.452 -0.711 1.00 0.00 O ATOM 1249 C2' A B 212 -39.596 6.135 -2.103 1.00 0.00 C ATOM 1250 O2' A B 212 -40.132 5.758 -0.855 1.00 0.00 O ATOM 1251 C1' A B 212 -39.934 7.551 -2.560 1.00 0.00 C ATOM 1252 N9 A B 212 -40.540 7.606 -3.907 1.00 0.00 N ATOM 1253 C8 A B 212 -39.935 7.366 -5.089 1.00 0.00 C ATOM 1254 N7 A B 212 -40.758 7.500 -6.123 1.00 0.00 N ATOM 1255 C5 A B 212 -41.953 7.846 -5.550 1.00 0.00 C ATOM 1256 C6 A B 212 -43.215 8.125 -6.116 1.00 0.00 C ATOM 1257 N6 A B 212 -43.485 8.096 -7.447 1.00 0.00 N ATOM 1258 N1 A B 212 -44.226 8.446 -5.263 1.00 0.00 N ATOM 1259 C2 A B 212 -43.966 8.476 -3.936 1.00 0.00 C ATOM 1260 N3 A B 212 -42.811 8.230 -3.293 1.00 0.00 N ATOM 1261 C4 A B 212 -41.843 7.917 -4.198 1.00 0.00 C ATOM 0 H5' A B 212 -36.106 7.133 -0.494 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.956 8.556 -1.506 1.00 0.00 H new ATOM 0 H4' A B 212 -38.264 8.348 -0.573 1.00 0.00 H new ATOM 0 H3' A B 212 -37.527 5.982 -2.661 1.00 0.00 H new ATOM 0 H2' A B 212 -39.949 5.419 -2.846 1.00 0.00 H new ATOM 0 HO2' A B 212 -40.953 5.242 -0.994 1.00 0.00 H new ATOM 0 H1' A B 212 -40.684 8.020 -1.923 1.00 0.00 H new ATOM 0 H8 A B 212 -38.894 7.094 -5.184 1.00 0.00 H new ATOM 0 H61 A B 212 -44.424 8.310 -7.782 1.00 0.00 H new ATOM 0 H62 A B 212 -42.748 7.860 -8.112 1.00 0.00 H new ATOM 0 H2 A B 212 -44.803 8.734 -3.304 1.00 0.00 H new ATOM 1273 P G B 213 -37.629 3.868 -0.907 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.073 3.250 0.317 1.00 0.00 O ATOM 1275 OP2 G B 213 -36.954 3.568 -2.190 1.00 0.00 O ATOM 1276 O5' G B 213 -39.159 3.418 -1.037 1.00 0.00 O ATOM 1277 C5' G B 213 -39.873 2.978 0.116 1.00 0.00 C ATOM 1278 C4' G B 213 -41.343 3.301 -0.029 1.00 0.00 C ATOM 1279 O4' G B 213 -41.812 4.000 -0.748 1.00 0.00 O ATOM 1280 C3' G B 213 -42.265 2.085 0.026 1.00 0.00 C ATOM 1281 O3' G B 213 -42.398 1.654 1.378 1.00 0.00 O ATOM 1282 C2' G B 213 -43.577 2.556 -0.536 1.00 0.00 C ATOM 1283 O2' G B 213 -44.402 2.607 0.606 1.00 0.00 O ATOM 1284 C1' G B 213 -43.170 3.908 -1.113 1.00 0.00 C ATOM 1285 N9 G B 213 -43.337 3.998 -2.579 1.00 0.00 N ATOM 1286 C8 G B 213 -42.478 3.572 -3.529 1.00 0.00 C ATOM 1287 N7 G B 213 -42.921 3.798 -4.760 1.00 0.00 N ATOM 1288 C5 G B 213 -44.134 4.404 -4.567 1.00 0.00 C ATOM 1289 C6 G B 213 -45.093 4.890 -5.481 1.00 0.00 C ATOM 1290 O6 G B 213 -44.996 4.846 -6.706 