USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 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 Set 1.1: A 26 SER OG : rot -68:sc= 1.31 USER MOD Set 1.2: A 32 MET CE :methyl 135:sc= -0.179 (180deg=-1.47!) USER MOD Set 2.1: A 13 THR OG1 : rot -39:sc= 0.0958 USER MOD Set 2.2: A 16 GLN : amide:sc= -4.83! K(o=-10!,f=-5.9) USER MOD Set 2.3: A 60 CYS SG : rot -170:sc= -5.24! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.963! X(o=-0.96!,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -116:sc= -2.05! USER MOD Single : A 36 LYS NZ :NH3+ -138:sc= -0.321 (180deg=-1.49) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.117 K(o=0.12,f=-7.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-3.4!) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.838) USER MOD Single : A 65 SER OG : rot -53:sc= 0.922 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -1.02 (180deg=-1.03) USER MOD Single : A 74 ASN : amide:sc= 0.0592 X(o=0.059,f=0) USER MOD Single : A 77 THR OG1 : rot 83:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.889 -5.910 -6.201 1.00 0.00 N ATOM 130 CA THR A 13 -17.801 -6.661 -7.447 1.00 0.00 C ATOM 131 C THR A 13 -16.868 -7.858 -7.303 1.00 0.00 C ATOM 132 O THR A 13 -16.274 -8.072 -6.246 1.00 0.00 O ATOM 133 CB THR A 13 -17.305 -5.774 -8.604 1.00 0.00 C ATOM 134 OG1 THR A 13 -16.068 -5.148 -8.246 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.336 -4.710 -8.951 1.00 0.00 C ATOM 0 HA THR A 13 -18.807 -7.013 -7.675 1.00 0.00 H new ATOM 0 HB THR A 13 -17.152 -6.407 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.101 -4.873 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.963 -4.096 -9.771 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.267 -5.190 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.517 -4.081 -8.080 1.00 0.00 H new ATOM 143 N LYS A 14 -16.741 -8.636 -8.373 1.00 0.00 N ATOM 144 CA LYS A 14 -15.878 -9.811 -8.367 1.00 0.00 C ATOM 145 C LYS A 14 -14.428 -9.420 -8.098 1.00 0.00 C ATOM 146 O LYS A 14 -13.776 -9.986 -7.221 1.00 0.00 O ATOM 147 CB LYS A 14 -15.978 -10.549 -9.704 1.00 0.00 C ATOM 148 CG LYS A 14 -15.438 -11.968 -9.657 1.00 0.00 C ATOM 149 CD LYS A 14 -16.415 -12.914 -8.980 1.00 0.00 C ATOM 150 CE LYS A 14 -15.749 -14.230 -8.608 1.00 0.00 C ATOM 151 NZ LYS A 14 -15.420 -15.044 -9.811 1.00 0.00 N ATOM 0 H LYS A 14 -17.225 -8.474 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.212 -10.472 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.022 -10.576 -10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.433 -9.986 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.237 -12.315 -10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.489 -11.979 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.818 -12.443 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.257 -13.106 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.838 -14.029 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.409 -14.799 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.968 -15.933 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.293 -15.257 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.770 -14.511 -10.423 1.00 0.00 H new ATOM 165 N GLU A 15 -13.931 -8.447 -8.856 1.00 0.00 N ATOM 166 CA GLU A 15 -12.559 -7.981 -8.698 1.00 0.00 C ATOM 167 C GLU A 15 -12.207 -7.817 -7.222 1.00 0.00 C ATOM 168 O GLU A 15 -11.316 -8.492 -6.707 1.00 0.00 O ATOM 169 CB GLU A 15 -12.359 -6.654 -9.432 1.00 0.00 C ATOM 170 CG GLU A 15 -11.917 -6.817 -10.876 1.00 0.00 C ATOM 171 CD GLU A 15 -13.075 -7.101 -11.813 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.742 -6.136 -12.240 1.00 0.00 O ATOM 173 OE2 GLU A 15 -13.314 -8.288 -12.118 1.00 0.00 O ATOM 0 H GLU A 15 -14.458 -7.967 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.896 -8.730 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.292 -6.091 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.616 -6.062 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.406 -5.910 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.194 -7.630 -10.941 1.00 0.00 H new ATOM 180 N GLN A 16 -12.914 -6.915 -6.549 1.00 0.00 N ATOM 181 CA GLN A 16 -12.676 -6.660 -5.133 1.00 0.00 C ATOM 182 C GLN A 16 -12.530 -7.968 -4.362 1.00 0.00 C ATOM 183 O GLN A 16 -11.493 -8.229 -3.754 1.00 0.00 O ATOM 184 CB GLN A 16 -13.818 -5.831 -4.543 1.00 0.00 C ATOM 185 CG GLN A 16 -14.046 -4.512 -5.262 1.00 0.00 C ATOM 186 CD GLN A 16 -15.231 -3.743 -4.710 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.377 -3.996 -5.083 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.960 -2.799 -3.817 1.00 0.00 N ATOM 0 H GLN A 16 -13.656 -6.349 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.746 -6.100 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.736 -6.417 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.606 -5.631 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.149 -3.898 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.205 -4.704 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.995 -2.624 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.717 -2.249 -3.411 1.00 0.00 H new ATOM 197 N ALA A 17 -13.577 -8.786 -4.391 1.00 0.00 N ATOM 198 CA ALA A 17 -13.565 -10.067 -3.696 1.00 0.00 C ATOM 199 C ALA A 17 -12.280 -10.837 -3.985 1.00 0.00 C ATOM 200 O ALA A 17 -11.550 -11.212 -3.068 1.00 0.00 O ATOM 201 CB ALA A 17 -14.779 -10.895 -4.093 1.00 0.00 C ATOM 0 H ALA A 17 -14.444 -8.584 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.607 -9.871 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.757 -11.849 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.689 -10.356 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.762 -11.074 -5.168 1.00 0.00 H new ATOM 207 N ASP A 18 -12.011 -11.069 -5.265 1.00 0.00 N ATOM 208 CA ASP A 18 -10.813 -11.793 -5.675 1.00 0.00 C ATOM 209 C ASP A 18 -9.584 -11.275 -4.935 1.00 0.00 C ATOM 210 O ASP A 18 -8.698 -12.046 -4.568 1.00 0.00 O ATOM 211 CB ASP A 18 -10.606 -11.665 -7.185 1.00 0.00 C ATOM 212 CG ASP A 18 -11.266 -12.791 -7.957 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.508 -12.905 -7.894 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.540 -13.556 -8.626 1.00 0.00 O ATOM 0 H ASP A 18 -12.606 -10.766 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.950 -12.844 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.009 -10.711 -7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.538 -11.656 -7.403 1.00 0.00 H new ATOM 219 N ALA A 19 -9.539 -9.964 -4.719 1.00 0.00 N ATOM 220 CA ALA A 19 -8.419 -9.343 -4.022 1.00 0.00 C ATOM 221 C ALA A 19 -8.316 -9.851 -2.588 1.00 0.00 C ATOM 222 O ALA A 19 -7.264 -10.330 -2.163 1.00 0.00 O ATOM 223 CB ALA A 19 -8.562 -7.829 -4.039 1.00 0.00 C ATOM 0 H ALA A 19 -10.265 -9.312 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.501 -9.616 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.719 -7.378 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.579 -7.477 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.491 -7.546 -3.544 1.00 0.00 H new ATOM 229 N ILE A 20 -9.413 -9.742 -1.846 1.00 0.00 N ATOM 230 CA ILE A 20 -9.445 -10.190 -0.460 1.00 0.00 C ATOM 231 C ILE A 20 -8.881 -11.600 -0.325 1.00 0.00 C ATOM 232 O ILE A 20 -7.982 -11.846 0.479 1.00 0.00 O ATOM 233 CB ILE A 20 -10.877 -10.166 0.107 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.361 -8.723 0.268 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.933 -10.900 1.438 1.00 0.00 C ATOM 236 CD1 ILE A 20 -12.059 -8.179 -0.959 1.00 0.00 C ATOM 0 H ILE A 20 -10.291 -9.347 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.826 -9.497 0.110 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.538 -10.676 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.042 -8.670 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.508 -8.086 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.952 -10.874 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.625 -11.936 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.262 -10.417 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.375 -7.152 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.374 -8.200 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.932 -8.792 -1.183 1.00 0.00 H new ATOM 248 N ARG A 21 -9.415 -12.523 -1.118 1.00 0.00 N ATOM 249 CA ARG A 21 -8.964 -13.910 -1.088 1.00 0.00 C ATOM 250 C ARG A 21 -7.452 -13.994 -1.274 1.00 0.00 C ATOM 251 O ARG A 21 -6.751 -14.606 -0.468 1.00 0.00 O ATOM 252 CB ARG A 21 -9.669 -14.721 -2.177 1.00 0.00 C ATOM 253 CG ARG A 21 -11.155 -14.425 -2.292 1.00 0.00 C ATOM 254 CD ARG A 21 -11.918 -15.615 -2.852 1.00 0.00 C ATOM 255 NE ARG A 21 -12.224 -16.604 -1.822 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.467 -17.668 -1.577 1.00 0.00 C ATOM 257 NH1 ARG A 21 -10.366 -17.879 -2.285 1.00 0.00 N ATOM 258 NH2 ARG A 21 -11.811 -18.522 -0.622 1.00 0.00 N ATOM 0 H ARG A 21 -10.160 -12.336 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.216 -14.327 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.192 -14.518 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.534 -15.783 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.552 -14.166 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.306 -13.559 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.845 -15.269 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.330 -16.084 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.065 -16.471 -1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.099 -17.224 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.786 -18.697 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.657 -18.362 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.229 -19.339 -0.434 1.00 0.00 H new ATOM 272 N ARG A 22 -6.957 -13.376 -2.342 1.00 0.00 N ATOM 273 CA ARG A 22 -5.529 -13.383 -2.634 1.00 0.00 C ATOM 274 C ARG A 22 -4.728 -12.859 -1.446 1.00 0.00 C ATOM 275 O ARG A 22 -3.700 -13.428 -1.078 1.00 0.00 O ATOM 276 CB ARG A 22 -5.236 -12.535 -3.874 1.00 0.00 C ATOM 277 CG ARG A 22 -5.440 -13.280 -5.183 1.00 0.00 C ATOM 278 CD ARG A 22 -4.841 -12.520 -6.355 1.00 0.00 C ATOM 279 NE ARG A 22 -4.804 -13.329 -7.571 1.00 0.00 N ATOM 280 CZ ARG A 22 -3.828 -14.184 -7.855 1.00 0.00 C ATOM 281 NH1 ARG A 22 -2.814 -14.341 -7.015 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.865 -14.885 -8.981 1.00 0.00 N ATOM 0 H ARG A 22 -7.524 -12.865 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.229 -14.413 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.879 -11.655 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.207 -12.178 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.983 -14.267 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.506 -13.433 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.424 -11.617 -6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.830 -12.201 -6.101 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.569 -13.232 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.782 -13.804 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.066 -14.998 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.643 -14.768 -9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.115 -15.541 -9.198 1.00 0.00 H new ATOM 296 N ILE A 23 -5.205 -11.771 -0.851 1.00 0.00 N ATOM 297 CA ILE A 23 -4.534 -11.171 0.295 1.00 0.00 C ATOM 298 C ILE A 23 -4.457 -12.150 1.462 1.00 0.00 C ATOM 299 O ILE A 23 -3.369 -12.492 1.926 1.00 0.00 O ATOM 300 CB ILE A 23 -5.253 -9.891 0.762 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.182 -8.815 -0.324 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.641 -9.382 2.059 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.891 -7.532 0.048 1.00 0.00 C ATOM 0 H ILE A 23 -6.054 -11.287 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.525 -10.915 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.301 -10.128 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.136 -8.594 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.618 -9.208 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.160 -8.477 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.738 -10.145 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.586 -9.158 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.799 -6.816 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.945 -7.739 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.440 -7.115 0.949 1.00 0.00 H new ATOM 315 N ARG A 24 -5.617 -12.598 1.929 1.00 0.00 N ATOM 316 CA ARG A 24 -5.681 -13.540 3.041 1.00 0.00 C ATOM 317 C ARG A 24 -5.017 -14.863 2.671 1.00 0.00 C ATOM 318 O ARG A 24 -4.556 -15.601 3.541 1.00 0.00 O ATOM 319 CB ARG A 24 -7.135 -13.782 3.449 1.00 0.00 C ATOM 320 CG ARG A 24 -7.975 -14.421 2.355 1.00 0.00 C ATOM 321 CD ARG A 24 -9.461 -14.212 2.601 1.00 0.00 C ATOM 322 NE ARG A 24 -10.266 -15.301 2.054 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.592 -15.335 2.110 1.00 0.00 C ATOM 324 NH1 ARG A 24 -12.260 -14.345 2.686 1.00 0.00 N ATOM 325 NH2 ARG A 24 -12.254 -16.361 1.590 1.00 0.00 N ATOM 0 H ARG A 24 -6.526 -12.324 1.555 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.142 -13.107 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.155 -14.422 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.587 -12.832 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.701 -13.996 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.760 -15.488 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.643 -14.130 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.774 -13.269 2.152 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.783 -16.078 1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.755 -13.555 3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.279 -14.374 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.744 -17.125 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.273 -16.386 1.634 1.00 0.00 H new ATOM 339 N ASN A 25 -4.973 -15.156 1.376 1.00 0.00 N ATOM 340 CA ASN A 25 -4.367 -16.391 0.891 1.00 0.00 C ATOM 341 C ASN A 25 -2.983 -16.125 0.307 1.00 0.00 C ATOM 342 O ASN A 25 -2.445 -16.943 -0.439 1.00 0.00 O ATOM 343 CB ASN A 25 -5.262 -17.043 -0.164 1.00 0.00 C ATOM 344 CG ASN A 25 -6.577 -17.529 0.413 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.606 -18.453 1.228 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.674 -16.909 -0.007 1.00 0.00 N ATOM 0 H ASN A 25 -5.350 -14.555 0.643 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.260 -17.070 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.461 -16.326 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.734 -17.883 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.588 -17.193 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.603 -16.149 -0.683 1.00 0.00 H new ATOM 353 N SER A 26 -2.412 -14.975 0.651 1.00 0.00 N ATOM 354 CA SER A 26 -1.093 -14.599 0.158 1.00 0.00 C ATOM 355 C SER A 26 0.005 -15.199 1.031 1.00 0.00 C ATOM 356 O SER A 26 -0.255 -15.673 2.138 1.00 0.00 O ATOM 357 CB SER A 26 -0.954 -13.075 0.121 1.00 0.00 C ATOM 358 OG SER A 26 -0.801 -12.545 1.426 1.00 0.00 O ATOM 0 H SER A 26 -2.843 -14.288 1.269 1.00 0.00 H new ATOM 0 HA SER A 26 -0.985 -14.992 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.094 -12.800 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.834 -12.638 -0.352 1.00 0.00 H new ATOM 0 HG SER A 26 -1.634 -12.666 1.928 1.00 0.00 H new ATOM 364 N LYS A 27 1.233 -15.176 0.525 1.00 0.00 N ATOM 365 CA LYS A 27 2.373 -15.717 1.257 1.00 0.00 C ATOM 366 C LYS A 27 3.398 -14.626 1.551 1.00 0.00 C ATOM 367 O LYS A 27 4.380 -14.857 2.257 1.00 0.00 O ATOM 368 CB LYS A 27 3.029 -16.846 0.459 1.00 0.00 C ATOM 369 CG LYS A 27 2.039 -17.693 -0.322 1.00 0.00 C ATOM 370 CD LYS A 27 1.842 -17.161 -1.732 1.00 0.00 C ATOM 371 CE LYS A 27 0.805 -17.973 -2.493 1.00 0.00 C ATOM 372 NZ LYS A 27 0.597 -17.453 -3.873 1.00 0.00 N ATOM 0 H LYS A 27 1.465 -14.788 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 27 2.009 -16.114 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.753 -16.417 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.584 -17.488 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.395 -18.722 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.082 -17.709 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.529 -16.118 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.791 -17.187 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.123 -19.014 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.141 -17.954 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.117 -18.033 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.269 -16.467 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.493 -17.495 -4.399 1.00 0.00 H new ATOM 386 N ASP A 28 3.162 -13.437 1.007 1.00 0.00 N ATOM 387 CA ASP A 28 4.064 -12.310 1.214 1.00 0.00 C ATOM 388 C ASP A 28 3.402 -11.001 0.794 1.00 0.00 C ATOM 389 O ASP A 28 2.365 -11.003 0.131 1.00 0.00 O ATOM 390 CB ASP A 28 5.360 -12.515 0.428 1.00 0.00 C ATOM 391 CG ASP A 28 6.219 -13.621 1.008 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.912 -13.368 2.016 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.198 -14.740 0.456 1.00 0.00 O ATOM 0 H ASP A 28 2.354 -13.229 0.420 1.00 0.00 H new ATOM 0 HA ASP A 28 4.298 -12.254 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.120 -12.751 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.928 -11.584 0.419 1.00 0.00 H new ATOM 398 N SER A 29 4.008 -9.885 1.185 1.00 0.00 N ATOM 399 CA SER A 29 3.475 -8.569 0.853 1.00 0.00 C ATOM 400 C SER A 29 3.477 -8.346 -0.656 1.00 0.00 C ATOM 401 O SER A 29 2.556 -7.743 -1.207 1.00 0.00 O ATOM 402 CB SER A 29 4.294 -7.475 1.543 1.00 0.00 C ATOM 403 OG SER A 29 5.683 -7.692 1.368 1.00 0.00 O ATOM 0 H SER A 29 4.869 -9.866 1.732 1.00 0.00 H new ATOM 0 HA SER A 29 2.445 -8.521 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.021 -6.501 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.057 -7.455 2.607 1.00 0.00 H new ATOM 0 HG SER A 29 6.100 -7.858 2.239 1.00 0.00 H new ATOM 409 N TRP A 30 4.519 -8.837 -1.318 1.00 0.00 N ATOM 410 CA TRP A 30 4.642 -8.692 -2.764 1.00 0.00 C ATOM 411 C TRP A 30 3.364 -9.137 -3.467 1.00 0.00 C ATOM 412 O TRP A 30 2.923 -8.510 -4.430 1.00 0.00 O ATOM 413 CB TRP A 30 5.831 -9.505 -3.279 1.00 0.00 C ATOM 414 CG TRP A 30 7.066 -9.344 -2.445 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.791 -10.340 -1.855 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.718 -8.116 -2.107 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.855 -9.804 -1.170 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.833 -8.441 -1.310 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.470 -6.772 -2.401 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.695 -7.472 -0.804 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.326 -5.811 -1.898 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.428 -6.164 -1.108 1.00 0.00 C ATOM 0 H TRP A 30 5.290 -9.338 -0.877 1.00 0.00 H new ATOM 0 HA TRP A 30 4.808 -7.638 -2.985 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.556 -10.559 -3.308 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.051 -9.204 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.562 -11.394 -1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.549 -10.335 -0.643 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.624 -6.490 -3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.544 -7.742 -0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.142 -4.770 -2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.080 -5.389 -0.732 1.00 0.00 H new ATOM 433 N ASP A 31 2.774 -10.223 -2.979 1.00 0.00 N ATOM 434 CA ASP A 31 1.545 -10.751 -3.561 1.00 0.00 C ATOM 435 C ASP A 31 0.380 -9.794 -3.330 1.00 0.00 C ATOM 436 O ASP A 31 -0.372 -9.483 -4.253 1.00 0.00 O ATOM 437 CB ASP A 31 1.221 -12.122 -2.963 1.00 0.00 C ATOM 438 CG ASP A 31 0.517 -13.032 -3.951 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.713 -12.890 -4.115 1.00 0.00 O ATOM 440 OD2 ASP A 31 1.196 -13.886 -4.559 1.00 0.00 O ATOM 0 H ASP A 31 3.126 -10.754 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 31 1.697 -10.858 -4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.144 -12.597 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.593 -11.992 -2.082 1.00 0.00 H new ATOM 445 N MET A 32 0.236 -9.332 -2.092 1.00 0.00 N ATOM 446 CA MET A 32 -0.838 -8.410 -1.741 1.00 0.00 C ATOM 447 C MET A 32 -0.807 -7.173 -2.634 1.00 0.00 C ATOM 448 O MET A 32 -1.719 -6.946 -3.430 1.00 0.00 O ATOM 449 CB MET A 32 -0.723 -7.996 -0.273 1.00 0.00 C ATOM 450 CG MET A 32 -1.321 -9.007 0.692 1.00 0.00 C ATOM 451 SD MET A 32 -0.930 -8.640 2.414 1.00 0.00 S ATOM 452 CE MET A 32 0.354 -9.846 2.734 1.00 0.00 C ATOM 0 H MET A 32 0.849 -9.581 -1.316 1.00 0.00 H new ATOM 0 HA MET A 32 -1.788 -8.923 -1.894 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.329 -7.849 -0.027 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.220 -7.036 -0.135 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.403 -9.028 0.566 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.952 -10.002 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.178 -9.368 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.050 -10.654 3.343 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.717 -10.250 1.789 1.00 0.00 H new ATOM 462 N LEU A 33 0.248 -6.376 -2.497 1.00 0.00 N ATOM 463 CA LEU A 33 0.397 -5.162 -3.291 1.00 0.00 C ATOM 464 C LEU A 33 0.524 -5.494 -4.775 1.00 0.00 C ATOM 465 O LEU A 33 0.135 -4.704 -5.634 1.00 0.00 O ATOM 466 CB LEU A 33 1.623 -4.373 -2.827 1.00 0.00 C ATOM 467 CG LEU A 33 1.709 -4.088 -1.327 1.00 0.00 C ATOM 468 CD1 LEU A 33 3.022 -3.399 -0.989 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.528 -3.239 -0.878 1.00 0.00 C ATOM 0 H LEU A 33 1.012 -6.549 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.495 -4.552 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.517 -4.921 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.641 -3.422 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 33 1.673 -5.038 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.065 -3.204 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.854 -4.042 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.089 -2.456 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.605 -3.046 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.533 -2.293 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.401 -3.770 -1.085 1.00 0.00 H new ATOM 481 N GLY A 34 1.070 -6.671 -5.068 1.00 0.00 N ATOM 482 CA GLY A 34 1.236 -7.088 -6.448 1.00 0.00 C ATOM 483 C GLY A 34 2.460 -6.472 -7.097 1.00 0.00 C ATOM 484 O GLY A 34 2.447 -6.150 -8.285 1.00 0.00 O ATOM 0 H GLY A 34 1.400 -7.342 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.315 -8.174 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.349 -6.811 -7.017 1.00 0.00 H new ATOM 488 N VAL A 35 3.522 -6.305 -6.314 1.00 0.00 N ATOM 489 CA VAL A 35 4.760 -5.723 -6.819 1.00 0.00 C ATOM 490 C VAL A 35 5.945 -6.647 -6.565 1.00 0.00 C ATOM 491 O VAL A 35 5.839 -7.622 -5.820 1.00 0.00 O ATOM 492 CB VAL A 35 5.042 -4.355 -6.170 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.998 -3.335 -6.601 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.082 -4.482 -4.655 1.00 0.00 C ATOM 0 H VAL A 35 3.549 -6.565 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 35 4.632 -5.588 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 35 6.018 -4.006 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.213 -2.374 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.023 -3.224 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.009 -3.675 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.282 -3.506 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.122 -4.853 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.870 -5.178 -4.369 1.00 0.00 H new ATOM 504 N LYS A 36 7.076 -6.335 -7.188 1.00 0.00 N ATOM 505 CA LYS A 36 8.284 -7.136 -7.029 1.00 0.00 C ATOM 506 C LYS A 36 8.991 -6.800 -5.720 1.00 0.00 C ATOM 507 O LYS A 36 8.870 -5.697 -5.186 1.00 0.00 O ATOM 508 CB LYS A 36 9.233 -6.904 -8.207 1.00 0.00 C ATOM 509 CG LYS A 36 8.533 -6.869 -9.555 1.00 0.00 C ATOM 510 CD LYS A 36 9.301 -6.029 -10.561 1.00 0.00 C ATOM 511 CE LYS A 36 10.638 -6.664 -10.912 1.00 0.00 C ATOM 512 NZ LYS A 36 11.695 -6.315 -9.922 1.00 0.00 N ATOM 0 H LYS A 36 7.181 -5.532 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 36 7.993 -8.186 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.761 -5.963 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.985 -7.693 -8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.424 -7.885 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.528 -6.464 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.706 -5.908 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.466 -5.032 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.525 -7.747 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.947 -6.335 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.582 -6.101 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.397 -5.483 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.846 -7.117 -9.278 1.00 0.00 H new ATOM 526 N PRO A 37 9.749 -7.771 -5.189 1.00 0.00 N ATOM 527 CA PRO A 37 10.491 -7.601 -3.937 1.00 0.00 C ATOM 528 C PRO A 37 11.662 -6.635 -4.084 1.00 0.00 C ATOM 529 O PRO A 37 12.206 -6.148 -3.094 1.00 0.00 O ATOM 530 CB PRO A 37 10.999 -9.013 -3.631 1.00 0.00 C ATOM 531 CG PRO A 37 11.064 -9.688 -4.958 1.00 0.00 C ATOM 532 CD PRO A 37 9.939 -9.111 -5.771 1.00 0.00 C ATOM 0 HA PRO A 37 9.869 -7.177 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.978 -8.986 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.326 -9.537 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.025 -9.510 -5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.956 -10.767 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.195 -9.057 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.035 -9.715 -5.692 1.00 0.00 H new ATOM 540 N GLY A 38 12.044 -6.360 -5.327 1.00 0.00 N ATOM 541 CA GLY A 38 13.147 -5.452 -5.581 1.00 0.00 C ATOM 542 C GLY A 38 12.679 -4.074 -6.005 1.00 0.00 C ATOM 543 O GLY A 38 13.490 -3.173 -6.216 1.00 0.00 O ATOM 0 H GLY A 38 11.609 -6.750 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.756 -5.364 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.786 -5.870 -6.359 1.00 0.00 H new ATOM 547 N ALA A 39 11.366 -3.911 -6.134 1.00 0.00 N ATOM 548 CA ALA A 39 10.791 -2.634 -6.536 1.00 0.00 C ATOM 549 C ALA A 39 11.227 -1.515 -5.596 1.00 0.00 C ATOM 550 O ALA A 39 11.943 -1.752 -4.623 1.00 0.00 O ATOM 551 CB ALA A 39 9.273 -2.728 -6.579 1.00 0.00 C ATOM 0 H ALA A 39 10.681 -4.648 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 39 11.158 -2.398 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.857 -1.767 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.976 -3.493 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.897 -2.992 -5.591 1.00 0.00 H new ATOM 557 N SER A 40 10.792 -0.295 -5.894 1.00 0.00 N ATOM 558 CA SER A 40 11.142 0.862 -5.078 1.00 0.00 C ATOM 559 C SER A 40 9.917 1.400 -4.344 1.00 0.00 C ATOM 560 O SER A 40 8.789 0.981 -4.607 1.00 0.00 O ATOM 561 CB SER A 40 11.752 1.962 -5.949 1.00 0.00 C ATOM 562 OG SER A 40 12.802 2.627 -5.269 1.00 0.00 O ATOM 0 H SER A 40 10.197 -0.082 -6.694 1.00 0.00 H new ATOM 0 HA SER A 40 11.877 0.544 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.131 1.529 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.981 2.681 -6.226 1.00 0.00 H new ATOM 0 HG SER A 40 13.176 3.324 -5.847 1.00 0.00 H new ATOM 568 N ARG A 41 10.147 2.330 -3.424 1.00 0.00 N ATOM 569 CA ARG A 41 9.063 2.925 -2.651 1.00 0.00 C ATOM 570 C ARG A 41 7.960 3.442 -3.570 1.00 0.00 C ATOM 571 O ARG A 41 6.779 3.177 -3.347 1.00 0.00 O ATOM 572 CB ARG A 41 9.595 4.067 -1.783 1.00 0.00 C ATOM 573 CG ARG A 41 8.502 4.870 -1.097 1.00 0.00 C ATOM 574 CD ARG A 41 9.070 5.769 -0.009 1.00 0.00 C ATOM 575 NE ARG A 41 9.464 5.011 1.175 1.00 0.00 N ATOM 576 CZ ARG A 41 9.370 5.482 2.414 1.00 0.00 C ATOM 577 NH1 ARG A 41 8.896 6.701 2.629 1.00 0.00 N ATOM 578 NH2 ARG A 41 9.749 4.732 3.441 1.00 0.00 N ATOM 0 H ARG A 41 11.074 2.688 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 41 8.643 2.153 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.262 3.656 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.191 4.736 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.977 5.477 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.768 4.191 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.933 6.308 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.326 6.516 0.269 1.00 0.00 H new ATOM 0 HE ARG A 41 9.831 4.069 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.602 7.280 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.825 7.060 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.113 3.793 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.676 5.095 4.392 1.00 0.00 H new ATOM 592 N ASP A 42 8.354 4.180 -4.601 1.00 0.00 N ATOM 593 CA ASP A 42 7.399 4.734 -5.554 1.00 0.00 C ATOM 594 C ASP A 42 6.477 3.645 -6.094 1.00 0.00 C ATOM 595 O ASP A 42 5.276 3.861 -6.255 1.00 0.00 O ATOM 596 CB ASP A 42 8.135 5.414 -6.710 1.00 0.00 C ATOM 597 CG ASP A 42 8.456 6.867 -6.416 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.363 7.121 -5.596 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.800 7.750 -7.007 1.00 0.00 O ATOM 0 H ASP A 42 9.328 4.409 -4.799 1.00 0.00 H new ATOM 0 HA ASP A 42 6.792 5.475 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.060 4.875 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.524 5.355 -7.611 1.00 0.00 H new ATOM 604 N GLU A 43 7.047 2.477 -6.371 1.00 0.00 N ATOM 605 CA GLU A 43 6.275 1.356 -6.894 1.00 0.00 C ATOM 606 C GLU A 43 5.320 0.811 -5.835 1.00 0.00 C ATOM 607 O GLU A 43 4.120 0.678 -6.075 1.00 0.00 O ATOM 608 CB GLU A 43 7.210 0.244 -7.374 1.00 0.00 C ATOM 609 CG GLU A 43 7.944 0.579 -8.661 1.00 0.00 C ATOM 610 CD GLU A 43 9.213 -0.232 -8.837 1.00 0.00 C ATOM 611 OE1 GLU A 43 9.116 -1.396 -9.281 1.00 0.00 O ATOM 612 OE2 GLU A 43 10.303 0.295 -8.531 1.00 0.00 O ATOM 0 H GLU A 43 8.040 2.282 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 43 5.687 1.716 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.941 0.033 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.631 -0.667 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.283 0.401 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.192 1.640 -8.668 1.00 0.00 H new ATOM 619 N VAL A 44 5.863 0.498 -4.663 1.00 0.00 N ATOM 620 CA VAL A 44 5.061 -0.031 -3.567 1.00 0.00 C ATOM 621 C VAL A 44 3.878 0.880 -3.261 1.00 0.00 C ATOM 622 O VAL A 44 2.781 0.411 -2.959 1.00 0.00 O ATOM 623 CB VAL A 44 5.903 -0.207 -2.289 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.049 -0.763 -1.159 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.097 -1.109 -2.559 1.00 0.00 C ATOM 0 H VAL A 44 6.855 0.602 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 44 4.692 -1.005 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 44 6.276 0.770 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.661 -0.881 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.229 -0.075 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.644 -1.732 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.681 -1.223 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.747 -2.087 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.720 -0.665 -3.335 1.00 0.00 H new ATOM 635 N ASN A 45 4.108 2.187 -3.342 1.00 0.00 N ATOM 636 CA ASN A 45 3.061 3.166 -3.074 1.00 0.00 C ATOM 637 C ASN A 45 2.074 3.238 -4.235 1.00 0.00 C ATOM 638 O ASN A 45 0.860 3.283 -4.031 1.00 0.00 O ATOM 639 CB ASN A 45 3.675 4.545 -2.825 1.00 0.00 C ATOM 640 CG ASN A 45 4.592 4.561 -1.617 1.00 0.00 C ATOM 641 OD1 ASN A 45 4.611 3.617 -0.827 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.357 5.636 -1.470 1.00 0.00 N ATOM 0 H ASN A 45 5.010 2.592 -3.591 1.00 0.00 H new ATOM 0 HA ASN A 45 2.522 2.850 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.235 4.855 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.878 5.274 -2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.995 5.704 -0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.307 6.394 -2.150 1.00 0.00 H new ATOM 649 N LYS A 46 2.602 3.249 -5.454 1.00 0.00 N ATOM 650 CA LYS A 46 1.769 3.313 -6.649 1.00 0.00 C ATOM 651 C LYS A 46 0.816 2.124 -6.712 1.00 0.00 C ATOM 652 O LYS A 46 -0.379 2.287 -6.958 1.00 0.00 O ATOM 653 CB LYS A 46 2.644 3.347 -7.904 1.00 0.00 C ATOM 654 CG LYS A 46 1.931 3.896 -9.128 1.00 0.00 C ATOM 655 CD LYS A 46 1.747 5.402 -9.037 1.00 0.00 C ATOM 656 CE LYS A 46 0.555 5.868 -9.858 1.00 0.00 C ATOM 657 NZ LYS A 46 