1.00 0.00 O ATOM 1291 N1 G B 213 -46.220 5.452 -4.965 1.00 0.00 N ATOM 1292 C2 G B 213 -46.355 5.513 -3.622 1.00 0.00 C ATOM 1293 N2 G B 213 -47.505 6.087 -3.277 1.00 0.00 N ATOM 1294 N3 G B 213 -45.511 5.087 -2.663 1.00 0.00 N ATOM 1295 C4 G B 213 -44.408 4.536 -3.243 1.00 0.00 C ATOM 0 H5' G B 213 -39.473 3.461 1.007 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.740 1.904 0.248 1.00 0.00 H new ATOM 0 H4' G B 213 -41.249 3.942 0.848 1.00 0.00 H new ATOM 0 H3' G B 213 -41.884 1.236 -0.541 1.00 0.00 H new ATOM 0 H2' G B 213 -44.102 1.980 -1.298 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.753 1.712 0.796 1.00 0.00 H new ATOM 0 H1' G B 213 -43.793 4.719 -0.735 1.00 0.00 H new ATOM 0 H8 G B 213 -41.532 3.098 -3.311 1.00 0.00 H new ATOM 0 H1 G B 213 -46.947 5.819 -5.579 1.00 0.00 H new ATOM 0 H21 G B 213 -47.743 6.201 -2.292 1.00 0.00 H new ATOM 0 H22 G B 213 -48.149 6.413 -3.998 1.00 0.00 H new ATOM 1307 P U B 214 -41.933 0.181 1.799 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.566 0.233 2.362 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.176 -0.756 0.679 1.00 0.00 O ATOM 1310 O5' U B 214 -42.943 -0.191 2.983 1.00 0.00 O ATOM 1311 C5' U B 214 -43.692 0.836 3.630 1.00 0.00 C ATOM 1312 C4' U B 214 -45.144 0.762 3.215 1.00 0.00 C ATOM 1313 O4' U B 214 -45.624 1.167 2.306 1.00 0.00 O ATOM 1314 C3' U B 214 -45.816 -0.576 3.510 1.00 0.00 C ATOM 1315 O3' U B 214 -46.645 -0.445 4.663 1.00 0.00 O ATOM 1316 C2' U B 214 -46.624 -0.894 2.283 1.00 0.00 C ATOM 1317 O2' U B 214 -47.879 -1.246 2.819 1.00 0.00 O ATOM 1318 C1' U B 214 -46.574 0.445 1.554 1.00 0.00 C ATOM 1319 N1 U B 214 -46.160 0.332 0.140 1.00 0.00 N ATOM 1320 C2 U B 214 -47.020 0.846 -0.782 1.00 0.00 C ATOM 1321 O2 U B 214 -48.082 1.377 -0.497 1.00 0.00 O ATOM 1322 N3 U B 214 -46.637 0.741 -2.101 1.00 0.00 N ATOM 1323 C4 U B 214 -45.462 0.160 -2.507 1.00 0.00 C ATOM 1324 O4 U B 214 -45.223 0.122 -3.713 1.00 0.00 O ATOM 1325 C5 U B 214 -44.602 -0.359 -1.504 1.00 0.00 C ATOM 1326 C6 U B 214 -44.993 -0.248 -0.233 1.00 0.00 C ATOM 0 H5' U B 214 -43.282 1.813 3.373 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.609 0.730 4.712 1.00 0.00 H new ATOM 0 H4' U B 214 -45.303 1.617 3.873 1.00 0.00 H new ATOM 0 H3' U B 214 -45.102 -1.372 3.722 1.00 0.00 H new ATOM 0 H2' U B 214 -46.321 -1.689 1.602 1.00 0.00 H new ATOM 0 HO2' U B 214 -47.950 -0.907 3.736 1.00 0.00 H new ATOM 0 H1' U B 214 -47.555 0.916 1.496 1.00 0.00 H new ATOM 0 H3 U B 214 -47.261 1.116 -2.815 1.00 0.00 H new ATOM 0 H5 U B 214 -43.663 -0.828 -1.761 1.00 0.00 H new ATOM 0 H6 U B 214 -44.347 -0.640 0.538 1.00 0.00 H new ATOM 1337 P A B 215 -46.096 -0.888 6.098 1.00 0.00 P ATOM 1338 OP1 A B 215 -44.706 -0.410 6.269 1.00 0.00 O ATOM 1339 OP2 A B 215 -46.353 -2.329 6.307 1.00 0.00 O ATOM 1340 O5' A B 215 -47.028 -0.068 7.108 1.00 0.00 O ATOM 1341 C5' A B 215 -48.441 -0.250 7.082 1.00 0.00 C ATOM 1342 C4' A B 215 -49.123 0.856 7.856 1.00 0.00 C ATOM 1343 O4' A B 215 -48.494 2.013 7.376 1.00 0.00 O ATOM 1344 C3' A B 215 -50.580 1.093 7.466 1.00 0.00 C ATOM 1345 O3' A B 215 -51.433 0.595 8.494 1.00 0.00 O ATOM 1346 C2' A B 215 -50.712 2.583 7.313 1.00 0.00 C ATOM 1347 O2' A B 215 -50.931 3.013 8.638 1.00 0.00 O ATOM 1348 C1' A B 215 -49.346 2.931 6.728 1.00 0.00 C ATOM 1349 N9 A B 215 -49.277 2.779 5.260 1.00 0.00 N ATOM 1350 C8 A B 215 -48.384 2.057 4.551 1.00 0.00 C ATOM 1351 N7 A B 215 -48.593 2.125 3.241 1.00 0.00 N ATOM 1352 C5 A B 215 -49.686 2.942 3.125 1.00 0.00 C ATOM 1353 C6 A B 215 -50.395 3.400 1.994 1.00 0.00 C ATOM 1354 N6 A B 215 -50.086 3.079 0.710 1.00 0.00 N ATOM 1355 N1 A B 215 -51.461 4.218 2.212 1.00 0.00 N ATOM 1356 C2 A B 215 -51.775 4.543 3.486 1.00 0.00 C ATOM 1357 N3 A B 215 -51.173 4.167 4.630 1.00 0.00 N ATOM 1358 C4 A B 215 -50.120 3.352 4.344 1.00 0.00 C ATOM 0 H5' A B 215 -48.699 -1.218 7.513 1.00 0.00 H new ATOM 0 H5'' A B 215 -48.796 -0.255 6.051 1.00 0.00 H new ATOM 0 H4' A B 215 -49.071 0.617 8.918 1.00 0.00 H new ATOM 0 H3' A B 215 -50.862 0.581 6.546 1.00 0.00 H new ATOM 0 H2' A B 215 -51.495 3.016 6.690 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.320 2.280 9.160 1.00 0.00 H new ATOM 0 H1' A B 215 -49.086 3.977 6.889 1.00 0.00 H new ATOM 0 H8 A B 215 -47.585 1.485 5.000 1.00 0.00 H new ATOM 0 H61 A B 215 -50.646 3.450 -0.057 1.00 0.00 H new ATOM 0 H62 A B 215 -49.294 2.467 0.514 1.00 0.00 H new ATOM 0 H2 A B 215 -52.628 5.195 3.602 1.00 0.00 H new ATOM 1370 P C B 216 -52.636 -0.392 8.127 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.586 -0.464 9.261 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.095 -1.668 7.608 1.00 0.00 O ATOM 1373 O5' C B 216 -53.365 0.364 6.920 1.00 0.00 O ATOM 1374 C5' C B 216 -54.021 1.609 7.150 1.00 0.00 C ATOM 1375 C4' C B 216 -54.726 2.066 5.893 1.00 0.00 C ATOM 1376 O4' C B 216 -54.415 2.682 5.032 1.00 0.00 O ATOM 1377 C3' C B 216 -55.776 1.089 5.368 1.00 0.00 C ATOM 1378 O3' C B 216 -57.068 1.499 5.812 1.00 0.00 O ATOM 1379 C2' C B 216 -55.662 1.151 3.870 1.00 0.00 C ATOM 1380 O2' C B 216 -56.960 1.537 3.477 1.00 0.00 O ATOM 1381 C1' C B 216 -54.584 2.219 3.711 1.00 0.00 C ATOM 1382 N1 C B 216 -53.314 1.697 3.162 1.00 0.00 N ATOM 1383 C2 C B 216 -53.116 1.793 1.785 1.00 0.00 C ATOM 1384 O2 C B 216 -54.003 2.306 1.094 1.00 0.00 O ATOM 1385 N3 C B 216 -51.969 1.325 1.261 1.00 0.00 N ATOM 1386 C4 C B 216 -51.034 0.781 2.013 1.00 0.00 C ATOM 1387 N4 C B 216 -49.908 0.326 1.478 1.00 0.00 N ATOM 1388 C5 C B 216 -51.214 0.670 3.443 1.00 0.00 C ATOM 1389 C6 C B 216 -52.362 1.141 3.950 1.00 0.00 C ATOM 0 H5' C B 216 -53.294 2.359 7.462 1.00 0.00 H new ATOM 0 H5'' C B 216 -54.740 1.505 7.962 1.00 0.00 H new ATOM 0 H4' C B 216 -54.862 2.926 6.549 1.00 0.00 H new ATOM 0 H3' C B 216 -55.626 0.071 5.727 1.00 0.00 H new ATOM 0 H2' C B 216 -55.388 0.270 3.290 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.354 2.110 4.167 1.00 0.00 H new ATOM 0 H1' C B 216 -54.874 2.991 2.998 1.00 0.00 H new ATOM 0 H41 C B 216 -49.193 -0.093 2.073 1.00 0.00 H new ATOM 0 H42 C B 216 -49.757 0.395 0.472 1.00 0.00 H new ATOM 0 H5 C B 216 -50.458 0.228 4.074 1.00 0.00 H new ATOM 0 H6 C B 216 -52.533 1.076 5.014 1.00 0.00 H new ATOM 1401 P G B 217 -58.239 0.420 5.967 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.542 1.113 6.081 1.00 0.00 O ATOM 1403 OP2 G B 217 -57.887 -0.550 7.027 1.00 0.00 O ATOM 1404 O5' G B 217 -58.209 -0.347 4.563 1.00 0.00 O ATOM 1405 C5' G B 217 -59.273 -0.170 3.630 1.00 0.00 C ATOM 1406 C4' G B 217 -59.082 -1.090 2.445 1.00 0.00 C ATOM 1407 O4' G B 217 -58.314 -1.044 1.575 1.00 0.00 O ATOM 1408 C3' G B 217 -59.318 -2.566 2.749 1.00 0.00 C ATOM 1409 O3' G B 217 -60.719 -2.832 2.754 1.00 0.00 O ATOM 1410 C2' G B 217 -58.618 -3.315 1.649 1.00 0.00 C ATOM 1411 O2' G B 217 -59.682 -3.691 0.804 1.00 0.00 O ATOM 1412 C1' G B 217 -57.701 -2.224 1.102 1.00 0.00 C ATOM 1413 N9 G B 217 -56.307 -2.330 1.581 1.00 0.00 N ATOM 1414 C8 G B 217 -55.834 -2.009 2.803 1.00 0.00 C ATOM 1415 N7 G B 217 -54.527 -2.220 2.919 1.00 0.00 N ATOM 1416 C5 G B 217 -54.163 -2.706 1.692 1.00 0.00 