0.670 7.303 -10.238 1.00 0.00 N ATOM 0 H LYS A 46 3.604 3.214 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 46 1.178 4.227 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.527 3.955 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.994 2.338 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.503 3.652 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.958 3.415 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.608 5.690 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.650 5.902 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.474 5.259 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.361 5.716 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.162 7.582 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.722 7.887 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.531 7.444 -10.805 1.00 0.00 H new ATOM 671 N ALA A 47 1.352 0.929 -6.488 1.00 0.00 N ATOM 672 CA ALA A 47 0.548 -0.286 -6.516 1.00 0.00 C ATOM 673 C ALA A 47 -0.386 -0.355 -5.312 1.00 0.00 C ATOM 674 O ALA A 47 -1.557 -0.712 -5.443 1.00 0.00 O ATOM 675 CB ALA A 47 1.447 -1.513 -6.560 1.00 0.00 C ATOM 0 H ALA A 47 2.340 0.776 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.065 -0.265 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.833 -2.413 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.068 -1.477 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.085 -1.529 -5.676 1.00 0.00 H new ATOM 681 N TYR A 48 0.140 -0.013 -4.142 1.00 0.00 N ATOM 682 CA TYR A 48 -0.646 -0.039 -2.914 1.00 0.00 C ATOM 683 C TYR A 48 -1.903 0.815 -3.053 1.00 0.00 C ATOM 684 O TYR A 48 -2.966 0.462 -2.544 1.00 0.00 O ATOM 685 CB TYR A 48 0.193 0.457 -1.735 1.00 0.00 C ATOM 686 CG TYR A 48 -0.622 1.118 -0.647 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.192 2.370 -0.841 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.823 0.489 0.576 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.937 2.978 0.151 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.568 1.089 1.573 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.122 2.333 1.356 1.00 0.00 C ATOM 692 OH TYR A 48 -2.865 2.934 2.346 1.00 0.00 O ATOM 0 H TYR A 48 1.107 0.286 -4.017 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.948 -1.070 -2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.738 -0.385 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.936 1.165 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.050 2.877 -1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.390 -0.485 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.372 3.952 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.716 0.586 2.517 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.900 2.348 3.130 1.00 0.00 H new ATOM 702 N ARG A 49 -1.771 1.941 -3.747 1.00 0.00 N ATOM 703 CA ARG A 49 -2.895 2.846 -3.954 1.00 0.00 C ATOM 704 C ARG A 49 -4.000 2.167 -4.758 1.00 0.00 C ATOM 705 O ARG A 49 -5.099 1.939 -4.254 1.00 0.00 O ATOM 706 CB ARG A 49 -2.430 4.113 -4.674 1.00 0.00 C ATOM 707 CG ARG A 49 -1.808 5.146 -3.749 1.00 0.00 C ATOM 708 CD ARG A 49 -1.443 6.418 -4.499 1.00 0.00 C ATOM 709 NE ARG A 49 -2.622 7.105 -5.019 1.00 0.00 N ATOM 710 CZ ARG A 49 -2.593 7.931 -6.059 1.00 0.00 C ATOM 711 NH1 ARG A 49 -1.451 8.170 -6.687 1.00 0.00 N ATOM 712 NH2 ARG A 49 -3.709 8.518 -6.472 1.00 0.00 N ATOM 0 H ARG A 49 -0.898 2.248 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.296 3.117 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.704 3.840 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.281 4.562 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.505 5.383 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.916 4.728 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.898 7.087 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.773 6.173 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.517 6.942 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.592 7.719 -6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.431 8.805 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.590 8.335 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.686 9.152 -7.271 1.00 0.00 H new ATOM 726 N LYS A 50 -3.700 1.847 -6.012 1.00 0.00 N ATOM 727 CA LYS A 50 -4.666 1.193 -6.887 1.00 0.00 C ATOM 728 C LYS A 50 -5.443 0.119 -6.133 1.00 0.00 C ATOM 729 O LYS A 50 -6.659 -0.006 -6.288 1.00 0.00 O ATOM 730 CB LYS A 50 -3.955 0.572 -8.092 1.00 0.00 C ATOM 731 CG LYS A 50 -3.282 1.592 -8.993 1.00 0.00 C ATOM 732 CD LYS A 50 -2.231 0.945 -9.880 1.00 0.00 C ATOM 733 CE LYS A 50 -1.303 1.983 -10.492 1.00 0.00 C ATOM 734 NZ LYS A 50 -0.643 1.478 -11.728 1.00 0.00 N ATOM 0 H LYS A 50 -2.795 2.030 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.370 1.947 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.206 -0.136 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.678 0.004 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.032 2.081 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.818 2.367 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.648 0.234 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.721 0.380 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.870 2.884 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.543 2.265 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.019 2.215 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.081 0.633 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.367 1.233 -12.433 1.00 0.00 H new ATOM 748 N LEU A 51 -4.736 -0.653 -5.315 1.00 0.00 N ATOM 749 CA LEU A 51 -5.360 -1.716 -4.535 1.00 0.00 C ATOM 750 C LEU A 51 -6.287 -1.137 -3.471 1.00 0.00 C ATOM 751 O LEU A 51 -7.471 -1.468 -3.418 1.00 0.00 O ATOM 752 CB LEU A 51 -4.290 -2.588 -3.877 1.00 0.00 C ATOM 753 CG LEU A 51 -4.645 -4.065 -3.698 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.068 -4.677 -5.025 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.468 -4.828 -3.108 1.00 0.00 C ATOM 0 H LEU A 51 -3.730 -0.563 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.953 -2.330 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.380 -2.523 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.060 -2.169 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.483 -4.136 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.317 -5.728 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.940 -4.148 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.250 -4.594 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.738 -5.877 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.611 -4.749 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.211 -4.406 -2.137 1.00 0.00 H new ATOM 767 N ALA A 52 -5.740 -0.270 -2.625 1.00 0.00 N ATOM 768 CA ALA A 52 -6.518 0.357 -1.565 1.00 0.00 C ATOM 769 C ALA A 52 -7.873 0.827 -2.083 1.00 0.00 C ATOM 770 O ALA A 52 -8.900 0.628 -1.434 1.00 0.00 O ATOM 771 CB ALA A 52 -5.747 1.523 -0.964 1.00 0.00 C ATOM 0 H ALA A 52 -4.761 0.014 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.694 -0.387 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.340 1.982 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.806 1.162 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.542 2.261 -1.739 1.00 0.00 H new ATOM 777 N VAL A 53 -7.869 1.452 -3.256 1.00 0.00 N ATOM 778 CA VAL A 53 -9.098 1.951 -3.861 1.00 0.00 C ATOM 779 C VAL A 53 -10.093 0.819 -4.095 1.00 0.00 C ATOM 780 O VAL A 53 -11.305 1.012 -3.990 1.00 0.00 O ATOM 781 CB VAL A 53 -8.817 2.658 -5.200 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.113 3.149 -5.827 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.843 3.809 -5.000 1.00 0.00 C ATOM 0 H VAL A 53 -7.028 1.625 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.527 2.670 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.361 1.940 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.895 3.646 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.774 2.301 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.600 3.852 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.656 4.297 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.269 4.529 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.905 3.426 -4.598 1.00 0.00 H