C ATOM 1417 C6 G B 217 -52.913 -3.117 1.182 1.00 0.00 C ATOM 1418 O6 G B 217 -51.853 -3.111 1.806 1.00 0.00 O ATOM 1419 N1 G B 217 -52.876 -3.559 -0.104 1.00 0.00 N ATOM 1420 C2 G B 217 -54.027 -3.577 -0.814 1.00 0.00 C ATOM 1421 N2 G B 217 -53.826 -4.033 -2.048 1.00 0.00 N ATOM 1422 N3 G B 217 -55.264 -3.210 -0.433 1.00 0.00 N ATOM 1423 C4 G B 217 -55.234 -2.781 0.859 1.00 0.00 C ATOM 0 H5' G B 217 -59.304 0.867 3.294 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.228 -0.378 4.112 1.00 0.00 H new ATOM 0 H4' G B 217 -59.837 -0.455 1.981 1.00 0.00 H new ATOM 0 H3' G B 217 -58.937 -2.864 3.726 1.00 0.00 H new ATOM 0 H2' G B 217 -58.032 -4.209 1.863 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.531 -3.398 1.196 1.00 0.00 H new ATOM 0 H1' G B 217 -57.603 -2.277 0.018 1.00 0.00 H new ATOM 0 H8 G B 217 -56.451 -1.622 3.601 1.00 0.00 H new ATOM 0 H1 G B 217 -52.000 -3.870 -0.523 1.00 0.00 H new ATOM 0 H21 G B 217 -54.608 -4.103 -2.700 1.00 0.00 H new ATOM 0 H22 G B 217 -52.890 -4.313 -2.342 1.00 0.00 H new ATOM 1435 P C B 218 -61.311 -3.992 3.683 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.743 -4.197 3.374 1.00 0.00 O ATOM 1437 OP2 C B 218 -60.948 -3.734 5.094 1.00 0.00 O ATOM 1438 O5' C B 218 -60.509 -5.287 3.196 1.00 0.00 O ATOM 1439 C5' C B 218 -60.920 -5.979 2.018 1.00 0.00 C ATOM 1440 C4' C B 218 -59.735 -6.664 1.377 1.00 0.00 C ATOM 1441 O4' C B 218 -58.661 -6.274 0.751 1.00 0.00 O ATOM 1442 C3' C B 218 -59.242 -7.901 2.121 1.00 0.00 C ATOM 1443 O3' C B 218 -60.297 -8.857 2.204 1.00 0.00 O ATOM 1444 C2' C B 218 -58.089 -8.422 1.308 1.00 0.00 C ATOM 1445 O2' C B 218 -58.725 -9.267 0.376 1.00 0.00 O ATOM 1446 C1' C B 218 -57.533 -7.119 0.738 1.00 0.00 C ATOM 1447 N1 C B 218 -56.429 -6.550 1.540 1.00 0.00 N ATOM 1448 C2 C B 218 -55.132 -6.691 1.051 1.00 0.00 C ATOM 1449 O2 C B 218 -54.966 -7.282 -0.023 1.00 0.00 O ATOM 1450 N3 C B 218 -54.111 -6.181 1.762 1.00 0.00 N ATOM 1451 C4 C B 218 -54.307 -5.554 2.905 1.00 0.00 C ATOM 1452 N4 C B 218 -53.286 -5.058 3.593 1.00 0.00 N ATOM 1453 C5 C B 218 -55.642 -5.394 3.435 1.00 0.00 C ATOM 1454 C6 C B 218 -56.649 -5.908 2.714 1.00 0.00 C ATOM 0 H5' C B 218 -61.370 -5.279 1.314 1.00 0.00 H new ATOM 0 H5'' C B 218 -61.684 -6.715 2.267 1.00 0.00 H new ATOM 0 H4' C B 218 -60.434 -6.552 0.548 1.00 0.00 H new ATOM 0 H3' C B 218 -58.930 -7.684 3.143 1.00 0.00 H new ATOM 0 H2' C B 218 -57.283 -8.989 1.774 1.00 0.00 H new ATOM 0 HO2' C B 218 -59.688 -9.287 0.556 1.00 0.00 H new ATOM 0 H1' C B 218 -57.088 -7.259 -0.247 1.00 0.00 H new ATOM 0 H41 C B 218 -53.453 -4.575 4.476 1.00 0.00 H new ATOM 0 H42 C B 218 -52.335 -5.160 3.239 1.00 0.00 H new ATOM 0 H5 C B 218 -55.821 -4.883 4.370 1.00 0.00 H new ATOM 0 H6 C B 218 -57.661 -5.808 3.078 1.00 0.00 H new ATOM 1466 P C B 219 -60.484 -9.729 3.533 1.00 0.00 P ATOM 1467 OP1 C B 219 -61.858 -10.277 3.581 1.00 0.00 O ATOM 1468 OP2 C B 219 -60.016 -8.957 4.705 1.00 0.00 O ATOM 1469 O5' C B 219 -59.472 -10.948 3.308 1.00 0.00 O ATOM 1470 C5' C B 219 -59.610 -11.786 2.162 1.00 0.00 C ATOM 1471 C4' C B 219 -58.274 -12.392 1.799 1.00 0.00 C ATOM 1472 O4' C B 219 -57.277 -11.522 1.398 1.00 0.00 O ATOM 1473 C3' C B 219 -57.532 -13.031 2.969 1.00 0.00 C ATOM 1474 O3' C B 219 -58.094 -14.323 3.241 1.00 0.00 O ATOM 1475 C2' C B 219 -56.099 -13.132 2.524 1.00 0.00 C ATOM 1476 O2' C B 219 -56.103 -14.300 1.734 1.00 0.00 O ATOM 1477 C1' C B 219 -55.947 -11.822 1.757 1.00 0.00 C ATOM 1478 N1 C B 219 -55.352 -10.734 2.561 1.00 0.00 N ATOM 1479 C2 C B 219 -54.017 -10.409 2.326 1.00 0.00 C ATOM 1480 O2 C B 219 -53.397 -11.041 1.464 1.00 0.00 O ATOM 1481 N3 C B 219 -53.454 -9.422 3.047 1.00 0.00 N ATOM 1482 C4 C B 219 -54.129 -8.758 3.962 1.00 0.00 C ATOM 1483 N4 C B 219 -53.556 -7.787 4.663 1.00 0.00 N ATOM 1484 C5 C B 219 -55.515 -9.075 4.225 1.00 0.00 C ATOM 1485 C6 C B 219 -56.062 -10.061 3.500 1.00 0.00 C ATOM 0 H5' C B 219 -59.996 -11.207 1.323 1.00 0.00 H new ATOM 0 H5'' C B 219 -60.334 -12.576 2.364 1.00 0.00 H new ATOM 0 H4' C B 219 -58.628 -13.061 1.014 1.00 0.00 H new ATOM 0 H3' C B 219 -57.611 -12.453 3.889 1.00 0.00 H new ATOM 0 H2' C B 219 -55.290 -13.224 3.249 1.00 0.00 H new ATOM 0 HO2' C B 219 -56.797 -14.911 2.058 1.00 0.00 H new ATOM 0 HO3' C B 219 -57.617 -14.736 3.991 1.00 0.00 H new ATOM 0 H1' C B 219 -55.264 -11.918 0.913 1.00 0.00 H new ATOM 0 H41 C B 219 -54.093 -7.282 5.368 1.00 0.00 H new ATOM 0 H42 C B 219 -52.579 -7.546 4.496 1.00 0.00 H new ATOM 0 H5 C B 219 -56.084 -8.541 4.972 1.00 0.00 H new ATOM 0 H6 C B 219 -57.095 -10.326 3.668 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.998 11.331 7.646 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -53.536 28.933 2.965 1.00 0.00 ZN