new ATOM 793 N LEU A 54 -9.573 -0.361 -4.413 1.00 0.00 N ATOM 794 CA LEU A 54 -10.416 -1.526 -4.662 1.00 0.00 C ATOM 795 C LEU A 54 -10.910 -2.131 -3.352 1.00 0.00 C ATOM 796 O LEU A 54 -12.008 -2.686 -3.286 1.00 0.00 O ATOM 797 CB LEU A 54 -9.645 -2.576 -5.464 1.00 0.00 C ATOM 798 CG LEU A 54 -10.434 -3.820 -5.873 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.514 -3.459 -6.880 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.502 -4.879 -6.444 1.00 0.00 C ATOM 0 H LEU A 54 -8.572 -0.537 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.282 -1.201 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.258 -2.103 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.784 -2.893 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.916 -4.230 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.065 -4.357 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.199 -2.736 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.054 -3.025 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.081 -5.757 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.991 -4.480 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.765 -5.159 -5.691 1.00 0.00 H new ATOM 812 N LEU A 55 -10.093 -2.019 -2.310 1.00 0.00 N ATOM 813 CA LEU A 55 -10.447 -2.553 -0.999 1.00 0.00 C ATOM 814 C LEU A 55 -11.014 -1.458 -0.100 1.00 0.00 C ATOM 815 O LEU A 55 -11.288 -1.688 1.078 1.00 0.00 O ATOM 816 CB LEU A 55 -9.224 -3.189 -0.338 1.00 0.00 C ATOM 817 CG LEU A 55 -8.366 -4.084 -1.234 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.059 -4.437 -0.542 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.128 -5.345 -1.615 1.00 0.00 C ATOM 0 H LEU A 55 -9.181 -1.563 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.213 -3.315 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.593 -2.392 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.562 -3.779 0.514 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.133 -3.535 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.462 -5.074 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.506 -3.524 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.271 -4.966 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.502 -5.970 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.392 -5.897 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.036 -5.073 -2.153 1.00 0.00 H new ATOM 831 N HIS A 56 -11.188 -0.267 -0.665 1.00 0.00 N ATOM 832 CA HIS A 56 -11.725 0.863 0.086 1.00 0.00 C ATOM 833 C HIS A 56 -13.030 0.484 0.780 1.00 0.00 C ATOM 834 O HIS A 56 -13.856 -0.254 0.242 1.00 0.00 O ATOM 835 CB HIS A 56 -11.956 2.055 -0.843 1.00 0.00 C ATOM 836 CG HIS A 56 -11.742 3.381 -0.180 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.740 4.323 -0.042 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.637 3.920 0.386 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.258 5.384 0.579 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.984 5.165 0.850 1.00 0.00 N ATOM 0 H HIS A 56 -10.965 -0.060 -1.639 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.996 1.140 0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.286 1.973 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.974 2.012 -1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.664 3.457 0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.811 6.279 0.824 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.359 5.815 1.327 1.00 0.00 H new ATOM 848 N PRO A 57 -13.221 0.999 2.003 1.00 0.00 N ATOM 849 CA PRO A 57 -14.423 0.727 2.797 1.00 0.00 C ATOM 850 C PRO A 57 -15.665 1.395 2.216 1.00 0.00 C ATOM 851 O PRO A 57 -16.747 0.809 2.204 1.00 0.00 O ATOM 852 CB PRO A 57 -14.086 1.325 4.166 1.00 0.00 C ATOM 853 CG PRO A 57 -13.076 2.382 3.880 1.00 0.00 C ATOM 854 CD PRO A 57 -12.278 1.885 2.706 1.00 0.00 C ATOM 0 HA PRO A 57 -14.660 -0.337 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.972 1.743 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.687 0.568 4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.559 3.331 3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.434 2.553 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.947 2.705 2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.385 1.348 3.026 1.00 0.00 H new ATOM 862 N ASP A 58 -15.500 2.622 1.735 1.00 0.00 N ATOM 863 CA ASP A 58 -16.608 3.368 1.150 1.00 0.00 C ATOM 864 C ASP A 58 -16.910 2.876 -0.262 1.00 0.00 C ATOM 865 O ASP A 58 -17.874 3.313 -0.892 1.00 0.00 O ATOM 866 CB ASP A 58 -16.287 4.863 1.124 1.00 0.00 C ATOM 867 CG ASP A 58 -16.405 5.505 2.493 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.943 4.891 3.477 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.960 6.620 2.580 1.00 0.00 O ATOM 0 H ASP A 58 -14.610 3.121 1.739 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.490 3.204 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.276 5.008 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.963 5.365 0.431 1.00 0.00 H new ATOM 874 N LYS A 59 -16.079 1.964 -0.756 1.00 0.00 N ATOM 875 CA LYS A 59 -16.255 1.411 -2.093 1.00 0.00 C ATOM 876 C LYS A 59 -16.502 -0.093 -2.032 1.00 0.00 C ATOM 877 O LYS A 59 -17.120 -0.667 -2.929 1.00 0.00 O ATOM 878 CB LYS A 59 -15.024 1.702 -2.954 1.00 0.00 C ATOM 879 CG LYS A 59 -14.666 3.177 -3.025 1.00 0.00 C ATOM 880 CD LYS A 59 -13.639 3.449 -4.111 1.00 0.00 C ATOM 881 CE LYS A 59 -13.395 4.941 -4.286 1.00 0.00 C ATOM 882 NZ LYS A 59 -12.940 5.270 -5.665 1.00 0.00 N ATOM 0 H LYS A 59 -15.276 1.592 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.126 1.886 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.173 1.149 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.201 1.331 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.565 3.762 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.274 3.504 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.702 2.953 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.983 3.022 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.312 5.487 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.646 5.273 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.272 6.066 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.470 4.442 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.760 5.532 -6.248 1.00 0.00 H new ATOM 896 N CYS A 60 -16.016 -0.724 -0.969 1.00 0.00 N ATOM 897 CA CYS A 60 -16.185 -2.162 -0.791 1.00 0.00 C ATOM 898 C CYS A 60 -16.810 -2.472 0.565 1.00 0.00 C ATOM 899 O CYS A 60 -16.134 -2.440 1.594 1.00 0.00 O ATOM 900 CB CYS A 60 -14.838 -2.875 -0.921 1.00 0.00 C ATOM 901 SG CYS A 60 -14.953 -4.560 -1.565 1.00 0.00 S ATOM 0 H CYS A 60 -15.502 -0.263 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.855 -2.524 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.192 -2.291 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.358 -2.904 0.057 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.801 -5.151 -1.443 1.00 0.00 H new ATOM 907 N VAL A 61 -18.105 -2.772 0.560 1.00 0.00 N ATOM 908 CA VAL A 61 -18.822 -3.088 1.789 1.00 0.00 C ATOM 909 C VAL A 61 -18.733 -4.575 2.111 1.00 0.00 C ATOM 910 O VAL A 61 -19.496 -5.091 2.928 1.00 0.00 O ATOM 911 CB VAL A 61 -20.304 -2.682 1.695 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.433 -1.202 1.368 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.023 -3.530 0.656 1.00 0.00 C ATOM 0 H VAL A 61 -18.679 -2.803 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.347 -2.518 2.587 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.773 -2.858 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.488 -0.934 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.955 -0.613 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.949 -0.997 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.070 -3.230 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.554 -3.387 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.961 -4.581 0.938 1.00 0.00 H new ATOM 923 N ALA A 62 -17.796 -5.260 1.463 1.00 0.00 N ATOM 924 CA ALA A 62 -17.606 -6.689 1.682 1.00 0.00 C ATOM 925 C ALA A 62 -17.190 -6.973 3.121 1.00 0.00 C ATOM 926 O ALA A 62 -16.598 -6.133 3.800 1.00 0.00 O ATOM 927 CB ALA A 62 -16.569 -7.237 0.713 1.00 0.00 C ATOM 0 H ALA A 62 -17.157 -4.849 0.783 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.557 -7.189 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.437 -8.305 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.906 -7.075 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.620 -6.724 0.867 1.00 0.00 H new ATOM 933 N PRO A 63 -17.508 -8.185 3.601 1.00 0.00 N ATOM 934 CA PRO A 63 -17.177 -8.607 4.966 1.00 0.00 C ATOM 935 C PRO A 63 -15.679 -8.814 5.161 1.00 0.00 C ATOM 936 O PRO A 63 -15.172 -8.730 6.279 1.00 0.00 O ATOM 937 CB PRO A 63 -17.925 -9.934 5.117 1.00 0.00 C ATOM 938 CG PRO A 63 -18.069 -10.448 3.726 1.00 0.00 C ATOM 939 CD PRO A 63 -18.214 -9.235 2.849 1.00 0.00 C ATOM 0 HA PRO A 63 -17.458 -7.857 5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.369 -10.633 5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.897 -9.789 5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.199 -11.038 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.939 -11.099 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.769 -9.394 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.261 -8.979 2.687 1.00 0.00 H new ATOM 947 N GLY A 64 -14.976 -9.085 4.066 1.00 0.00 N ATOM 948 CA GLY A 64 -13.542 -9.300 4.139 1.00 0.00 C ATOM 949 C GLY A 64 -12.751 -8.096 3.667 1.00 0.00 C ATOM 950 O GLY A 64 -11.622 -7.876 4.104 1.00 0.00 O ATOM 0 H GLY A 64 -15.373 -9.160 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.264 -9.533 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.276 -10.166 3.533 1.00 0.00 H new ATOM 954 N SER A 65 -13.344 -7.315 2.769 1.00 0.00 N ATOM 955 CA SER A 65 -12.685 -6.130 2.233 1.00 0.00 C ATOM 956 C SER A 65 -11.966 -5.361 3.337 1.00 0.00 C ATOM 957 O SER A 65 -10.889 -4.806 3.121 1.00 0.00 O ATOM 958 CB SER A 65 -13.705 -5.221 1.544 1.00 0.00 C ATOM 959 OG SER A 65 -14.734 -4.838 2.440 1.00 0.00 O ATOM 0 H SER A 65 -14.279 -7.482 2.398 1.00 0.00 H new ATOM 0 HA SER A 65 -11.946 -6.456 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.204 -4.333 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.138 -5.738 0.688 1.00 0.00 H new ATOM 0 HG SER A 65 -15.129 -5.638 2.845 1.00 0.00 H new ATOM 965 N GLU A 66 -12.570 -5.335 4.521 1.00 0.00 N ATOM 966 CA GLU A 66 -11.988 -4.634 5.660 1.00 0.00 C ATOM 967 C GLU A 66 -10.604 -5.186 5.989 1.00 0.00 C ATOM 968 O GLU A 66 -9.641 -4.432 6.132 1.00 0.00 O ATOM 969 CB GLU A 66 -12.901 -4.753 6.882 1.00 0.00 C ATOM 970 CG GLU A 66 -12.274 -4.229 8.163 1.00 0.00 C ATOM 971 CD GLU A 66 -12.814 -4.919 9.401 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.040 -5.153 9.462 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.013 -5.224 10.308 1.00 0.00 O ATOM 0 H GLU A 66 -13.461 -5.791 4.716 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.887 -3.582 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.825 -4.207 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.172 -5.799 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.194 -4.366 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.456 -3.157 8.240 1.00 0.00 H new ATOM 980 N ASP A 67 -10.513 -6.506 6.108 1.00 0.00 N ATOM 981 CA ASP A 67 -9.248 -7.161 6.420 1.00 0.00 C ATOM 982 C ASP A 67 -8.218 -6.902 5.324 1.00 0.00 C ATOM 983 O ASP A 67 -7.051 -6.633 5.607 1.00 0.00 O ATOM 984 CB ASP A 67 -9.458 -8.665 6.595 1.00 0.00 C ATOM 985 CG ASP A 67 -8.303 -9.330 7.319 1.00 0.00 C ATOM 986 OD1 ASP A 67 -7.186 -8.773 7.291 1.00 0.00 O ATOM 987 OD2 ASP A 67 -8.516 -10.408 7.912 1.00 0.00 O ATOM 0 H ASP A 67 -11.301 -7.144 5.993 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.871 -6.744 7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.380 -8.838 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.584 -9.128 5.616 1.00 0.00 H new ATOM 992 N ALA A 68 -8.658 -6.987 4.073 1.00 0.00 N ATOM 993 CA ALA A 68 -7.775 -6.762 2.936 1.00 0.00 C ATOM 994 C ALA A 68 -7.019 -5.446 3.080 1.00 0.00 C ATOM 995 O ALA A 68 -5.788 -5.422 3.080 1.00 0.00 O ATOM 996 CB ALA A 68 -8.571 -6.776 1.639 1.00 0.00 C ATOM 0 H ALA A 68 -9.621 -7.210 3.822 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.044 -7.570 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.899 -6.607 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.061 -7.743 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.324 -5.989 1.666 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.763 -4.351 3.202 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.163 -3.030 3.345 1.00 0.00 C ATOM 1004 C PHE A 69 -6.120 -3.025 4.460 1.00 0.00 C ATOM 1005 O PHE A 69 -5.019 -2.500 4.294 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.242 -1.985 3.635 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.741 -0.571 3.562 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.164 -0.085 2.400 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.847 0.273 4.656 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.703 1.216 2.329 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.388 1.575 4.591 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.814 2.047 3.426 1.00 0.00 C ATOM 0 H PHE A 69 -8.783 -4.353 3.205 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.668 -2.779 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.058 -2.110 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.654 -2.165 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.073 -0.731 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.293 -0.091 5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.256 1.582 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.478 2.223 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.453 3.064 3.374 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.476 -3.612 5.597 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.574 -3.677 6.740 1.00 0.00 C ATOM 1024 C LYS A 70 -4.268 -4.370 6.364 1.00 0.00 C ATOM 1025 O LYS A 70 -3.184 -3.828 6.575 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.241 -4.418 7.902 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.182 -3.548 8.718 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.311 -4.365 9.323 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.789 -5.379 10.329 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.496 -6.693 9.691 1.00 0.00 N ATOM 0 H LYS A 70 -7.384 -4.050 5.752 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.348 -2.657 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.796 -5.269 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.468 -4.818 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.624 -3.052 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.597 -2.765 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.022 -3.699 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.852 -4.882 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.884 -4.993 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.525 -5.516 11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.191 -7.371 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.353 -7.050 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.739 -6.576 8.987 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.380 -5.571 5.806 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.209 -6.336 5.397 1.00 0.00 C ATOM 1046 C ALA A 71 -2.294 -5.504 4.505 1.00 0.00 C ATOM 1047 O ALA A 71 -1.086 -5.431 4.735 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.634 -7.609 4.680 1.00 0.00 C ATOM 0 H ALA A 71 -5.270 -6.035 5.627 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.651 -6.606 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.749 -8.170 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.241 -8.218 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.217 -7.351 3.796 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.876 -4.879 3.487 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.112 -4.052 2.560 1.00 0.00 C ATOM 1056 C VAL A 72 -1.159 -3.127 3.308 1.00 0.00 C ATOM 1057 O VAL A 72 0.051 -3.146 3.077 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.040 -3.205 1.669 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.230 -2.217 0.843 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.880 -4.101 0.772 1.00 0.00 C ATOM 0 H VAL A 72 -3.874 -4.929 3.283 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.536 -4.730 1.930 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.715 -2.638 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.902 -1.627 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.677 -1.554 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.530 -2.761 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.530 -3.486 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.225 -4.696 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.488 -4.764 1.387 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.711 -2.316 4.205 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.910 -1.384 4.989 1.00 0.00 C ATOM 1072 C VAL A 73 0.257 -2.095 5.664 1.00 0.00 C ATOM 1073 O VAL A 73 1.416 -1.732 5.468 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.759 -0.679 6.063 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.890 0.226 6.923 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.889 0.109 5.417 1.00 0.00 C ATOM 0 H VAL A 73 -2.710 -2.286 4.407 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.524 -0.637 4.295 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.200 -1.439 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.508 0.715 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.121 -0.369 7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.418 0.981 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.479 0.601 6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.472 0.860 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.527 -0.569 4.850 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.058 -3.110 6.462 1.00 0.00 N ATOM 1087 CA ASN A 74 0.965 -3.873 7.168 1.00 0.00 C ATOM 1088 C ASN A 74 2.061 -4.330 6.210 1.00 0.00 C ATOM 1089 O ASN A 74 3.218 -4.481 6.601 1.00 0.00 O ATOM 1090 CB ASN A 74 0.340 -5.086 7.859 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.185 -4.756 9.243 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.523 -4.903 10.240 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.432 -4.306 9.311 1.00 0.00 N ATOM 0 H ASN A 74 -1.013 -3.423 6.636 1.00 0.00 H new ATOM 0 HA ASN A 74 1.412 -3.224 7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.476 -5.470 7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.083 -5.880 7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.839 -4.067 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.983 -4.200 8.459 1.00 0.00 H new ATOM 1100 N ALA A 75 1.688 -4.546 4.953 1.00 0.00 N ATOM 1101 CA ALA A 75 2.640 -4.983 3.938 1.00 0.00 C ATOM 1102 C ALA A 75 3.458 -3.808 3.412 1.00 0.00 C ATOM 1103 O ALA A 75 4.679 -3.772 3.565 1.00 0.00 O ATOM 1104 CB ALA A 75 1.912 -5.676 2.795 1.00 0.00 C ATOM 0 H ALA A 75 0.734 -4.426 4.613 1.00 0.00 H new ATOM 0 HA ALA A 75 3.327 -5.693 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.635 -5.997 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.377 -6.545 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.202 -4.983 2.342 1.00 0.00 H new ATOM 1110 N ARG A 76 2.778 -2.851 2.790 1.00 0.00 N ATOM 1111 CA ARG A 76 3.443 -1.676 2.239 1.00 0.00 C ATOM 1112 C ARG A 76 4.328 -1.010 3.289 1.00 0.00 C ATOM 1113 O ARG A 76 5.552 -0.981 3.157 1.00 0.00 O ATOM 1114 CB ARG A 76 2.409 -0.675 1.720 1.00 0.00 C ATOM 1115 CG ARG A 76 3.018 0.620 1.209 1.00 0.00 C ATOM 1116 CD ARG A 76 2.082 1.799 1.424 1.00 0.00 C ATOM 1117 NE ARG A 76 2.704 3.067 1.054 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.316 4.244 1.533 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.313 4.314 2.397 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.933 5.354 1.148 1.00 0.00 N ATOM 0 H ARG A 76 1.767 -2.866 2.655 1.00 0.00 H new ATOM 0 HA ARG A 76 4.072 -2.001 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.837 -1.140 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.705 -0.445 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.962 0.806 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.244 0.523 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.176 1.654 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.780 1.835 2.471 1.00 0.00 H new ATOM 0 HE ARG A 76 3.479 3.048 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.837 3.463 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.017 5.219 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.706 5.304 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.635 6.257 1.516 1.00 0.00 H new ATOM 1134 N THR A 77 3.701 -0.475 4.332 1.00 0.00 N ATOM 1135 CA THR A 77 4.430 0.192 5.403 1.00 0.00 C ATOM 1136 C THR A 77 5.702 -0.570 5.759 1.00 0.00 C ATOM 1137 O THR A 77 6.793 -0.002 5.773 1.00 0.00 O ATOM 1138 CB THR A 77 3.562 0.339 6.667 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.343 1.019 6.348 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.308 1.105 7.749 1.00 0.00 C ATOM 0 H THR A 77 2.689 -0.491 4.458 1.00 0.00 H new ATOM 0 HA THR A 77 4.694 1.184 5.036 1.00 0.00 H new ATOM 0 HB THR A 77 3.333 -0.659 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.697 0.379 5.982 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.675 1.196 8.632 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.221 0.569 8.010 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.563 2.099 7.381 1.00 0.00 H new ATOM 1148 N ALA A 78 5.553 -1.859 6.045 1.00 0.00 N ATOM 1149 CA ALA A 78 6.691 -2.699 6.399 1.00 0.00 C ATOM 1150 C ALA A 78 7.741 -2.694 5.293 1.00 0.00 C ATOM 1151 O ALA A 78 8.927 -2.484 5.550 1.00 0.00 O ATOM 1152 CB ALA A 78 6.229 -4.120 6.684 1.00 0.00 C ATOM 0 H ALA A 78 4.656 -2.344 6.039 1.00 0.00 H new ATOM 0 HA ALA A 78 7.148 -2.290 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.089 -4.736 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.521 -4.113 7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.746 -4.530 5.797 1.00 0.00 H new ATOM 1158 N LEU A 79 7.299 -2.928 4.063 1.00 0.00 N ATOM 1159 CA LEU A 79 8.201 -2.952 2.917 1.00 0.00 C ATOM 1160 C LEU A 79 9.017 -1.665 2.839 1.00 0.00 C ATOM 1161 O LEU A 79 10.248 -1.695 2.851 1.00 0.00 O ATOM 1162 CB LEU A 79 7.409 -3.146 1.622 1.00 0.00 C ATOM 1163 CG LEU A 79 6.794 -4.530 1.413 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.981 -4.564 0.129 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.878 -5.597 1.389 1.00 0.00 C ATOM 0 H LEU A 79 6.321 -3.104 3.833 1.00 0.00 H new ATOM 0 HA LEU A 79 8.887 -3.789 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.608 -2.407 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.068 -2.933 0.781 1.00 0.00 H new ATOM 0 HG LEU A 79 6.125 -4.739 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.551 -5.557 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.180 -3.826 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.628 -4.333 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.422 -6.576 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.572 -5.392 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.417 -5.589 2.336 1.00 0.00 H new ATOM 1177 N LEU A 80 8.322 -0.535 2.762 1.00 0.00 N ATOM 1178 CA LEU A 80 8.982 0.765 2.685 1.00 0.00 C ATOM 1179 C LEU A 80 10.084 0.879 3.733 1.00 0.00 C ATOM 1180 O LEU A 80 11.217 1.247 3.421 1.00 0.00 O ATOM 1181 CB LEU A 80 7.962 1.888 2.877 1.00 0.00 C ATOM 1182 CG LEU A 80 6.719 1.826 1.987 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.738 2.925 2.363 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.108 1.934 0.520 1.00 0.00 C ATOM 0 H LEU A 80 7.303 -0.492 2.751 1.00 0.00 H new ATOM 0 HA LEU A 80 9.434 0.858 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.639 1.884 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.463 2.840 2.702 1.00 0.00 H new ATOM 0 HG LEU A 80 6.231 0.864 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.860 2.865 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.435 2.802 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.215 3.897 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.212 1.888 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.619 2.881 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.772 1.110 0.258 1.00 0.00 H new